| 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 | 37.2 | Very low | 44.1 | Very low | 241 Ų | 241 | 144.5 Ų | 144.5 | 100% | 1.187 | 86% | 0.863 | S | S | * | * | 0 | 115.3 | 0 | -72 | -170.6 | -174.1 | 0 | 0 | 107.3 | |||||
| 2 | A | 33.6 | Very low | 47.8 | Very low | 101 Ų | 101 | 143.5 Ų | 143.5 | 84% | 0.835 | 84% | 0.843 | S | S | * | * | trans | -71.1 | 126.7 | 174 | 0 | 0 | 0 | 0 | 0 | 108.4 | E4 | A2-E4 PolarHBondContact O-N 3.25Š| ||
| 3 | T | 38.2 | Very low | 51.4 | Low | 140 Ų | 140 | 135.4 Ų | 135.4 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -78.1 | 109.7 | 168.9 | 43.2 | 0 | 0 | 0 | 0 | 108 | G5 | T3-G5 PolarHBondContact O-N 3.26Š| ||
| 4 | E | 41.2 | Very low | 54.7 | Low | 190 Ų | 190 | 131.2 Ų | 131.2 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | trans | -60.8 | 115.3 | 170.4 | -74.2 | -164.2 | 149.9 | 0 | 0 | 109.9 | A2 G6 | A2-E4 PolarHBondContact O-N 3.25Å; E4-G6 VanDerWaalsContact C-N 3.32Å; E4-G6 PolarHBondContact O-N 3.15Å; E4-G6 VanDerWaalsContact O-N 3.08Å | ||
| 5 | G | 41.4 | Very low | 57.5 | Low | 82 Ų | 82 | 127.5 Ų | 127.5 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | trans | -78.5 | 78.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | T3 | T3-G5 PolarHBondContact O-N 3.26Š| ||
| 6 | G | 43.6 | Very low | 60 | Low | 82 Ų | 82 | 125.4 Ų | 125.4 | 85% | 0.845 | 72% | 0.722 | S | S | * | * | trans | -82 | 110.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E4 | E4-G6 VanDerWaalsContact C-N 3.32Å; E4-G6 PolarHBondContact O-N 3.15Å; E4-G6 VanDerWaalsContact O-N 3.08Å | ||
| 7 | G | 43 | Very low | 62.3 | Low | 79 Ų | 79 | 118.6 Ų | 118.6 | 81% | 0.814 | 68% | 0.682 | S | S | * | * | trans | 138.6 | 61.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 8 | K | 42.4 | Very low | 64.2 | Low | 196 Ų | 196 | 117.2 Ų | 117.2 | 85% | 0.852 | 68% | 0.676 | S | S | * | * | trans | -124.8 | 6.2 | 179 | -110.9 | -173.3 | -177.8 | -177.3 | 0 | 116.4 | ||||
| 9 | E | 46.1 | Very low | 65.9 | Low | 172 Ų | 172 | 111.7 Ų | 111.7 | 80% | 0.804 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -90.4 | -17.3 | -174.6 | -72.9 | -162 | 146.4 | 0 | 0 | 115.6 | N11 | E9-N11 PolarHBondContact O-N 3.27Š|
| 10 | M | 51.4 | Low | 67.3 | Low | 174 Ų | 174 | 113 Ų | 113 | 86% | 0.857 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 0.6 | -167.2 | -153.9 | 151 | 66.6 | 0 | 0 | 115.3 | ||
| 11 | N | 67.4 | Low | 68.5 | Low | 132 Ų | 132 | 110.7 Ų | 110.7 | 71% | 0.706 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | 5.4 | -174.2 | -145.3 | 13.9 | 0 | 0 | 0 | 115.2 | E9 | E9-N11 PolarHBondContact O-N 3.27Š|
| 12 | E | 88.4 | Confident | 71.3 | Confident | 133 Ų | 133 | 100.3 Ų | 100.3 | 62% | 0.621 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -90.2 | 134.7 | 179.1 | -165 | 178.1 | -162.8 | 0 | 0 | 111.3 | K14 | E12-K14 PolarHBondContact O-N 3Š|
| 13 | I | 94.6 | Very high | 74.4 | Confident | 38 Ų | 38 | 99.1 Ų | 99.1 | 20% | 0.195 | 56% | 0.556 | C | S | . | * | P | Polyproline II helix | trans | -64.3 | 127.3 | 173.7 | -70.4 | 177.9 | 0 | 0 | 0 | 109.4 | I562 H564 | I13-I562 WeakPolarHBondContact CG2-O 3.34Å; I13-H564 HydrophobicContact CD1-CB 4.34Å; I13-H564 WeakPolarHBondContact CD1-CD2 3.43Å; I13-H564 VanDerWaalsContact CD1-CE1 3.44Å; I13-H564 WeakPolarHBondContact CD1-CE1 3.18Å; I13-H564 WeakPolarHBondContact CD1-NE2 3.42Å |
| 14 | K | 97.2 | Very high | 77.2 | Confident | 77 Ų | 77 | 92.5 Ų | 92.5 | 34% | 0.335 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 139.3 | 174.8 | -57.9 | -56.6 | 179.3 | -171.1 | 0 | 109.6 | E12 K560 K561 W589 | E12-K14 PolarHBondContact O-N 3Å; K14-K560 HydrophobicContact CB-CB 4.43Å; K14-K560 HydrophobicContact CG-CB 4.48Å; K14-K560 HydrophobicContact CG-CD 4.28Å; K14-K561 PolarHBondContact N-O 2.87Å; K14-W589 VanDerWaalsContact O-CH2 3.3Å; K14-W589 WeakPolarHBondContact O-CH2 3.24Å |
| 15 | T | 97.3 | Very high | 79.9 | Confident | 76 Ų | 76 | 88.7 Ų | 88.7 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -110.5 | 2.1 | -179.5 | 56.1 | 0 | 0 | 0 | 0 | 112.7 | L26 | T15-L26 HydrophobicContact CG2-CD2 4.06Å; T15-L26 WeakPolarHBondContact O-CB 3.4Å; T15-L26 PolarHBondContact O-N 3.15Å |
| 16 | Q | 97.4 | Very high | 82.7 | Confident | 94 Ų | 94 | 86.3 Ų | 86.3 | 44% | 0.439 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 157.7 | 176.4 | 59.4 | -177.5 | 58.7 | 0 | 0 | 110.5 | L23 Y24 | Q16-L23 HydrophobicContact CB-CD1 4.06Å; Q16-L23 HydrophobicContact CG-CD1 4.38Å; Q16-Y24 WeakPolarHBondContact CA-O 3.45Å; Q16-Y24 VanDerWaalsContact CB-O 3.26Å; Q16-Y24 WeakPolarHBondContact CB-O 3.46Å |
| 17 | F | 98 | Very high | 85.2 | Confident | 9 Ų | 9 | 82.8 Ų | 82.8 | 4% | 0.039 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 157.6 | 171.9 | 55.2 | -92.9 | 0 | 0 | 0 | 110.1 | T19 Y24 L409 L411 I558 K560 I577 W589 | F17-T19 HydrophobicContact CD2-CG2 4.31Å; F17-Y24 HydrophobicContact CD2-CD2 4.18Å; F17-Y24 HydrophobicContact CD2-CG 4.13Å; F17-Y24 VanDerWaalsContact CE2-CB 3.46Å; F17-Y24 AromaticContact CE2-CD1 3.99Å; F17-Y24 HydrophobicContact CE2-CD1 3.99Å; F17-Y24 AromaticContact CE2-CD2 3.77Å; F17-Y24 HydrophobicContact CE2-CD2 3.77Å; F17-Y24 AromaticContact CE2-CG 3.46Å; F17-Y24 HydrophobicContact CE2-CG 3.46Å; F17-Y24 VanDerWaalsContact CE2-CG 3.46Å; F17-Y24 HydrophobicContact CZ-CD1 4.06Å; F17-Y24 AromaticContact CZ-CG 3.84Å; F17-Y24 HydrophobicContact CZ-CG 3.84Å; F17-Y24 PolarHBondContact N-O 3.09Å; F17-Y24 PolarHBondContact O-N 3.36Å; F17-L409 HydrophobicContact CE1-CD2 3.8Å; F17-L409 HydrophobicContact CZ-CD2 3.86Å; F17-L411 HydrophobicContact CE2-CD1 3.81Å; F17-L411 HydrophobicContact CZ-CD1 4.48Å; F17-I558 HydrophobicContact CD2-CD1 4.27Å; F17-I558 HydrophobicContact CD2-CG1 4.21Å; F17-I558 HydrophobicContact CG-CD1 4.33Å; F17-K560 HydrophobicContact CB-CG 4.25Å; F17-I577 HydrophobicContact CZ-CD1 4.21Å; F17-W589 HydrophobicContact CD1-CE3 4.1Å; F17-W589 AromaticContact CD1-CZ3 3.94Å; F17-W589 HydrophobicContact CD1-CZ3 3.94Å; F17-W589 HydrophobicContact CE1-CD2 4.21Å; F17-W589 AromaticContact CE1-CE3 3.58Å; F17-W589 HydrophobicContact CE1-CE3 3.58Å; F17-W589 AromaticContact CE1-CZ3 3.81Å; F17-W589 HydrophobicContact CE1-CZ3 3.81Å |
| 18 | T | 97.5 | Very high | 87.8 | Confident | 93 Ų | 93 | 83.3 Ų | 83.3 | 57% | 0.571 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 136.7 | -177 | -54 | 0 | 0 | 0 | 0 | 109.5 | G22 L23 | T18-G22 WeakPolarHBondContact CA-O 3.45Å; T18-L23 WeakPolarHBondContact OG1-CD1 3.43Å |
| 19 | T | 96.7 | Very high | 90.4 | Very high | 13 Ų | 13 | 78.6 Ų | 78.6 | 8% | 0.08 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | -176.2 | 169.6 | 62.5 | 0 | 0 | 0 | 0 | 109.1 | F17 E21 G22 Y24 L411 L557 I558 | F17-T19 HydrophobicContact CD2-CG2 4.31Å; T19-E21 VanDerWaalsContact CB-OE2 3.25Å; T19-E21 WeakPolarHBondContact CB-OE2 3.29Å; T19-E21 PolarHBondContact O-N 3.41Å; T19-E21 PolarHBondContact OG1-OE2 3.32Å; T19-G22 PolarHBondContact N-O 3.08Å; T19-G22 PolarHBondContact O-N 3.5Å; T19-Y24 HydrophobicContact CG2-CE2 4.32Å; T19-Y24 WeakPolarHBondContact OG1-CE2 3.46Å; T19-L411 HydrophobicContact CG2-CD1 4.01Å; T19-L557 HydrophobicContact CG2-CD2 3.69Å; T19-L557 HydrophobicContact CG2-CG 4.35Å; T19-I558 HydrophobicContact CG2-CG2 4.2Å |
| 20 | R | 93.5 | Very high | 92.9 | Very high | 138 Ų | 138 | 70.4 Ų | 70.4 | 52% | 0.521 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.7 | 178 | 67.7 | -175.3 | -177.4 | -168 | 0.3 | 113.7 | G22 R399 D413 | R20-G22 VanDerWaalsContact C-N 3.33Å; R20-R399 VanDerWaalsContact NE-NH2 3.17Å; R20-D413 IonicContact CZ-OD2 3.38Å; R20-D413 IonicContact NE-OD2 3.36Å; R20-D413 IonicContact NH1-OD2 3.04Å; R20-D413 PolarHBondContact NH1-OD2 3.31Å; R20-D413 IonicContact NH2-OD2 2.86Å |
| 21 | E | 93.2 | Very high | 95.1 | Very high | 64 Ų | 64 | 63.9 Ų | 63.9 | 30% | 0.299 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -16.9 | 177.8 | -57 | 74.1 | -162.1 | 0 | 0 | 112.7 | T19 T347 R399 P592 | T19-E21 VanDerWaalsContact CB-OE2 3.25Å; T19-E21 WeakPolarHBondContact CB-OE2 3.29Å; T19-E21 PolarHBondContact O-N 3.41Å; T19-E21 PolarHBondContact OG1-OE2 3.32Å; E21-T347 HydrophobicContact CG-CG2 4.29Å; E21-R399 IonicContact OE1-CZ 2.97Å; E21-R399 VanDerWaalsContact OE1-CZ 3.22Å; E21-R399 IonicContact OE1-NH1 3.44Å; E21-R399 PolarHBondContact OE1-NH1 3.36Å; E21-R399 IonicContact OE1-NH2 2.66Å; E21-R399 PolarHBondContact OE1-NH2 3.03Å; E21-R399 IonicContact OE2-CZ 2.75Å; E21-R399 IonicContact OE2-NH1 3.3Å; E21-R399 PolarHBondContact OE2-NH1 3.2Å; E21-R399 IonicContact OE2-NH2 2.78Å; E21-P592 HydrophobicContact CB-CG 4.24Å; E21-P592 WeakPolarHBondContact O-CB 3.5Å |
| 22 | G | 96.3 | Very high | 96.6 | Very high | 23 Ų | 23 | 57.6 Ų | 57.6 | 24% | 0.237 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 126 | -156.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T18 T19 R20 P592 | T18-G22 WeakPolarHBondContact CA-O 3.45Å; T19-G22 PolarHBondContact N-O 3.08Å; T19-G22 PolarHBondContact O-N 3.5Å; R20-G22 VanDerWaalsContact C-N 3.33Å; G22-P592 VanDerWaalsContact C-CG 3.44Å |
| 23 | L | 97.3 | Very high | 97.1 | Very high | 76 Ų | 76 | 51.4 Ų | 51.4 | 40% | 0.398 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 121.5 | -175.5 | -175.7 | 69.5 | 0 | 0 | 0 | 112.1 | Q16 T18 | Q16-L23 HydrophobicContact CB-CD1 4.06Å; Q16-L23 HydrophobicContact CG-CD1 4.38Å; T18-L23 WeakPolarHBondContact OG1-CD1 3.43Å |
| 24 | Y | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 132.9 | 166 | -69.8 | -109.3 | 0 | 0 | 0 | 108.9 | Q16 F17 T19 I577 G590 R591 P592 | Q16-Y24 WeakPolarHBondContact CA-O 3.45Å; Q16-Y24 VanDerWaalsContact CB-O 3.26Å; Q16-Y24 WeakPolarHBondContact CB-O 3.46Å; F17-Y24 HydrophobicContact CD2-CD2 4.18Å; F17-Y24 HydrophobicContact CD2-CG 4.13Å; F17-Y24 VanDerWaalsContact CE2-CB 3.46Å; F17-Y24 AromaticContact CE2-CD1 3.99Å; F17-Y24 HydrophobicContact CE2-CD1 3.99Å; F17-Y24 AromaticContact CE2-CD2 3.77Å; F17-Y24 HydrophobicContact CE2-CD2 3.77Å; F17-Y24 AromaticContact CE2-CG 3.46Å; F17-Y24 HydrophobicContact CE2-CG 3.46Å; F17-Y24 VanDerWaalsContact CE2-CG 3.46Å; F17-Y24 HydrophobicContact CZ-CD1 4.06Å; F17-Y24 AromaticContact CZ-CG 3.84Å; F17-Y24 HydrophobicContact CZ-CG 3.84Å; F17-Y24 PolarHBondContact N-O 3.09Å; F17-Y24 PolarHBondContact O-N 3.36Å; T19-Y24 HydrophobicContact CG2-CE2 4.32Å; T19-Y24 WeakPolarHBondContact OG1-CE2 3.46Å; Y24-I577 HydrophobicContact CD1-CD1 3.67Å; Y24-I577 HydrophobicContact CD1-CG1 4.27Å; Y24-I577 HydrophobicContact CE1-CD1 3.54Å; Y24-I577 HydrophobicContact CE1-CG1 4.12Å; Y24-G590 WeakPolarHBondContact CA-O 3.42Å; Y24-R591 HydrophobicContact CD1-CG 4.32Å; Y24-R591 HydrophobicContact CE1-CB 4.35Å; Y24-R591 HydrophobicContact CE1-CG 3.74Å; Y24-P592 HydrophobicContact CD2-CG 3.8Å; Y24-P592 VanDerWaalsContact CE2-CD 3.42Å; Y24-P592 HydrophobicContact CE2-CG 3.55Å; Y24-P592 HydrophobicContact CG-CG 4.5Å |
| 25 | K | 97.9 | Very high | 97.1 | Very high | 110 Ų | 110 | 50 Ų | 50 | 48% | 0.478 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 130 | -175 | -167.5 | 176.4 | -177.7 | 177.4 | 0 | 111.5 | L27 W589 G590 | K25-L27 PolarHBondContact O-N 2.87Å; K25-W589 CarbonylContact O-C 3.55Å; K25-W589 WeakPolarHBondContact O-CA 3.16Å; K25-G590 PolarHBondContact N-O 3.37Å; K25-G590 PolarHBondContact O-N 3.49Å |
| 26 | L | 98.3 | Very high | 96.9 | Very high | 31 Ų | 31 | 51.1 Ų | 51.1 | 16% | 0.162 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 133.7 | 168.7 | 179.9 | 63.6 | 0 | 0 | 0 | 109.3 | T15 P28 C587 W589 | T15-L26 HydrophobicContact CG2-CD2 4.06Å; T15-L26 WeakPolarHBondContact O-CB 3.4Å; T15-L26 PolarHBondContact O-N 3.15Å; L26-P28 VanDerWaalsContact O-CD 3.31Å; L26-P28 WeakPolarHBondContact O-CD 3.44Å; L26-C587 HydrophobicContact CD1-CB 3.67Å; L26-W589 HydrophobicContact CB-CD2 4.24Å; L26-W589 HydrophobicContact CB-CE3 3.92Å; L26-W589 HydrophobicContact CB-CH2 4.17Å; L26-W589 HydrophobicContact CB-CZ2 4.46Å; L26-W589 HydrophobicContact CB-CZ3 3.9Å; L26-W589 HydrophobicContact CD1-CD2 4.21Å; L26-W589 HydrophobicContact CD1-CZ2 4.08Å |
| 27 | L | 98.1 | Very high | 96.8 | Very high | 8 Ų | 8 | 52.5 Ų | 52.5 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | trans | -113.3 | 89.5 | 179.9 | -56.8 | 179.5 | 0 | 0 | 0 | 109.9 | K25 H29 S30 V81 T588 V595 | K25-L27 PolarHBondContact O-N 2.87Å; L27-H29 PolarHBondContact O-N 2.91Å; L27-H29 VanDerWaalsContact O-N 3.15Å; L27-S30 WeakPolarHBondContact O-CB 3.34Å; L27-S30 PolarHBondContact O-N 3.45Å; L27-V81 HydrophobicContact CD1-CB 3.57Å; L27-V81 HydrophobicContact CD1-CG1 3.7Å; L27-T588 PolarHBondContact N-O 3.3Å; L27-V595 HydrophobicContact CD1-CG1 4.46Å; L27-V595 HydrophobicContact CD1-CG2 4.09Å; L27-V595 HydrophobicContact CD2-CG1 3.96Å; L27-V595 HydrophobicContact CD2-CG2 4.39Å | ||
| 28 | P | 96.4 | Very high | 96.6 | Very high | 90 Ų | 90 | 55.9 Ų | 55.9 | 58% | 0.584 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -60.4 | -27.8 | -176.8 | -25.2 | 34.3 | 0 | 0 | 0 | 113.9 | L26 S30 E31 | L26-P28 VanDerWaalsContact O-CD 3.31Å; L26-P28 WeakPolarHBondContact O-CD 3.44Å; P28-S30 PolarHBondContact O-N 2.59Å; P28-E31 WeakPolarHBondContact O-CB 3.12Å; P28-E31 PolarHBondContact O-N 3.02Å |
| 29 | H | 96.9 | Very high | 96.3 | Very high | 98 Ų | 98 | 54.4 Ų | 54.4 | 45% | 0.454 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -72 | -13.5 | 176.1 | 63.3 | 58.1 | 0 | 0 | 0 | 113.7 | L27 V81 K83 A84 | L27-H29 PolarHBondContact O-N 2.91Å; L27-H29 VanDerWaalsContact O-N 3.15Å; H29-V81 PolarHBondContact CE1-O 3.05Å; H29-V81 VanDerWaalsContact CE1-O 3.27Å; H29-K83 WeakPolarHBondContact O-CA 3.42Å; H29-A84 PolarHBondContact O-N 3.08Å |
| 30 | S | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -104.2 | 11.8 | 178.9 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | L27 P28 G80 V81 R82 T588 | L27-S30 WeakPolarHBondContact O-CB 3.34Å; L27-S30 PolarHBondContact O-N 3.45Å; P28-S30 PolarHBondContact O-N 2.59Å; S30-G80 WeakPolarHBondContact CB-O 3.36Å; S30-G80 PolarHBondContact OG-O 2.7Å; S30-V81 PolarHBondContact OG-O 2.94Å; S30-R82 PolarHBondContact OG-O 3.29Å; S30-T588 PolarHBondContact O-OG1 2.98Å; S30-T588 VanDerWaalsContact O-OG1 3.06Å |
| 31 | E | 98.2 | Very high | 95.5 | Very high | 36 Ų | 36 | 55.1 Ų | 55.1 | 17% | 0.168 | 29% | 0.288 | C | S | . | . | trans | -75.8 | 138.4 | 177.9 | -174.7 | -164.9 | 83.6 | 0 | 0 | 111.5 | P28 R37 A84 I586 | P28-E31 WeakPolarHBondContact O-CB 3.12Å; P28-E31 PolarHBondContact O-N 3.02Å; E31-R37 IonicContact OE1-CZ 2.75Å; E31-R37 IonicContact OE1-NH1 3.64Å; E31-R37 PolarHBondContact OE1-NH1 3.43Å; E31-A84 WeakPolarHBondContact O-CB 3.49Å; E31-I586 WeakPolarHBondContact CA-O 3.47Å | ||
| 32 | Y | 98.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -111.2 | 144.3 | 167.4 | -67.5 | -102.2 | 0 | 0 | 0 | 110 | L65 Y76 I77 Y78 K79 A84 A85 L87 I586 | Y32-L65 HydrophobicContact CD1-CD2 3.58Å; Y32-L65 HydrophobicContact CD2-CD2 3.77Å; Y32-L65 HydrophobicContact CE1-CD2 4.17Å; Y32-L65 HydrophobicContact CE2-CD2 4.35Å; Y32-L65 HydrophobicContact CG-CD2 3.36Å; Y32-Y76 HydrophobicContact CD1-CD2 4.32Å; Y32-Y76 HydrophobicContact CD1-CG 4.26Å; Y32-Y76 HydrophobicContact CE1-CG 4.31Å; Y32-I77 PolarHBondContact OH-O 3.38Å; Y32-Y78 HydrophobicContact CD2-CD2 4.12Å; Y32-Y78 HydrophobicContact CD2-CE2 4.15Å; Y32-Y78 AromaticContact CE2-CD2 3.51Å; Y32-Y78 HydrophobicContact CE2-CD2 3.51Å; Y32-Y78 AromaticContact CE2-CE2 3.74Å; Y32-Y78 HydrophobicContact CE2-CE2 3.74Å; Y32-K79 PolarHBondContact OH-N 3.04Å; Y32-A84 HydrophobicContact CD2-CB 4.25Å; Y32-A84 HydrophobicContact CE1-CB 4.18Å; Y32-A84 HydrophobicContact CE2-CB 3.73Å; Y32-A84 WeakPolarHBondContact OH-CA 3.21Å; Y32-A85 HydrophobicContact CE1-CB 4.16Å; Y32-A85 PolarHBondContact OH-N 2.72Å; Y32-A85 VanDerWaalsContact OH-N 3.08Å; Y32-L87 HydrophobicContact CD1-CD2 3.66Å; Y32-L87 HydrophobicContact CE1-CD2 4.26Å; Y32-L87 HydrophobicContact CG-CD2 4.28Å; Y32-I586 PolarHBondContact N-O 3.39Å; Y32-I586 WeakPolarHBondContact O-CB 3.35Å; Y32-I586 VanDerWaalsContact O-CD1 3.24Å; Y32-I586 WeakPolarHBondContact O-CD1 3.5Å; Y32-I586 PolarHBondContact O-N 2.75Å |
| 33 | S | 98.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | trans | -164.4 | -174.3 | 175.9 | 57.6 | 0 | 0 | 0 | 0 | 109.4 | G584 | S33-G584 WeakPolarHBondContact CA-O 3.45Å; S33-G584 WeakPolarHBondContact CB-O 3.32Å | ||
| 34 | R | 97.3 | Very high | 91.5 | Very high | 34 Ų | 34 | 60.5 Ų | 60.5 | 13% | 0.128 | 33% | 0.33 | C | S | . | . | trans | -57.7 | 145.8 | 168.7 | -63.6 | -171.9 | -65.9 | 176.4 | -0.5 | 110 | N36 R37 V38 P39 V69 E72 Y74 | R34-N36 WeakPolarHBondContact CB-OD1 3.49Å; R34-N36 PolarHBondContact O-N 2.58Å; R34-N36 VanDerWaalsContact O-N 3.09Å; R34-R37 WeakPolarHBondContact O-CA 3.31Å; R34-R37 PolarHBondContact O-N 2.82Å; R34-V38 PolarHBondContact NH2-O 3.07Å; R34-P39 PolarHBondContact NH2-O 3.35Å; R34-V69 HydrophobicContact CG-CB 4.29Å; R34-V69 HydrophobicContact CG-CG1 4.32Å; R34-V69 HydrophobicContact CG-CG2 4.26Å; R34-E72 VanDerWaalsContact CD-OE2 3.24Å; R34-E72 WeakPolarHBondContact CD-OE2 3.4Å; R34-Y74 HydrophobicContact CG-CE2 4.01Å | ||
| 35 | P | 95.7 | Very high | 90.9 | Very high | 52 Ų | 52 | 61 Ų | 61 | 34% | 0.338 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -31.4 | -177.5 | -20.6 | 27.2 | 0 | 0 | 0 | 113.8 | R37 Y74 L87 | P35-R37 VanDerWaalsContact C-N 3.25Å; P35-R37 PolarHBondContact O-N 2.89Å; P35-Y74 WeakPolarHBondContact CD-OH 3.35Å; P35-Y74 HydrophobicContact CG-CE1 3.94Å; P35-L87 WeakPolarHBondContact CB-O 3.34Å; P35-L87 WeakPolarHBondContact CG-O 3.28Å |
| 36 | N | 93.7 | Very high | 90.7 | Very high | 98 Ų | 98 | 56.6 Ų | 56.6 | 52% | 0.524 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -9.8 | 177.8 | 65.1 | 8.7 | 0 | 0 | 0 | 113.9 | R34 V38 | R34-N36 WeakPolarHBondContact CB-OD1 3.49Å; R34-N36 PolarHBondContact O-N 2.58Å; R34-N36 VanDerWaalsContact O-N 3.09Å; N36-V38 HydrophobicContact CB-CG2 4.19Å; N36-V38 PolarHBondContact O-N 2.86Å; N36-V38 PolarHBondContact OD1-N 3.5Å |
| 37 | R | 93.8 | Very high | 90.6 | Very high | 124 Ų | 124 | 56.3 Ų | 56.3 | 47% | 0.468 | 32% | 0.315 | S | S | . | . | trans | 53.6 | 17.4 | -178.6 | -62.7 | -178.9 | 166.5 | -87 | -4.1 | 114.9 | E31 R34 P35 L87 | E31-R37 IonicContact OE1-CZ 2.75Å; E31-R37 IonicContact OE1-NH1 3.64Å; E31-R37 PolarHBondContact OE1-NH1 3.43Å; R34-R37 WeakPolarHBondContact O-CA 3.31Å; R34-R37 PolarHBondContact O-N 2.82Å; P35-R37 VanDerWaalsContact C-N 3.25Å; P35-R37 PolarHBondContact O-N 2.89Å; R37-L87 VanDerWaalsContact NH2-CD1 3.34Å | ||
| 38 | V | 93.7 | Very high | 90.6 | Very high | 79 Ų | 79 | 55.9 Ų | 55.9 | 48% | 0.479 | 31% | 0.313 | S | S | . | . | trans | -77.9 | 130.4 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 107.7 | R34 N36 F40 | R34-V38 PolarHBondContact NH2-O 3.07Å; N36-V38 HydrophobicContact CB-CG2 4.19Å; N36-V38 PolarHBondContact O-N 2.86Å; N36-V38 PolarHBondContact OD1-N 3.5Å; V38-F40 PolarHBondContact O-N 3.22Å | ||
| 39 | P | 92.4 | Very high | 90.7 | Very high | 62 Ų | 62 | 54.6 Ų | 54.6 | 40% | 0.403 | 30% | 0.297 | S | S | . | . | trans | -54.2 | 132.4 | 172.2 | -24.9 | 33.3 | 0 | 0 | 0 | 110.9 | R34 N41 E583 F585 | R34-P39 PolarHBondContact NH2-O 3.35Å; P39-N41 PolarHBondContact O-N 3.01Å; P39-E583 HydrophobicContact CB-CB 4.2Å; P39-E583 HydrophobicContact CB-CG 4.28Å; P39-F585 HydrophobicContact CB-CE2 4.06Å; P39-F585 HydrophobicContact CB-CZ 4.39Å; P39-F585 HydrophobicContact CG-CE2 3.97Å; P39-F585 HydrophobicContact CG-CZ 3.98Å | ||
| 40 | F | 91.3 | Very high | 90.8 | Very high | 34 Ų | 34 | 50.7 Ų | 50.7 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | trans | -77.7 | 111 | 175.1 | -179 | -111.3 | 0 | 0 | 0 | 110.1 | V38 S42 S45 V69 E583 | V38-F40 PolarHBondContact O-N 3.22Å; F40-S42 VanDerWaalsContact CZ-CB 3.48Å; F40-S45 WeakPolarHBondContact CE1-OG 3.44Å; F40-V69 HydrophobicContact CB-CG1 3.48Å; F40-V69 VanDerWaalsContact CB-CG1 3.48Å; F40-V69 HydrophobicContact CD1-CG1 3.8Å; F40-V69 HydrophobicContact CD2-CG1 3.76Å; F40-V69 HydrophobicContact CE1-CG1 4.44Å; F40-V69 HydrophobicContact CE2-CG1 4.43Å; F40-V69 HydrophobicContact CG-CG1 3.39Å; F40-E583 VanDerWaalsContact CB-O 3.24Å; F40-E583 WeakPolarHBondContact CB-O 3.39Å; F40-E583 PolarHBondContact N-O 3.34Å | ||
| 41 | N | 80.8 | Confident | 90.9 | Very high | 133 Ų | 133 | 51.2 Ų | 51.2 | 71% | 0.711 | 28% | 0.283 | S | S | * | . | trans | -107.5 | 104.8 | 175.2 | -169.8 | 3.7 | 0 | 0 | 0 | 109.7 | P39 | P39-N41 PolarHBondContact O-N 3.01Š| ||
| 42 | S | 71.7 | Confident | 90.9 | Very high | 53 Ų | 53 | 50.9 Ų | 50.9 | 37% | 0.371 | 28% | 0.281 | S | S | . | . | trans | -149.1 | 94.5 | 168.8 | -173.4 | 0 | 0 | 0 | 0 | 108.9 | F40 G44 S45 | F40-S42 VanDerWaalsContact CZ-CB 3.48Å; S42-G44 PolarHBondContact O-N 2.89Å; S42-S45 WeakPolarHBondContact O-CB 3.36Å; S42-S45 PolarHBondContact O-N 3.27Å; S42-S45 PolarHBondContact O-OG 2.97Å | ||
| 43 | Q | 64 | Low | 90.8 | Very high | 151 Ų | 151 | 51 Ų | 51 | 71% | 0.706 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 124.2 | 172.1 | -70.1 | -67.6 | -39.3 | 0 | 0 | 109.4 | S45 | Q43-S45 PolarHBondContact O-N 2.97Š|
| 44 | G | 68.4 | Low | 90.7 | Very high | 71 Ų | 71 | 54.1 Ų | 54.1 | 73% | 0.732 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 7.3 | -180 | 0 | 0 | 0 | 0 | 0 | 116.4 | S42 | S42-G44 PolarHBondContact O-N 2.89Š|
| 45 | S | 85 | Confident | 90.5 | Very high | 12 Ų | 12 | 52.7 Ų | 52.7 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 161.8 | 171.8 | 59.5 | 0 | 0 | 0 | 0 | 113 | F40 S42 Q43 R566 Q582 | F40-S45 WeakPolarHBondContact CE1-OG 3.44Å; S42-S45 WeakPolarHBondContact O-CB 3.36Å; S42-S45 PolarHBondContact O-N 3.27Å; S42-S45 PolarHBondContact O-OG 2.97Å; Q43-S45 PolarHBondContact O-N 2.97Å; S45-R566 PolarHBondContact O-NH2 3.38Å; S45-Q582 PolarHBondContact OG-NE2 3.16Å |
| 46 | N | 94.1 | Very high | 89.8 | Confident | 19 Ų | 19 | 56.6 Ų | 56.6 | 10% | 0.102 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -59 | 150.7 | 174.4 | -67.1 | -26.9 | 0 | 0 | 0 | 111.3 | Q100 P101 T102 Q582 | N46-Q100 VanDerWaalsContact ND2-CB 3.3Å; N46-Q100 WeakPolarHBondContact ND2-CB 3.37Å; N46-Q100 PolarHBondContact ND2-O 2.86Å; N46-P101 WeakPolarHBondContact CB-O 3.39Å; N46-P101 PolarHBondContact ND2-O 2.9Å; N46-T102 HydrophobicContact CB-CG2 4.31Å; N46-T102 VanDerWaalsContact ND2-CG2 3.31Å; N46-T102 WeakPolarHBondContact ND2-CG2 3.5Å; N46-Q582 PolarHBondContact O-NE2 3.42Å |
| 47 | P | 96.5 | Very high | 88.8 | Confident | 24 Ų | 24 | 54.5 Ų | 54.5 | 16% | 0.156 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 144.3 | 177.6 | 26.8 | -34.7 | 0 | 0 | 0 | 111.7 | N68 T568 | P47-N68 PolarHBondContact O-ND2 3.12Å; P47-T568 HydrophobicContact CB-CG2 4.01Å |
| 48 | V | 98.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 126.7 | 163.1 | 172.4 | 0 | 0 | 0 | 0 | 107.5 | N68 V69 T568 A580 | V48-N68 WeakPolarHBondContact CG1-O 3.41Å; V48-V69 HydrophobicContact CG2-CG2 4.37Å; V48-T568 VanDerWaalsContact O-CB 3.24Å; V48-T568 WeakPolarHBondContact O-CB 3.49Å; V48-T568 PolarHBondContact O-OG1 3.42Å; V48-A580 HydrophobicContact CG1-CB 4.39Å |
| 49 | R | 98.8 | Very high | 86.4 | Confident | 63 Ų | 63 | 57.7 Ų | 57.7 | 24% | 0.238 | 32% | 0.323 | C | S | . | . | trans | -123 | 157.3 | 176.7 | -62.4 | -61.6 | -172.4 | 80.4 | -4 | 109.6 | F67 N68 T102 H104 | R49-F67 VanDerWaalsContact O-CA 3.23Å; R49-F67 WeakPolarHBondContact O-CA 3.48Å; R49-F67 WeakPolarHBondContact O-CB 3.45Å; R49-N68 WeakPolarHBondContact CA-OD1 3.48Å; R49-N68 WeakPolarHBondContact CB-OD1 3.33Å; R49-N68 PolarHBondContact N-OD1 3.46Å; R49-N68 PolarHBondContact O-N 3.02Å; R49-N68 PolarHBondContact O-OD1 2.81Å; R49-T102 WeakPolarHBondContact CG-O 3.33Å; R49-H104 PolarHBondContact O-NE2 3.31Å | ||
| 50 | V | 98.9 | Very high | 85.4 | Confident | 15 Ų | 15 | 57.4 Ų | 57.4 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 135.7 | -176.6 | 171.6 | 0 | 0 | 0 | 0 | 108.6 | F52 L65 C66 F67 V569 I571 A580 I586 | V50-F52 HydrophobicContact CG1-CD2 4.12Å; V50-F52 HydrophobicContact CG1-CE2 3.57Å; V50-F52 HydrophobicContact CG1-CZ 3.93Å; V50-L65 HydrophobicContact CG1-CD1 3.39Å; V50-C66 CarbonylContact C-O 3.58Å; V50-C66 WeakPolarHBondContact CA-O 3.49Å; V50-F67 HydrophobicContact CG2-CB 3.95Å; V50-V569 HydrophobicContact CB-CG1 3.91Å; V50-V569 HydrophobicContact CB-CG2 4.06Å; V50-V569 HydrophobicContact CG2-CG1 4.19Å; V50-V569 HydrophobicContact CG2-CG2 3.91Å; V50-I571 HydrophobicContact CB-CD1 4.27Å; V50-I571 HydrophobicContact CG1-CD1 4.01Å; V50-A580 HydrophobicContact CG2-CB 4.34Å; V50-I586 HydrophobicContact CG2-CG1 3.76Å; V50-I586 HydrophobicContact CG2-CG2 4.22Å |
| 51 | S | 98.8 | Very high | 84.9 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 8% | 0.077 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.8 | 171.5 | -55.4 | 0 | 0 | 0 | 0 | 109.9 | C66 H104 | S51-C66 PolarHBondContact N-O 3.34Å; S51-C66 PolarHBondContact O-N 3.04Å; S51-H104 PolarHBondContact OG-CE1 3.19Å; S51-H104 PolarHBondContact OG-ND1 2.92Å; S51-H104 PolarHBondContact OG-O 3.27Å |
| 52 | F | 98.6 | Very high | 85.3 | Confident | 30 Ų | 30 | 52.2 Ų | 52.2 | 13% | 0.132 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 152.1 | 175.8 | -70.1 | -78.1 | 0 | 0 | 0 | 110.5 | V50 R64 L65 Y78 H108 I571 L573 V578 | V50-F52 HydrophobicContact CG1-CD2 4.12Å; V50-F52 HydrophobicContact CG1-CE2 3.57Å; V50-F52 HydrophobicContact CG1-CZ 3.93Å; F52-R64 VanDerWaalsContact CA-O 3.32Å; F52-R64 WeakPolarHBondContact CA-O 3.3Å; F52-R64 WeakPolarHBondContact CD1-O 3.45Å; F52-L65 HydrophobicContact CD1-CB 4.32Å; F52-L65 HydrophobicContact CD1-CD1 4.15Å; F52-L65 HydrophobicContact CE1-CB 4Å; F52-L65 HydrophobicContact CE1-CD1 3.48Å; F52-L65 VanDerWaalsContact CE1-CD1 3.48Å; F52-L65 HydrophobicContact CE1-CG 4.29Å; F52-L65 HydrophobicContact CE2-CD1 4.35Å; F52-L65 HydrophobicContact CZ-CD1 3.61Å; F52-Y78 HydrophobicContact CD1-CD1 4.05Å; F52-Y78 HydrophobicContact CD1-CG 4.12Å; F52-Y78 AromaticContact CE1-CD1 3.55Å; F52-Y78 HydrophobicContact CE1-CD1 3.55Å; F52-Y78 AromaticContact CE1-CD2 3.68Å; F52-Y78 HydrophobicContact CE1-CD2 3.68Å; F52-Y78 AromaticContact CE1-CE1 3.83Å; F52-Y78 HydrophobicContact CE1-CE1 3.83Å; F52-Y78 AromaticContact CE1-CE2 3.97Å; F52-Y78 HydrophobicContact CE1-CE2 3.97Å; F52-Y78 AromaticContact CE1-CG 3.47Å; F52-Y78 HydrophobicContact CE1-CG 3.47Å; F52-Y78 VanDerWaalsContact CE1-CG 3.47Å; F52-Y78 HydrophobicContact CZ-CD1 4.4Å; F52-Y78 HydrophobicContact CZ-CD2 4.34Å; F52-Y78 HydrophobicContact CZ-CE1 4.24Å; F52-Y78 HydrophobicContact CZ-CE2 4.2Å; F52-Y78 HydrophobicContact CZ-CG 4.45Å; F52-H108 PolarHBondContact O-CE1 3.08Å; F52-H108 PolarHBondContact O-NE2 2.9Å; F52-I571 HydrophobicContact CD2-CD1 3.86Å; F52-I571 HydrophobicContact CD2-CG2 4.29Å; F52-I571 HydrophobicContact CE2-CD1 3.78Å; F52-I571 HydrophobicContact CE2-CG2 4.38Å; F52-L573 HydrophobicContact CE2-CD1 4.25Å; F52-L573 HydrophobicContact CZ-CD1 4.25Å; F52-V578 HydrophobicContact CE2-CB 4.33Å; F52-V578 HydrophobicContact CE2-CG1 4.18Å; F52-V578 HydrophobicContact CE2-CG2 4.19Å; F52-V578 HydrophobicContact CZ-CB 4.45Å; F52-V578 HydrophobicContact CZ-CG1 4.11Å; F52-V578 HydrophobicContact CZ-CG2 4Å |
| 53 | V | 98 | Very high | 86.5 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 142.3 | 169.5 | 61.5 | 0 | 0 | 0 | 0 | 108.8 | L55 D63 R64 F106 A111 V116 | V53-L55 HydrophobicContact CG1-CD2 4.18Å; V53-L55 HydrophobicContact CG2-CD2 4.33Å; V53-D63 CarbonylContact O-C 3.6Å; V53-R64 HydrophobicContact CG1-CB 3.77Å; V53-R64 HydrophobicContact CG1-CG 4.36Å; V53-R64 PolarHBondContact N-O 3.46Å; V53-R64 VanDerWaalsContact N-O 3.16Å; V53-R64 PolarHBondContact O-N 2.81Å; V53-F106 HydrophobicContact CB-CB 3.76Å; V53-F106 HydrophobicContact CB-CD1 4.17Å; V53-F106 HydrophobicContact CB-CD2 3.7Å; V53-F106 HydrophobicContact CB-CE2 4.31Å; V53-F106 HydrophobicContact CB-CG 3.62Å; V53-F106 HydrophobicContact CG1-CB 4.29Å; V53-F106 HydrophobicContact CG1-CD1 3.73Å; V53-F106 HydrophobicContact CG1-CD2 3.69Å; V53-F106 HydrophobicContact CG1-CE1 3.85Å; V53-F106 HydrophobicContact CG1-CE2 3.82Å; V53-F106 HydrophobicContact CG1-CG 3.64Å; V53-F106 HydrophobicContact CG1-CZ 3.9Å; V53-F106 HydrophobicContact CG2-CB 4.06Å; V53-F106 HydrophobicContact CG2-CG 4.32Å; V53-A111 HydrophobicContact CG2-CB 3.57Å; V53-V116 HydrophobicContact CG1-CG2 4.09Å; V53-V116 HydrophobicContact CG2-CG2 4.26Å |
| 54 | N | 95.8 | Very high | 88.1 | Confident | 68 Ų | 68 | 46.6 Ų | 46.6 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 131.1 | 172 | -172.4 | -75.3 | 0 | 0 | 0 | 108.5 | N56 D63 | N54-N56 WeakPolarHBondContact OD1-CA 3.42Å; N54-N56 PolarHBondContact OD1-N 3.31Å; N54-N56 PolarHBondContact OD1-OD1 2.95Å; N54-D63 PolarHBondContact ND2-OD1 3.4Å |
| 55 | L | 93.1 | Very high | 89.6 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | trans | -93.3 | 11 | -176.8 | -55.8 | -174.3 | 0 | 0 | 0 | 114 | V53 D57 G62 R64 A111 T112 V116 I133 | V53-L55 HydrophobicContact CG1-CD2 4.18Å; V53-L55 HydrophobicContact CG2-CD2 4.33Å; L55-D57 PolarHBondContact O-N 3.27Å; L55-D57 VanDerWaalsContact O-N 3.09Å; L55-G62 WeakPolarHBondContact CG-O 3.31Å; L55-G62 PolarHBondContact N-O 3.28Å; L55-R64 HydrophobicContact CD1-CG 3.71Å; L55-R64 HydrophobicContact CD2-CG 4.3Å; L55-R64 HydrophobicContact CG-CG 3.84Å; L55-A111 HydrophobicContact CD2-CB 4.07Å; L55-T112 WeakPolarHBondContact CD2-O 3.45Å; L55-V116 HydrophobicContact CD2-CB 4.18Å; L55-V116 HydrophobicContact CD2-CG2 4.11Å; L55-I133 HydrophobicContact CD1-CD1 3.58Å; L55-I133 HydrophobicContact CD2-CD1 4.41Å | ||
| 56 | N | 80.2 | Confident | 90.2 | Very high | 135 Ų | 135 | 42.6 Ų | 42.6 | 72% | 0.722 | 24% | 0.236 | S | C | * | . | trans | 50.4 | 32.4 | -174.5 | -63.8 | -31.9 | 0 | 0 | 0 | 113.6 | N54 | N54-N56 WeakPolarHBondContact OD1-CA 3.42Å; N54-N56 PolarHBondContact OD1-N 3.31Å; N54-N56 PolarHBondContact OD1-OD1 2.95Å | ||
| 57 | D | 72.6 | Confident | 90.5 | Very high | 53 Ų | 53 | 41.7 Ų | 41.7 | 28% | 0.283 | 23% | 0.231 | S | C | . | . | trans | -75.4 | 126.8 | -177.8 | -178.8 | 5.5 | 0 | 0 | 0 | 110.7 | L55 S59 G60 | L55-D57 PolarHBondContact O-N 3.27Å; L55-D57 VanDerWaalsContact O-N 3.09Å; D57-S59 PolarHBondContact O-N 2.62Å; D57-S59 VanDerWaalsContact O-N 3.08Å; D57-S59 WeakPolarHBondContact OD1-CB 3.19Å; D57-S59 PolarHBondContact OD1-N 2.92Å; D57-S59 PolarHBondContact OD1-OG 3.01Å; D57-S59 WeakPolarHBondContact OD2-CB 3.48Å; D57-S59 PolarHBondContact OD2-OG 2.94Å; D57-G60 PolarHBondContact O-N 2.75Å | ||
| 58 | Q | 67 | Low | 90.6 | Very high | 202 Ų | 202 | 40.6 Ų | 40.6 | 94% | 0.944 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -14.4 | 177.8 | -61.8 | -175.9 | 5.9 | 0 | 0 | 113 | G60 | Q58-G60 PolarHBondContact O-N 2.8Š|
| 59 | S | 70.3 | Confident | 90.5 | Very high | 68 Ų | 68 | 40.7 Ų | 40.7 | 48% | 0.476 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -10.1 | 178.8 | 81.2 | 0 | 0 | 0 | 0 | 115.2 | D57 N61 | D57-S59 PolarHBondContact O-N 2.62Å; D57-S59 VanDerWaalsContact O-N 3.08Å; D57-S59 WeakPolarHBondContact OD1-CB 3.19Å; D57-S59 PolarHBondContact OD1-N 2.92Å; D57-S59 PolarHBondContact OD1-OG 3.01Å; D57-S59 WeakPolarHBondContact OD2-CB 3.48Å; D57-S59 PolarHBondContact OD2-OG 2.94Å; S59-N61 PolarHBondContact O-N 2.87Å; S59-N61 PolarHBondContact OG-N 3.36Å |
| 60 | G | 71.7 | Confident | 90.2 | Very high | 57 Ų | 57 | 37.8 Ų | 37.8 | 59% | 0.588 | 21% | 0.214 | S | C | * | . | S | Bend | trans | 73.1 | 6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D57 Q58 | D57-G60 PolarHBondContact O-N 2.75Å; Q58-G60 PolarHBondContact O-N 2.8Å |
| 61 | N | 79.9 | Confident | 90.1 | Very high | 55 Ų | 55 | 42.9 Ų | 42.9 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | trans | -119.5 | 43.6 | 170.4 | -64.5 | -65.8 | 0 | 0 | 0 | 110.7 | S59 D63 R64 I77 R82 | S59-N61 PolarHBondContact O-N 2.87Å; S59-N61 PolarHBondContact OG-N 3.36Å; N61-D63 VanDerWaalsContact C-N 3.29Å; N61-D63 PolarHBondContact O-N 2.95Å; N61-R64 PolarHBondContact O-NH1 3.35Å; N61-I77 HydrophobicContact CB-CG2 4.23Å; N61-R82 PolarHBondContact OD1-NH2 2.81Å | ||
| 62 | G | 90.8 | Very high | 90 | Very high | 3 Ų | 3 | 44 Ų | 44 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | trans | -71.7 | -17.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | L55 R64 | L55-G62 WeakPolarHBondContact CG-O 3.31Å; L55-G62 PolarHBondContact N-O 3.28Å; G62-R64 PolarHBondContact O-NH1 2.89Å | ||
| 63 | D | 96.4 | Very high | 90 | Very high | 62 Ų | 62 | 42.8 Ų | 42.8 | 33% | 0.332 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 137.4 | -177.1 | -59.5 | -45.5 | 0 | 0 | 0 | 112.2 | V53 N54 N61 Y78 | V53-D63 CarbonylContact O-C 3.6Å; N54-D63 PolarHBondContact ND2-OD1 3.4Å; N61-D63 VanDerWaalsContact C-N 3.29Å; N61-D63 PolarHBondContact O-N 2.95Å; D63-Y78 HydrophobicContact CB-CD1 4.38Å; D63-Y78 PolarHBondContact O-N 2.92Å |
| 64 | R | 98.1 | Very high | 90 | Very high | 23 Ų | 23 | 42.9 Ų | 42.9 | 9% | 0.087 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 144.5 | 176.1 | -59 | -71.7 | 177.2 | -82.6 | -1.6 | 109.9 | F52 V53 L55 N61 G62 F75 Y76 | F52-R64 VanDerWaalsContact CA-O 3.32Å; F52-R64 WeakPolarHBondContact CA-O 3.3Å; F52-R64 WeakPolarHBondContact CD1-O 3.45Å; V53-R64 HydrophobicContact CG1-CB 3.77Å; V53-R64 HydrophobicContact CG1-CG 4.36Å; V53-R64 PolarHBondContact N-O 3.46Å; V53-R64 VanDerWaalsContact N-O 3.16Å; V53-R64 PolarHBondContact O-N 2.81Å; L55-R64 HydrophobicContact CD1-CG 3.71Å; L55-R64 HydrophobicContact CD2-CG 4.3Å; L55-R64 HydrophobicContact CG-CG 3.84Å; N61-R64 PolarHBondContact O-NH1 3.35Å; G62-R64 PolarHBondContact O-NH1 2.89Å; R64-F75 HydrophobicContact CB-CD2 4.49Å; R64-F75 HydrophobicContact CB-CE2 3.49Å; R64-F75 VanDerWaalsContact CB-CE2 3.49Å; R64-F75 HydrophobicContact CB-CZ 3.62Å; R64-F75 HydrophobicContact CG-CE1 4.49Å; R64-F75 HydrophobicContact CG-CE2 4.07Å; R64-F75 HydrophobicContact CG-CZ 3.63Å; R64-Y76 CarbonylContact C-O 3.59Å; R64-Y76 VanDerWaalsContact CA-O 3.31Å; R64-Y76 WeakPolarHBondContact CA-O 3.48Å |
| 65 | L | 98.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 129.4 | 178.6 | 169.1 | 70.7 | 0 | 0 | 0 | 108.9 | Y32 V50 F52 F67 F75 Y76 Y78 | Y32-L65 HydrophobicContact CD1-CD2 3.58Å; Y32-L65 HydrophobicContact CD2-CD2 3.77Å; Y32-L65 HydrophobicContact CE1-CD2 4.17Å; Y32-L65 HydrophobicContact CE2-CD2 4.35Å; Y32-L65 HydrophobicContact CG-CD2 3.36Å; V50-L65 HydrophobicContact CG1-CD1 3.39Å; F52-L65 HydrophobicContact CD1-CB 4.32Å; F52-L65 HydrophobicContact CD1-CD1 4.15Å; F52-L65 HydrophobicContact CE1-CB 4Å; F52-L65 HydrophobicContact CE1-CD1 3.48Å; F52-L65 VanDerWaalsContact CE1-CD1 3.48Å; F52-L65 HydrophobicContact CE1-CG 4.29Å; F52-L65 HydrophobicContact CE2-CD1 4.35Å; F52-L65 HydrophobicContact CZ-CD1 3.61Å; L65-F67 HydrophobicContact CD2-CD1 3.99Å; L65-F67 HydrophobicContact CD2-CE1 4.28Å; L65-F67 HydrophobicContact CG-CD1 4.09Å; L65-F75 CarbonylContact O-C 3.47Å; L65-F75 WeakPolarHBondContact O-CA 3.42Å; L65-Y76 PolarHBondContact N-O 2.99Å; L65-Y76 PolarHBondContact O-N 2.84Å; L65-Y78 HydrophobicContact CB-CD2 4.38Å; L65-Y78 HydrophobicContact CD2-CD2 4.35Å |
| 66 | C | 98.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 137.8 | 163.7 | -174.6 | 0 | 0 | 0 | 0 | 110.8 | V50 S51 Y74 F75 F106 L118 | V50-C66 CarbonylContact C-O 3.58Å; V50-C66 WeakPolarHBondContact CA-O 3.49Å; S51-C66 PolarHBondContact N-O 3.34Å; S51-C66 PolarHBondContact O-N 3.04Å; C66-Y74 VanDerWaalsContact CA-O 3.27Å; C66-Y74 WeakPolarHBondContact CA-O 3.47Å; C66-Y74 PolarHBondContact SG-O 2.86Å; C66-Y74 VanDerWaalsContact SG-O 3.35Å; C66-F75 HydrophobicContact CB-CD2 4.21Å; C66-F106 HydrophobicContact CB-CE2 3.67Å; C66-F106 HydrophobicContact CB-CZ 3.57Å; C66-L118 HydrophobicContact CB-CD2 4.28Å |
| 67 | F | 98.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 149.6 | 171.6 | 68.1 | -89 | 0 | 0 | 0 | 112.2 | R49 V50 L65 V69 Y74 Y76 I586 | R49-F67 VanDerWaalsContact O-CA 3.23Å; R49-F67 WeakPolarHBondContact O-CA 3.48Å; R49-F67 WeakPolarHBondContact O-CB 3.45Å; V50-F67 HydrophobicContact CG2-CB 3.95Å; L65-F67 HydrophobicContact CD2-CD1 3.99Å; L65-F67 HydrophobicContact CD2-CE1 4.28Å; L65-F67 HydrophobicContact CG-CD1 4.09Å; F67-V69 HydrophobicContact CD2-CG2 3.82Å; F67-V69 HydrophobicContact CE2-CG2 3.88Å; F67-Y74 HydrophobicContact CD2-CD2 4.31Å; F67-Y74 HydrophobicContact CE1-CG 4.36Å; F67-Y74 AromaticContact CE2-CD2 3.63Å; F67-Y74 HydrophobicContact CE2-CD2 3.63Å; F67-Y74 HydrophobicContact CE2-CE2 4.39Å; F67-Y74 HydrophobicContact CE2-CG 4.09Å; F67-Y74 AromaticContact CZ-CD2 3.85Å; F67-Y74 HydrophobicContact CZ-CD2 3.85Å; F67-Y74 AromaticContact CZ-CG 3.82Å; F67-Y74 HydrophobicContact CZ-CG 3.82Å; F67-Y74 PolarHBondContact N-O 2.66Å; F67-Y74 VanDerWaalsContact N-O 3.14Å; F67-Y74 PolarHBondContact O-N 3.17Å; F67-Y76 AromaticContact CE1-CD2 3.85Å; F67-Y76 HydrophobicContact CE1-CD2 3.85Å; F67-Y76 AromaticContact CE1-CE2 3.86Å; F67-Y76 HydrophobicContact CE1-CE2 3.86Å; F67-Y76 HydrophobicContact CZ-CE2 4.14Å; F67-I586 HydrophobicContact CB-CD1 4.22Å; F67-I586 HydrophobicContact CB-CG1 4.41Å; F67-I586 HydrophobicContact CD1-CD1 3.95Å; F67-I586 HydrophobicContact CD2-CD1 3.57Å; F67-I586 HydrophobicContact CE1-CD1 4.17Å; F67-I586 HydrophobicContact CE2-CD1 3.81Å; F67-I586 HydrophobicContact CG-CD1 3.65Å; F67-I586 HydrophobicContact CG-CG1 4.29Å; F67-I586 HydrophobicContact CZ-CD1 4.11Å |
| 68 | N | 98.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 144.8 | 174.5 | 71.4 | -61.2 | 0 | 0 | 0 | 112.1 | P47 V48 R49 E72 L73 P101 H104 | P47-N68 PolarHBondContact O-ND2 3.12Å; V48-N68 WeakPolarHBondContact CG1-O 3.41Å; R49-N68 WeakPolarHBondContact CA-OD1 3.48Å; R49-N68 WeakPolarHBondContact CB-OD1 3.33Å; R49-N68 PolarHBondContact N-OD1 3.46Å; R49-N68 PolarHBondContact O-N 3.02Å; R49-N68 PolarHBondContact O-OD1 2.81Å; N68-E72 CarbonylContact C-O 3.6Å; N68-E72 VanDerWaalsContact CA-O 3.3Å; N68-E72 WeakPolarHBondContact CA-O 3.35Å; N68-L73 HydrophobicContact CB-CD1 3.83Å; N68-P101 HydrophobicContact CB-CB 3.89Å; N68-P101 HydrophobicContact CB-CG 4.45Å; N68-P101 PolarHBondContact ND2-O 3.35Å; N68-H104 PolarHBondContact OD1-NE2 3.2Å |
| 69 | V | 96.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 106 | 169.8 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | R34 F40 V48 F67 R71 E72 | R34-V69 HydrophobicContact CG-CB 4.29Å; R34-V69 HydrophobicContact CG-CG1 4.32Å; R34-V69 HydrophobicContact CG-CG2 4.26Å; F40-V69 HydrophobicContact CB-CG1 3.48Å; F40-V69 VanDerWaalsContact CB-CG1 3.48Å; F40-V69 HydrophobicContact CD1-CG1 3.8Å; F40-V69 HydrophobicContact CD2-CG1 3.76Å; F40-V69 HydrophobicContact CE1-CG1 4.44Å; F40-V69 HydrophobicContact CE2-CG1 4.43Å; F40-V69 HydrophobicContact CG-CG1 3.39Å; V48-V69 HydrophobicContact CG2-CG2 4.37Å; F67-V69 HydrophobicContact CD2-CG2 3.82Å; F67-V69 HydrophobicContact CE2-CG2 3.88Å; V69-R71 PolarHBondContact O-N 2.71Å; V69-E72 PolarHBondContact N-O 3.11Å; V69-E72 PolarHBondContact O-N 3.07Å |
| 70 | G | 93.9 | Very high | 95 | Very high | 2 Ų | 2 | 24 Ų | 24 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | -106.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P101 | G70-P101 WeakPolarHBondContact O-CD 3.43Š|
| 71 | R | 94.8 | Very high | 96.1 | Very high | 122 Ų | 122 | 22.4 Ų | 22.4 | 46% | 0.46 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -5.6 | -179.9 | -72.3 | 177.5 | -176.7 | -151.1 | -1.8 | 113.9 | V69 I95 Y96 K97 Q100 | V69-R71 PolarHBondContact O-N 2.71Å; R71-I95 WeakPolarHBondContact O-CA 3.29Å; R71-Y96 VanDerWaalsContact CB-O 3.29Å; R71-Y96 WeakPolarHBondContact CB-O 3.46Å; R71-Y96 VanDerWaalsContact CD-O 3.28Å; R71-Y96 WeakPolarHBondContact CD-O 3.48Å; R71-Y96 VanDerWaalsContact CG-O 3.24Å; R71-Y96 WeakPolarHBondContact CG-O 3.35Å; R71-Y96 PolarHBondContact O-N 2.8Å; R71-K97 PolarHBondContact NH1-O 3.49Å; R71-Q100 HydrophobicContact CG-CG 3.64Å |
| 72 | E | 97 | Very high | 96.9 | Very high | 34 Ų | 34 | 24.5 Ų | 24.5 | 16% | 0.159 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 142 | -175.2 | -54.4 | -171.9 | 125.2 | 0 | 0 | 110.6 | R34 N68 V69 Y74 K93 R94 I95 | R34-E72 VanDerWaalsContact CD-OE2 3.24Å; R34-E72 WeakPolarHBondContact CD-OE2 3.4Å; N68-E72 CarbonylContact C-O 3.6Å; N68-E72 VanDerWaalsContact CA-O 3.3Å; N68-E72 WeakPolarHBondContact CA-O 3.35Å; V69-E72 PolarHBondContact N-O 3.11Å; V69-E72 PolarHBondContact O-N 3.07Å; E72-Y74 HydrophobicContact CB-CD2 4.26Å; E72-Y74 HydrophobicContact CB-CE2 3.55Å; E72-Y74 HydrophobicContact CG-CE2 4.43Å; E72-Y74 PolarHBondContact OE1-OH 2.97Å; E72-Y74 WeakPolarHBondContact OE2-CE2 3.43Å; E72-Y74 PolarHBondContact OE2-OH 3.46Å; E72-K93 VanDerWaalsContact OE1-CE 3.3Å; E72-K93 WeakPolarHBondContact OE1-CE 3.36Å; E72-K93 IonicContact OE1-NZ 3.98Å; E72-K93 PolarHBondContact OE1-NZ 2.79Å; E72-R94 CarbonylContact C-O 3.59Å; E72-R94 WeakPolarHBondContact CA-O 3.22Å; E72-I95 HydrophobicContact CG-CG1 4.46Å |
| 73 | L | 98.5 | Very high | 97.2 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 130 | 170.6 | -170.8 | 78.6 | 0 | 0 | 0 | 108.1 | N68 K93 R94 Y96 V120 I130 | N68-L73 HydrophobicContact CB-CD1 3.83Å; L73-K93 WeakPolarHBondContact O-CA 3.46Å; L73-R94 HydrophobicContact CB-CB 4.35Å; L73-R94 PolarHBondContact N-O 2.97Å; L73-R94 PolarHBondContact O-N 2.8Å; L73-Y96 HydrophobicContact CB-CE2 3.99Å; L73-V120 HydrophobicContact CD2-CG2 3.86Å; L73-I130 HydrophobicContact CD2-CD1 3.81Å |
| 74 | Y | 98.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 146.3 | -178 | -69.3 | -89.6 | 0 | 0 | 0 | 111.1 | R34 P35 C66 F67 E72 Y76 P90 K93 | R34-Y74 HydrophobicContact CG-CE2 4.01Å; P35-Y74 WeakPolarHBondContact CD-OH 3.35Å; P35-Y74 HydrophobicContact CG-CE1 3.94Å; C66-Y74 VanDerWaalsContact CA-O 3.27Å; C66-Y74 WeakPolarHBondContact CA-O 3.47Å; C66-Y74 PolarHBondContact SG-O 2.86Å; C66-Y74 VanDerWaalsContact SG-O 3.35Å; F67-Y74 HydrophobicContact CD2-CD2 4.31Å; F67-Y74 HydrophobicContact CE1-CG 4.36Å; F67-Y74 AromaticContact CE2-CD2 3.63Å; F67-Y74 HydrophobicContact CE2-CD2 3.63Å; F67-Y74 HydrophobicContact CE2-CE2 4.39Å; F67-Y74 HydrophobicContact CE2-CG 4.09Å; F67-Y74 AromaticContact CZ-CD2 3.85Å; F67-Y74 HydrophobicContact CZ-CD2 3.85Å; F67-Y74 AromaticContact CZ-CG 3.82Å; F67-Y74 HydrophobicContact CZ-CG 3.82Å; F67-Y74 PolarHBondContact N-O 2.66Å; F67-Y74 VanDerWaalsContact N-O 3.14Å; F67-Y74 PolarHBondContact O-N 3.17Å; E72-Y74 HydrophobicContact CB-CD2 4.26Å; E72-Y74 HydrophobicContact CB-CE2 3.55Å; E72-Y74 HydrophobicContact CG-CE2 4.43Å; E72-Y74 PolarHBondContact OE1-OH 2.97Å; E72-Y74 WeakPolarHBondContact OE2-CE2 3.43Å; E72-Y74 PolarHBondContact OE2-OH 3.46Å; Y74-Y76 AromaticContact CD1-CE2 3.83Å; Y74-Y76 HydrophobicContact CD1-CE2 3.83Å; Y74-Y76 HydrophobicContact CG-CE2 4.07Å; Y74-P90 HydrophobicContact CD1-CB 4.42Å; Y74-K93 HydrophobicContact CD1-CB 4.48Å; Y74-K93 HydrophobicContact CD1-CD 4.35Å; Y74-K93 HydrophobicContact CD1-CG 4.16Å; Y74-K93 HydrophobicContact CE1-CD 3.65Å; Y74-K93 HydrophobicContact CE1-CG 3.92Å; Y74-K93 WeakPolarHBondContact OH-CE 3.29Å; Y74-K93 PolarHBondContact OH-NZ 2.88Å |
| 75 | F | 98.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 123.1 | 174.6 | -175 | -117.2 | 0 | 0 | 0 | 110.6 | R64 L65 C66 I91 D92 F106 V116 P132 I133 | R64-F75 HydrophobicContact CB-CD2 4.49Å; R64-F75 HydrophobicContact CB-CE2 3.49Å; R64-F75 VanDerWaalsContact CB-CE2 3.49Å; R64-F75 HydrophobicContact CB-CZ 3.62Å; R64-F75 HydrophobicContact CG-CE1 4.49Å; R64-F75 HydrophobicContact CG-CE2 4.07Å; R64-F75 HydrophobicContact CG-CZ 3.63Å; L65-F75 CarbonylContact O-C 3.47Å; L65-F75 WeakPolarHBondContact O-CA 3.42Å; C66-F75 HydrophobicContact CB-CD2 4.21Å; F75-I91 HydrophobicContact CD1-CB 3.66Å; F75-I91 HydrophobicContact CD1-CD1 4.04Å; F75-I91 HydrophobicContact CD1-CG1 4.44Å; F75-I91 HydrophobicContact CD1-CG2 3.7Å; F75-I91 HydrophobicContact CE1-CB 4.2Å; F75-I91 HydrophobicContact CE1-CD1 3.89Å; F75-I91 HydrophobicContact CE1-CG2 3.91Å; F75-I91 WeakPolarHBondContact O-CB 3.34Å; F75-I91 PolarHBondContact O-N 2.84Å; F75-D92 HydrophobicContact CB-CB 4.12Å; F75-D92 PolarHBondContact N-O 3Å; F75-D92 PolarHBondContact O-N 3.16Å; F75-F106 HydrophobicContact CD2-CE1 4.44Å; F75-F106 AromaticContact CD2-CZ 3.87Å; F75-F106 HydrophobicContact CD2-CZ 3.87Å; F75-F106 AromaticContact CE2-CE1 3.83Å; F75-F106 HydrophobicContact CE2-CE1 3.83Å; F75-F106 AromaticContact CE2-CZ 3.47Å; F75-F106 HydrophobicContact CE2-CZ 3.47Å; F75-F106 VanDerWaalsContact CE2-CZ 3.47Å; F75-V116 HydrophobicContact CZ-CG1 4.08Å; F75-P132 HydrophobicContact CB-CB 4.14Å; F75-P132 HydrophobicContact CD1-CB 3.54Å; F75-P132 HydrophobicContact CD1-CG 3.74Å; F75-P132 HydrophobicContact CD2-CB 4.41Å; F75-P132 HydrophobicContact CD2-CG 4.07Å; F75-P132 HydrophobicContact CE1-CB 3.96Å; F75-P132 HydrophobicContact CE1-CG 3.7Å; F75-P132 HydrophobicContact CE2-CG 4.01Å; F75-P132 HydrophobicContact CG-CB 3.79Å; F75-P132 HydrophobicContact CG-CG 3.93Å; F75-P132 HydrophobicContact CZ-CG 3.83Å; F75-I133 HydrophobicContact CE1-CG1 3.85Å; F75-I133 HydrophobicContact CZ-CG1 4.27Å |
| 76 | Y | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 163.2 | -175.4 | -71.8 | -84.1 | 0 | 0 | 0 | 112 | Y32 R64 L65 F67 Y74 L87 P90 | Y32-Y76 HydrophobicContact CD1-CD2 4.32Å; Y32-Y76 HydrophobicContact CD1-CG 4.26Å; Y32-Y76 HydrophobicContact CE1-CG 4.31Å; R64-Y76 CarbonylContact C-O 3.59Å; R64-Y76 VanDerWaalsContact CA-O 3.31Å; R64-Y76 WeakPolarHBondContact CA-O 3.48Å; L65-Y76 PolarHBondContact N-O 2.99Å; L65-Y76 PolarHBondContact O-N 2.84Å; F67-Y76 AromaticContact CE1-CD2 3.85Å; F67-Y76 HydrophobicContact CE1-CD2 3.85Å; F67-Y76 AromaticContact CE1-CE2 3.86Å; F67-Y76 HydrophobicContact CE1-CE2 3.86Å; F67-Y76 HydrophobicContact CZ-CE2 4.14Å; Y74-Y76 AromaticContact CD1-CE2 3.83Å; Y74-Y76 HydrophobicContact CD1-CE2 3.83Å; Y74-Y76 HydrophobicContact CG-CE2 4.07Å; Y76-L87 HydrophobicContact CE1-CD2 4.49Å; Y76-L87 PolarHBondContact OH-O 2.97Å; Y76-P90 HydrophobicContact CD1-CB 4.28Å; Y76-P90 HydrophobicContact CE1-CB 3.67Å; Y76-P90 HydrophobicContact CE1-CG 4.47Å; Y76-P90 HydrophobicContact CE2-CB 4.16Å |
| 77 | I | 97.4 | Very high | 97.1 | Very high | 53 Ų | 53 | 34 Ų | 34 | 27% | 0.272 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 129.3 | 157.4 | -56.3 | -177.7 | 0 | 0 | 0 | 107.7 | Y32 N61 K79 I91 | Y32-I77 PolarHBondContact OH-O 3.38Å; N61-I77 HydrophobicContact CB-CG2 4.23Å; I77-K79 HydrophobicContact CG2-CG 4.21Å; I77-I91 HydrophobicContact CG1-CD1 3.79Å; I77-I91 HydrophobicContact CG1-CG1 4.43Å |
| 78 | Y | 97.5 | Very high | 97 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | trans | -90.9 | 137.6 | 168.9 | -172.1 | -120.6 | 0 | 0 | 0 | 109.8 | Y32 F52 D63 L65 G80 L573 C576 V578 T588 | Y32-Y78 HydrophobicContact CD2-CD2 4.12Å; Y32-Y78 HydrophobicContact CD2-CE2 4.15Å; Y32-Y78 AromaticContact CE2-CD2 3.51Å; Y32-Y78 HydrophobicContact CE2-CD2 3.51Å; Y32-Y78 AromaticContact CE2-CE2 3.74Å; Y32-Y78 HydrophobicContact CE2-CE2 3.74Å; F52-Y78 HydrophobicContact CD1-CD1 4.05Å; F52-Y78 HydrophobicContact CD1-CG 4.12Å; F52-Y78 AromaticContact CE1-CD1 3.55Å; F52-Y78 HydrophobicContact CE1-CD1 3.55Å; F52-Y78 AromaticContact CE1-CD2 3.68Å; F52-Y78 HydrophobicContact CE1-CD2 3.68Å; F52-Y78 AromaticContact CE1-CE1 3.83Å; F52-Y78 HydrophobicContact CE1-CE1 3.83Å; F52-Y78 AromaticContact CE1-CE2 3.97Å; F52-Y78 HydrophobicContact CE1-CE2 3.97Å; F52-Y78 AromaticContact CE1-CG 3.47Å; F52-Y78 HydrophobicContact CE1-CG 3.47Å; F52-Y78 VanDerWaalsContact CE1-CG 3.47Å; F52-Y78 HydrophobicContact CZ-CD1 4.4Å; F52-Y78 HydrophobicContact CZ-CD2 4.34Å; F52-Y78 HydrophobicContact CZ-CE1 4.24Å; F52-Y78 HydrophobicContact CZ-CE2 4.2Å; F52-Y78 HydrophobicContact CZ-CG 4.45Å; D63-Y78 HydrophobicContact CB-CD1 4.38Å; D63-Y78 PolarHBondContact O-N 2.92Å; L65-Y78 HydrophobicContact CB-CD2 4.38Å; L65-Y78 HydrophobicContact CD2-CD2 4.35Å; Y78-G80 VanDerWaalsContact CE1-CA 3.44Å; Y78-L573 HydrophobicContact CD1-CD1 4.42Å; Y78-L573 HydrophobicContact CE1-CD1 3.6Å; Y78-C576 PolarHBondContact OH-SG 2.65Å; Y78-C576 VanDerWaalsContact OH-SG 3.39Å; Y78-V578 WeakPolarHBondContact OH-CG2 3.49Å; Y78-T588 WeakPolarHBondContact OH-CG2 3.46Å; Y78-T588 PolarHBondContact OH-OG1 3.21Å; Y78-T588 VanDerWaalsContact OH-OG1 3.09Å | ||
| 79 | K | 96.3 | Very high | 97 | Very high | 69 Ų | 69 | 45.1 Ų | 45.1 | 30% | 0.3 | 22% | 0.216 | S | C | . | . | trans | -117.5 | 12.8 | -174.5 | -68.9 | -170 | 169.7 | -173 | 0 | 113 | Y32 I77 V81 R82 K83 | Y32-K79 PolarHBondContact OH-N 3.04Å; I77-K79 HydrophobicContact CG2-CG 4.21Å; K79-V81 PolarHBondContact O-N 2.58Å; K79-R82 HydrophobicContact CB-CB 4.24Å; K79-R82 VanDerWaalsContact O-CB 3.29Å; K79-R82 WeakPolarHBondContact O-CB 3.32Å; K79-R82 PolarHBondContact O-N 3.07Å; K79-K83 WeakPolarHBondContact CD-O 3.41Å | ||
| 80 | G | 95.4 | Very high | 97 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | -133 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S30 Y78 R82 D575 | S30-G80 WeakPolarHBondContact CB-O 3.36Å; S30-G80 PolarHBondContact OG-O 2.7Å; Y78-G80 VanDerWaalsContact CE1-CA 3.44Å; G80-R82 PolarHBondContact O-N 2.92Å; G80-D575 WeakPolarHBondContact CA-OD2 3.42Å |
| 81 | V | 96 | Very high | 97.2 | Very high | 22 Ų | 22 | 49 Ų | 49 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -2.3 | 176.6 | -60.2 | 0 | 0 | 0 | 0 | 115.1 | L27 H29 S30 K79 D575 C576 V595 | L27-V81 HydrophobicContact CD1-CB 3.57Å; L27-V81 HydrophobicContact CD1-CG1 3.7Å; H29-V81 PolarHBondContact CE1-O 3.05Å; H29-V81 VanDerWaalsContact CE1-O 3.27Å; S30-V81 PolarHBondContact OG-O 2.94Å; K79-V81 PolarHBondContact O-N 2.58Å; V81-D575 HydrophobicContact CG1-CB 4.24Å; V81-D575 PolarHBondContact N-OD2 3.11Å; V81-D575 VanDerWaalsContact N-OD2 3.16Å; V81-C576 HydrophobicContact CG1-CB 3.91Å; V81-V595 HydrophobicContact CG1-CG2 4.33Å |
| 82 | R | 95.4 | Very high | 97.3 | Very high | 99 Ų | 99 | 44 Ų | 44 | 37% | 0.374 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -82.8 | 166.7 | 174.8 | -54.2 | -175.9 | -68.2 | -81.2 | 8.6 | 110.6 | S30 N61 K79 G80 A84 | S30-R82 PolarHBondContact OG-O 3.29Å; N61-R82 PolarHBondContact OD1-NH2 2.81Å; K79-R82 HydrophobicContact CB-CB 4.24Å; K79-R82 VanDerWaalsContact O-CB 3.29Å; K79-R82 WeakPolarHBondContact O-CB 3.32Å; K79-R82 PolarHBondContact O-N 3.07Å; G80-R82 PolarHBondContact O-N 2.92Å; R82-A84 PolarHBondContact O-N 2.81Å |
| 83 | K | 96.8 | Very high | 97.4 | Very high | 163 Ų | 163 | 46.2 Ų | 46.2 | 71% | 0.709 | 23% | 0.23 | S | C | * | . | P | Polyproline II helix | trans | -51.4 | 128.9 | 173.2 | -175.3 | 177.4 | 179.8 | 179.3 | 0 | 110 | H29 K79 | H29-K83 WeakPolarHBondContact O-CA 3.42Å; K79-K83 WeakPolarHBondContact CD-O 3.41Å |
| 84 | A | 97.4 | Very high | 97.3 | Very high | 15 Ų | 15 | 48 Ų | 48 | 12% | 0.124 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -55.2 | 156.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H29 E31 Y32 R82 | H29-A84 PolarHBondContact O-N 3.08Å; E31-A84 WeakPolarHBondContact O-CB 3.49Å; Y32-A84 HydrophobicContact CD2-CB 4.25Å; Y32-A84 HydrophobicContact CE1-CB 4.18Å; Y32-A84 HydrophobicContact CE2-CB 3.73Å; Y32-A84 WeakPolarHBondContact OH-CA 3.21Å; R82-A84 PolarHBondContact O-N 2.81Å |
| 85 | A | 97.1 | Very high | 97.2 | Very high | 15 Ų | 15 | 52.9 Ų | 52.9 | 12% | 0.124 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 158.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y32 L87 | Y32-A85 HydrophobicContact CE1-CB 4.16Å; Y32-A85 PolarHBondContact OH-N 2.72Å; Y32-A85 VanDerWaalsContact OH-N 3.08Å; A85-L87 PolarHBondContact O-N 3.43Å |
| 86 | D | 97.5 | Very high | 97 | Very high | 84 Ų | 84 | 54.2 Ų | 54.2 | 45% | 0.449 | 27% | 0.266 | S | S | . | . | trans | -63.5 | 107.5 | 176.5 | -179.3 | -2.6 | 0 | 0 | 0 | 109.8 | S88 K89 | D86-S88 PolarHBondContact O-N 3.11Å; D86-S88 VanDerWaalsContact O-N 3.11Å; D86-S88 WeakPolarHBondContact OD1-CB 3.47Å; D86-S88 PolarHBondContact OD1-N 2.88Å; D86-S88 PolarHBondContact OD1-OG 3.23Å; D86-S88 PolarHBondContact OD2-OG 3.35Å; D86-K89 PolarHBondContact O-N 3.31Å; D86-K89 WeakPolarHBondContact OD2-CD 3.5Å; D86-K89 WeakPolarHBondContact OD2-CE 3.49Å; D86-K89 IonicContact OD2-NZ 3.76Å | ||
| 87 | L | 97.8 | Very high | 96.5 | Very high | 12 Ų | 12 | 63 Ų | 63 | 6% | 0.063 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.4 | -178 | -57 | -175.1 | 0 | 0 | 0 | 112.7 | Y32 P35 R37 Y76 A85 K89 | Y32-L87 HydrophobicContact CD1-CD2 3.66Å; Y32-L87 HydrophobicContact CE1-CD2 4.26Å; Y32-L87 HydrophobicContact CG-CD2 4.28Å; P35-L87 WeakPolarHBondContact CB-O 3.34Å; P35-L87 WeakPolarHBondContact CG-O 3.28Å; R37-L87 VanDerWaalsContact NH2-CD1 3.34Å; Y76-L87 HydrophobicContact CE1-CD2 4.49Å; Y76-L87 PolarHBondContact OH-O 2.97Å; A85-L87 PolarHBondContact O-N 3.43Å; L87-K89 PolarHBondContact O-N 2.76Å |
| 88 | S | 97.6 | Very high | 96 | Very high | 78 Ų | 78 | 63.3 Ų | 63.3 | 55% | 0.545 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -12.5 | 173.8 | 70.4 | 0 | 0 | 0 | 0 | 113.2 | D86 P90 | D86-S88 PolarHBondContact O-N 3.11Å; D86-S88 VanDerWaalsContact O-N 3.11Å; D86-S88 WeakPolarHBondContact OD1-CB 3.47Å; D86-S88 PolarHBondContact OD1-N 2.88Å; D86-S88 PolarHBondContact OD1-OG 3.23Å; D86-S88 PolarHBondContact OD2-OG 3.35Å; S88-P90 VanDerWaalsContact C-CD 3.5Å; S88-P90 WeakPolarHBondContact O-CD 3.27Å |
| 89 | K | 97.5 | Very high | 95.7 | Very high | 154 Ų | 154 | 64.6 Ų | 64.6 | 67% | 0.67 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -127.9 | 68.5 | -172.7 | -62 | 177.4 | -171.1 | 171.1 | 0 | 111.7 | D86 L87 | D86-K89 PolarHBondContact O-N 3.31Å; D86-K89 WeakPolarHBondContact OD2-CD 3.5Å; D86-K89 WeakPolarHBondContact OD2-CE 3.49Å; D86-K89 IonicContact OD2-NZ 3.76Å; L87-K89 PolarHBondContact O-N 2.76Å |
| 90 | P | 97.5 | Very high | 95.7 | Very high | 35 Ų | 35 | 63.5 Ų | 63.5 | 23% | 0.227 | 33% | 0.325 | C | S | . | . | trans | -59.5 | 147.2 | 169.7 | 24.5 | -31.4 | 0 | 0 | 0 | 111.1 | Y74 Y76 S88 D92 K93 | Y74-P90 HydrophobicContact CD1-CB 4.42Å; Y76-P90 HydrophobicContact CD1-CB 4.28Å; Y76-P90 HydrophobicContact CE1-CB 3.67Å; Y76-P90 HydrophobicContact CE1-CG 4.47Å; Y76-P90 HydrophobicContact CE2-CB 4.16Å; S88-P90 VanDerWaalsContact C-CD 3.5Å; S88-P90 WeakPolarHBondContact O-CD 3.27Å; P90-D92 VanDerWaalsContact C-N 3.32Å; P90-D92 WeakPolarHBondContact CB-O 3.18Å; P90-K93 HydrophobicContact CB-CB 4.42Å; P90-K93 HydrophobicContact CG-CB 3.94Å | ||
| 91 | I | 97.2 | Very high | 95.8 | Very high | 51 Ų | 51 | 63.3 Ų | 63.3 | 26% | 0.262 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -62.2 | -48.3 | 168.5 | -59.5 | 173 | 0 | 0 | 0 | 108 | F75 I77 K135 | F75-I91 HydrophobicContact CD1-CB 3.66Å; F75-I91 HydrophobicContact CD1-CD1 4.04Å; F75-I91 HydrophobicContact CD1-CG1 4.44Å; F75-I91 HydrophobicContact CD1-CG2 3.7Å; F75-I91 HydrophobicContact CE1-CB 4.2Å; F75-I91 HydrophobicContact CE1-CD1 3.89Å; F75-I91 HydrophobicContact CE1-CG2 3.91Å; F75-I91 WeakPolarHBondContact O-CB 3.34Å; F75-I91 PolarHBondContact O-N 2.84Å; I77-I91 HydrophobicContact CG1-CD1 3.79Å; I77-I91 HydrophobicContact CG1-CG1 4.43Å; I91-K135 WeakPolarHBondContact O-CE 3.15Å; I91-K135 PolarHBondContact O-NZ 2.73Å |
| 92 | D | 98.1 | Very high | 95.9 | Very high | 18 Ų | 18 | 62.4 Ų | 62.4 | 10% | 0.096 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 147.3 | 171 | -160.1 | 31.3 | 0 | 0 | 0 | 112.1 | F75 P90 R94 P132 K135 | F75-D92 HydrophobicContact CB-CB 4.12Å; F75-D92 PolarHBondContact N-O 3Å; F75-D92 PolarHBondContact O-N 3.16Å; P90-D92 VanDerWaalsContact C-N 3.32Å; P90-D92 WeakPolarHBondContact CB-O 3.18Å; D92-R94 IonicContact OD2-CZ 3.91Å; D92-R94 IonicContact OD2-NE 3.27Å; D92-R94 PolarHBondContact OD2-NE 2.92Å; D92-R94 IonicContact OD2-NH2 3.81Å; D92-P132 HydrophobicContact CB-CB 3.84Å; D92-P132 WeakPolarHBondContact CB-O 3.16Å; D92-K135 WeakPolarHBondContact OD1-CE 3.09Å; D92-K135 IonicContact OD1-NZ 3.12Å; D92-K135 PolarHBondContact OD1-NZ 3.03Å; D92-K135 VanDerWaalsContact OD1-NZ 3.12Å |
| 93 | K | 97.6 | Very high | 96.1 | Very high | 80 Ų | 80 | 57.9 Ų | 57.9 | 35% | 0.348 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 126.9 | 174.4 | 178.8 | -177.4 | 177.2 | 169.2 | 0 | 108.8 | E72 L73 Y74 P90 | E72-K93 VanDerWaalsContact OE1-CE 3.3Å; E72-K93 WeakPolarHBondContact OE1-CE 3.36Å; E72-K93 IonicContact OE1-NZ 3.98Å; E72-K93 PolarHBondContact OE1-NZ 2.79Å; L73-K93 WeakPolarHBondContact O-CA 3.46Å; Y74-K93 HydrophobicContact CD1-CB 4.48Å; Y74-K93 HydrophobicContact CD1-CD 4.35Å; Y74-K93 HydrophobicContact CD1-CG 4.16Å; Y74-K93 HydrophobicContact CE1-CD 3.65Å; Y74-K93 HydrophobicContact CE1-CG 3.92Å; Y74-K93 WeakPolarHBondContact OH-CE 3.29Å; Y74-K93 PolarHBondContact OH-NZ 2.88Å; P90-K93 HydrophobicContact CB-CB 4.42Å; P90-K93 HydrophobicContact CG-CB 3.94Å |
| 94 | R | 97.1 | Very high | 96.2 | Very high | 43 Ų | 43 | 50.5 Ų | 50.5 | 16% | 0.162 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 143.1 | 175.2 | -58.9 | -169 | 176.9 | -144.5 | 1.2 | 111 | E72 L73 D92 Y96 | E72-R94 CarbonylContact C-O 3.59Å; E72-R94 WeakPolarHBondContact CA-O 3.22Å; L73-R94 HydrophobicContact CB-CB 4.35Å; L73-R94 PolarHBondContact N-O 2.97Å; L73-R94 PolarHBondContact O-N 2.8Å; D92-R94 IonicContact OD2-CZ 3.91Å; D92-R94 IonicContact OD2-NE 3.27Å; D92-R94 PolarHBondContact OD2-NE 2.92Å; D92-R94 IonicContact OD2-NH2 3.81Å; R94-Y96 HydrophobicContact CB-CE2 3.95Å |
| 95 | I | 96.6 | Very high | 96.3 | Very high | 107 Ų | 107 | 50.4 Ų | 50.4 | 55% | 0.549 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 118 | 176.9 | -56.3 | 177.5 | 0 | 0 | 0 | 108.6 | R71 E72 | R71-I95 WeakPolarHBondContact O-CA 3.29Å; E72-I95 HydrophobicContact CG-CG1 4.46Å |
| 96 | Y | 94.2 | Very high | 96.4 | Very high | 32 Ų | 32 | 49.8 Ų | 49.8 | 13% | 0.125 | 26% | 0.261 | C | S | . | . | trans | -96.7 | 113.1 | -178.8 | -63 | -83.4 | 0 | 0 | 0 | 110.7 | R71 L73 R94 T99 P101 F122 Q128 | R71-Y96 VanDerWaalsContact CB-O 3.29Å; R71-Y96 WeakPolarHBondContact CB-O 3.46Å; R71-Y96 VanDerWaalsContact CD-O 3.28Å; R71-Y96 WeakPolarHBondContact CD-O 3.48Å; R71-Y96 VanDerWaalsContact CG-O 3.24Å; R71-Y96 WeakPolarHBondContact CG-O 3.35Å; R71-Y96 PolarHBondContact O-N 2.8Å; L73-Y96 HydrophobicContact CB-CE2 3.99Å; R94-Y96 HydrophobicContact CB-CE2 3.95Å; Y96-T99 VanDerWaalsContact CB-O 3.26Å; Y96-T99 WeakPolarHBondContact CB-O 3.44Å; Y96-P101 HydrophobicContact CD2-CG 3.61Å; Y96-P101 HydrophobicContact CE2-CG 3.76Å; Y96-P101 HydrophobicContact CG-CG 4.44Å; Y96-F122 AromaticContact CD1-CE1 3.55Å; Y96-F122 HydrophobicContact CD1-CE1 3.55Å; Y96-F122 AromaticContact CD1-CZ 3.89Å; Y96-F122 HydrophobicContact CD1-CZ 3.89Å; Y96-F122 HydrophobicContact CD2-CE1 4.11Å; Y96-F122 AromaticContact CE1-CE1 3.55Å; Y96-F122 HydrophobicContact CE1-CE1 3.55Å; Y96-F122 AromaticContact CE1-CZ 3.38Å; Y96-F122 HydrophobicContact CE1-CZ 3.38Å; Y96-F122 HydrophobicContact CE2-CE1 4.11Å; Y96-F122 HydrophobicContact CE2-CZ 4.26Å; Y96-F122 AromaticContact CG-CE1 3.83Å; Y96-F122 HydrophobicContact CG-CE1 3.83Å; Y96-F122 AromaticContact CZ-CE1 3.83Å; Y96-F122 AromaticContact CZ-CZ 3.59Å; Y96-Q128 VanDerWaalsContact CE1-OE1 3.24Å; Y96-Q128 PolarHBondContact OH-OE1 2.8Å | ||
| 97 | K | 89.3 | Confident | 96.4 | Very high | 184 Ų | 184 | 46 Ų | 46 | 80% | 0.8 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -77.9 | -25 | -176.8 | -65.8 | -177.5 | -179.2 | 177.9 | 0 | 113.9 | R71 | R71-K97 PolarHBondContact NH1-O 3.49Š|
| 98 | G | 86.4 | Confident | 96.4 | Very high | 61 Ų | 61 | 50.9 Ų | 50.9 | 63% | 0.629 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -99.7 | -98.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 99 | T | 91.8 | Very high | 96.3 | Very high | 31 Ų | 31 | 51.8 Ų | 51.8 | 19% | 0.19 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -77.1 | 155.9 | 176.8 | -175 | 0 | 0 | 0 | 0 | 111.9 | Y96 F122 S123 A124 | Y96-T99 VanDerWaalsContact CB-O 3.26Å; Y96-T99 WeakPolarHBondContact CB-O 3.44Å; T99-F122 HydrophobicContact CG2-CB 3.7Å; T99-F122 HydrophobicContact CG2-CD1 3.59Å; T99-F122 HydrophobicContact CG2-CE1 4.46Å; T99-F122 HydrophobicContact CG2-CG 3.78Å; T99-S123 PolarHBondContact OG1-N 3.25Å; T99-S123 PolarHBondContact OG1-OG 3.16Å; T99-A124 HydrophobicContact CG2-CB 4.37Å; T99-A124 WeakPolarHBondContact OG1-CB 3.47Å; T99-A124 PolarHBondContact OG1-N 3.24Å |
| 100 | Q | 95.1 | Very high | 96.2 | Very high | 46 Ų | 46 | 46.3 Ų | 46.3 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | trans | -106.3 | 140.2 | -176.4 | -73.2 | 174.8 | 48.2 | 0 | 0 | 110.1 | N46 R71 F122 S123 | N46-Q100 VanDerWaalsContact ND2-CB 3.3Å; N46-Q100 WeakPolarHBondContact ND2-CB 3.37Å; N46-Q100 PolarHBondContact ND2-O 2.86Å; R71-Q100 HydrophobicContact CG-CG 3.64Å; Q100-F122 WeakPolarHBondContact O-CA 3.44Å; Q100-S123 PolarHBondContact N-OG 3.3Å; Q100-S123 PolarHBondContact O-N 2.86Å | ||
| 101 | P | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 142.9 | 169.7 | -24.9 | 33.6 | 0 | 0 | 0 | 111.8 | N46 N68 G70 Y96 V120 G121 F122 | N46-P101 WeakPolarHBondContact CB-O 3.39Å; N46-P101 PolarHBondContact ND2-O 2.9Å; N68-P101 HydrophobicContact CB-CB 3.89Å; N68-P101 HydrophobicContact CB-CG 4.45Å; N68-P101 PolarHBondContact ND2-O 3.35Å; G70-P101 WeakPolarHBondContact O-CD 3.43Å; Y96-P101 HydrophobicContact CD2-CG 3.61Å; Y96-P101 HydrophobicContact CE2-CG 3.76Å; Y96-P101 HydrophobicContact CG-CG 4.44Å; P101-V120 HydrophobicContact CB-CG1 3.91Å; P101-V120 HydrophobicContact CG-CG1 4.25Å; P101-G121 CarbonylContact C-O 3.44Å; P101-G121 WeakPolarHBondContact CA-O 3.35Å; P101-F122 HydrophobicContact CB-CE1 4.49Å; P101-F122 HydrophobicContact CG-CD1 4.37Å; P101-F122 HydrophobicContact CG-CE1 3.88Å |
| 102 | T | 98.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | -32 | 177.1 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | N46 R49 G121 V183 | N46-T102 HydrophobicContact CB-CG2 4.31Å; N46-T102 VanDerWaalsContact ND2-CG2 3.31Å; N46-T102 WeakPolarHBondContact ND2-CG2 3.5Å; R49-T102 WeakPolarHBondContact CG-O 3.33Å; T102-G121 PolarHBondContact N-O 2.99Å; T102-G121 PolarHBondContact OG1-O 2.72Å; T102-V183 VanDerWaalsContact CB-O 3.27Å; T102-V183 WeakPolarHBondContact CB-O 3.41Å; T102-V183 PolarHBondContact OG1-O 3.44Å |
| 103 | C | 98.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 3% | 0.027 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 163.3 | -178 | 53.1 | 0 | 0 | 0 | 0 | 109.6 | G121 V186 | C103-G121 PolarHBondContact O-N 2.99Å; C103-V186 HydrophobicContact CB-CG2 4.46Å |
| 104 | H | 98.9 | Very high | 95.6 | Very high | 8 Ų | 8 | 48.6 Ų | 48.6 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 157.2 | 179.7 | 42.9 | 66.1 | 0 | 0 | 0 | 111.3 | R49 S51 N68 L118 L119 V120 | R49-H104 PolarHBondContact O-NE2 3.31Å; S51-H104 PolarHBondContact OG-CE1 3.19Å; S51-H104 PolarHBondContact OG-ND1 2.92Å; S51-H104 PolarHBondContact OG-O 3.27Å; N68-H104 PolarHBondContact OD1-NE2 3.2Å; H104-L118 HydrophobicContact CB-CD1 4.03Å; H104-L119 CarbonylContact C-O 3.52Å; H104-L119 WeakPolarHBondContact CA-O 3.48Å; H104-L119 WeakPolarHBondContact CB-O 3.31Å; H104-V120 HydrophobicContact CB-CG2 4.23Å |
| 105 | D | 98.9 | Very high | 95.5 | Very high | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 137.8 | -177.3 | -161.9 | 54.3 | 0 | 0 | 0 | 112.6 | L118 L119 V186 K187 W188 | D105-L118 WeakPolarHBondContact O-CD1 3.13Å; D105-L119 PolarHBondContact N-O 2.75Å; D105-L119 PolarHBondContact O-N 2.78Å; D105-V186 HydrophobicContact CB-CG2 4.36Å; D105-V186 WeakPolarHBondContact CB-O 3.36Å; D105-K187 HydrophobicContact CB-CD 4.1Å; D105-K187 WeakPolarHBondContact OD1-CD 3.24Å; D105-K187 IonicContact OD1-NZ 2.99Å; D105-K187 PolarHBondContact OD1-NZ 2.84Å; D105-K187 WeakPolarHBondContact OD2-CA 3.3Å; D105-K187 VanDerWaalsContact OD2-CD 3.29Å; D105-K187 WeakPolarHBondContact OD2-CD 3.36Å; D105-W188 PolarHBondContact O-NE1 2.67Å; D105-W188 PolarHBondContact OD2-N 2.99Å |
| 106 | F | 98.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 143 | 177.6 | -74.8 | -70.1 | 0 | 0 | 0 | 111 | V53 C66 F75 H108 V116 S117 L118 W188 | V53-F106 HydrophobicContact CB-CB 3.76Å; V53-F106 HydrophobicContact CB-CD1 4.17Å; V53-F106 HydrophobicContact CB-CD2 3.7Å; V53-F106 HydrophobicContact CB-CE2 4.31Å; V53-F106 HydrophobicContact CB-CG 3.62Å; V53-F106 HydrophobicContact CG1-CB 4.29Å; V53-F106 HydrophobicContact CG1-CD1 3.73Å; V53-F106 HydrophobicContact CG1-CD2 3.69Å; V53-F106 HydrophobicContact CG1-CE1 3.85Å; V53-F106 HydrophobicContact CG1-CE2 3.82Å; V53-F106 HydrophobicContact CG1-CG 3.64Å; V53-F106 HydrophobicContact CG1-CZ 3.9Å; V53-F106 HydrophobicContact CG2-CB 4.06Å; V53-F106 HydrophobicContact CG2-CG 4.32Å; C66-F106 HydrophobicContact CB-CE2 3.67Å; C66-F106 HydrophobicContact CB-CZ 3.57Å; F75-F106 HydrophobicContact CD2-CE1 4.44Å; F75-F106 AromaticContact CD2-CZ 3.87Å; F75-F106 HydrophobicContact CD2-CZ 3.87Å; F75-F106 AromaticContact CE2-CE1 3.83Å; F75-F106 HydrophobicContact CE2-CE1 3.83Å; F75-F106 AromaticContact CE2-CZ 3.47Å; F75-F106 HydrophobicContact CE2-CZ 3.47Å; F75-F106 VanDerWaalsContact CE2-CZ 3.47Å; F106-H108 PolarHBondContact O-CD2 3.31Å; F106-H108 VanDerWaalsContact O-CD2 3.31Å; F106-H108 PolarHBondContact O-N 3.38Å; F106-V116 HydrophobicContact CD1-CG2 3.65Å; F106-V116 HydrophobicContact CE1-CG1 4.31Å; F106-V116 HydrophobicContact CE1-CG2 4.05Å; F106-S117 WeakPolarHBondContact CA-O 3.48Å; F106-L118 HydrophobicContact CD1-CB 3.86Å; F106-L118 HydrophobicContact CD1-CD1 3.77Å; F106-L118 HydrophobicContact CD1-CG 4.28Å; F106-L118 HydrophobicContact CD2-CD1 4.3Å; F106-L118 HydrophobicContact CE1-CB 3.74Å; F106-L118 HydrophobicContact CE1-CD1 3.73Å; F106-L118 HydrophobicContact CE1-CD2 3.84Å; F106-L118 HydrophobicContact CE1-CG 3.97Å; F106-L118 HydrophobicContact CE2-CD1 4.25Å; F106-L118 HydrophobicContact CG-CD1 4.07Å; F106-L118 HydrophobicContact CZ-CD1 3.96Å; F106-L118 HydrophobicContact CZ-CD2 4Å; F106-L118 HydrophobicContact CZ-CG 4.43Å; F106-W188 VanDerWaalsContact O-CD1 3.27Å |
| 107 | N | 98.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | trans | -79.4 | 104.4 | 164.2 | -163.7 | -39.8 | 0 | 0 | 0 | 108.2 | L109 T110 A111 S117 W188 S192 E193 | N107-L109 VanDerWaalsContact C-N 3.29Å; N107-L109 VanDerWaalsContact OD1-CB 3.31Å; N107-L109 WeakPolarHBondContact OD1-CB 3.33Å; N107-L109 PolarHBondContact OD1-N 2.91Å; N107-T110 PolarHBondContact OD1-N 3.14Å; N107-A111 WeakPolarHBondContact O-CB 3.28Å; N107-A111 PolarHBondContact O-N 2.9Å; N107-S117 PolarHBondContact N-O 3.42Å; N107-W188 HydrophobicContact CB-CD2 3.75Å; N107-W188 HydrophobicContact CB-CE3 4.31Å; N107-W188 HydrophobicContact CB-CG 3.99Å; N107-W188 HydrophobicContact CB-CH2 4.43Å; N107-W188 HydrophobicContact CB-CZ2 3.93Å; N107-W188 VanDerWaalsContact N-CD1 3.34Å; N107-W188 VanDerWaalsContact N-NE1 3.17Å; N107-W188 WeakPolarHBondContact ND2-CZ3 3.21Å; N107-S192 PolarHBondContact ND2-O 2.87Å; N107-E193 PolarHBondContact ND2-O 3.15Å | ||
| 108 | H | 96.8 | Very high | 96.2 | Very high | 116 Ų | 116 | 34 Ų | 34 | 54% | 0.537 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -71.2 | -25.2 | 178.9 | -70.3 | -97 | 0 | 0 | 0 | 112.9 | F52 F106 | F52-H108 PolarHBondContact O-CE1 3.08Å; F52-H108 PolarHBondContact O-NE2 2.9Å; F106-H108 PolarHBondContact O-CD2 3.31Å; F106-H108 VanDerWaalsContact O-CD2 3.31Å; F106-H108 PolarHBondContact O-N 3.38Å |
| 109 | L | 96.8 | Very high | 96.8 | Very high | 97 Ų | 97 | 31.1 Ų | 31.1 | 51% | 0.508 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -72.8 | -40.7 | -177.4 | -178.5 | 62.7 | 0 | 0 | 0 | 111.7 | N107 G191 E193 | N107-L109 VanDerWaalsContact C-N 3.29Å; N107-L109 VanDerWaalsContact OD1-CB 3.31Å; N107-L109 WeakPolarHBondContact OD1-CB 3.33Å; N107-L109 PolarHBondContact OD1-N 2.91Å; L109-G191 WeakPolarHBondContact CD2-O 3.28Å; L109-E193 HydrophobicContact CD2-CG 3.65Å; L109-E193 HydrophobicContact CG-CG 4.28Å |
| 110 | T | 96.1 | Very high | 97.1 | Very high | 39 Ų | 39 | 29.7 Ų | 29.7 | 24% | 0.239 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -95.8 | 6.9 | -177 | 71.2 | 0 | 0 | 0 | 0 | 113.3 | N107 E193 | N107-T110 PolarHBondContact OD1-N 3.14Å; T110-E193 HydrophobicContact CG2-CB 3.76Å; T110-E193 HydrophobicContact CG2-CG 3.69Å |
| 111 | A | 96.4 | Very high | 97.3 | Very high | 8 Ų | 8 | 27.5 Ų | 27.5 | 7% | 0.066 | 15% | 0.153 | C | C | . | . | trans | -75 | 128.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V53 L55 N107 V116 | V53-A111 HydrophobicContact CG2-CB 3.57Å; L55-A111 HydrophobicContact CD2-CB 4.07Å; N107-A111 WeakPolarHBondContact O-CB 3.28Å; N107-A111 PolarHBondContact O-N 2.9Å; A111-V116 HydrophobicContact CB-CG2 4.1Å | ||
| 112 | T | 94.8 | Very high | 97.3 | Very high | 57 Ų | 57 | 27.7 Ų | 27.7 | 35% | 0.35 | 15% | 0.154 | S | C | . | . | trans | -140.1 | 168.7 | 179.3 | 60.1 | 0 | 0 | 0 | 0 | 110.3 | L55 E114 S115 | L55-T112 WeakPolarHBondContact CD2-O 3.45Å; T112-E114 PolarHBondContact O-N 2.92Å; T112-S115 PolarHBondContact N-O 3.01Å; T112-S115 PolarHBondContact O-N 3.24Å; T112-S115 VanDerWaalsContact O-O 3.09Å; T112-S115 PolarHBondContact OG1-N 2.84Å; T112-S115 VanDerWaalsContact OG1-N 3.08Å; T112-S115 PolarHBondContact OG1-O 2.83Å | ||
| 113 | A | 92.8 | Very high | 97.1 | Very high | 39 Ų | 39 | 29.6 Ų | 29.6 | 32% | 0.322 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -61.2 | -29 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 114 | E | 92.7 | Very high | 96.9 | Very high | 128 Ų | 128 | 29.8 Ų | 29.8 | 60% | 0.598 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -91.8 | -24.9 | -176.4 | -60.9 | 73.6 | -159.8 | 0 | 0 | 113.5 | T112 I133 K134 | T112-E114 PolarHBondContact O-N 2.92Å; E114-I133 WeakPolarHBondContact O-CG2 3.46Å; E114-K134 WeakPolarHBondContact O-CE 3.46Å; E114-K134 WeakPolarHBondContact O-CG 3.5Å |
| 115 | S | 94.9 | Very high | 96.8 | Very high | 29 Ų | 29 | 29.4 Ų | 29.4 | 20% | 0.203 | 17% | 0.168 | C | C | . | . | trans | -152.4 | 137.5 | -169.8 | -147.7 | 0 | 0 | 0 | 0 | 111.1 | T112 D131 K134 | T112-S115 PolarHBondContact N-O 3.01Å; T112-S115 PolarHBondContact O-N 3.24Å; T112-S115 VanDerWaalsContact O-O 3.09Å; T112-S115 PolarHBondContact OG1-N 2.84Å; T112-S115 VanDerWaalsContact OG1-N 3.08Å; T112-S115 PolarHBondContact OG1-O 2.83Å; S115-D131 VanDerWaalsContact CA-OD2 3.29Å; S115-D131 WeakPolarHBondContact CA-OD2 3.38Å; S115-D131 WeakPolarHBondContact CB-OD2 3.04Å; S115-D131 PolarHBondContact OG-OD2 3.49Å; S115-K134 WeakPolarHBondContact OG-CE 3.26Å; S115-K134 PolarHBondContact OG-NZ 3.11Å; S115-K134 VanDerWaalsContact OG-NZ 3.15Å | ||
| 116 | V | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -145.1 | 128.4 | 174.1 | 70.4 | 0 | 0 | 0 | 0 | 111.1 | V53 L55 F75 F106 A111 D131 P132 I133 | V53-V116 HydrophobicContact CG1-CG2 4.09Å; V53-V116 HydrophobicContact CG2-CG2 4.26Å; L55-V116 HydrophobicContact CD2-CB 4.18Å; L55-V116 HydrophobicContact CD2-CG2 4.11Å; F75-V116 HydrophobicContact CZ-CG1 4.08Å; F106-V116 HydrophobicContact CD1-CG2 3.65Å; F106-V116 HydrophobicContact CE1-CG1 4.31Å; F106-V116 HydrophobicContact CE1-CG2 4.05Å; A111-V116 HydrophobicContact CB-CG2 4.1Å; V116-D131 PolarHBondContact N-OD2 3.45Å; V116-D131 VanDerWaalsContact N-OD2 3.15Å; V116-D131 WeakPolarHBondContact O-CA 3.49Å; V116-P132 HydrophobicContact CG1-CG 3.65Å; V116-P132 WeakPolarHBondContact O-CD 3.28Å; V116-I133 HydrophobicContact CB-CD1 3.96Å; V116-I133 HydrophobicContact CG1-CD1 3.6Å; V116-I133 HydrophobicContact CG1-CG1 3.81Å | ||
| 117 | S | 98.4 | Very high | 96.7 | Very high | 30 Ų | 30 | 29.3 Ų | 29.3 | 21% | 0.21 | 17% | 0.167 | C | C | . | . | trans | -88 | 117.9 | 179.3 | -66 | 0 | 0 | 0 | 0 | 110.3 | F106 N107 | F106-S117 WeakPolarHBondContact CA-O 3.48Å; N107-S117 PolarHBondContact N-O 3.42Å | ||
| 118 | L | 98.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 120.5 | 178.3 | 175.5 | 59.7 | 0 | 0 | 0 | 110.4 | C66 H104 D105 F106 V120 L129 I130 P132 | C66-L118 HydrophobicContact CB-CD2 4.28Å; H104-L118 HydrophobicContact CB-CD1 4.03Å; D105-L118 WeakPolarHBondContact O-CD1 3.13Å; F106-L118 HydrophobicContact CD1-CB 3.86Å; F106-L118 HydrophobicContact CD1-CD1 3.77Å; F106-L118 HydrophobicContact CD1-CG 4.28Å; F106-L118 HydrophobicContact CD2-CD1 4.3Å; F106-L118 HydrophobicContact CE1-CB 3.74Å; F106-L118 HydrophobicContact CE1-CD1 3.73Å; F106-L118 HydrophobicContact CE1-CD2 3.84Å; F106-L118 HydrophobicContact CE1-CG 3.97Å; F106-L118 HydrophobicContact CE2-CD1 4.25Å; F106-L118 HydrophobicContact CG-CD1 4.07Å; F106-L118 HydrophobicContact CZ-CD1 3.96Å; F106-L118 HydrophobicContact CZ-CD2 4Å; F106-L118 HydrophobicContact CZ-CG 4.43Å; L118-V120 HydrophobicContact CG-CG2 4.18Å; L118-L129 WeakPolarHBondContact O-CA 3.46Å; L118-I130 HydrophobicContact CB-CG1 3.91Å; L118-I130 HydrophobicContact CD2-CD1 3.93Å; L118-I130 HydrophobicContact CD2-CG1 4.09Å; L118-I130 HydrophobicContact CG-CD1 4.41Å; L118-I130 HydrophobicContact CG-CG1 4.1Å; L118-I130 PolarHBondContact N-O 2.83Å; L118-I130 PolarHBondContact O-N 3.33Å; L118-P132 HydrophobicContact CD2-CG 4.45Å |
| 119 | L | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 139.7 | 170.2 | -68 | 169.1 | 0 | 0 | 0 | 110.1 | H104 D105 V127 Q128 L129 V186 W188 F196 | H104-L119 CarbonylContact C-O 3.52Å; H104-L119 WeakPolarHBondContact CA-O 3.48Å; H104-L119 WeakPolarHBondContact CB-O 3.31Å; D105-L119 PolarHBondContact N-O 2.75Å; D105-L119 PolarHBondContact O-N 2.78Å; L119-V127 HydrophobicContact CB-CG1 4.39Å; L119-V127 HydrophobicContact CD2-CG1 4Å; L119-Q128 CarbonylContact C-O 3.46Å; L119-Q128 WeakPolarHBondContact CA-O 3.46Å; L119-L129 HydrophobicContact CD2-CB 4.02Å; L119-L129 HydrophobicContact CD2-CD1 4Å; L119-L129 HydrophobicContact CG-CD1 4.45Å; L119-V186 HydrophobicContact CB-CG2 4.45Å; L119-W188 HydrophobicContact CD1-CD2 3.76Å; L119-W188 HydrophobicContact CD1-CE3 4.38Å; L119-W188 HydrophobicContact CD1-CG 4.15Å; L119-W188 HydrophobicContact CD1-CH2 4.39Å; L119-W188 HydrophobicContact CD1-CZ2 3.73Å; L119-W188 HydrophobicContact CD2-CZ2 4.11Å; L119-W188 HydrophobicContact CG-CD2 4.47Å; L119-W188 HydrophobicContact CG-CH2 4.4Å; L119-W188 HydrophobicContact CG-CZ2 3.56Å; L119-F196 HydrophobicContact CD1-CB 3.35Å; L119-F196 HydrophobicContact CD1-CD1 4.01Å; L119-F196 HydrophobicContact CD1-CD2 3.64Å; L119-F196 HydrophobicContact CD1-CE2 4.38Å; L119-F196 HydrophobicContact CD1-CG 3.41Å; L119-F196 VanDerWaalsContact CD1-CG 3.41Å; L119-F196 HydrophobicContact CD2-CD1 4.25Å; L119-F196 HydrophobicContact CD2-CD2 4.25Å; L119-F196 HydrophobicContact CD2-CE1 4.19Å; L119-F196 HydrophobicContact CD2-CE2 4.19Å; L119-F196 HydrophobicContact CD2-CG 4.27Å; L119-F196 HydrophobicContact CD2-CZ 4.14Å |
| 120 | V | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 117.1 | 176.8 | -173.3 | 0 | 0 | 0 | 0 | 109.1 | L73 P101 H104 L118 F122 V127 Q128 I130 | L73-V120 HydrophobicContact CD2-CG2 3.86Å; P101-V120 HydrophobicContact CB-CG1 3.91Å; P101-V120 HydrophobicContact CG-CG1 4.25Å; H104-V120 HydrophobicContact CB-CG2 4.23Å; L118-V120 HydrophobicContact CG-CG2 4.18Å; V120-F122 HydrophobicContact CB-CE2 4.02Å; V120-F122 HydrophobicContact CB-CZ 4.12Å; V120-F122 HydrophobicContact CG1-CE1 4.21Å; V120-F122 HydrophobicContact CG1-CE2 3.87Å; V120-F122 HydrophobicContact CG1-CZ 3.65Å; V120-F122 WeakPolarHBondContact O-CD2 3.3Å; V120-F122 WeakPolarHBondContact O-CE2 3.29Å; V120-V127 CarbonylContact O-C 3.53Å; V120-V127 VanDerWaalsContact O-CA 3.27Å; V120-V127 WeakPolarHBondContact O-CA 3.33Å; V120-Q128 PolarHBondContact N-O 3.29Å; V120-Q128 PolarHBondContact O-N 3.49Å; V120-I130 HydrophobicContact CG2-CD1 4.1Å; V120-I130 HydrophobicContact CG2-CG1 4.41Å |
| 121 | G | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 149.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P101 T102 C103 | P101-G121 CarbonylContact C-O 3.44Å; P101-G121 WeakPolarHBondContact CA-O 3.35Å; T102-G121 PolarHBondContact N-O 2.99Å; T102-G121 PolarHBondContact OG1-O 2.72Å; C103-G121 PolarHBondContact O-N 2.99Å |
| 122 | F | 98.1 | Very high | 96.9 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.018 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 158.6 | -173.2 | -68 | -86.5 | 0 | 0 | 0 | 114.3 | Y96 T99 Q100 P101 V120 A124 G125 Q126 Q128 V183 | Y96-F122 AromaticContact CD1-CE1 3.55Å; Y96-F122 HydrophobicContact CD1-CE1 3.55Å; Y96-F122 AromaticContact CD1-CZ 3.89Å; Y96-F122 HydrophobicContact CD1-CZ 3.89Å; Y96-F122 HydrophobicContact CD2-CE1 4.11Å; Y96-F122 AromaticContact CE1-CE1 3.55Å; Y96-F122 HydrophobicContact CE1-CE1 3.55Å; Y96-F122 AromaticContact CE1-CZ 3.38Å; Y96-F122 HydrophobicContact CE1-CZ 3.38Å; Y96-F122 HydrophobicContact CE2-CE1 4.11Å; Y96-F122 HydrophobicContact CE2-CZ 4.26Å; Y96-F122 AromaticContact CG-CE1 3.83Å; Y96-F122 HydrophobicContact CG-CE1 3.83Å; Y96-F122 AromaticContact CZ-CE1 3.83Å; Y96-F122 AromaticContact CZ-CZ 3.59Å; T99-F122 HydrophobicContact CG2-CB 3.7Å; T99-F122 HydrophobicContact CG2-CD1 3.59Å; T99-F122 HydrophobicContact CG2-CE1 4.46Å; T99-F122 HydrophobicContact CG2-CG 3.78Å; Q100-F122 WeakPolarHBondContact O-CA 3.44Å; P101-F122 HydrophobicContact CB-CE1 4.49Å; P101-F122 HydrophobicContact CG-CD1 4.37Å; P101-F122 HydrophobicContact CG-CE1 3.88Å; V120-F122 HydrophobicContact CB-CE2 4.02Å; V120-F122 HydrophobicContact CB-CZ 4.12Å; V120-F122 HydrophobicContact CG1-CE1 4.21Å; V120-F122 HydrophobicContact CG1-CE2 3.87Å; V120-F122 HydrophobicContact CG1-CZ 3.65Å; V120-F122 WeakPolarHBondContact O-CD2 3.3Å; V120-F122 WeakPolarHBondContact O-CE2 3.29Å; F122-A124 PolarHBondContact O-N 2.52Å; F122-A124 VanDerWaalsContact O-N 3.16Å; F122-G125 PolarHBondContact O-N 3.1Å; F122-G125 VanDerWaalsContact O-N 3.09Å; F122-Q126 HydrophobicContact CB-CB 4.47Å; F122-Q126 HydrophobicContact CD2-CB 4.27Å; F122-Q126 WeakPolarHBondContact CD2-O 3.3Å; F122-Q126 PolarHBondContact N-O 2.8Å; F122-Q128 HydrophobicContact CE2-CB 3.59Å; F122-Q128 HydrophobicContact CZ-CB 4.17Å; F122-V183 PolarHBondContact O-N 3.09Å |
| 123 | S | 96.3 | Very high | 97 | Very high | 43 Ų | 43 | 17.6 Ų | 17.6 | 30% | 0.301 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -17.1 | 179.6 | 60.7 | 0 | 0 | 0 | 0 | 114.7 | T99 Q100 R182 | T99-S123 PolarHBondContact OG1-N 3.25Å; T99-S123 PolarHBondContact OG1-OG 3.16Å; Q100-S123 PolarHBondContact N-OG 3.3Å; Q100-S123 PolarHBondContact O-N 2.86Å; S123-R182 VanDerWaalsContact O-CA 3.3Å; S123-R182 WeakPolarHBondContact O-CA 3.43Å; S123-R182 WeakPolarHBondContact O-CB 3.44Å |
| 124 | A | 94.3 | Very high | 97 | Very high | 9 Ų | 9 | 20.6 Ų | 20.6 | 7% | 0.074 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 5.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T99 F122 R176 | T99-A124 HydrophobicContact CG2-CB 4.37Å; T99-A124 WeakPolarHBondContact OG1-CB 3.47Å; T99-A124 PolarHBondContact OG1-N 3.24Å; F122-A124 PolarHBondContact O-N 2.52Å; F122-A124 VanDerWaalsContact O-N 3.16Å; A124-R176 VanDerWaalsContact O-CD 3.3Å; A124-R176 WeakPolarHBondContact O-CD 3.21Å |
| 125 | G | 96.1 | Very high | 97 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | S | Bend | trans | 94.6 | -4.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F122 N142 S181 H200 | F122-G125 PolarHBondContact O-N 3.1Å; F122-G125 VanDerWaalsContact O-N 3.09Å; G125-N142 PolarHBondContact O-ND2 2.85Å; G125-S181 WeakPolarHBondContact CA-O 3.24Å; G125-H200 PolarHBondContact O-CE1 3.01Å |
| 126 | Q | 96.3 | Very high | 96.5 | Very high | 10 Ų | 10 | 26.4 Ų | 26.4 | 5% | 0.047 | 13% | 0.131 | C | C | . | . | trans | -75.4 | 159.8 | 173.9 | -56.9 | 96.1 | -24.5 | 0 | 0 | 111.7 | F122 F141 E143 V183 | F122-Q126 HydrophobicContact CB-CB 4.47Å; F122-Q126 HydrophobicContact CD2-CB 4.27Å; F122-Q126 WeakPolarHBondContact CD2-O 3.3Å; F122-Q126 PolarHBondContact N-O 2.8Å; Q126-F141 WeakPolarHBondContact CA-O 3.38Å; Q126-E143 HydrophobicContact CG-CB 4.28Å; Q126-V183 WeakPolarHBondContact O-CG2 3.48Å | ||
| 127 | V | 98.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137.2 | 165.3 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | L119 V120 F141 V183 V186 F196 V198 | L119-V127 HydrophobicContact CB-CG1 4.39Å; L119-V127 HydrophobicContact CD2-CG1 4Å; V120-V127 CarbonylContact O-C 3.53Å; V120-V127 VanDerWaalsContact O-CA 3.27Å; V120-V127 WeakPolarHBondContact O-CA 3.33Å; V127-F141 HydrophobicContact CB-CB 4.32Å; V127-F141 PolarHBondContact N-O 2.89Å; V127-F141 VanDerWaalsContact N-O 3.16Å; V127-F141 PolarHBondContact O-N 3.43Å; V127-V183 HydrophobicContact CG2-CG2 4.19Å; V127-V186 HydrophobicContact CG2-CG1 4.18Å; V127-F196 HydrophobicContact CG1-CE2 4.03Å; V127-V198 HydrophobicContact CG2-CB 4.48Å; V127-V198 HydrophobicContact CG2-CG1 3.76Å; V127-V198 HydrophobicContact CG2-CG2 3.84Å |
| 128 | Q | 97.9 | Very high | 95.6 | Very high | 14 Ų | 14 | 31.1 Ų | 31.1 | 7% | 0.065 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 130.1 | 174.6 | -168.2 | -176.1 | 24.7 | 0 | 0 | 109.5 | Y96 L119 V120 F122 I130 S138 K139 L140 | Y96-Q128 VanDerWaalsContact CE1-OE1 3.24Å; Y96-Q128 PolarHBondContact OH-OE1 2.8Å; L119-Q128 CarbonylContact C-O 3.46Å; L119-Q128 WeakPolarHBondContact CA-O 3.46Å; V120-Q128 PolarHBondContact N-O 3.29Å; V120-Q128 PolarHBondContact O-N 3.49Å; F122-Q128 HydrophobicContact CE2-CB 3.59Å; F122-Q128 HydrophobicContact CZ-CB 4.17Å; Q128-I130 HydrophobicContact CB-CG2 4.43Å; Q128-I130 VanDerWaalsContact CD-CG2 3.41Å; Q128-I130 HydrophobicContact CG-CG2 3.55Å; Q128-S138 PolarHBondContact NE2-OG 2.82Å; Q128-K139 CarbonylContact C-O 3.44Å; Q128-K139 WeakPolarHBondContact CA-O 3.4Å; Q128-L140 HydrophobicContact CB-CD2 3.69Å; Q128-L140 HydrophobicContact CG-CD2 3.68Å; Q128-L140 HydrophobicContact CG-CG 4.17Å |
| 129 | L | 98.5 | Very high | 95.4 | Very high | 8 Ų | 8 | 33.8 Ų | 33.8 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.5 | 164.7 | 174 | 66.6 | 0 | 0 | 0 | 108.7 | L118 L119 S138 K139 F141 W188 V210 | L118-L129 WeakPolarHBondContact O-CA 3.46Å; L119-L129 HydrophobicContact CD2-CB 4.02Å; L119-L129 HydrophobicContact CD2-CD1 4Å; L119-L129 HydrophobicContact CG-CD1 4.45Å; L129-S138 CarbonylContact O-C 3.59Å; L129-S138 VanDerWaalsContact O-CA 3.3Å; L129-S138 WeakPolarHBondContact O-CA 3.08Å; L129-K139 HydrophobicContact CB-CB 4.3Å; L129-K139 PolarHBondContact N-O 2.89Å; L129-K139 PolarHBondContact O-N 3.19Å; L129-F141 HydrophobicContact CB-CE2 3.89Å; L129-W188 HydrophobicContact CD1-CH2 4.09Å; L129-W188 HydrophobicContact CD1-CZ2 3.79Å; L129-V210 HydrophobicContact CD2-CG1 3.54Å; L129-V210 HydrophobicContact CD2-CG2 4.17Å |
| 130 | I | 98.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 150.3 | 178.4 | 67.3 | 176.2 | 0 | 0 | 0 | 110.7 | L73 L118 V120 Q128 T137 | L73-I130 HydrophobicContact CD2-CD1 3.81Å; L118-I130 HydrophobicContact CB-CG1 3.91Å; L118-I130 HydrophobicContact CD2-CD1 3.93Å; L118-I130 HydrophobicContact CD2-CG1 4.09Å; L118-I130 HydrophobicContact CG-CD1 4.41Å; L118-I130 HydrophobicContact CG-CG1 4.1Å; L118-I130 PolarHBondContact N-O 2.83Å; L118-I130 PolarHBondContact O-N 3.33Å; V120-I130 HydrophobicContact CG2-CD1 4.1Å; V120-I130 HydrophobicContact CG2-CG1 4.41Å; Q128-I130 HydrophobicContact CB-CG2 4.43Å; Q128-I130 VanDerWaalsContact CD-CG2 3.41Å; Q128-I130 HydrophobicContact CG-CG2 3.55Å; I130-T137 WeakPolarHBondContact CA-O 3.37Å |
| 131 | D | 98.1 | Very high | 95 | Very high | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | trans | -108.5 | 106.2 | 161.5 | -172 | -37.4 | 0 | 0 | 0 | 108.6 | S115 V116 I133 K134 K135 T137 | S115-D131 VanDerWaalsContact CA-OD2 3.29Å; S115-D131 WeakPolarHBondContact CA-OD2 3.38Å; S115-D131 WeakPolarHBondContact CB-OD2 3.04Å; S115-D131 PolarHBondContact OG-OD2 3.49Å; V116-D131 PolarHBondContact N-OD2 3.45Å; V116-D131 VanDerWaalsContact N-OD2 3.15Å; V116-D131 WeakPolarHBondContact O-CA 3.49Å; D131-I133 VanDerWaalsContact C-N 3.3Å; D131-I133 PolarHBondContact O-N 2.86Å; D131-I133 WeakPolarHBondContact OD1-CA 3.34Å; D131-I133 WeakPolarHBondContact OD1-CB 3.27Å; D131-I133 PolarHBondContact OD1-N 2.91Å; D131-K134 HydrophobicContact CB-CB 4.36Å; D131-K134 PolarHBondContact OD1-N 3.01Å; D131-K135 WeakPolarHBondContact O-CA 3.39Å; D131-K135 PolarHBondContact O-N 3.29Å; D131-T137 PolarHBondContact N-O 3.4Å | ||
| 132 | P | 97.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -12.9 | -178.6 | 32.3 | -36.1 | 0 | 0 | 0 | 113.7 | F75 D92 V116 L118 | F75-P132 HydrophobicContact CB-CB 4.14Å; F75-P132 HydrophobicContact CD1-CB 3.54Å; F75-P132 HydrophobicContact CD1-CG 3.74Å; F75-P132 HydrophobicContact CD2-CB 4.41Å; F75-P132 HydrophobicContact CD2-CG 4.07Å; F75-P132 HydrophobicContact CE1-CB 3.96Å; F75-P132 HydrophobicContact CE1-CG 3.7Å; F75-P132 HydrophobicContact CE2-CG 4.01Å; F75-P132 HydrophobicContact CG-CB 3.79Å; F75-P132 HydrophobicContact CG-CG 3.93Å; F75-P132 HydrophobicContact CZ-CG 3.83Å; D92-P132 HydrophobicContact CB-CB 3.84Å; D92-P132 WeakPolarHBondContact CB-O 3.16Å; V116-P132 HydrophobicContact CG1-CG 3.65Å; V116-P132 WeakPolarHBondContact O-CD 3.28Å; L118-P132 HydrophobicContact CD2-CG 4.45Å |
| 133 | I | 95.6 | Very high | 94 | Very high | 45 Ų | 45 | 40.5 Ų | 40.5 | 23% | 0.231 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -55.9 | 175.6 | -62.1 | 171.7 | 0 | 0 | 0 | 109.1 | L55 F75 E114 V116 D131 | L55-I133 HydrophobicContact CD1-CD1 3.58Å; L55-I133 HydrophobicContact CD2-CD1 4.41Å; F75-I133 HydrophobicContact CE1-CG1 3.85Å; F75-I133 HydrophobicContact CZ-CG1 4.27Å; E114-I133 WeakPolarHBondContact O-CG2 3.46Å; V116-I133 HydrophobicContact CB-CD1 3.96Å; V116-I133 HydrophobicContact CG1-CD1 3.6Å; V116-I133 HydrophobicContact CG1-CG1 3.81Å; D131-I133 VanDerWaalsContact C-N 3.3Å; D131-I133 PolarHBondContact O-N 2.86Å; D131-I133 WeakPolarHBondContact OD1-CA 3.34Å; D131-I133 WeakPolarHBondContact OD1-CB 3.27Å; D131-I133 PolarHBondContact OD1-N 2.91Å |
| 134 | K | 93.8 | Very high | 92.5 | Very high | 103 Ų | 103 | 40.4 Ų | 40.4 | 45% | 0.448 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -33.5 | 179.8 | -66.9 | -174.5 | 175.1 | 162.1 | 0 | 113.2 | E114 S115 D131 E136 | E114-K134 WeakPolarHBondContact O-CE 3.46Å; E114-K134 WeakPolarHBondContact O-CG 3.5Å; S115-K134 WeakPolarHBondContact OG-CE 3.26Å; S115-K134 PolarHBondContact OG-NZ 3.11Å; S115-K134 VanDerWaalsContact OG-NZ 3.15Å; D131-K134 HydrophobicContact CB-CB 4.36Å; D131-K134 PolarHBondContact OD1-N 3.01Å; K134-E136 PolarHBondContact O-N 3.07Å; K134-E136 VanDerWaalsContact O-N 3.07Å |
| 135 | K | 92.5 | Very high | 90.4 | Very high | 107 Ų | 107 | 45.5 Ų | 45.5 | 47% | 0.465 | 23% | 0.228 | S | C | . | . | trans | 62.7 | 5.9 | -177.5 | -49.3 | -175.6 | -175.9 | -161 | 0 | 115.9 | I91 D92 D131 | I91-K135 WeakPolarHBondContact O-CE 3.15Å; I91-K135 PolarHBondContact O-NZ 2.73Å; D92-K135 WeakPolarHBondContact OD1-CE 3.09Å; D92-K135 IonicContact OD1-NZ 3.12Å; D92-K135 PolarHBondContact OD1-NZ 3.03Å; D92-K135 VanDerWaalsContact OD1-NZ 3.12Å; D131-K135 WeakPolarHBondContact O-CA 3.39Å; D131-K135 PolarHBondContact O-N 3.29Å | ||
| 136 | E | 83.9 | Confident | 87.9 | Confident | 171 Ų | 171 | 46.5 Ų | 46.5 | 80% | 0.799 | 24% | 0.235 | S | C | * | . | trans | -87.9 | -32.6 | 178.8 | -67.6 | 173.3 | 179.5 | 0 | 0 | 112.1 | K134 | K134-E136 PolarHBondContact O-N 3.07Å; K134-E136 VanDerWaalsContact O-N 3.07Å | ||
| 137 | T | 85.6 | Confident | 85.2 | Confident | 64 Ų | 64 | 49.6 Ų | 49.6 | 39% | 0.393 | 26% | 0.257 | S | S | . | . | trans | -84.2 | 124 | -177.5 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | I130 D131 | I130-T137 WeakPolarHBondContact CA-O 3.37Å; D131-T137 PolarHBondContact N-O 3.4Å | ||
| 138 | S | 91.3 | Very high | 82.5 | Confident | 66 Ų | 66 | 53.8 Ų | 53.8 | 46% | 0.462 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 95.6 | 169.9 | 174.9 | 0 | 0 | 0 | 0 | 110 | Q128 L129 | Q128-S138 PolarHBondContact NE2-OG 2.82Å; L129-S138 CarbonylContact O-C 3.59Å; L129-S138 VanDerWaalsContact O-CA 3.3Å; L129-S138 WeakPolarHBondContact O-CA 3.08Å |
| 139 | K | 94.7 | Very high | 79.7 | Confident | 57 Ų | 57 | 57.9 Ų | 57.9 | 25% | 0.248 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.5 | 176.3 | -175.4 | 168.5 | 178.4 | 167.8 | 0 | 110.2 | Q128 L129 F141 V210 E211 H212 | Q128-K139 CarbonylContact C-O 3.44Å; Q128-K139 WeakPolarHBondContact CA-O 3.4Å; L129-K139 HydrophobicContact CB-CB 4.3Å; L129-K139 PolarHBondContact N-O 2.89Å; L129-K139 PolarHBondContact O-N 3.19Å; K139-F141 HydrophobicContact CB-CE2 4.26Å; K139-F141 HydrophobicContact CD-CE1 4.26Å; K139-F141 HydrophobicContact CD-CE2 4.26Å; K139-F141 HydrophobicContact CD-CZ 3.71Å; K139-F141 HydrophobicContact CG-CE1 4.5Å; K139-F141 HydrophobicContact CG-CE2 3.91Å; K139-F141 HydrophobicContact CG-CZ 3.87Å; K139-V210 WeakPolarHBondContact CE-O 3.4Å; K139-V210 PolarHBondContact NZ-O 3.18Å; K139-E211 PolarHBondContact NZ-O 2.83Å; K139-H212 WeakPolarHBondContact CE-O 3.48Å; K139-H212 PolarHBondContact NZ-O 2.89Å |
| 140 | L | 94.2 | Very high | 77 | Confident | 77 Ų | 77 | 62 Ų | 62 | 40% | 0.403 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 137.9 | 179.9 | -73.1 | 150.2 | 0 | 0 | 0 | 110.2 | Q128 E143 | Q128-L140 HydrophobicContact CB-CD2 3.69Å; Q128-L140 HydrophobicContact CG-CD2 3.68Å; Q128-L140 HydrophobicContact CG-CG 4.17Å; L140-E143 HydrophobicContact CB-CB 4.32Å; L140-E143 VanDerWaalsContact CB-OE2 3.28Å; L140-E143 WeakPolarHBondContact CB-OE2 3.43Å; L140-E143 WeakPolarHBondContact CD1-OE2 3.4Å; L140-E143 WeakPolarHBondContact CD2-OE2 3.48Å; L140-E143 WeakPolarHBondContact CG-OE2 3.32Å |
| 141 | F | 95.6 | Very high | 74.4 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 0% | 0.004 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 145.6 | 178.9 | -57.9 | -95.5 | 0 | 0 | 0 | 109.3 | Q126 V127 L129 K139 E143 F196 Y208 | Q126-F141 WeakPolarHBondContact CA-O 3.38Å; V127-F141 HydrophobicContact CB-CB 4.32Å; V127-F141 PolarHBondContact N-O 2.89Å; V127-F141 VanDerWaalsContact N-O 3.16Å; V127-F141 PolarHBondContact O-N 3.43Å; L129-F141 HydrophobicContact CB-CE2 3.89Å; K139-F141 HydrophobicContact CB-CE2 4.26Å; K139-F141 HydrophobicContact CD-CE1 4.26Å; K139-F141 HydrophobicContact CD-CE2 4.26Å; K139-F141 HydrophobicContact CD-CZ 3.71Å; K139-F141 HydrophobicContact CG-CE1 4.5Å; K139-F141 HydrophobicContact CG-CE2 3.91Å; K139-F141 HydrophobicContact CG-CZ 3.87Å; F141-E143 VanDerWaalsContact C-N 3.28Å; F141-E143 PolarHBondContact O-N 2.97Å; F141-F196 HydrophobicContact CD1-CE1 4.49Å; F141-F196 AromaticContact CD1-CZ 3.94Å; F141-F196 HydrophobicContact CD1-CZ 3.94Å; F141-F196 AromaticContact CD2-CZ 3.91Å; F141-F196 HydrophobicContact CD2-CZ 3.91Å; F141-F196 HydrophobicContact CE1-CE1 4.04Å; F141-F196 AromaticContact CE1-CZ 3.94Å; F141-F196 HydrophobicContact CE1-CZ 3.94Å; F141-F196 HydrophobicContact CE2-CE1 4.21Å; F141-F196 AromaticContact CE2-CZ 3.91Å; F141-F196 HydrophobicContact CE2-CZ 3.91Å; F141-F196 AromaticContact CG-CZ 3.93Å; F141-F196 HydrophobicContact CG-CZ 3.93Å; F141-F196 AromaticContact CZ-CE1 3.89Å; F141-F196 HydrophobicContact CZ-CE1 3.89Å; F141-F196 AromaticContact CZ-CZ 3.93Å; F141-F196 HydrophobicContact CZ-CZ 3.93Å; F141-Y208 HydrophobicContact CB-CD1 4.31Å; F141-Y208 HydrophobicContact CB-CE1 4.19Å; F141-Y208 AromaticContact CD1-CD1 3.89Å; F141-Y208 HydrophobicContact CD1-CD1 3.89Å; F141-Y208 HydrophobicContact CD1-CE1 4.49Å; F141-Y208 HydrophobicContact CG-CD1 4.44Å |
| 142 | N | 92.6 | Very high | 71.7 | Confident | 4 Ų | 4 | 74.9 Ų | 74.9 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | S | Bend | trans | 56.5 | 40.8 | -172.2 | -172.6 | 32.3 | 0 | 0 | 0 | 113 | G125 L177 I178 D179 C214 | G125-N142 PolarHBondContact O-ND2 2.85Å; N142-L177 PolarHBondContact OD1-N 3.48Å; N142-I178 HydrophobicContact CB-CB 4.37Å; N142-I178 HydrophobicContact CB-CD1 4.12Å; N142-I178 WeakPolarHBondContact OD1-CB 3.48Å; N142-I178 PolarHBondContact OD1-N 2.91Å; N142-D179 PolarHBondContact ND2-O 3.1Å; N142-C214 PolarHBondContact N-SG 2.8Å |
| 143 | E | 82.4 | Confident | 69.2 | Low | 63 Ų | 63 | 78.7 Ų | 78.7 | 29% | 0.294 | 39% | 0.391 | S | S | . | . | trans | -135.1 | 131.7 | 174.2 | -173.6 | 167 | -158 | 0 | 0 | 109.8 | Q126 L140 F141 V174 | Q126-E143 HydrophobicContact CG-CB 4.28Å; L140-E143 HydrophobicContact CB-CB 4.32Å; L140-E143 VanDerWaalsContact CB-OE2 3.28Å; L140-E143 WeakPolarHBondContact CB-OE2 3.43Å; L140-E143 WeakPolarHBondContact CD1-OE2 3.4Å; L140-E143 WeakPolarHBondContact CD2-OE2 3.48Å; L140-E143 WeakPolarHBondContact CG-OE2 3.32Å; F141-E143 VanDerWaalsContact C-N 3.28Å; F141-E143 PolarHBondContact O-N 2.97Å; E143-V174 HydrophobicContact CG-CG1 3.97Å | ||
| 144 | E | 64.9 | Low | 66.7 | Low | 40 Ų | 40 | 81.1 Ų | 81.1 | 19% | 0.187 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128.9 | 166.2 | -175.1 | 179.4 | -163.5 | 0 | 0 | 110 | S146 V174 Q175 L177 T216 | E144-S146 PolarHBondContact O-N 2.79Å; E144-V174 VanDerWaalsContact O-CA 3.26Å; E144-V174 WeakPolarHBondContact O-CA 3.24Å; E144-Q175 PolarHBondContact N-O 3.39Å; E144-Q175 PolarHBondContact O-N 3.09Å; E144-Q175 VanDerWaalsContact O-N 3.13Å; E144-L177 VanDerWaalsContact OE2-CD1 3.24Å; E144-L177 WeakPolarHBondContact OE2-CD1 3.26Å; E144-T216 WeakPolarHBondContact OE1-CB 3.33Å |
| 145 | N | 51.2 | Low | 64.3 | Low | 117 Ų | 117 | 87 Ų | 87 | 63% | 0.626 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 89.4 | 163.3 | -72.5 | -25.8 | 0 | 0 | 0 | 108.4 | V172 | N145-V172 HydrophobicContact CB-CG1 4.4Å |
| 146 | S | 42.4 | Very low | 62.1 | Low | 20 Ų | 20 | 89.2 Ų | 89.2 | 14% | 0.14 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 109.3 | 168.4 | 66.9 | 0 | 0 | 0 | 0 | 108.8 | E144 Q148 V172 T173 | E144-S146 PolarHBondContact O-N 2.79Å; S146-Q148 PolarHBondContact O-N 2.84Å; S146-V172 CarbonylContact O-C 3.58Å; S146-V172 WeakPolarHBondContact O-CA 3.48Å; S146-T173 PolarHBondContact N-O 2.97Å; S146-T173 PolarHBondContact O-N 2.94Å; S146-T173 PolarHBondContact OG-O 2.84Å |
| 147 | C | 39.4 | Very low | 60.3 | Low | 76 Ų | 76 | 90.5 Ų | 90.5 | 51% | 0.514 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 99.3 | 165.3 | -83.3 | 0 | 0 | 0 | 0 | 107.9 | H149 | C147-H149 PolarHBondContact O-N 3.16Å |
| 148 | Q | 42.4 | Very low | 58.6 | Low | 89 Ų | 89 | 96 Ų | 96 | 42% | 0.416 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 113.8 | 165.5 | -66.7 | -169.9 | -2.7 | 0 | 0 | 107.7 | S146 L150 L171 | S146-Q148 PolarHBondContact O-N 2.84Å; Q148-L150 PolarHBondContact O-N 3.48Å; Q148-L171 PolarHBondContact N-O 3.13Å; Q148-L171 PolarHBondContact O-N 2.97Å; Q148-L171 VanDerWaalsContact O-N 3.09Å |
| 149 | H | 39.8 | Very low | 56.4 | Low | 101 Ų | 101 | 103.6 Ų | 103.6 | 47% | 0.468 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 103.8 | 169.1 | -71.6 | 36.4 | 0 | 0 | 0 | 106.9 | C147 E168 | C147-H149 PolarHBondContact O-N 3.16Å; H149-E168 IonicContact CD2-OE1 3.79Å; H149-E168 PolarHBondContact CD2-OE1 3.22Å; H149-E168 IonicContact CG-OE1 2.76Å; H149-E168 IonicContact NE2-OE1 3.07Å |
| 150 | L | 41.5 | Very low | 54.2 | Low | 93 Ų | 93 | 110.3 Ų | 110.3 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 113.4 | 176.2 | -110.5 | 141.7 | 0 | 0 | 0 | 107.8 | Q148 K152 L171 | Q148-L150 PolarHBondContact O-N 3.48Å; L150-K152 PolarHBondContact O-N 3.13Å; L150-L171 HydrophobicContact CD1-CD1 3.86Å |
| 151 | W | 43.3 | Very low | 52 | Low | 167 Ų | 167 | 113.9 Ų | 113.9 | 63% | 0.633 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 106.9 | 173 | -56.3 | 94.8 | 0 | 0 | 0 | 108.6 | ||
| 152 | K | 40.8 | Very low | 49.6 | Very low | 111 Ų | 111 | 123 Ų | 123 | 48% | 0.483 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.5 | 119.3 | 171.2 | -149.9 | 177.6 | -176.7 | -179.3 | 0 | 108 | L150 | L150-K152 PolarHBondContact O-N 3.13Å |
| 153 | V | 44.5 | Very low | 47.4 | Very low | 80 Ų | 80 | 126.2 Ų | 126.2 | 49% | 0.485 | 62% | 0.615 | S | S | . | * | trans | -100.2 | 101 | 172.8 | -169 | 0 | 0 | 0 | 0 | 107 | W155 | V153-W155 PolarHBondContact O-N 3.1Š| ||
| 154 | D | 44.5 | Very low | 45.7 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 51% | 0.513 | 63% | 0.632 | S | S | . | * | trans | -75.8 | 107.4 | 172.9 | -76.7 | -21.1 | 0 | 0 | 0 | 108.8 | ||||
| 155 | W | 43.3 | Very low | 44.9 | Very low | 228 Ų | 228 | 134.6 Ų | 134.6 | 86% | 0.864 | 66% | 0.662 | S | S | * | * | trans | -88.4 | 101.7 | 169.2 | -77.4 | 92.2 | 0 | 0 | 0 | 108.8 | V153 | V153-W155 PolarHBondContact O-N 3.1Š| ||
| 156 | N | 44.9 | Very low | 44.3 | Very low | 152 Ų | 152 | 133 Ų | 133 | 81% | 0.813 | 66% | 0.656 | S | S | * | * | trans | -88.4 | 115.2 | 167.1 | -99.7 | -13.9 | 0 | 0 | 0 | 108.9 | E158 | N156-E158 PolarHBondContact O-N 3.43Å; N156-E158 VanDerWaalsContact O-N 3.17Å | ||
| 157 | E | 47.9 | Very low | 44.5 | Very low | 198 Ų | 198 | 134.5 Ų | 134.5 | 93% | 0.925 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 19.4 | -174.8 | -144.6 | 172.1 | -163.5 | 0 | 0 | 114 | ||
| 158 | E | 49.3 | Very low | 44.6 | Very low | 181 Ų | 181 | 136.4 Ų | 136.4 | 85% | 0.846 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.4 | 8.9 | -168.5 | -104.4 | -174.5 | -177.6 | 0 | 0 | 118.9 | N156 | N156-E158 PolarHBondContact O-N 3.43Å; N156-E158 VanDerWaalsContact O-N 3.17Å |
| 159 | R | 45.2 | Very low | 44.6 | Very low | 225 Ų | 225 | 137.5 Ų | 137.5 | 85% | 0.849 | 67% | 0.673 | S | S | * | * | trans | -142.8 | 115.5 | 168.7 | -69.7 | -169.8 | -170.4 | 164.7 | 4.6 | 113.4 | ||||
| 160 | Q | 47.4 | Very low | 44.6 | Very low | 197 Ų | 197 | 135.4 Ų | 135.4 | 92% | 0.921 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -61.4 | 133.2 | 153.1 | -72.2 | 179.3 | -13.8 | 0 | 0 | 108 | ||
| 161 | N | 48.5 | Very low | 44.6 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 81% | 0.813 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 71.7 | 89.5 | -174.3 | -77.6 | -5.5 | 0 | 0 | 0 | 116.6 | ||
| 162 | E | 44.9 | Very low | 44.5 | Very low | 192 Ų | 192 | 131.1 Ų | 131.1 | 90% | 0.897 | 67% | 0.666 | S | S | * | * | S | Bend | 170.7 | 145.8 | 120.4 | -91.8 | 175.8 | -178 | 0 | 0 | 109.1 | |||
| 163 | G | 47.5 | Very low | 44.7 | Very low | 73 Ų | 73 | 128.4 Ų | 128.4 | 75% | 0.753 | 66% | 0.658 | S | S | * | * | trans | -54.8 | 148.2 | -163 | 0 | 0 | 0 | 0 | 0 | 116.3 | K165 | G163-K165 PolarHBondContact O-N 2.76Š| ||
| 164 | S | 46.3 | Very low | 45.2 | Very low | 92 Ų | 92 | 127.3 Ų | 127.3 | 64% | 0.643 | 65% | 0.652 | S | S | * | * | trans | -61.5 | 122.1 | 173.4 | 65.9 | 0 | 0 | 0 | 0 | 109.8 | T166 | S164-T166 PolarHBondContact O-N 3.42Š| ||
| 165 | K | 46.9 | Very low | 46.1 | Very low | 186 Ų | 186 | 126.1 Ų | 126.1 | 81% | 0.809 | 64% | 0.643 | S | S | * | * | trans | -83.1 | 108.3 | 167 | -80.1 | -179.8 | 176.7 | 173.9 | 0 | 107.5 | G163 | G163-K165 PolarHBondContact O-N 2.76Š| ||
| 166 | T | 40.5 | Very low | 47.9 | Very low | 83 Ų | 83 | 119.7 Ų | 119.7 | 51% | 0.509 | 62% | 0.619 | S | S | . | * | trans | -80.6 | 121.2 | 164.5 | 35.7 | 0 | 0 | 0 | 0 | 108.1 | S164 | S164-T166 PolarHBondContact O-N 3.42Š| ||
| 167 | S | 46.3 | Very low | 49.9 | Very low | 52 Ų | 52 | 114.5 Ų | 114.5 | 36% | 0.364 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103 | 134 | 168.3 | 54.7 | 0 | 0 | 0 | 0 | 109.3 | ||
| 168 | E | 40.4 | Very low | 52.1 | Low | 116 Ų | 116 | 106 Ų | 106 | 54% | 0.542 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.1 | 103.5 | 177.7 | -172.7 | 169.1 | -136.6 | 0 | 0 | 108.2 | H149 | H149-E168 IonicContact CD2-OE1 3.79Å; H149-E168 PolarHBondContact CD2-OE1 3.22Å; H149-E168 IonicContact CG-OE1 2.76Å; H149-E168 IonicContact NE2-OE1 3.07Å |
| 169 | E | 42.6 | Very low | 54.3 | Low | 112 Ų | 112 | 98.1 Ų | 98.1 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 111.3 | 169.3 | -73.7 | -173.2 | 161.1 | 0 | 0 | 108.5 | L171 | E169-L171 PolarHBondContact O-N 3.11Å; E169-L171 VanDerWaalsContact O-N 3.15Å |
| 170 | A | 39.3 | Very low | 56.6 | Low | 57 Ų | 57 | 95.1 Ų | 95.1 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 103 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | V172 | A170-V172 PolarHBondContact O-N 3.35Å |
| 171 | L | 41.4 | Very low | 59 | Low | 97 Ų | 97 | 87 Ų | 87 | 51% | 0.508 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 102.9 | 167.6 | -87 | 161.1 | 0 | 0 | 0 | 108.2 | Q148 L150 E169 T173 | Q148-L171 PolarHBondContact N-O 3.13Å; Q148-L171 PolarHBondContact O-N 2.97Å; Q148-L171 VanDerWaalsContact O-N 3.09Å; L150-L171 HydrophobicContact CD1-CD1 3.86Å; E169-L171 PolarHBondContact O-N 3.11Å; E169-L171 VanDerWaalsContact O-N 3.15Å; L171-T173 PolarHBondContact O-N 3.45Å; L171-T173 VanDerWaalsContact O-N 3.1Å |
| 172 | V | 42.4 | Very low | 61.3 | Low | 74 Ų | 74 | 84.4 Ų | 84.4 | 45% | 0.448 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 101.3 | 170.1 | -175.6 | 0 | 0 | 0 | 0 | 108 | N145 S146 A170 V174 | N145-V172 HydrophobicContact CB-CG1 4.4Å; S146-V172 CarbonylContact O-C 3.58Å; S146-V172 WeakPolarHBondContact O-CA 3.48Å; A170-V172 PolarHBondContact O-N 3.35Å; V172-V174 HydrophobicContact CG1-CG2 4.38Å; V172-V174 PolarHBondContact O-N 3.39Å |
| 173 | T | 44.8 | Very low | 63.9 | Low | 54 Ų | 54 | 75.3 Ų | 75.3 | 33% | 0.331 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 106.4 | 171.4 | -55.5 | 0 | 0 | 0 | 0 | 107.5 | S146 L171 Q175 | S146-T173 PolarHBondContact N-O 2.97Å; S146-T173 PolarHBondContact O-N 2.94Å; S146-T173 PolarHBondContact OG-O 2.84Å; L171-T173 PolarHBondContact O-N 3.45Å; L171-T173 VanDerWaalsContact O-N 3.1Å; T173-Q175 HydrophobicContact CG2-CG 3.92Å; T173-Q175 PolarHBondContact O-N 3.41Å; T173-Q175 VanDerWaalsContact O-N 3.1Å |
| 174 | V | 54.2 | Low | 66.3 | Low | 57 Ų | 57 | 72.1 Ų | 72.1 | 35% | 0.345 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 102.6 | 173.1 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | E143 E144 V172 | E143-V174 HydrophobicContact CG-CG1 3.97Å; E144-V174 VanDerWaalsContact O-CA 3.26Å; E144-V174 WeakPolarHBondContact O-CA 3.24Å; V172-V174 HydrophobicContact CG1-CG2 4.38Å; V172-V174 PolarHBondContact O-N 3.39Å |
| 175 | Q | 63.9 | Low | 68.8 | Low | 70 Ų | 70 | 68 Ų | 68 | 33% | 0.327 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 125.7 | -179.3 | -70 | -168.8 | -2.7 | 0 | 0 | 110.8 | E144 T173 L177 | E144-Q175 PolarHBondContact N-O 3.39Å; E144-Q175 PolarHBondContact O-N 3.09Å; E144-Q175 VanDerWaalsContact O-N 3.13Å; T173-Q175 HydrophobicContact CG2-CG 3.92Å; T173-Q175 PolarHBondContact O-N 3.41Å; T173-Q175 VanDerWaalsContact O-N 3.1Å; Q175-L177 HydrophobicContact CB-CD1 4.38Å; Q175-L177 HydrophobicContact CB-CD2 3.86Å; Q175-L177 HydrophobicContact CB-CG 3.89Å |
| 176 | R | 82.4 | Confident | 71.3 | Confident | 93 Ų | 93 | 59.2 Ų | 59.2 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | trans | -102.9 | 89.1 | 177.2 | -63.8 | 163.7 | -169.6 | 158.5 | 11.4 | 107.9 | A124 K180 | A124-R176 VanDerWaalsContact O-CD 3.3Å; A124-R176 WeakPolarHBondContact O-CD 3.21Å; R176-K180 HydrophobicContact CB-CG 4.12Å; R176-K180 WeakPolarHBondContact O-CG 3.3Å | ||
| 177 | L | 85.9 | Confident | 74.1 | Confident | 43 Ų | 43 | 59 Ų | 59 | 23% | 0.225 | 30% | 0.301 | C | S | . | . | trans | -93.5 | -18.6 | -162.2 | -65.7 | 179.1 | 0 | 0 | 0 | 114.2 | N142 E144 Q175 | N142-L177 PolarHBondContact OD1-N 3.48Å; E144-L177 VanDerWaalsContact OE2-CD1 3.24Å; E144-L177 WeakPolarHBondContact OE2-CD1 3.26Å; Q175-L177 HydrophobicContact CB-CD1 4.38Å; Q175-L177 HydrophobicContact CB-CD2 3.86Å; Q175-L177 HydrophobicContact CB-CG 3.89Å | ||
| 178 | I | 93.8 | Very high | 76.6 | Confident | 19 Ų | 19 | 57.3 Ų | 57.3 | 10% | 0.097 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -89.4 | -57.4 | 179.8 | -56.8 | 172.3 | 0 | 0 | 0 | 109.7 | N142 Y206 Y208 C214 P219 P243 | N142-I178 HydrophobicContact CB-CB 4.37Å; N142-I178 HydrophobicContact CB-CD1 4.12Å; N142-I178 WeakPolarHBondContact OD1-CB 3.48Å; N142-I178 PolarHBondContact OD1-N 2.91Å; I178-Y206 HydrophobicContact CG2-CD1 3.61Å; I178-Y206 HydrophobicContact CG2-CD2 4.4Å; I178-Y206 HydrophobicContact CG2-CE1 3.54Å; I178-Y206 HydrophobicContact CG2-CE2 4.36Å; I178-Y206 HydrophobicContact CG2-CG 4.05Å; I178-Y206 PolarHBondContact O-OH 3.46Å; I178-Y208 HydrophobicContact CD1-CE1 3.79Å; I178-Y208 WeakPolarHBondContact CD1-OH 3.44Å; I178-C214 HydrophobicContact CD1-CB 4.46Å; I178-P219 HydrophobicContact CG1-CG 4.02Å; I178-P243 HydrophobicContact CD1-CG 4.26Å; I178-P243 HydrophobicContact CG1-CG 4.45Å; I178-P243 HydrophobicContact CG2-CB 4.48Å; I178-P243 HydrophobicContact CG2-CG 3.96Å |
| 179 | D | 95.1 | Very high | 79.4 | Confident | 16 Ų | 16 | 52.5 Ų | 52.5 | 9% | 0.086 | 27% | 0.265 | C | S | . | . | trans | -149.9 | 138.5 | 175.5 | -156.6 | -57 | 0 | 0 | 0 | 110.3 | N142 S181 H200 S202 Y206 | N142-D179 PolarHBondContact ND2-O 3.1Å; D179-S181 VanDerWaalsContact OD1-CB 3.28Å; D179-S181 WeakPolarHBondContact OD1-CB 3.32Å; D179-S181 PolarHBondContact OD1-N 2.92Å; D179-S181 PolarHBondContact OD1-OG 3.01Å; D179-H200 IonicContact OD1-ND1 2.73Å; D179-S202 WeakPolarHBondContact OD2-CB 3.2Å; D179-S202 PolarHBondContact OD2-OG 3.24Å; D179-Y206 HydrophobicContact CB-CE2 3.68Å; D179-Y206 WeakPolarHBondContact OD2-CE2 3.44Å; D179-Y206 PolarHBondContact OD2-OH 3.05Å | ||
| 180 | K | 94.9 | Very high | 82 | Confident | 163 Ų | 163 | 50.1 Ų | 50.1 | 71% | 0.709 | 26% | 0.259 | S | S | * | . | trans | -96.8 | -12.8 | -178.6 | -63.3 | -177.7 | -179.4 | 179.8 | 0 | 112.9 | R176 | R176-K180 HydrophobicContact CB-CG 4.12Å; R176-K180 WeakPolarHBondContact O-CG 3.3Å | ||
| 181 | S | 96.9 | Very high | 84.8 | Confident | 26 Ų | 26 | 50.9 Ų | 50.9 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -84.8 | 157.6 | -175.1 | 73.7 | 0 | 0 | 0 | 0 | 111.1 | G125 D179 H200 S201 S202 | G125-S181 WeakPolarHBondContact CA-O 3.24Å; D179-S181 VanDerWaalsContact OD1-CB 3.28Å; D179-S181 WeakPolarHBondContact OD1-CB 3.32Å; D179-S181 PolarHBondContact OD1-N 2.92Å; D179-S181 PolarHBondContact OD1-OG 3.01Å; S181-H200 PolarHBondContact O-ND1 3.24Å; S181-H200 WeakPolarHBondContact OG-CB 3.48Å; S181-S201 WeakPolarHBondContact CB-OG 3.4Å; S181-S202 VanDerWaalsContact OG-CB 3.27Å; S181-S202 WeakPolarHBondContact OG-CB 3.35Å; S181-S202 PolarHBondContact OG-N 3.23Å; S181-S202 VanDerWaalsContact OG-N 3.09Å; S181-S202 PolarHBondContact OG-OG 3.41Å |
| 182 | R | 97.6 | Very high | 87.5 | Confident | 98 Ų | 98 | 47.2 Ų | 47.2 | 37% | 0.37 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 143.7 | -174 | 68.9 | 172.3 | -163.8 | 148.6 | 5.5 | 111.4 | S123 T184 H200 S201 | S123-R182 VanDerWaalsContact O-CA 3.3Å; S123-R182 WeakPolarHBondContact O-CA 3.43Å; S123-R182 WeakPolarHBondContact O-CB 3.44Å; R182-T184 HydrophobicContact CG-CG2 4.38Å; R182-H200 WeakPolarHBondContact O-CA 3.37Å; R182-S201 PolarHBondContact O-N 2.97Å |
| 183 | V | 98.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 130.2 | 168 | -176.1 | 0 | 0 | 0 | 0 | 109 | T102 F122 Q126 V127 V186 V198 A199 | T102-V183 VanDerWaalsContact CB-O 3.27Å; T102-V183 WeakPolarHBondContact CB-O 3.41Å; T102-V183 PolarHBondContact OG1-O 3.44Å; F122-V183 PolarHBondContact O-N 3.09Å; Q126-V183 WeakPolarHBondContact O-CG2 3.48Å; V127-V183 HydrophobicContact CG2-CG2 4.19Å; V183-V186 HydrophobicContact CG1-CG1 3.44Å; V183-V186 VanDerWaalsContact CG1-CG1 3.44Å; V183-V198 HydrophobicContact CB-CG1 4.45Å; V183-V198 HydrophobicContact CG1-CG1 3.61Å; V183-V198 HydrophobicContact CG2-CG1 4.01Å; V183-A199 CarbonylContact C-O 3.51Å; V183-A199 WeakPolarHBondContact CA-O 3.28Å; V183-A199 WeakPolarHBondContact CG1-O 3.42Å |
| 184 | T | 98.8 | Very high | 92.7 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.043 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -35.5 | -178.8 | 51 | 0 | 0 | 0 | 0 | 112.6 | R182 A199 L254 | R182-T184 HydrophobicContact CG-CG2 4.38Å; T184-A199 PolarHBondContact N-O 3.15Å; T184-A199 PolarHBondContact OG1-O 3.36Å; T184-L254 VanDerWaalsContact CB-O 3.24Å; T184-L254 WeakPolarHBondContact CB-O 3.39Å; T184-L254 WeakPolarHBondContact CG2-O 3.43Å; T184-L254 PolarHBondContact OG1-O 2.95Å |
| 185 | C | 98.9 | Very high | 94.8 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.034 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 139.7 | 176.1 | -170.8 | 0 | 0 | 0 | 0 | 110.5 | A199 F257 | C185-A199 HydrophobicContact CB-CB 4.29Å; C185-A199 PolarHBondContact O-N 3.29Å; C185-F257 HydrophobicContact CB-CD1 3.73Å; C185-F257 HydrophobicContact CB-CE1 3.6Å; C185-F257 HydrophobicContact CB-CZ 4.44Å |
| 186 | V | 98.9 | Very high | 96.5 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 135.6 | 169.6 | -62.3 | 0 | 0 | 0 | 0 | 108.3 | C103 D105 L119 V127 V183 L197 V198 | C103-V186 HydrophobicContact CB-CG2 4.46Å; D105-V186 HydrophobicContact CB-CG2 4.36Å; D105-V186 WeakPolarHBondContact CB-O 3.36Å; L119-V186 HydrophobicContact CB-CG2 4.45Å; V127-V186 HydrophobicContact CG2-CG1 4.18Å; V183-V186 HydrophobicContact CG1-CG1 3.44Å; V183-V186 VanDerWaalsContact CG1-CG1 3.44Å; V186-L197 WeakPolarHBondContact CA-O 3.44Å; V186-V198 HydrophobicContact CG1-CB 4.48Å; V186-V198 HydrophobicContact CG1-CG1 4.04Å; V186-V198 HydrophobicContact CG1-CG2 4.19Å |
| 187 | K | 98.9 | Very high | 97.2 | Very high | 79 Ų | 79 | 40.9 Ų | 40.9 | 34% | 0.343 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 143.4 | 173.5 | -70.8 | -63.3 | -175.4 | 172.5 | 0 | 110.7 | D105 F196 L197 F257 | D105-K187 HydrophobicContact CB-CD 4.1Å; D105-K187 WeakPolarHBondContact OD1-CD 3.24Å; D105-K187 IonicContact OD1-NZ 2.99Å; D105-K187 PolarHBondContact OD1-NZ 2.84Å; D105-K187 WeakPolarHBondContact OD2-CA 3.3Å; D105-K187 VanDerWaalsContact OD2-CD 3.29Å; D105-K187 WeakPolarHBondContact OD2-CD 3.36Å; K187-F196 WeakPolarHBondContact O-CA 3.32Å; K187-F196 WeakPolarHBondContact O-CB 3.37Å; K187-L197 PolarHBondContact N-O 2.92Å; K187-L197 PolarHBondContact O-N 3.33Å; K187-F257 HydrophobicContact CB-CE2 3.74Å; K187-F257 HydrophobicContact CB-CZ 3.97Å; K187-F257 HydrophobicContact CG-CE2 3.88Å; K187-F257 HydrophobicContact CG-CZ 4.17Å |
| 188 | W | 98.9 | Very high | 97.9 | Very high | 16 Ų | 16 | 38.8 Ų | 38.8 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 144.5 | 162.7 | -68 | 92.4 | 0 | 0 | 0 | 109.8 | D105 F106 N107 L119 L129 E193 F196 V210 | D105-W188 PolarHBondContact O-NE1 2.67Å; D105-W188 PolarHBondContact OD2-N 2.99Å; F106-W188 VanDerWaalsContact O-CD1 3.27Å; N107-W188 HydrophobicContact CB-CD2 3.75Å; N107-W188 HydrophobicContact CB-CE3 4.31Å; N107-W188 HydrophobicContact CB-CG 3.99Å; N107-W188 HydrophobicContact CB-CH2 4.43Å; N107-W188 HydrophobicContact CB-CZ2 3.93Å; N107-W188 VanDerWaalsContact N-CD1 3.34Å; N107-W188 VanDerWaalsContact N-NE1 3.17Å; N107-W188 WeakPolarHBondContact ND2-CZ3 3.21Å; L119-W188 HydrophobicContact CD1-CD2 3.76Å; L119-W188 HydrophobicContact CD1-CE3 4.38Å; L119-W188 HydrophobicContact CD1-CG 4.15Å; L119-W188 HydrophobicContact CD1-CH2 4.39Å; L119-W188 HydrophobicContact CD1-CZ2 3.73Å; L119-W188 HydrophobicContact CD2-CZ2 4.11Å; L119-W188 HydrophobicContact CG-CD2 4.47Å; L119-W188 HydrophobicContact CG-CH2 4.4Å; L119-W188 HydrophobicContact CG-CZ2 3.56Å; L129-W188 HydrophobicContact CD1-CH2 4.09Å; L129-W188 HydrophobicContact CD1-CZ2 3.79Å; W188-E193 WeakPolarHBondContact CZ3-O 3.48Å; W188-F196 HydrophobicContact CD2-CB 4.36Å; W188-F196 HydrophobicContact CE3-CB 4.15Å; W188-V210 HydrophobicContact CH2-CG2 3.48Å; W188-V210 VanDerWaalsContact CH2-CG2 3.48Å; W188-V210 HydrophobicContact CZ3-CG2 3.56Å |
| 189 | V | 98.8 | Very high | 98.1 | Very high | 15 Ų | 15 | 37.9 Ų | 37.9 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 128 | 170.8 | 176.3 | 0 | 0 | 0 | 0 | 107.5 | G191 S192 L195 L207 F259 F280 | V189-G191 PolarHBondContact O-N 3.06Å; V189-S192 VanDerWaalsContact O-CB 3.29Å; V189-S192 WeakPolarHBondContact O-CB 3.24Å; V189-S192 PolarHBondContact O-N 3.02Å; V189-L195 HydrophobicContact CB-CB 4Å; V189-L195 HydrophobicContact CG2-CB 3.76Å; V189-L195 PolarHBondContact N-O 3.19Å; V189-L207 HydrophobicContact CG2-CD1 3.88Å; V189-F259 HydrophobicContact CG2-CZ 4.25Å; V189-F280 HydrophobicContact CG1-CE1 3.85Å; V189-F280 HydrophobicContact CG1-CZ 4.3Å; V189-F280 HydrophobicContact CG2-CE1 4.41Å; V189-F280 HydrophobicContact CG2-CZ 4.06Å |
| 190 | P | 98.1 | Very high | 98.3 | Very high | 61 Ų | 61 | 37.1 Ų | 37.1 | 40% | 0.396 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 133.9 | 179.9 | -28.3 | 36 | 0 | 0 | 0 | 112.1 | S192 F259 | P190-S192 PolarHBondContact O-N 2.89Å; P190-F259 HydrophobicContact CG-CB 3.65Å; P190-F259 HydrophobicContact CG-CD1 3.97Å; P190-F259 HydrophobicContact CG-CD2 3.95Å; P190-F259 HydrophobicContact CG-CG 3.59Å |
| 191 | G | 97.1 | Very high | 98.4 | Very high | 74 Ų | 74 | 31.2 Ų | 31.2 | 76% | 0.763 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 4.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L109 V189 | L109-G191 WeakPolarHBondContact CD2-O 3.28Å; V189-G191 PolarHBondContact O-N 3.06Å |
| 192 | S | 98.1 | Very high | 98.5 | Very high | 20 Ų | 20 | 32.1 Ų | 32.1 | 14% | 0.14 | 19% | 0.188 | C | C | . | . | trans | -104.6 | 135.9 | 178.6 | -164.6 | 0 | 0 | 0 | 0 | 113.3 | N107 V189 P190 S194 L195 | N107-S192 PolarHBondContact ND2-O 2.87Å; V189-S192 VanDerWaalsContact O-CB 3.29Å; V189-S192 WeakPolarHBondContact O-CB 3.24Å; V189-S192 PolarHBondContact O-N 3.02Å; P190-S192 PolarHBondContact O-N 2.89Å; S192-S194 PolarHBondContact OG-N 2.83Å; S192-L195 WeakPolarHBondContact OG-CB 3.29Å; S192-L195 PolarHBondContact OG-N 3.33Å | ||
| 193 | E | 98.2 | Very high | 98.5 | Very high | 131 Ų | 131 | 27.7 Ų | 27.7 | 61% | 0.612 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -83.2 | -21.6 | 172.1 | -58.6 | -174.6 | 168.8 | 0 | 0 | 112.8 | N107 L109 T110 W188 | N107-E193 PolarHBondContact ND2-O 3.15Å; L109-E193 HydrophobicContact CD2-CG 3.65Å; L109-E193 HydrophobicContact CG-CG 4.28Å; T110-E193 HydrophobicContact CG2-CB 3.76Å; T110-E193 HydrophobicContact CG2-CG 3.69Å; W188-E193 WeakPolarHBondContact CZ3-O 3.48Å |
| 194 | S | 98.1 | Very high | 98.5 | Very high | 33 Ų | 33 | 28.4 Ų | 28.4 | 23% | 0.231 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -130.1 | -19.1 | -167.5 | 62.5 | 0 | 0 | 0 | 0 | 114.9 | S192 N209 V210 | S192-S194 PolarHBondContact OG-N 2.83Å; S194-N209 CarbonylContact O-C 3.53Å; S194-N209 WeakPolarHBondContact O-CA 3.44Å; S194-N209 PolarHBondContact OG-ND2 3.35Å; S194-V210 WeakPolarHBondContact O-CG2 3.34Å; S194-V210 PolarHBondContact O-N 3Å |
| 195 | L | 98.7 | Very high | 98.5 | Very high | 46 Ų | 46 | 28.1 Ų | 28.1 | 24% | 0.241 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 136.6 | -178.9 | -60.7 | 176.8 | 0 | 0 | 0 | 111.3 | V189 S192 L207 Y208 N209 L244 | V189-L195 HydrophobicContact CB-CB 4Å; V189-L195 HydrophobicContact CG2-CB 3.76Å; V189-L195 PolarHBondContact N-O 3.19Å; S192-L195 WeakPolarHBondContact OG-CB 3.29Å; S192-L195 PolarHBondContact OG-N 3.33Å; L195-L207 HydrophobicContact CB-CD1 4.41Å; L195-Y208 WeakPolarHBondContact CA-O 3.4Å; L195-N209 HydrophobicContact CD2-CB 3.87Å; L195-N209 WeakPolarHBondContact CD2-ND2 3.47Å; L195-L244 HydrophobicContact CD2-CD1 3.75Å |
| 196 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 151.3 | 173.4 | 66.8 | -87.6 | 0 | 0 | 0 | 111.6 | L119 V127 F141 K187 W188 V198 Y208 V210 | L119-F196 HydrophobicContact CD1-CB 3.35Å; L119-F196 HydrophobicContact CD1-CD1 4.01Å; L119-F196 HydrophobicContact CD1-CD2 3.64Å; L119-F196 HydrophobicContact CD1-CE2 4.38Å; L119-F196 HydrophobicContact CD1-CG 3.41Å; L119-F196 VanDerWaalsContact CD1-CG 3.41Å; L119-F196 HydrophobicContact CD2-CD1 4.25Å; L119-F196 HydrophobicContact CD2-CD2 4.25Å; L119-F196 HydrophobicContact CD2-CE1 4.19Å; L119-F196 HydrophobicContact CD2-CE2 4.19Å; L119-F196 HydrophobicContact CD2-CG 4.27Å; L119-F196 HydrophobicContact CD2-CZ 4.14Å; V127-F196 HydrophobicContact CG1-CE2 4.03Å; F141-F196 HydrophobicContact CD1-CE1 4.49Å; F141-F196 AromaticContact CD1-CZ 3.94Å; F141-F196 HydrophobicContact CD1-CZ 3.94Å; F141-F196 AromaticContact CD2-CZ 3.91Å; F141-F196 HydrophobicContact CD2-CZ 3.91Å; F141-F196 HydrophobicContact CE1-CE1 4.04Å; F141-F196 AromaticContact CE1-CZ 3.94Å; F141-F196 HydrophobicContact CE1-CZ 3.94Å; F141-F196 HydrophobicContact CE2-CE1 4.21Å; F141-F196 AromaticContact CE2-CZ 3.91Å; F141-F196 HydrophobicContact CE2-CZ 3.91Å; F141-F196 AromaticContact CG-CZ 3.93Å; F141-F196 HydrophobicContact CG-CZ 3.93Å; F141-F196 AromaticContact CZ-CE1 3.89Å; F141-F196 HydrophobicContact CZ-CE1 3.89Å; F141-F196 AromaticContact CZ-CZ 3.93Å; F141-F196 HydrophobicContact CZ-CZ 3.93Å; K187-F196 WeakPolarHBondContact O-CA 3.32Å; K187-F196 WeakPolarHBondContact O-CB 3.37Å; W188-F196 HydrophobicContact CD2-CB 4.36Å; W188-F196 HydrophobicContact CE3-CB 4.15Å; F196-V198 HydrophobicContact CD2-CG2 3.59Å; F196-V198 HydrophobicContact CE2-CG2 3.58Å; F196-Y208 HydrophobicContact CD2-CD2 4.46Å; F196-Y208 VanDerWaalsContact CE1-CB 3.45Å; F196-Y208 HydrophobicContact CE1-CG 4.43Å; F196-Y208 AromaticContact CE2-CD2 3.86Å; F196-Y208 HydrophobicContact CE2-CD2 3.86Å; F196-Y208 AromaticContact CE2-CG 3.82Å; F196-Y208 HydrophobicContact CE2-CG 3.82Å; F196-Y208 HydrophobicContact CZ-CD1 4.34Å; F196-Y208 HydrophobicContact CZ-CD2 4.26Å; F196-Y208 AromaticContact CZ-CG 3.74Å; F196-Y208 HydrophobicContact CZ-CG 3.74Å; F196-Y208 PolarHBondContact N-O 2.79Å; F196-Y208 VanDerWaalsContact N-O 3.07Å; F196-Y208 PolarHBondContact O-N 3.05Å; F196-V210 HydrophobicContact CD1-CG2 4Å; F196-V210 HydrophobicContact CE1-CG2 3.99Å |
| 197 | L | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 137 | -175.2 | -166.9 | 61.8 | 0 | 0 | 0 | 109.7 | V186 K187 M205 L207 F257 F259 L266 F280 | V186-L197 WeakPolarHBondContact CA-O 3.44Å; K187-L197 PolarHBondContact N-O 2.92Å; K187-L197 PolarHBondContact O-N 3.33Å; L197-M205 HydrophobicContact CD1-CB 4.3Å; L197-M205 HydrophobicContact CD1-CE 4.11Å; L197-M205 HydrophobicContact CD2-CE 3.25Å; L197-M205 HydrophobicContact CG-CE 3.51Å; L197-L207 HydrophobicContact CD1-CB 4.24Å; L197-L207 HydrophobicContact CD1-CD1 4.3Å; L197-F257 HydrophobicContact CB-CE2 4.24Å; L197-F257 HydrophobicContact CB-CZ 3.98Å; L197-F257 HydrophobicContact CD2-CD2 4.36Å; L197-F257 HydrophobicContact CD2-CE2 3.96Å; L197-F257 HydrophobicContact CD2-CZ 4.22Å; L197-F257 HydrophobicContact CG-CE2 4.3Å; L197-F257 HydrophobicContact CG-CZ 4.06Å; L197-F257 WeakPolarHBondContact O-CZ 3.31Å; L197-F259 HydrophobicContact CD2-CE2 4.23Å; L197-F259 HydrophobicContact CD2-CZ 3.89Å; L197-L266 HydrophobicContact CD2-CD1 4.13Å; L197-L266 HydrophobicContact CD2-CD2 3.79Å; L197-F280 HydrophobicContact CD2-CE2 3.95Å |
| 198 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 123.1 | -174.7 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | V127 V183 V186 F196 H200 M205 Y206 Y208 | V127-V198 HydrophobicContact CG2-CB 4.48Å; V127-V198 HydrophobicContact CG2-CG1 3.76Å; V127-V198 HydrophobicContact CG2-CG2 3.84Å; V183-V198 HydrophobicContact CB-CG1 4.45Å; V183-V198 HydrophobicContact CG1-CG1 3.61Å; V183-V198 HydrophobicContact CG2-CG1 4.01Å; V186-V198 HydrophobicContact CG1-CB 4.48Å; V186-V198 HydrophobicContact CG1-CG1 4.04Å; V186-V198 HydrophobicContact CG1-CG2 4.19Å; F196-V198 HydrophobicContact CD2-CG2 3.59Å; F196-V198 HydrophobicContact CE2-CG2 3.58Å; V198-H200 WeakPolarHBondContact CG1-NE2 3.4Å; V198-M205 CarbonylContact O-C 3.58Å; V198-M205 WeakPolarHBondContact O-CA 3.18Å; V198-Y206 PolarHBondContact N-O 3.41Å; V198-Y206 PolarHBondContact O-N 3.34Å; V198-Y208 HydrophobicContact CB-CD2 4.42Å; V198-Y208 HydrophobicContact CB-CE2 4.23Å; V198-Y208 HydrophobicContact CG2-CD2 3.83Å; V198-Y208 HydrophobicContact CG2-CE2 3.99Å |
| 199 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 147.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | V183 T184 C185 M205 L254 F257 | V183-A199 CarbonylContact C-O 3.51Å; V183-A199 WeakPolarHBondContact CA-O 3.28Å; V183-A199 WeakPolarHBondContact CG1-O 3.42Å; T184-A199 PolarHBondContact N-O 3.15Å; T184-A199 PolarHBondContact OG1-O 3.36Å; C185-A199 HydrophobicContact CB-CB 4.29Å; C185-A199 PolarHBondContact O-N 3.29Å; A199-M205 HydrophobicContact CB-CG 3.95Å; A199-L254 HydrophobicContact CB-CD2 3.57Å; A199-F257 HydrophobicContact CB-CD1 3.57Å; A199-F257 HydrophobicContact CB-CE1 3.62Å |
| 200 | H | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 156.8 | -177.2 | -72.1 | -107.2 | 0 | 0 | 0 | 112.5 | G125 D179 S181 R182 V198 S202 G203 N204 Y206 | G125-H200 PolarHBondContact O-CE1 3.01Å; D179-H200 IonicContact OD1-ND1 2.73Å; S181-H200 PolarHBondContact O-ND1 3.24Å; S181-H200 WeakPolarHBondContact OG-CB 3.48Å; R182-H200 WeakPolarHBondContact O-CA 3.37Å; V198-H200 WeakPolarHBondContact CG1-NE2 3.4Å; H200-S202 PolarHBondContact O-N 2.68Å; H200-G203 PolarHBondContact O-N 2.85Å; H200-G203 VanDerWaalsContact O-N 3.07Å; H200-N204 PolarHBondContact N-O 3.49Å; H200-Y206 AromaticContact CD2-CD2 3.57Å; H200-Y206 AromaticContact CD2-CE2 3.72Å; H200-Y206 AromaticContact NE2-CD2 3.75Å |
| 201 | S | 98.4 | Very high | 98.3 | Very high | 38 Ų | 38 | 29.4 Ų | 29.4 | 27% | 0.266 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -3.3 | 174.7 | 72.2 | 0 | 0 | 0 | 0 | 114 | S181 R182 A253 | S181-S201 WeakPolarHBondContact CB-OG 3.4Å; R182-S201 PolarHBondContact O-N 2.97Å; S201-A253 VanDerWaalsContact O-CA 3.28Å; S201-A253 WeakPolarHBondContact O-CA 3.36Å; S201-A253 WeakPolarHBondContact O-CB 3.23Å |
| 202 | S | 98.1 | Very high | 98.2 | Very high | 46 Ų | 46 | 28 Ų | 28 | 32% | 0.322 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -7.3 | 168.6 | 62 | 0 | 0 | 0 | 0 | 113.7 | D179 S181 H200 N204 | D179-S202 WeakPolarHBondContact OD2-CB 3.2Å; D179-S202 PolarHBondContact OD2-OG 3.24Å; S181-S202 VanDerWaalsContact OG-CB 3.27Å; S181-S202 WeakPolarHBondContact OG-CB 3.35Å; S181-S202 PolarHBondContact OG-N 3.23Å; S181-S202 VanDerWaalsContact OG-N 3.09Å; S181-S202 PolarHBondContact OG-OG 3.41Å; H200-S202 PolarHBondContact O-N 2.68Å; S202-N204 VanDerWaalsContact C-N 3.32Å; S202-N204 WeakPolarHBondContact CB-ND2 3.31Å; S202-N204 PolarHBondContact O-ND2 2.66Å; S202-N204 PolarHBondContact OG-N 3.09Å; S202-N204 PolarHBondContact OG-ND2 3.13Å |
| 203 | G | 98.2 | Very high | 97.9 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 82.6 | 12 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | H200 V249 G252 | H200-G203 PolarHBondContact O-N 2.85Å; H200-G203 VanDerWaalsContact O-N 3.07Å; G203-V249 PolarHBondContact O-N 2.85Å; G203-G252 WeakPolarHBondContact CA-O 3.37Å; G203-G252 PolarHBondContact N-O 2.87Å |
| 204 | N | 98.6 | Very high | 97.5 | Very high | 16 Ų | 16 | 26.6 Ų | 26.6 | 9% | 0.086 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 149.5 | 179.3 | -58.2 | -75 | 0 | 0 | 0 | 111.5 | H200 S202 Y206 K246 W247 T248 | H200-N204 PolarHBondContact N-O 3.49Å; S202-N204 VanDerWaalsContact C-N 3.32Å; S202-N204 WeakPolarHBondContact CB-ND2 3.31Å; S202-N204 PolarHBondContact O-ND2 2.66Å; S202-N204 PolarHBondContact OG-N 3.09Å; S202-N204 PolarHBondContact OG-ND2 3.13Å; N204-Y206 HydrophobicContact CB-CE2 3.75Å; N204-K246 WeakPolarHBondContact OD1-CE 3.44Å; N204-W247 CarbonylContact C-O 3.56Å; N204-W247 VanDerWaalsContact CA-O 3.24Å; N204-W247 WeakPolarHBondContact CA-O 3.46Å; N204-T248 WeakPolarHBondContact OD1-CB 3.32Å; N204-T248 PolarHBondContact OD1-OG1 2.83Å |
| 205 | M | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 148.9 | 168.1 | -49.5 | 174 | 57.3 | 0 | 0 | 109.8 | L197 V198 A199 K246 W247 V249 L254 F257 L266 | L197-M205 HydrophobicContact CD1-CB 4.3Å; L197-M205 HydrophobicContact CD1-CE 4.11Å; L197-M205 HydrophobicContact CD2-CE 3.25Å; L197-M205 HydrophobicContact CG-CE 3.51Å; V198-M205 CarbonylContact O-C 3.58Å; V198-M205 WeakPolarHBondContact O-CA 3.18Å; A199-M205 HydrophobicContact CB-CG 3.95Å; M205-K246 CarbonylContact O-C 3.51Å; M205-K246 WeakPolarHBondContact O-CA 3.3Å; M205-W247 HydrophobicContact CB-CB 4.17Å; M205-W247 PolarHBondContact N-O 2.72Å; M205-W247 PolarHBondContact O-N 3.3Å; M205-V249 HydrophobicContact SD-CG2 4.42Å; M205-L254 HydrophobicContact CG-CD1 3.71Å; M205-L254 HydrophobicContact SD-CD1 3.52Å; M205-L254 VanDerWaalsContact SD-CD1 3.52Å; M205-L254 HydrophobicContact SD-CD2 4.33Å; M205-F257 HydrophobicContact CE-CB 4.13Å; M205-F257 HydrophobicContact CE-CD1 3.46Å; M205-F257 VanDerWaalsContact CE-CD1 3.46Å; M205-F257 HydrophobicContact CE-CD2 4.12Å; M205-F257 HydrophobicContact CE-CE1 3.79Å; M205-F257 HydrophobicContact CE-CE2 4.39Å; M205-F257 HydrophobicContact CE-CG 3.63Å; M205-F257 HydrophobicContact CE-CZ 4.25Å; M205-F257 HydrophobicContact SD-CD1 4.47Å; M205-L266 HydrophobicContact CE-CD2 3.9Å; M205-L266 HydrophobicContact SD-CD2 4.45Å |
| 206 | Y | 98.7 | Very high | 96.2 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 130.7 | -179.3 | -58.8 | -88 | 0 | 0 | 0 | 110 | I178 D179 V198 H200 N204 Y208 P243 L245 K246 | I178-Y206 HydrophobicContact CG2-CD1 3.61Å; I178-Y206 HydrophobicContact CG2-CD2 4.4Å; I178-Y206 HydrophobicContact CG2-CE1 3.54Å; I178-Y206 HydrophobicContact CG2-CE2 4.36Å; I178-Y206 HydrophobicContact CG2-CG 4.05Å; I178-Y206 PolarHBondContact O-OH 3.46Å; D179-Y206 HydrophobicContact CB-CE2 3.68Å; D179-Y206 WeakPolarHBondContact OD2-CE2 3.44Å; D179-Y206 PolarHBondContact OD2-OH 3.05Å; V198-Y206 PolarHBondContact N-O 3.41Å; V198-Y206 PolarHBondContact O-N 3.34Å; H200-Y206 AromaticContact CD2-CD2 3.57Å; H200-Y206 AromaticContact CD2-CE2 3.72Å; H200-Y206 AromaticContact NE2-CD2 3.75Å; N204-Y206 HydrophobicContact CB-CE2 3.75Å; Y206-Y208 VanDerWaalsContact CB-CE2 3.46Å; Y206-Y208 HydrophobicContact CG-CE2 4.45Å; Y206-P243 HydrophobicContact CD1-CB 4.2Å; Y206-P243 HydrophobicContact CD1-CG 4.26Å; Y206-L245 WeakPolarHBondContact CA-O 3.18Å; Y206-K246 HydrophobicContact CD1-CB 3.93Å; Y206-K246 HydrophobicContact CD1-CG 4.12Å; Y206-K246 HydrophobicContact CE1-CB 3.79Å; Y206-K246 HydrophobicContact CE1-CD 3.83Å; Y206-K246 HydrophobicContact CE1-CG 3.56Å |
| 207 | L | 98.6 | Very high | 95.6 | Very high | 20 Ų | 20 | 32.3 Ų | 32.3 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 127.2 | 173.3 | -174.9 | 68.3 | 0 | 0 | 0 | 108.9 | V189 L195 L197 L244 L245 F280 | V189-L207 HydrophobicContact CG2-CD1 3.88Å; L195-L207 HydrophobicContact CB-CD1 4.41Å; L197-L207 HydrophobicContact CD1-CB 4.24Å; L197-L207 HydrophobicContact CD1-CD1 4.3Å; L207-L244 HydrophobicContact CB-CB 4.34Å; L207-L244 HydrophobicContact CD2-CB 4.33Å; L207-L244 HydrophobicContact CD2-CD1 4.08Å; L207-L244 HydrophobicContact CG-CB 4.38Å; L207-L244 HydrophobicContact CG-CD1 4.19Å; L207-L244 WeakPolarHBondContact O-CB 3.44Å; L207-L244 PolarHBondContact O-N 3.49Å; L207-L245 HydrophobicContact CB-CB 4.11Å; L207-L245 HydrophobicContact CD2-CD1 3.96Å; L207-L245 HydrophobicContact CD2-CG 4.38Å; L207-L245 PolarHBondContact N-O 2.75Å; L207-L245 VanDerWaalsContact N-O 3.16Å; L207-F280 HydrophobicContact CD1-CZ 4.37Å |
| 208 | Y | 98.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 153.9 | 178.2 | -72.2 | -95.9 | 0 | 0 | 0 | 110.6 | F141 I178 L195 F196 V198 Y206 N242 P243 | F141-Y208 HydrophobicContact CB-CD1 4.31Å; F141-Y208 HydrophobicContact CB-CE1 4.19Å; F141-Y208 AromaticContact CD1-CD1 3.89Å; F141-Y208 HydrophobicContact CD1-CD1 3.89Å; F141-Y208 HydrophobicContact CD1-CE1 4.49Å; F141-Y208 HydrophobicContact CG-CD1 4.44Å; I178-Y208 HydrophobicContact CD1-CE1 3.79Å; I178-Y208 WeakPolarHBondContact CD1-OH 3.44Å; L195-Y208 WeakPolarHBondContact CA-O 3.4Å; F196-Y208 HydrophobicContact CD2-CD2 4.46Å; F196-Y208 VanDerWaalsContact CE1-CB 3.45Å; F196-Y208 HydrophobicContact CE1-CG 4.43Å; F196-Y208 AromaticContact CE2-CD2 3.86Å; F196-Y208 HydrophobicContact CE2-CD2 3.86Å; F196-Y208 AromaticContact CE2-CG 3.82Å; F196-Y208 HydrophobicContact CE2-CG 3.82Å; F196-Y208 HydrophobicContact CZ-CD1 4.34Å; F196-Y208 HydrophobicContact CZ-CD2 4.26Å; F196-Y208 AromaticContact CZ-CG 3.74Å; F196-Y208 HydrophobicContact CZ-CG 3.74Å; F196-Y208 PolarHBondContact N-O 2.79Å; F196-Y208 VanDerWaalsContact N-O 3.07Å; F196-Y208 PolarHBondContact O-N 3.05Å; V198-Y208 HydrophobicContact CB-CD2 4.42Å; V198-Y208 HydrophobicContact CB-CE2 4.23Å; V198-Y208 HydrophobicContact CG2-CD2 3.83Å; V198-Y208 HydrophobicContact CG2-CE2 3.99Å; Y206-Y208 VanDerWaalsContact CB-CE2 3.46Å; Y206-Y208 HydrophobicContact CG-CE2 4.45Å; Y208-N242 WeakPolarHBondContact CA-OD1 3.41Å; Y208-N242 HydrophobicContact CD1-CB 3.56Å; Y208-N242 HydrophobicContact CE1-CB 3.9Å; Y208-P243 HydrophobicContact CE1-CB 4.34Å |
| 209 | N | 97.9 | Very high | 94.7 | Very high | 22 Ų | 22 | 35.6 Ų | 35.6 | 12% | 0.118 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132.2 | 165.9 | -172.7 | -60.2 | 0 | 0 | 0 | 109.8 | S194 L195 E211 H212 N242 L244 | S194-N209 CarbonylContact O-C 3.53Å; S194-N209 WeakPolarHBondContact O-CA 3.44Å; S194-N209 PolarHBondContact OG-ND2 3.35Å; L195-N209 HydrophobicContact CD2-CB 3.87Å; L195-N209 WeakPolarHBondContact CD2-ND2 3.47Å; N209-E211 PolarHBondContact O-N 2.78Å; N209-E211 WeakPolarHBondContact OD1-CB 3.33Å; N209-E211 PolarHBondContact OD1-N 3.22Å; N209-H212 HydrophobicContact CB-CB 4.27Å; N209-H212 PolarHBondContact O-N 2.8Å; N209-N242 PolarHBondContact N-OD1 2.83Å; N209-N242 PolarHBondContact O-ND2 2.87Å; N209-L244 HydrophobicContact CB-CD1 4.12Å |
| 210 | V | 97.7 | Very high | 94.4 | Very high | 17 Ų | 17 | 42.2 Ų | 42.2 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -57.4 | -35 | 179.9 | 170.7 | 0 | 0 | 0 | 0 | 112.5 | L129 K139 W188 S194 F196 | L129-V210 HydrophobicContact CD2-CG1 3.54Å; L129-V210 HydrophobicContact CD2-CG2 4.17Å; K139-V210 WeakPolarHBondContact CE-O 3.4Å; K139-V210 PolarHBondContact NZ-O 3.18Å; W188-V210 HydrophobicContact CH2-CG2 3.48Å; W188-V210 VanDerWaalsContact CH2-CG2 3.48Å; W188-V210 HydrophobicContact CZ3-CG2 3.56Å; S194-V210 WeakPolarHBondContact O-CG2 3.34Å; S194-V210 PolarHBondContact O-N 3Å; F196-V210 HydrophobicContact CD1-CG2 4Å; F196-V210 HydrophobicContact CE1-CG2 3.99Å |
| 211 | E | 96.1 | Very high | 94.2 | Very high | 141 Ų | 141 | 45.5 Ų | 45.5 | 66% | 0.659 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -77.2 | -27 | -177.5 | -59.3 | -50.2 | 129.4 | 0 | 0 | 112.1 | K139 N209 | K139-E211 PolarHBondContact NZ-O 2.83Å; N209-E211 PolarHBondContact O-N 2.78Å; N209-E211 WeakPolarHBondContact OD1-CB 3.33Å; N209-E211 PolarHBondContact OD1-N 3.22Å |
| 212 | H | 94.6 | Very high | 94.1 | Very high | 43 Ų | 43 | 48.6 Ų | 48.6 | 20% | 0.199 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -80.3 | 152.3 | -177.1 | -62.6 | 174.6 | 0 | 0 | 0 | 112.4 | K139 N209 N242 | K139-H212 WeakPolarHBondContact CE-O 3.48Å; K139-H212 PolarHBondContact NZ-O 2.89Å; N209-H212 HydrophobicContact CB-CB 4.27Å; N209-H212 PolarHBondContact O-N 2.8Å; H212-N242 PolarHBondContact O-ND2 2.84Å |
| 213 | T | 91.8 | Very high | 94 | Very high | 92 Ų | 92 | 49.9 Ų | 49.9 | 56% | 0.564 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -97.6 | 155 | 174.2 | 55.4 | 0 | 0 | 0 | 0 | 110.9 | R241 N242 | T213-R241 CarbonylContact O-C 3.6Å; T213-R241 WeakPolarHBondContact O-CA 3.4Å; T213-R241 WeakPolarHBondContact O-CB 3.35Å; T213-N242 PolarHBondContact O-N 3.44Å |
| 214 | C | 90.8 | Very high | 93.8 | Very high | 31 Ų | 31 | 54.4 Ų | 54.4 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -77.3 | 147.1 | 170.2 | -62.7 | 0 | 0 | 0 | 0 | 109.8 | N142 I178 | N142-C214 PolarHBondContact N-SG 2.8Å; I178-C214 HydrophobicContact CD1-CB 4.46Å |
| 215 | G | 84.8 | Confident | 93.7 | Very high | 21 Ų | 21 | 57 Ų | 57 | 22% | 0.216 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 156.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T217 | G215-T217 PolarHBondContact O-N 2.92Š|
| 216 | T | 84.1 | Confident | 93.6 | Very high | 99 Ų | 99 | 61.2 Ų | 61.2 | 61% | 0.607 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -80.9 | 4.4 | 174.7 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | E144 | E144-T216 WeakPolarHBondContact OE1-CB 3.33Š|
| 217 | T | 86.3 | Confident | 93.4 | Very high | 78 Ų | 78 | 62.4 Ų | 62.4 | 48% | 0.479 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -140.4 | 155.2 | 179.5 | 48.1 | 0 | 0 | 0 | 0 | 108.7 | G215 | G215-T217 PolarHBondContact O-N 2.92Š|
| 218 | A | 88.4 | Confident | 93 | Very high | 53 Ų | 53 | 68.8 Ų | 68.8 | 44% | 0.438 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 128.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | H220 | A218-H220 PolarHBondContact O-N 2.87Š|
| 219 | P | 90.3 | Very high | 92.8 | Very high | 21 Ų | 21 | 71 Ų | 71 | 14% | 0.136 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 139.5 | -178.1 | -21.3 | 30.6 | 0 | 0 | 0 | 112.1 | I178 Y221 P243 | I178-P219 HydrophobicContact CG1-CG 4.02Å; P219-Y221 HydrophobicContact CB-CE1 4.14Å; P219-Y221 HydrophobicContact CB-CE2 4.07Å; P219-Y221 WeakPolarHBondContact O-CD2 3.45Å; P219-Y221 WeakPolarHBondContact O-CE2 3.47Å; P219-P243 HydrophobicContact CB-CG 4.42Å; P219-P243 VanDerWaalsContact CG-CD 3.46Å; P219-P243 HydrophobicContact CG-CG 4.06Å |
| 220 | H | 92 | Very high | 92.7 | Very high | 139 Ų | 139 | 70.5 Ų | 70.5 | 64% | 0.644 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -90.8 | 123.9 | 171 | -69 | -70.9 | 0 | 0 | 0 | 109.8 | A218 K236 | A218-H220 PolarHBondContact O-N 2.87Å; H220-K236 PolarHBondContact O-N 2.84Å |
| 221 | Y | 95.1 | Very high | 92.7 | Very high | 69 Ų | 69 | 69.9 Ų | 69.9 | 27% | 0.271 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 142.2 | -175.2 | -65.1 | -70.7 | 0 | 0 | 0 | 111.8 | P219 H233 T234 P243 K246 | P219-Y221 HydrophobicContact CB-CE1 4.14Å; P219-Y221 HydrophobicContact CB-CE2 4.07Å; P219-Y221 WeakPolarHBondContact O-CD2 3.45Å; P219-Y221 WeakPolarHBondContact O-CE2 3.47Å; Y221-H233 HydrophobicContact CD1-CB 4.12Å; Y221-H233 HydrophobicContact CG-CB 4.29Å; Y221-T234 WeakPolarHBondContact CA-O 3.48Å; Y221-P243 HydrophobicContact CE1-CG 4.18Å; Y221-P243 WeakPolarHBondContact OH-CG 3.19Å; Y221-K246 HydrophobicContact CD1-CB 3.84Å; Y221-K246 HydrophobicContact CD1-CD 4.37Å; Y221-K246 HydrophobicContact CD2-CD 4.17Å; Y221-K246 HydrophobicContact CE1-CB 3.49Å; Y221-K246 VanDerWaalsContact CE1-CB 3.49Å; Y221-K246 HydrophobicContact CE1-CD 4.14Å; Y221-K246 HydrophobicContact CE1-CG 4.43Å; Y221-K246 HydrophobicContact CE2-CD 3.92Å; Y221-K246 HydrophobicContact CG-CD 4.38Å |
| 222 | Q | 95.8 | Very high | 92.8 | Very high | 103 Ų | 103 | 63.2 Ų | 63.2 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 134.1 | 168.6 | 177.9 | 172.9 | -17.4 | 0 | 0 | 108.9 | L224 H233 T234 | Q222-L224 PolarHBondContact O-N 3.27Å; Q222-H233 CarbonylContact O-C 3.58Å; Q222-H233 WeakPolarHBondContact O-CA 3.33Å; Q222-H233 WeakPolarHBondContact O-CB 3.39Å; Q222-T234 HydrophobicContact CB-CG2 4.36Å; Q222-T234 PolarHBondContact N-O 2.99Å; Q222-T234 PolarHBondContact O-N 2.95Å |
| 223 | L | 96.8 | Very high | 93 | Very high | 73 Ų | 73 | 62.9 Ų | 62.9 | 38% | 0.382 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 128 | 178.9 | -175.2 | 68 | 0 | 0 | 0 | 110.3 | K225 Q226 A231 | L223-K225 WeakPolarHBondContact CD1-O 3.14Å; L223-Q226 HydrophobicContact CD1-CB 4.33Å; L223-Q226 HydrophobicContact CD2-CB 4.26Å; L223-A231 HydrophobicContact CD1-CB 4.24Å |
| 224 | L | 95.1 | Very high | 93.2 | Very high | 98 Ų | 98 | 61 Ų | 61 | 51% | 0.513 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -48.9 | 174.8 | 177.9 | 67.4 | 0 | 0 | 0 | 110.5 | Q222 V232 L245 | Q222-L224 PolarHBondContact O-N 3.27Å; L224-V232 WeakPolarHBondContact CA-O 3.48Å; L224-V232 WeakPolarHBondContact CB-O 3.5Å; L224-V232 HydrophobicContact CD2-CG1 4.17Å; L224-V232 PolarHBondContact N-O 3.09Å; L224-L245 HydrophobicContact CD2-CD2 4.07Å |
| 225 | K | 96.3 | Very high | 93.1 | Very high | 70 Ų | 70 | 60.3 Ų | 60.3 | 30% | 0.304 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 142.3 | -179 | -163.3 | 102.6 | 174.4 | -166.8 | 0 | 109.9 | L223 F230 A231 V232 E284 | L223-K225 WeakPolarHBondContact CD1-O 3.14Å; K225-F230 HydrophobicContact CG-CE2 4.44Å; K225-A231 CarbonylContact O-C 3.56Å; K225-A231 WeakPolarHBondContact O-CA 3.45Å; K225-V232 HydrophobicContact CB-CB 4.35Å; K225-V232 PolarHBondContact N-O 2.96Å; K225-V232 PolarHBondContact O-N 3.46Å; K225-E284 VanDerWaalsContact NZ-CG 3.33Å; K225-E284 IonicContact NZ-OE1 3.93Å; K225-E284 PolarHBondContact NZ-OE1 3.3Å |
| 226 | Q | 96 | Very high | 93.3 | Very high | 91 Ų | 91 | 66 Ų | 66 | 43% | 0.425 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 135.4 | 172.1 | -176.6 | 76.3 | 49.8 | 0 | 0 | 107.6 | L223 F230 | L223-Q226 HydrophobicContact CD1-CB 4.33Å; L223-Q226 HydrophobicContact CD2-CB 4.26Å; Q226-F230 PolarHBondContact NE2-O 2.61Å; Q226-F230 VanDerWaalsContact NE2-O 3.09Å |
| 227 | G | 93.9 | Very high | 93.3 | Very high | 27 Ų | 27 | 63.3 Ų | 63.3 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | -168.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S229 F230 | G227-S229 PolarHBondContact O-N 3.43Å; G227-S229 VanDerWaalsContact O-N 3.13Å; G227-F230 PolarHBondContact N-O 3.49Å; G227-F230 PolarHBondContact O-N 2.59Å; G227-F230 VanDerWaalsContact O-O 3.06Å |
| 228 | E | 91.1 | Very high | 93.1 | Very high | 155 Ų | 155 | 70.3 Ų | 70.3 | 72% | 0.724 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 112.4 | -177 | -171.5 | 176.1 | -177.4 | 0 | 0 | 110.7 | F230 | E228-F230 WeakPolarHBondContact O-CD1 3.12Å; E228-F230 PolarHBondContact O-N 3.21Å |
| 229 | S | 93.2 | Very high | 93 | Very high | 49 Ų | 49 | 71.3 Ų | 71.3 | 34% | 0.343 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 28.2 | -177.8 | -54.8 | 0 | 0 | 0 | 0 | 114.7 | G227 G250 | G227-S229 PolarHBondContact O-N 3.43Å; G227-S229 VanDerWaalsContact O-N 3.13Å; S229-G250 WeakPolarHBondContact O-CA 3.36Å; S229-G250 PolarHBondContact O-N 3.22Å |
| 230 | F | 97.3 | Very high | 92.9 | Very high | 11 Ų | 11 | 75.5 Ų | 75.5 | 5% | 0.048 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 158.8 | 167.9 | 78.5 | -83.5 | 0 | 0 | 0 | 112.6 | K225 Q226 G227 E228 V232 W247 T248 F278 L285 | K225-F230 HydrophobicContact CG-CE2 4.44Å; Q226-F230 PolarHBondContact NE2-O 2.61Å; Q226-F230 VanDerWaalsContact NE2-O 3.09Å; G227-F230 PolarHBondContact N-O 3.49Å; G227-F230 PolarHBondContact O-N 2.59Å; G227-F230 VanDerWaalsContact O-O 3.06Å; E228-F230 WeakPolarHBondContact O-CD1 3.12Å; E228-F230 PolarHBondContact O-N 3.21Å; F230-V232 HydrophobicContact CD2-CG2 4.3Å; F230-W247 AromaticContact CD2-NE1 3.59Å; F230-T248 CarbonylContact C-O 3.54Å; F230-T248 WeakPolarHBondContact CA-O 3.47Å; F230-T248 WeakPolarHBondContact CB-O 3.38Å; F230-F278 HydrophobicContact CB-CE1 4.17Å; F230-F278 HydrophobicContact CB-CZ 4.16Å; F230-F278 AromaticContact CD1-CE1 3.75Å; F230-F278 HydrophobicContact CD1-CE1 3.75Å; F230-F278 HydrophobicContact CD1-CZ 4.43Å; F230-F278 AromaticContact CD2-CE1 3.95Å; F230-F278 HydrophobicContact CD2-CE1 3.95Å; F230-F278 HydrophobicContact CE1-CE1 4.06Å; F230-F278 HydrophobicContact CE2-CE1 4.24Å; F230-F278 AromaticContact CG-CE1 3.69Å; F230-F278 HydrophobicContact CG-CE1 3.69Å; F230-F278 HydrophobicContact CG-CZ 4.19Å; F230-F278 HydrophobicContact CZ-CE1 4.3Å; F230-L285 HydrophobicContact CD1-CB 4.36Å; F230-L285 HydrophobicContact CE1-CB 3.66Å; F230-L285 HydrophobicContact CE1-CD2 4.37Å; F230-L285 HydrophobicContact CZ-CB 4.25Å |
| 231 | A | 97.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 72 Ų | 72 | 3% | 0.025 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 142.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L223 K225 W247 T248 | L223-A231 HydrophobicContact CD1-CB 4.24Å; K225-A231 CarbonylContact O-C 3.56Å; K225-A231 WeakPolarHBondContact O-CA 3.45Å; A231-W247 CarbonylContact O-C 3.59Å; A231-T248 PolarHBondContact N-O 3.13Å; A231-T248 PolarHBondContact O-N 3.07Å |
| 232 | V | 98 | Very high | 92.9 | Very high | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 133.2 | 175.1 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | L224 K225 F230 K246 W247 V283 | L224-V232 WeakPolarHBondContact CA-O 3.48Å; L224-V232 WeakPolarHBondContact CB-O 3.5Å; L224-V232 HydrophobicContact CD2-CG1 4.17Å; L224-V232 PolarHBondContact N-O 3.09Å; K225-V232 HydrophobicContact CB-CB 4.35Å; K225-V232 PolarHBondContact N-O 2.96Å; K225-V232 PolarHBondContact O-N 3.46Å; F230-V232 HydrophobicContact CD2-CG2 4.3Å; V232-K246 CarbonylContact C-O 3.6Å; V232-K246 WeakPolarHBondContact CA-O 3.38Å; V232-W247 HydrophobicContact CG2-CB 4.3Å; V232-W247 VanDerWaalsContact CG2-CD1 3.41Å; V232-W247 HydrophobicContact CG2-CD2 3.66Å; V232-W247 HydrophobicContact CG2-CE3 4.49Å; V232-W247 HydrophobicContact CG2-CG 3.55Å; V232-W247 HydrophobicContact CG2-CZ2 4.24Å; V232-V283 HydrophobicContact CB-CG1 3.82Å; V232-V283 HydrophobicContact CG1-CG1 4.02Å; V232-V283 HydrophobicContact CG2-CG1 3.27Å |
| 233 | H | 97.6 | Very high | 92.9 | Very high | 37 Ų | 37 | 63.9 Ų | 63.9 | 17% | 0.171 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 145.9 | 179.6 | -54.5 | 75.5 | 0 | 0 | 0 | 110 | Y221 Q222 L245 K246 | Y221-H233 HydrophobicContact CD1-CB 4.12Å; Y221-H233 HydrophobicContact CG-CB 4.29Å; Q222-H233 CarbonylContact O-C 3.58Å; Q222-H233 WeakPolarHBondContact O-CA 3.33Å; Q222-H233 WeakPolarHBondContact O-CB 3.39Å; H233-L245 CarbonylContact O-C 3.49Å; H233-L245 VanDerWaalsContact O-CA 3.31Å; H233-L245 WeakPolarHBondContact O-CA 3.27Å; H233-K246 HydrophobicContact CB-CB 4.48Å; H233-K246 PolarHBondContact N-O 2.92Å; H233-K246 PolarHBondContact O-N 3.37Å |
| 234 | T | 95.7 | Very high | 92.9 | Very high | 52 Ų | 52 | 62.6 Ų | 62.6 | 32% | 0.319 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 150.9 | 169.8 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | Y221 Q222 K236 | Y221-T234 WeakPolarHBondContact CA-O 3.48Å; Q222-T234 HydrophobicContact CB-CG2 4.36Å; Q222-T234 PolarHBondContact N-O 2.99Å; Q222-T234 PolarHBondContact O-N 2.95Å; T234-K236 PolarHBondContact O-N 2.79Å |
| 235 | C | 90.5 | Very high | 93 | Very high | 17 Ų | 17 | 59.9 Ų | 59.9 | 12% | 0.115 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 118.3 | 176 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | S237 P243 L244 | C235-S237 PolarHBondContact O-N 3.27Å; C235-P243 WeakPolarHBondContact CB-O 3.2Å; C235-L244 PolarHBondContact N-O 2.69Å |
| 236 | K | 87.4 | Confident | 93.1 | Very high | 139 Ų | 139 | 58.8 Ų | 58.8 | 60% | 0.604 | 31% | 0.307 | S | S | * | . | trans | -76.7 | 109.2 | 176.9 | -159.4 | 174.2 | -172.3 | 172.6 | 0 | 109.8 | H220 T234 | H220-K236 PolarHBondContact O-N 2.84Å; T234-K236 PolarHBondContact O-N 2.79Å | ||
| 237 | S | 83.9 | Confident | 93.2 | Very high | 44 Ų | 44 | 55 Ų | 55 | 31% | 0.308 | 29% | 0.289 | S | S | . | . | trans | -146.3 | 147.6 | -174.5 | -173.8 | 0 | 0 | 0 | 0 | 113.4 | C235 S239 R241 | C235-S237 PolarHBondContact O-N 3.27Å; S237-S239 VanDerWaalsContact CB-O 3.22Å; S237-S239 WeakPolarHBondContact CB-O 3.39Å; S237-S239 PolarHBondContact OG-N 3.16Å; S237-S239 PolarHBondContact OG-O 3.5Å; S237-R241 VanDerWaalsContact CB-NE 3.27Å; S237-R241 PolarHBondContact OG-NE 3.25Å; S237-R241 PolarHBondContact OG-NH2 2.77Å | ||
| 238 | K | 82.9 | Confident | 93.4 | Very high | 225 Ų | 225 | 55.3 Ų | 55.3 | 98% | 0.978 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -84.1 | -13.8 | 169 | -64.7 | -173.9 | 179.5 | -178.2 | 0 | 113 | ||
| 239 | S | 86.2 | Confident | 93.7 | Very high | 74 Ų | 74 | 48 Ų | 48 | 52% | 0.517 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -127.9 | 154.3 | 177.9 | 59.5 | 0 | 0 | 0 | 0 | 111.5 | S237 R241 | S237-S239 VanDerWaalsContact CB-O 3.22Å; S237-S239 WeakPolarHBondContact CB-O 3.39Å; S237-S239 PolarHBondContact OG-N 3.16Å; S237-S239 PolarHBondContact OG-O 3.5Å; S239-R241 PolarHBondContact O-N 2.95Å |
| 240 | T | 88.2 | Confident | 93.8 | Very high | 108 Ų | 108 | 46.7 Ų | 46.7 | 66% | 0.663 | 25% | 0.245 | S | C | * | . | trans | -65.9 | 113.7 | 172 | 47.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 241 | R | 92.1 | Very high | 93.6 | Very high | 67 Ų | 67 | 51 Ų | 51 | 25% | 0.253 | 27% | 0.266 | S | S | . | . | trans | -148 | 157.6 | 179.1 | 61.3 | -179.8 | 155.3 | -168.8 | -6.6 | 111.3 | T213 S237 S239 | T213-R241 CarbonylContact O-C 3.6Å; T213-R241 WeakPolarHBondContact O-CA 3.4Å; T213-R241 WeakPolarHBondContact O-CB 3.35Å; S237-R241 VanDerWaalsContact CB-NE 3.27Å; S237-R241 PolarHBondContact OG-NE 3.25Å; S237-R241 PolarHBondContact OG-NH2 2.77Å; S239-R241 PolarHBondContact O-N 2.95Å | ||
| 242 | N | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -82 | 149.7 | 169.3 | -77.5 | -37.2 | 0 | 0 | 0 | 111.3 | Y208 N209 H212 T213 | Y208-N242 WeakPolarHBondContact CA-OD1 3.41Å; Y208-N242 HydrophobicContact CD1-CB 3.56Å; Y208-N242 HydrophobicContact CE1-CB 3.9Å; N209-N242 PolarHBondContact N-OD1 2.83Å; N209-N242 PolarHBondContact O-ND2 2.87Å; H212-N242 PolarHBondContact O-ND2 2.84Å; T213-N242 PolarHBondContact O-N 3.44Å |
| 243 | P | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | cis | -78.8 | 153.7 | -5.2 | 34 | -32.9 | 0 | 0 | 0 | 111.9 | I178 Y206 Y208 P219 Y221 C235 | I178-P243 HydrophobicContact CD1-CG 4.26Å; I178-P243 HydrophobicContact CG1-CG 4.45Å; I178-P243 HydrophobicContact CG2-CB 4.48Å; I178-P243 HydrophobicContact CG2-CG 3.96Å; Y206-P243 HydrophobicContact CD1-CB 4.2Å; Y206-P243 HydrophobicContact CD1-CG 4.26Å; Y208-P243 HydrophobicContact CE1-CB 4.34Å; P219-P243 HydrophobicContact CB-CG 4.42Å; P219-P243 VanDerWaalsContact CG-CD 3.46Å; P219-P243 HydrophobicContact CG-CG 4.06Å; Y221-P243 HydrophobicContact CE1-CG 4.18Å; Y221-P243 WeakPolarHBondContact OH-CG 3.19Å; C235-P243 WeakPolarHBondContact CB-O 3.2Å | ||
| 244 | L | 96.4 | Very high | 93.6 | Very high | 46 Ų | 46 | 52.1 Ų | 52.1 | 24% | 0.241 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -73.4 | -50.3 | 176.1 | -62.8 | -176 | 0 | 0 | 0 | 111.4 | L195 L207 N209 C235 | L195-L244 HydrophobicContact CD2-CD1 3.75Å; L207-L244 HydrophobicContact CB-CB 4.34Å; L207-L244 HydrophobicContact CD2-CB 4.33Å; L207-L244 HydrophobicContact CD2-CD1 4.08Å; L207-L244 HydrophobicContact CG-CB 4.38Å; L207-L244 HydrophobicContact CG-CD1 4.19Å; L207-L244 WeakPolarHBondContact O-CB 3.44Å; L207-L244 PolarHBondContact O-N 3.49Å; N209-L244 HydrophobicContact CB-CD1 4.12Å; C235-L244 PolarHBondContact N-O 2.69Å |
| 245 | L | 97 | Very high | 93.7 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 22% | 0.22 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 150.4 | -178.3 | -60.5 | 174.3 | 0 | 0 | 0 | 110.1 | Y206 L207 L224 H233 | Y206-L245 WeakPolarHBondContact CA-O 3.18Å; L207-L245 HydrophobicContact CB-CB 4.11Å; L207-L245 HydrophobicContact CD2-CD1 3.96Å; L207-L245 HydrophobicContact CD2-CG 4.38Å; L207-L245 PolarHBondContact N-O 2.75Å; L207-L245 VanDerWaalsContact N-O 3.16Å; L224-L245 HydrophobicContact CD2-CD2 4.07Å; H233-L245 CarbonylContact O-C 3.49Å; H233-L245 VanDerWaalsContact O-CA 3.31Å; H233-L245 WeakPolarHBondContact O-CA 3.27Å |
| 246 | K | 98.1 | Very high | 94.1 | Very high | 47 Ų | 47 | 51.9 Ų | 51.9 | 20% | 0.204 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 118.6 | 164.7 | 172.5 | -178.3 | 177.6 | 175.1 | 0 | 108.8 | N204 M205 Y206 Y221 V232 H233 | N204-K246 WeakPolarHBondContact OD1-CE 3.44Å; M205-K246 CarbonylContact O-C 3.51Å; M205-K246 WeakPolarHBondContact O-CA 3.3Å; Y206-K246 HydrophobicContact CD1-CB 3.93Å; Y206-K246 HydrophobicContact CD1-CG 4.12Å; Y206-K246 HydrophobicContact CE1-CB 3.79Å; Y206-K246 HydrophobicContact CE1-CD 3.83Å; Y206-K246 HydrophobicContact CE1-CG 3.56Å; Y221-K246 HydrophobicContact CD1-CB 3.84Å; Y221-K246 HydrophobicContact CD1-CD 4.37Å; Y221-K246 HydrophobicContact CD2-CD 4.17Å; Y221-K246 HydrophobicContact CE1-CB 3.49Å; Y221-K246 VanDerWaalsContact CE1-CB 3.49Å; Y221-K246 HydrophobicContact CE1-CD 4.14Å; Y221-K246 HydrophobicContact CE1-CG 4.43Å; Y221-K246 HydrophobicContact CE2-CD 3.92Å; Y221-K246 HydrophobicContact CG-CD 4.38Å; V232-K246 CarbonylContact C-O 3.6Å; V232-K246 WeakPolarHBondContact CA-O 3.38Å; H233-K246 HydrophobicContact CB-CB 4.48Å; H233-K246 PolarHBondContact N-O 2.92Å; H233-K246 PolarHBondContact O-N 3.37Å |
| 247 | W | 98.3 | Very high | 94.6 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 5% | 0.045 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 115.6 | 175.9 | -155.9 | -30.7 | 0 | 0 | 0 | 109.5 | N204 M205 F230 A231 V232 V249 L266 F278 F280 V283 | N204-W247 CarbonylContact C-O 3.56Å; N204-W247 VanDerWaalsContact CA-O 3.24Å; N204-W247 WeakPolarHBondContact CA-O 3.46Å; M205-W247 HydrophobicContact CB-CB 4.17Å; M205-W247 PolarHBondContact N-O 2.72Å; M205-W247 PolarHBondContact O-N 3.3Å; F230-W247 AromaticContact CD2-NE1 3.59Å; A231-W247 CarbonylContact O-C 3.59Å; V232-W247 HydrophobicContact CG2-CB 4.3Å; V232-W247 VanDerWaalsContact CG2-CD1 3.41Å; V232-W247 HydrophobicContact CG2-CD2 3.66Å; V232-W247 HydrophobicContact CG2-CE3 4.49Å; V232-W247 HydrophobicContact CG2-CG 3.55Å; V232-W247 HydrophobicContact CG2-CZ2 4.24Å; W247-V249 VanDerWaalsContact CD1-CG2 3.5Å; W247-V249 HydrophobicContact CG-CG2 4.13Å; W247-L266 HydrophobicContact CZ3-CD2 4.12Å; W247-F278 HydrophobicContact CH2-CB 3.77Å; W247-F278 HydrophobicContact CH2-CD1 4.39Å; W247-F278 HydrophobicContact CH2-CG 4Å; W247-F278 HydrophobicContact CZ2-CB 3.77Å; W247-F278 AromaticContact CZ2-CD1 3.53Å; W247-F278 HydrophobicContact CZ2-CD1 3.53Å; W247-F278 HydrophobicContact CZ2-CD2 4.03Å; W247-F278 HydrophobicContact CZ2-CE1 4.06Å; W247-F278 AromaticContact CZ2-CG 3.5Å; W247-F278 HydrophobicContact CZ2-CG 3.5Å; W247-F278 VanDerWaalsContact CZ2-CG 3.5Å; W247-F280 HydrophobicContact CZ3-CD2 4.17Å; W247-F280 HydrophobicContact CZ3-CE2 4.46Å; W247-V283 HydrophobicContact CH2-CG1 3.92Å; W247-V283 HydrophobicContact CZ2-CG1 3.83Å; W247-V283 HydrophobicContact CZ3-CG1 4.39Å |
| 248 | T | 98.5 | Very high | 95.4 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 20% | 0.202 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126 | 173.1 | -57.9 | 0 | 0 | 0 | 0 | 108.8 | N204 F230 A231 | N204-T248 WeakPolarHBondContact OD1-CB 3.32Å; N204-T248 PolarHBondContact OD1-OG1 2.83Å; F230-T248 CarbonylContact C-O 3.54Å; F230-T248 WeakPolarHBondContact CA-O 3.47Å; F230-T248 WeakPolarHBondContact CB-O 3.38Å; A231-T248 PolarHBondContact N-O 3.13Å; A231-T248 PolarHBondContact O-N 3.07Å |
| 249 | V | 97.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 117.5 | -172.9 | -178.6 | 0 | 0 | 0 | 0 | 110 | G203 M205 W247 L254 C268 F278 | G203-V249 PolarHBondContact O-N 2.85Å; M205-V249 HydrophobicContact SD-CG2 4.42Å; W247-V249 VanDerWaalsContact CD1-CG2 3.5Å; W247-V249 HydrophobicContact CG-CG2 4.13Å; V249-L254 HydrophobicContact CB-CD1 3.85Å; V249-L254 HydrophobicContact CG1-CD1 4.15Å; V249-L254 HydrophobicContact CG2-CD1 4.08Å; V249-C268 HydrophobicContact CG1-CB 4.43Å; V249-F278 HydrophobicContact CG1-CE2 4.16Å; V249-F278 HydrophobicContact CG1-CZ 4.2Å; V249-F278 HydrophobicContact CG2-CE2 4.38Å; V249-F278 HydrophobicContact CG2-CZ 4.44Å |
| 250 | G | 94.6 | Very high | 96.7 | Very high | 21 Ų | 21 | 31.6 Ų | 31.6 | 22% | 0.216 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 60.2 | -152.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S229 | S229-G250 WeakPolarHBondContact O-CA 3.36Å; S229-G250 PolarHBondContact O-N 3.22Å |
| 251 | E | 93.4 | Very high | 97.1 | Very high | 103 Ų | 103 | 30.1 Ų | 30.1 | 48% | 0.481 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -118.2 | 148.5 | 171.8 | -64.6 | -169.6 | 170.7 | 0 | 0 | 111.1 | D272 | E251-D272 HydrophobicContact CB-CB 4.41Å; E251-D272 PolarHBondContact N-OD2 3.43Å; E251-D272 VanDerWaalsContact N-OD2 3.15Å; E251-D272 WeakPolarHBondContact O-CB 3.38Å; E251-D272 PolarHBondContact O-N 3.31Å |
| 252 | G | 96.5 | Very high | 97.3 | Very high | 44 Ų | 44 | 31 Ų | 31 | 45% | 0.454 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 79.5 | -165.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G203 | G203-G252 WeakPolarHBondContact CA-O 3.37Å; G203-G252 PolarHBondContact N-O 2.87Å |
| 253 | A | 98.1 | Very high | 97.4 | Very high | 19 Ų | 19 | 31.7 Ų | 31.7 | 16% | 0.157 | 19% | 0.19 | C | C | . | . | trans | -69.8 | 139.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S201 S270 Q271 | S201-A253 VanDerWaalsContact O-CA 3.28Å; S201-A253 WeakPolarHBondContact O-CA 3.36Å; S201-A253 WeakPolarHBondContact O-CB 3.23Å; A253-S270 CarbonylContact O-C 3.48Å; A253-S270 WeakPolarHBondContact O-CA 3.31Å; A253-Q271 HydrophobicContact CB-CB 4.33Å; A253-Q271 PolarHBondContact O-N 3.36Å | ||
| 254 | L | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 113.2 | 163.9 | -162.5 | 147.5 | 0 | 0 | 0 | 107.5 | T184 A199 M205 V249 E256 F257 C268 | T184-L254 VanDerWaalsContact CB-O 3.24Å; T184-L254 WeakPolarHBondContact CB-O 3.39Å; T184-L254 WeakPolarHBondContact CG2-O 3.43Å; T184-L254 PolarHBondContact OG1-O 2.95Å; A199-L254 HydrophobicContact CB-CD2 3.57Å; M205-L254 HydrophobicContact CG-CD1 3.71Å; M205-L254 HydrophobicContact SD-CD1 3.52Å; M205-L254 VanDerWaalsContact SD-CD1 3.52Å; M205-L254 HydrophobicContact SD-CD2 4.33Å; V249-L254 HydrophobicContact CB-CD1 3.85Å; V249-L254 HydrophobicContact CG1-CD1 4.15Å; V249-L254 HydrophobicContact CG2-CD1 4.08Å; L254-E256 WeakPolarHBondContact CD2-O 3.24Å; L254-F257 HydrophobicContact CD2-CB 4.27Å; L254-F257 HydrophobicContact CD2-CD1 4.22Å; L254-C268 HydrophobicContact CD1-CB 4.18Å |
| 255 | N | 98.6 | Very high | 97.6 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 11% | 0.112 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -44.7 | -168.6 | -72.9 | -34.8 | 0 | 0 | 0 | 111.5 | V269 Q271 L296 | N255-V269 PolarHBondContact N-O 2.83Å; N255-Q271 PolarHBondContact ND2-OE1 2.77Å; N255-L296 PolarHBondContact ND2-O 2.79Å |
| 256 | E | 98.8 | Very high | 97.6 | Very high | 42 Ų | 42 | 32.9 Ų | 32.9 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 154.9 | 177.4 | -170.7 | 164.4 | -129 | 0 | 0 | 110.6 | L254 V269 C298 V299 | L254-E256 WeakPolarHBondContact CD2-O 3.24Å; E256-V269 HydrophobicContact CB-CG2 3.92Å; E256-V269 WeakPolarHBondContact O-CG2 3.49Å; E256-V269 PolarHBondContact O-N 3.01Å; E256-C298 WeakPolarHBondContact OE2-CA 3.46Å; E256-C298 VanDerWaalsContact OE2-CB 3.24Å; E256-C298 WeakPolarHBondContact OE2-CB 3.47Å; E256-V299 HydrophobicContact CB-CG1 4.39Å; E256-V299 HydrophobicContact CG-CG1 4.25Å; E256-V299 PolarHBondContact OE2-N 2.76Å |
| 257 | F | 98.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 154 | 164.9 | 68.4 | -94.8 | 0 | 0 | 0 | 110.1 | C185 K187 L197 A199 M205 L254 F259 L266 A267 | C185-F257 HydrophobicContact CB-CD1 3.73Å; C185-F257 HydrophobicContact CB-CE1 3.6Å; C185-F257 HydrophobicContact CB-CZ 4.44Å; K187-F257 HydrophobicContact CB-CE2 3.74Å; K187-F257 HydrophobicContact CB-CZ 3.97Å; K187-F257 HydrophobicContact CG-CE2 3.88Å; K187-F257 HydrophobicContact CG-CZ 4.17Å; L197-F257 HydrophobicContact CB-CE2 4.24Å; L197-F257 HydrophobicContact CB-CZ 3.98Å; L197-F257 HydrophobicContact CD2-CD2 4.36Å; L197-F257 HydrophobicContact CD2-CE2 3.96Å; L197-F257 HydrophobicContact CD2-CZ 4.22Å; L197-F257 HydrophobicContact CG-CE2 4.3Å; L197-F257 HydrophobicContact CG-CZ 4.06Å; L197-F257 WeakPolarHBondContact O-CZ 3.31Å; A199-F257 HydrophobicContact CB-CD1 3.57Å; A199-F257 HydrophobicContact CB-CE1 3.62Å; M205-F257 HydrophobicContact CE-CB 4.13Å; M205-F257 HydrophobicContact CE-CD1 3.46Å; M205-F257 VanDerWaalsContact CE-CD1 3.46Å; M205-F257 HydrophobicContact CE-CD2 4.12Å; M205-F257 HydrophobicContact CE-CE1 3.79Å; M205-F257 HydrophobicContact CE-CE2 4.39Å; M205-F257 HydrophobicContact CE-CG 3.63Å; M205-F257 HydrophobicContact CE-CZ 4.25Å; M205-F257 HydrophobicContact SD-CD1 4.47Å; L254-F257 HydrophobicContact CD2-CB 4.27Å; L254-F257 HydrophobicContact CD2-CD1 4.22Å; F257-F259 HydrophobicContact CE2-CD2 4.42Å; F257-F259 HydrophobicContact CE2-CE2 4.06Å; F257-L266 HydrophobicContact CB-CD1 4.16Å; F257-L266 HydrophobicContact CD2-CD1 3.52Å; F257-L266 HydrophobicContact CE2-CD1 4.29Å; F257-L266 HydrophobicContact CG-CD1 4.17Å; F257-A267 CarbonylContact C-O 3.53Å; F257-A267 WeakPolarHBondContact CA-O 3.49Å; F257-A267 WeakPolarHBondContact CB-O 3.39Å |
| 258 | A | 98.9 | Very high | 97.7 | Very high | 21 Ų | 21 | 30.1 Ų | 30.1 | 17% | 0.174 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 131.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | A267 V299 W301 | A258-A267 PolarHBondContact N-O 3.41Å; A258-A267 PolarHBondContact O-N 3.2Å; A258-V299 HydrophobicContact CB-CG1 4.12Å; A258-W301 PolarHBondContact O-NE1 3.49Å |
| 259 | F | 98.8 | Very high | 97.7 | Very high | 28 Ų | 28 | 28.6 Ų | 28.6 | 12% | 0.123 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 147.4 | 168.3 | -75.3 | -84 | 0 | 0 | 0 | 110.4 | V189 P190 L197 F257 F265 L266 F280 | V189-F259 HydrophobicContact CG2-CZ 4.25Å; P190-F259 HydrophobicContact CG-CB 3.65Å; P190-F259 HydrophobicContact CG-CD1 3.97Å; P190-F259 HydrophobicContact CG-CD2 3.95Å; P190-F259 HydrophobicContact CG-CG 3.59Å; L197-F259 HydrophobicContact CD2-CE2 4.23Å; L197-F259 HydrophobicContact CD2-CZ 3.89Å; F257-F259 HydrophobicContact CE2-CD2 4.42Å; F257-F259 HydrophobicContact CE2-CE2 4.06Å; F259-F265 CarbonylContact C-O 3.45Å; F259-F265 WeakPolarHBondContact CA-O 3.47Å; F259-L266 HydrophobicContact CD1-CD1 4.06Å; F259-L266 HydrophobicContact CD2-CD1 4.19Å; F259-L266 HydrophobicContact CE1-CD1 4.03Å; F259-L266 HydrophobicContact CE2-CD1 4.15Å; F259-L266 HydrophobicContact CG-CD1 4.15Å; F259-L266 HydrophobicContact CZ-CD1 4.07Å; F259-F280 HydrophobicContact CE1-CB 4.4Å; F259-F280 HydrophobicContact CE1-CD1 4.03Å; F259-F280 AromaticContact CE1-CD2 3.65Å; F259-F280 HydrophobicContact CE1-CD2 3.65Å; F259-F280 HydrophobicContact CE1-CE1 4.17Å; F259-F280 AromaticContact CE1-CE2 3.82Å; F259-F280 HydrophobicContact CE1-CE2 3.82Å; F259-F280 AromaticContact CE1-CG 3.76Å; F259-F280 HydrophobicContact CE1-CG 3.76Å; F259-F280 HydrophobicContact CE1-CZ 4.07Å; F259-F280 HydrophobicContact CZ-CD2 4.13Å; F259-F280 HydrophobicContact CZ-CE1 4.46Å; F259-F280 AromaticContact CZ-CE2 3.83Å; F259-F280 HydrophobicContact CZ-CE2 3.83Å; F259-F280 HydrophobicContact CZ-CZ 4Å |
| 260 | S | 98.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | trans | -62.9 | 157.2 | 166.9 | 54 | 0 | 0 | 0 | 0 | 110.7 | D262 G263 K264 F265 | S260-D262 VanDerWaalsContact CB-OD1 3.28Å; S260-D262 WeakPolarHBondContact CB-OD1 3.38Å; S260-D262 PolarHBondContact O-N 2.82Å; S260-D262 PolarHBondContact OG-OD1 3.06Å; S260-G263 WeakPolarHBondContact O-CA 3.45Å; S260-G263 PolarHBondContact O-N 3.09Å; S260-K264 PolarHBondContact OG-N 2.72Å; S260-F265 PolarHBondContact N-O 2.87Å; S260-F265 PolarHBondContact OG-N 2.82Å; S260-F265 PolarHBondContact OG-O 3Å | ||
| 261 | P | 97.2 | Very high | 97.9 | Very high | 77 Ų | 77 | 31 Ų | 31 | 50% | 0.5 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -30.8 | 179.5 | -25.4 | 34.5 | 0 | 0 | 0 | 113.9 | G263 W301 S302 P303 | P261-G263 VanDerWaalsContact C-N 3.31Å; P261-W301 HydrophobicContact CG-CB 4.35Å; P261-S302 VanDerWaalsContact CG-O 3.28Å; P261-S302 WeakPolarHBondContact CG-O 3.35Å; P261-P303 WeakPolarHBondContact CB-O 3.48Å; P261-P303 WeakPolarHBondContact CG-O 3.08Å |
| 262 | D | 95.3 | Very high | 98.1 | Very high | 84 Ų | 84 | 27.7 Ų | 27.7 | 45% | 0.449 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -2.9 | 175.8 | 71.2 | -9.4 | 0 | 0 | 0 | 114 | S260 K264 | S260-D262 VanDerWaalsContact CB-OD1 3.28Å; S260-D262 WeakPolarHBondContact CB-OD1 3.38Å; S260-D262 PolarHBondContact O-N 2.82Å; S260-D262 PolarHBondContact OG-OD1 3.06Å; D262-K264 PolarHBondContact O-N 2.91Å; D262-K264 PolarHBondContact OD1-N 3.16Å; D262-K264 VanDerWaalsContact OD1-N 3.1Å |
| 263 | G | 96.8 | Very high | 98.1 | Very high | 15 Ų | 15 | 25.6 Ų | 25.6 | 16% | 0.155 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 74.6 | -2.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | S260 P261 | S260-G263 WeakPolarHBondContact O-CA 3.45Å; S260-G263 PolarHBondContact O-N 3.09Å; P261-G263 VanDerWaalsContact C-N 3.31Å |
| 264 | K | 97.7 | Very high | 98.1 | Very high | 82 Ų | 82 | 25.7 Ų | 25.7 | 36% | 0.357 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -84.5 | -24.9 | -172.4 | -64.4 | -178.4 | -174.6 | 169.9 | 0 | 114.2 | S260 D262 F280 | S260-K264 PolarHBondContact OG-N 2.72Å; D262-K264 PolarHBondContact O-N 2.91Å; D262-K264 PolarHBondContact OD1-N 3.16Å; D262-K264 VanDerWaalsContact OD1-N 3.1Å; K264-F280 WeakPolarHBondContact O-CB 3.23Å; K264-F280 PolarHBondContact O-N 3.21Å |
| 265 | F | 98.8 | Very high | 98.2 | Very high | 32 Ų | 32 | 25.7 Ų | 25.7 | 14% | 0.14 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 153 | -176 | -64.5 | -89.7 | 0 | 0 | 0 | 111.7 | F259 S260 V277 F278 N279 H286 W301 F322 | F259-F265 CarbonylContact C-O 3.45Å; F259-F265 WeakPolarHBondContact CA-O 3.47Å; S260-F265 PolarHBondContact N-O 2.87Å; S260-F265 PolarHBondContact OG-N 2.82Å; S260-F265 PolarHBondContact OG-O 3Å; F265-V277 HydrophobicContact CB-CG1 4.37Å; F265-F278 CarbonylContact C-O 3.41Å; F265-F278 WeakPolarHBondContact CA-O 3.4Å; F265-F278 WeakPolarHBondContact CD1-O 3.43Å; F265-N279 HydrophobicContact CD1-CB 4.13Å; F265-N279 HydrophobicContact CE1-CB 3.86Å; F265-H286 HydrophobicContact CD1-CB 4.48Å; F265-H286 HydrophobicContact CE1-CB 4.38Å; F265-W301 HydrophobicContact CB-CH2 3.75Å; F265-W301 HydrophobicContact CB-CZ2 3.84Å; F265-W301 HydrophobicContact CG-CH2 4.5Å; F265-F322 HydrophobicContact CB-CE2 4.46Å; F265-F322 AromaticContact CD1-CE2 3.81Å; F265-F322 HydrophobicContact CD1-CE2 3.81Å; F265-F322 AromaticContact CD1-CZ 3.79Å; F265-F322 HydrophobicContact CD1-CZ 3.79Å; F265-F322 HydrophobicContact CD2-CE2 4.26Å; F265-F322 AromaticContact CD2-CZ 3.8Å; F265-F322 HydrophobicContact CD2-CZ 3.8Å; F265-F322 HydrophobicContact CE1-CE2 4.09Å; F265-F322 AromaticContact CE1-CZ 3.66Å; F265-F322 HydrophobicContact CE1-CZ 3.66Å; F265-F322 HydrophobicContact CE2-CE1 4.36Å; F265-F322 AromaticContact CE2-CZ 3.67Å; F265-F322 HydrophobicContact CE2-CZ 3.67Å; F265-F322 AromaticContact CG-CE2 3.92Å; F265-F322 HydrophobicContact CG-CE2 3.92Å; F265-F322 AromaticContact CG-CZ 3.88Å; F265-F322 HydrophobicContact CG-CZ 3.88Å; F265-F322 HydrophobicContact CZ-CE1 4.47Å; F265-F322 HydrophobicContact CZ-CE2 4.45Å; F265-F322 AromaticContact CZ-CZ 3.61Å; F265-F322 HydrophobicContact CZ-CZ 3.61Å |
| 266 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 112.8 | -177.7 | -177 | 70.3 | 0 | 0 | 0 | 109.3 | L197 M205 W247 F257 F259 V277 F278 F280 | L197-L266 HydrophobicContact CD2-CD1 4.13Å; L197-L266 HydrophobicContact CD2-CD2 3.79Å; M205-L266 HydrophobicContact CE-CD2 3.9Å; M205-L266 HydrophobicContact SD-CD2 4.45Å; W247-L266 HydrophobicContact CZ3-CD2 4.12Å; F257-L266 HydrophobicContact CB-CD1 4.16Å; F257-L266 HydrophobicContact CD2-CD1 3.52Å; F257-L266 HydrophobicContact CE2-CD1 4.29Å; F257-L266 HydrophobicContact CG-CD1 4.17Å; F259-L266 HydrophobicContact CD1-CD1 4.06Å; F259-L266 HydrophobicContact CD2-CD1 4.19Å; F259-L266 HydrophobicContact CE1-CD1 4.03Å; F259-L266 HydrophobicContact CE2-CD1 4.15Å; F259-L266 HydrophobicContact CG-CD1 4.15Å; F259-L266 HydrophobicContact CZ-CD1 4.07Å; L266-V277 CarbonylContact O-C 3.59Å; L266-V277 WeakPolarHBondContact O-CA 3.4Å; L266-F278 PolarHBondContact N-O 2.99Å; L266-F278 PolarHBondContact O-N 2.75Å; L266-F280 HydrophobicContact CB-CD2 4.41Å; L266-F280 HydrophobicContact CD2-CD2 4.15Å |
| 267 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 128.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | F257 A258 L275 V277 V299 W301 I308 | F257-A267 CarbonylContact C-O 3.53Å; F257-A267 WeakPolarHBondContact CA-O 3.49Å; F257-A267 WeakPolarHBondContact CB-O 3.39Å; A258-A267 PolarHBondContact N-O 3.41Å; A258-A267 PolarHBondContact O-N 3.2Å; A267-L275 HydrophobicContact CB-CD1 4.17Å; A267-V277 HydrophobicContact CB-CG2 4.33Å; A267-V299 HydrophobicContact CB-CG2 3.9Å; A267-W301 HydrophobicContact CB-CZ2 3.93Å; A267-I308 HydrophobicContact CB-CD1 4.01Å |
| 268 | C | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.007 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 134.2 | -179.2 | -63.8 | 0 | 0 | 0 | 0 | 110.3 | V249 L254 L275 R276 F278 | V249-C268 HydrophobicContact CG1-CB 4.43Å; L254-C268 HydrophobicContact CD1-CB 4.18Å; C268-L275 CarbonylContact O-C 3.59Å; C268-L275 WeakPolarHBondContact O-CA 3.34Å; C268-R276 PolarHBondContact N-O 3.49Å; C268-R276 PolarHBondContact O-N 2.82Å; C268-F278 HydrophobicContact CB-CE2 4.34Å |
| 269 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 135.2 | 173.9 | -71.8 | 0 | 0 | 0 | 0 | 111.4 | N255 E256 L275 L296 V299 T310 | N255-V269 PolarHBondContact N-O 2.83Å; E256-V269 HydrophobicContact CB-CG2 3.92Å; E256-V269 WeakPolarHBondContact O-CG2 3.49Å; E256-V269 PolarHBondContact O-N 3.01Å; V269-L275 HydrophobicContact CG1-CB 4.36Å; V269-L275 HydrophobicContact CG1-CD1 3.84Å; V269-L296 HydrophobicContact CB-CB 3.65Å; V269-L296 HydrophobicContact CG1-CB 3.81Å; V269-L296 HydrophobicContact CG1-CD1 3.97Å; V269-V299 HydrophobicContact CG1-CB 3.79Å; V269-V299 HydrophobicContact CG1-CG1 4.29Å; V269-V299 HydrophobicContact CG1-CG2 4.26Å; V269-V299 HydrophobicContact CG2-CB 4.05Å; V269-V299 HydrophobicContact CG2-CG1 3.92Å; V269-T310 HydrophobicContact CG1-CG2 3.89Å |
| 270 | S | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 163.1 | -172.8 | 43.8 | 0 | 0 | 0 | 0 | 113.8 | A253 D272 G273 F274 R276 L296 | A253-S270 CarbonylContact O-C 3.48Å; A253-S270 WeakPolarHBondContact O-CA 3.31Å; S270-D272 WeakPolarHBondContact CB-OD1 3.41Å; S270-D272 PolarHBondContact O-N 2.77Å; S270-D272 PolarHBondContact OG-OD1 3Å; S270-G273 PolarHBondContact O-N 3.01Å; S270-F274 PolarHBondContact N-O 2.85Å; S270-F274 PolarHBondContact OG-O 3.26Å; S270-R276 PolarHBondContact OG-NH1 2.89Å; S270-L296 PolarHBondContact O-N 2.78Å; S270-L296 VanDerWaalsContact O-N 3.12Å |
| 271 | Q | 98.3 | Very high | 97.9 | Very high | 73 Ų | 73 | 29.8 Ų | 29.8 | 34% | 0.341 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.1 | 179.9 | -167.4 | 61.9 | 38.1 | 0 | 0 | 113.5 | A253 N255 G273 G295 E313 | A253-Q271 HydrophobicContact CB-CB 4.33Å; A253-Q271 PolarHBondContact O-N 3.36Å; N255-Q271 PolarHBondContact ND2-OE1 2.77Å; Q271-G273 PolarHBondContact O-N 3.06Å; Q271-G295 WeakPolarHBondContact O-CA 3.32Å; Q271-E313 PolarHBondContact NE2-OE1 3.26Å; Q271-E313 PolarHBondContact NE2-OE2 3.36Å |
| 272 | D | 96.7 | Very high | 97.8 | Very high | 34 Ų | 34 | 28.4 Ų | 28.4 | 18% | 0.182 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -2.5 | 172.1 | 64.6 | 5.3 | 0 | 0 | 0 | 114.1 | E251 S270 F274 R276 K290 | E251-D272 HydrophobicContact CB-CB 4.41Å; E251-D272 PolarHBondContact N-OD2 3.43Å; E251-D272 VanDerWaalsContact N-OD2 3.15Å; E251-D272 WeakPolarHBondContact O-CB 3.38Å; E251-D272 PolarHBondContact O-N 3.31Å; S270-D272 WeakPolarHBondContact CB-OD1 3.41Å; S270-D272 PolarHBondContact O-N 2.77Å; S270-D272 PolarHBondContact OG-OD1 3Å; D272-F274 HydrophobicContact CB-CD2 4.26Å; D272-F274 WeakPolarHBondContact OD1-CB 3.29Å; D272-F274 PolarHBondContact OD1-N 3.22Å; D272-F274 VanDerWaalsContact OD1-N 3.07Å; D272-R276 IonicContact OD1-NH1 3.51Å; D272-R276 PolarHBondContact OD1-NH1 2.86Å; D272-R276 IonicContact OD2-CZ 2.72Å; D272-R276 IonicContact OD2-NH1 3.5Å; D272-R276 PolarHBondContact OD2-NH1 2.78Å; D272-R276 IonicContact OD2-NH2 3.84Å; D272-R276 PolarHBondContact OD2-NH2 2.81Å; D272-K290 PolarHBondContact O-NZ 2.68Å |
| 273 | G | 97.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 83.6 | 14.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | S270 Q271 K290 S291 G294 | S270-G273 PolarHBondContact O-N 3.01Å; Q271-G273 PolarHBondContact O-N 3.06Å; G273-K290 CarbonylContact O-C 3.5Å; G273-K290 WeakPolarHBondContact O-CA 3.24Å; G273-S291 WeakPolarHBondContact CA-OG 3.31Å; G273-S291 PolarHBondContact O-N 2.88Å; G273-S291 PolarHBondContact O-OG 2.94Å; G273-G294 WeakPolarHBondContact CA-O 3.42Å |
| 274 | F | 98.4 | Very high | 97.7 | Very high | 21 Ų | 21 | 29.1 Ų | 29.1 | 9% | 0.092 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 138.1 | 178 | -76.3 | -96.2 | 0 | 0 | 0 | 112.5 | S270 D272 R276 M289 K290 | S270-F274 PolarHBondContact N-O 2.85Å; S270-F274 PolarHBondContact OG-O 3.26Å; D272-F274 HydrophobicContact CB-CD2 4.26Å; D272-F274 WeakPolarHBondContact OD1-CB 3.29Å; D272-F274 PolarHBondContact OD1-N 3.22Å; D272-F274 VanDerWaalsContact OD1-N 3.07Å; F274-R276 HydrophobicContact CB-CG 4.32Å; F274-M289 CarbonylContact C-O 3.45Å; F274-M289 VanDerWaalsContact CA-O 3.31Å; F274-M289 WeakPolarHBondContact CA-O 3.36Å; F274-K290 HydrophobicContact CD1-CB 4.15Å; F274-K290 HydrophobicContact CD2-CD 4.42Å; F274-K290 HydrophobicContact CD2-CG 4.44Å; F274-K290 HydrophobicContact CE1-CB 4.01Å; F274-K290 HydrophobicContact CE1-CD 4.21Å; F274-K290 HydrophobicContact CE1-CG 4.37Å; F274-K290 HydrophobicContact CE2-CD 3.77Å; F274-K290 HydrophobicContact CE2-CG 4.25Å; F274-K290 HydrophobicContact CZ-CB 4.33Å; F274-K290 HydrophobicContact CZ-CD 3.66Å; F274-K290 HydrophobicContact CZ-CG 4.23Å |
| 275 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 132 | 153.6 | 171.2 | 66.6 | 0 | 0 | 0 | 107.1 | A267 C268 V269 V277 T288 M289 L296 V299 I308 T310 W320 | A267-L275 HydrophobicContact CB-CD1 4.17Å; C268-L275 CarbonylContact O-C 3.59Å; C268-L275 WeakPolarHBondContact O-CA 3.34Å; V269-L275 HydrophobicContact CG1-CB 4.36Å; V269-L275 HydrophobicContact CG1-CD1 3.84Å; L275-V277 HydrophobicContact CD1-CG2 4.28Å; L275-V277 HydrophobicContact CD2-CG2 4.41Å; L275-V277 HydrophobicContact CG-CG2 4.2Å; L275-T288 VanDerWaalsContact O-CA 3.24Å; L275-T288 WeakPolarHBondContact O-CA 3.36Å; L275-M289 HydrophobicContact CB-CB 4.22Å; L275-M289 HydrophobicContact CB-CE 3.87Å; L275-M289 HydrophobicContact CD2-CB 4.38Å; L275-M289 PolarHBondContact N-O 3.06Å; L275-M289 PolarHBondContact O-N 2.87Å; L275-L296 HydrophobicContact CB-CD1 3.9Å; L275-L296 VanDerWaalsContact N-CD1 3.33Å; L275-V299 HydrophobicContact CD1-CG2 4.01Å; L275-I308 HydrophobicContact CD1-CG2 4.29Å; L275-I308 HydrophobicContact CD2-CG2 4.03Å; L275-T310 HydrophobicContact CB-CG2 4.3Å; L275-T310 HydrophobicContact CD1-CG2 4.04Å; L275-T310 HydrophobicContact CD2-CG2 3.96Å; L275-T310 HydrophobicContact CG-CG2 4.32Å; L275-W320 HydrophobicContact CD2-CB 4.31Å; L275-W320 HydrophobicContact CD2-CD2 4.21Å; L275-W320 HydrophobicContact CD2-CE3 4.35Å; L275-W320 HydrophobicContact CD2-CG 4.2Å |
| 276 | R | 98.7 | Very high | 97.7 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 2% | 0.019 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.6 | 171.9 | -60.4 | -174 | 177 | 82.5 | -1.1 | 108.8 | C268 S270 D272 F274 F278 L285 T288 | C268-R276 PolarHBondContact N-O 3.49Å; C268-R276 PolarHBondContact O-N 2.82Å; S270-R276 PolarHBondContact OG-NH1 2.89Å; D272-R276 IonicContact OD1-NH1 3.51Å; D272-R276 PolarHBondContact OD1-NH1 2.86Å; D272-R276 IonicContact OD2-CZ 2.72Å; D272-R276 IonicContact OD2-NH1 3.5Å; D272-R276 PolarHBondContact OD2-NH1 2.78Å; D272-R276 IonicContact OD2-NH2 3.84Å; D272-R276 PolarHBondContact OD2-NH2 2.81Å; F274-R276 HydrophobicContact CB-CG 4.32Å; R276-F278 HydrophobicContact CB-CD2 4.48Å; R276-F278 HydrophobicContact CB-CE2 3.62Å; R276-F278 HydrophobicContact CB-CZ 3.79Å; R276-L285 HydrophobicContact CB-CD1 3.94Å; R276-L285 HydrophobicContact CG-CD1 4.47Å; R276-T288 HydrophobicContact CG-CG2 4.06Å |
| 277 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 125.2 | 178.5 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | F265 L266 A267 L275 H286 G287 W301 I308 W320 F322 | F265-V277 HydrophobicContact CB-CG1 4.37Å; L266-V277 CarbonylContact O-C 3.59Å; L266-V277 WeakPolarHBondContact O-CA 3.4Å; A267-V277 HydrophobicContact CB-CG2 4.33Å; L275-V277 HydrophobicContact CD1-CG2 4.28Å; L275-V277 HydrophobicContact CD2-CG2 4.41Å; L275-V277 HydrophobicContact CG-CG2 4.2Å; V277-H286 HydrophobicContact CG1-CB 4.42Å; V277-H286 WeakPolarHBondContact O-CB 3.34Å; V277-H286 PolarHBondContact O-N 3.17Å; V277-G287 PolarHBondContact N-O 2.68Å; V277-G287 PolarHBondContact O-N 3.4Å; V277-W301 HydrophobicContact CG1-CH2 3.81Å; V277-W301 HydrophobicContact CG1-CZ2 3.9Å; V277-I308 HydrophobicContact CG1-CD1 4.4Å; V277-I308 HydrophobicContact CG2-CD1 3.44Å; V277-I308 VanDerWaalsContact CG2-CD1 3.44Å; V277-W320 HydrophobicContact CB-CH2 4.47Å; V277-W320 HydrophobicContact CG2-CH2 4.02Å; V277-W320 HydrophobicContact CG2-CZ3 3.81Å; V277-F322 HydrophobicContact CG1-CD2 4.26Å; V277-F322 HydrophobicContact CG1-CE2 4Å |
| 278 | F | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 145.9 | -179.1 | -58.7 | -84.2 | 0 | 0 | 0 | 110.8 | F230 W247 V249 F265 L266 C268 R276 E284 L285 | F230-F278 HydrophobicContact CB-CE1 4.17Å; F230-F278 HydrophobicContact CB-CZ 4.16Å; F230-F278 AromaticContact CD1-CE1 3.75Å; F230-F278 HydrophobicContact CD1-CE1 3.75Å; F230-F278 HydrophobicContact CD1-CZ 4.43Å; F230-F278 AromaticContact CD2-CE1 3.95Å; F230-F278 HydrophobicContact CD2-CE1 3.95Å; F230-F278 HydrophobicContact CE1-CE1 4.06Å; F230-F278 HydrophobicContact CE2-CE1 4.24Å; F230-F278 AromaticContact CG-CE1 3.69Å; F230-F278 HydrophobicContact CG-CE1 3.69Å; F230-F278 HydrophobicContact CG-CZ 4.19Å; F230-F278 HydrophobicContact CZ-CE1 4.3Å; W247-F278 HydrophobicContact CH2-CB 3.77Å; W247-F278 HydrophobicContact CH2-CD1 4.39Å; W247-F278 HydrophobicContact CH2-CG 4Å; W247-F278 HydrophobicContact CZ2-CB 3.77Å; W247-F278 AromaticContact CZ2-CD1 3.53Å; W247-F278 HydrophobicContact CZ2-CD1 3.53Å; W247-F278 HydrophobicContact CZ2-CD2 4.03Å; W247-F278 HydrophobicContact CZ2-CE1 4.06Å; W247-F278 AromaticContact CZ2-CG 3.5Å; W247-F278 HydrophobicContact CZ2-CG 3.5Å; W247-F278 VanDerWaalsContact CZ2-CG 3.5Å; V249-F278 HydrophobicContact CG1-CE2 4.16Å; V249-F278 HydrophobicContact CG1-CZ 4.2Å; V249-F278 HydrophobicContact CG2-CE2 4.38Å; V249-F278 HydrophobicContact CG2-CZ 4.44Å; F265-F278 CarbonylContact C-O 3.41Å; F265-F278 WeakPolarHBondContact CA-O 3.4Å; F265-F278 WeakPolarHBondContact CD1-O 3.43Å; L266-F278 PolarHBondContact N-O 2.99Å; L266-F278 PolarHBondContact O-N 2.75Å; C268-F278 HydrophobicContact CB-CE2 4.34Å; R276-F278 HydrophobicContact CB-CD2 4.48Å; R276-F278 HydrophobicContact CB-CE2 3.62Å; R276-F278 HydrophobicContact CB-CZ 3.79Å; F278-E284 CarbonylContact C-O 3.56Å; F278-E284 WeakPolarHBondContact CA-O 3.15Å; F278-L285 HydrophobicContact CD1-CB 4.1Å; F278-L285 HydrophobicContact CD1-CD1 3.89Å; F278-L285 HydrophobicContact CE1-CB 4.05Å; F278-L285 HydrophobicContact CE1-CD1 3.53Å; F278-L285 HydrophobicContact CE1-CG 4.38Å; F278-L285 HydrophobicContact CZ-CD1 3.9Å |
| 279 | N | 98.3 | Very high | 97.5 | Very high | 43 Ų | 43 | 31.4 Ų | 31.4 | 23% | 0.23 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 123.5 | 155.7 | -177.2 | -51.7 | 0 | 0 | 0 | 107.7 | F265 D281 S282 V283 E284 | F265-N279 HydrophobicContact CD1-CB 4.13Å; F265-N279 HydrophobicContact CE1-CB 3.86Å; N279-D281 PolarHBondContact OD1-N 3.26Å; N279-D281 VanDerWaalsContact OD1-N 3.13Å; N279-S282 VanDerWaalsContact CB-OG 3.32Å; N279-S282 WeakPolarHBondContact CB-OG 3.43Å; N279-S282 VanDerWaalsContact CG-OG 3.24Å; N279-S282 PolarHBondContact OD1-N 3.35Å; N279-S282 PolarHBondContact OD1-OG 2.71Å; N279-V283 WeakPolarHBondContact O-CA 3.41Å; N279-V283 PolarHBondContact O-N 3.19Å; N279-E284 PolarHBondContact N-O 2.89Å; N279-E284 PolarHBondContact O-N 2.97Å |
| 280 | F | 97.6 | Very high | 97.4 | Very high | 30 Ų | 30 | 32.5 Ų | 32.5 | 13% | 0.132 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -40.9 | -171.5 | -176.1 | -108.6 | 0 | 0 | 0 | 112.3 | V189 L197 L207 W247 F259 K264 L266 | V189-F280 HydrophobicContact CG1-CE1 3.85Å; V189-F280 HydrophobicContact CG1-CZ 4.3Å; V189-F280 HydrophobicContact CG2-CE1 4.41Å; V189-F280 HydrophobicContact CG2-CZ 4.06Å; L197-F280 HydrophobicContact CD2-CE2 3.95Å; L207-F280 HydrophobicContact CD1-CZ 4.37Å; W247-F280 HydrophobicContact CZ3-CD2 4.17Å; W247-F280 HydrophobicContact CZ3-CE2 4.46Å; F259-F280 HydrophobicContact CE1-CB 4.4Å; F259-F280 HydrophobicContact CE1-CD1 4.03Å; F259-F280 AromaticContact CE1-CD2 3.65Å; F259-F280 HydrophobicContact CE1-CD2 3.65Å; F259-F280 HydrophobicContact CE1-CE1 4.17Å; F259-F280 AromaticContact CE1-CE2 3.82Å; F259-F280 HydrophobicContact CE1-CE2 3.82Å; F259-F280 AromaticContact CE1-CG 3.76Å; F259-F280 HydrophobicContact CE1-CG 3.76Å; F259-F280 HydrophobicContact CE1-CZ 4.07Å; F259-F280 HydrophobicContact CZ-CD2 4.13Å; F259-F280 HydrophobicContact CZ-CE1 4.46Å; F259-F280 AromaticContact CZ-CE2 3.83Å; F259-F280 HydrophobicContact CZ-CE2 3.83Å; F259-F280 HydrophobicContact CZ-CZ 4Å; K264-F280 WeakPolarHBondContact O-CB 3.23Å; K264-F280 PolarHBondContact O-N 3.21Å; L266-F280 HydrophobicContact CB-CD2 4.41Å; L266-F280 HydrophobicContact CD2-CD2 4.15Å |
| 281 | D | 94.6 | Very high | 97.4 | Very high | 128 Ų | 128 | 32.6 Ų | 32.6 | 68% | 0.684 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -44.4 | -177 | -65.9 | -37.6 | 0 | 0 | 0 | 112 | N279 V283 | N279-D281 PolarHBondContact OD1-N 3.26Å; N279-D281 VanDerWaalsContact OD1-N 3.13Å; D281-V283 VanDerWaalsContact C-N 3.3Å |
| 282 | S | 95.9 | Very high | 97.2 | Very high | 49 Ų | 49 | 31.6 Ų | 31.6 | 34% | 0.343 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -14.6 | 179.3 | 76.6 | 0 | 0 | 0 | 0 | 113.3 | N279 E284 | N279-S282 VanDerWaalsContact CB-OG 3.32Å; N279-S282 WeakPolarHBondContact CB-OG 3.43Å; N279-S282 VanDerWaalsContact CG-OG 3.24Å; N279-S282 PolarHBondContact OD1-N 3.35Å; N279-S282 PolarHBondContact OD1-OG 2.71Å; S282-E284 VanDerWaalsContact C-N 3.33Å |
| 283 | V | 95.8 | Very high | 97.1 | Very high | 17 Ų | 17 | 37.2 Ų | 37.2 | 10% | 0.103 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 46.1 | -179.1 | -164.2 | 0 | 0 | 0 | 0 | 111.1 | V232 W247 N279 D281 | V232-V283 HydrophobicContact CB-CG1 3.82Å; V232-V283 HydrophobicContact CG1-CG1 4.02Å; V232-V283 HydrophobicContact CG2-CG1 3.27Å; W247-V283 HydrophobicContact CH2-CG1 3.92Å; W247-V283 HydrophobicContact CZ2-CG1 3.83Å; W247-V283 HydrophobicContact CZ3-CG1 4.39Å; N279-V283 WeakPolarHBondContact O-CA 3.41Å; N279-V283 PolarHBondContact O-N 3.19Å; D281-V283 VanDerWaalsContact C-N 3.3Å |
| 284 | E | 94.5 | Very high | 97.1 | Very high | 97 Ų | 97 | 38.2 Ų | 38.2 | 45% | 0.453 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 146.4 | -177.7 | -69.9 | -176.9 | 160.6 | 0 | 0 | 112 | K225 F278 N279 S282 H286 | K225-E284 VanDerWaalsContact NZ-CG 3.33Å; K225-E284 IonicContact NZ-OE1 3.93Å; K225-E284 PolarHBondContact NZ-OE1 3.3Å; F278-E284 CarbonylContact C-O 3.56Å; F278-E284 WeakPolarHBondContact CA-O 3.15Å; N279-E284 PolarHBondContact N-O 2.89Å; N279-E284 PolarHBondContact O-N 2.97Å; S282-E284 VanDerWaalsContact C-N 3.33Å; E284-H286 PolarHBondContact O-N 3.42Å |
| 285 | L | 97.6 | Very high | 97 | Very high | 49 Ų | 49 | 37.2 Ų | 37.2 | 26% | 0.257 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 118.9 | 176.7 | -177.3 | 68.7 | 0 | 0 | 0 | 109.4 | F230 R276 F278 T288 | F230-L285 HydrophobicContact CD1-CB 4.36Å; F230-L285 HydrophobicContact CE1-CB 3.66Å; F230-L285 HydrophobicContact CE1-CD2 4.37Å; F230-L285 HydrophobicContact CZ-CB 4.25Å; R276-L285 HydrophobicContact CB-CD1 3.94Å; R276-L285 HydrophobicContact CG-CD1 4.47Å; F278-L285 HydrophobicContact CD1-CB 4.1Å; F278-L285 HydrophobicContact CD1-CD1 3.89Å; F278-L285 HydrophobicContact CE1-CB 4.05Å; F278-L285 HydrophobicContact CE1-CD1 3.53Å; F278-L285 HydrophobicContact CE1-CG 4.38Å; F278-L285 HydrophobicContact CZ-CD1 3.9Å; L285-T288 HydrophobicContact CD1-CG2 3.84Å; L285-T288 HydrophobicContact CD2-CG2 3.73Å; L285-T288 HydrophobicContact CG-CG2 4.12Å |
| 286 | H | 97.9 | Very high | 97 | Very high | 74 Ų | 74 | 37.2 Ų | 37.2 | 34% | 0.343 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -44.6 | 177.2 | 177.8 | 77.1 | 0 | 0 | 0 | 111.9 | F265 V277 E284 F322 C325 | F265-H286 HydrophobicContact CD1-CB 4.48Å; F265-H286 HydrophobicContact CE1-CB 4.38Å; V277-H286 HydrophobicContact CG1-CB 4.42Å; V277-H286 WeakPolarHBondContact O-CB 3.34Å; V277-H286 PolarHBondContact O-N 3.17Å; E284-H286 PolarHBondContact O-N 3.42Å; H286-F322 AromaticContact CD2-CD2 3.8Å; H286-F322 AromaticContact CD2-CE2 3.34Å; H286-F322 WeakPolarHBondContact CD2-CE2 3.39Å; H286-F322 AromaticContact CD2-CZ 3.89Å; H286-F322 AromaticContact CE1-CZ 3.79Å; H286-F322 AromaticContact CG-CE2 3.96Å; H286-F322 AromaticContact NE2-CD2 3.76Å; H286-F322 AromaticContact NE2-CE2 3.41Å; H286-F322 WeakPolarHBondContact NE2-CE2 3.49Å; H286-F322 AromaticContact NE2-CZ 3.57Å; H286-F322 PolarHBondContact NE2-O 2.99Å; H286-C325 PolarHBondContact NE2-SG 3.48Å; H286-C325 VanDerWaalsContact NE2-SG 3.42Å |
| 287 | G | 97.2 | Very high | 97 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 9% | 0.093 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 160.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V277 | V277-G287 PolarHBondContact N-O 2.68Å; V277-G287 PolarHBondContact O-N 3.4Å |
| 288 | T | 97.9 | Very high | 97 | Very high | 29 Ų | 29 | 38.4 Ų | 38.4 | 18% | 0.178 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 156.5 | 176.7 | 65.1 | 0 | 0 | 0 | 0 | 111.8 | L275 R276 L285 L544 | L275-T288 VanDerWaalsContact O-CA 3.24Å; L275-T288 WeakPolarHBondContact O-CA 3.36Å; R276-T288 HydrophobicContact CG-CG2 4.06Å; L285-T288 HydrophobicContact CD1-CG2 3.84Å; L285-T288 HydrophobicContact CD2-CG2 3.73Å; L285-T288 HydrophobicContact CG-CG2 4.12Å; T288-L544 WeakPolarHBondContact O-CD2 3.31Å; T288-L544 VanDerWaalsContact OG1-CD2 3.31Å; T288-L544 WeakPolarHBondContact OG1-CD2 3.45Å |
| 289 | M | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 145.2 | 173.5 | 177.6 | -127.7 | 65.1 | 0 | 0 | 108.7 | F274 L275 L296 T318 W320 V327 | F274-M289 CarbonylContact C-O 3.45Å; F274-M289 VanDerWaalsContact CA-O 3.31Å; F274-M289 WeakPolarHBondContact CA-O 3.36Å; L275-M289 HydrophobicContact CB-CB 4.22Å; L275-M289 HydrophobicContact CB-CE 3.87Å; L275-M289 HydrophobicContact CD2-CB 4.38Å; L275-M289 PolarHBondContact N-O 3.06Å; L275-M289 PolarHBondContact O-N 2.87Å; M289-L296 HydrophobicContact CE-CD1 3.42Å; M289-L296 VanDerWaalsContact CE-CD1 3.42Å; M289-L296 HydrophobicContact CE-CD2 4.43Å; M289-L296 HydrophobicContact CE-CG 4.49Å; M289-T318 HydrophobicContact SD-CG2 3.52Å; M289-T318 VanDerWaalsContact SD-CG2 3.52Å; M289-W320 HydrophobicContact CB-CG 4.49Å; M289-V327 HydrophobicContact CG-CG2 3.53Å; M289-V327 HydrophobicContact SD-CG2 4Å |
| 290 | K | 97.1 | Very high | 97.1 | Very high | 24 Ų | 24 | 37.4 Ų | 37.4 | 10% | 0.104 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 137.9 | 177.7 | -171.1 | 172.4 | 174.8 | 46.9 | 0 | 111.7 | D272 G273 F274 T539 L544 C545 | D272-K290 PolarHBondContact O-NZ 2.68Å; G273-K290 CarbonylContact O-C 3.5Å; G273-K290 WeakPolarHBondContact O-CA 3.24Å; F274-K290 HydrophobicContact CD1-CB 4.15Å; F274-K290 HydrophobicContact CD2-CD 4.42Å; F274-K290 HydrophobicContact CD2-CG 4.44Å; F274-K290 HydrophobicContact CE1-CB 4.01Å; F274-K290 HydrophobicContact CE1-CD 4.21Å; F274-K290 HydrophobicContact CE1-CG 4.37Å; F274-K290 HydrophobicContact CE2-CD 3.77Å; F274-K290 HydrophobicContact CE2-CG 4.25Å; F274-K290 HydrophobicContact CZ-CB 4.33Å; F274-K290 HydrophobicContact CZ-CD 3.66Å; F274-K290 HydrophobicContact CZ-CG 4.23Å; K290-T539 HydrophobicContact CD-CG2 4.08Å; K290-L544 PolarHBondContact N-O 3.07Å; K290-C545 HydrophobicContact CB-CB 4.22Å; K290-C545 PolarHBondContact O-SG 2.85Å; K290-C545 VanDerWaalsContact O-SG 3.42Å |
| 291 | S | 96.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | trans | -59.4 | 165.4 | 170 | 60.8 | 0 | 0 | 0 | 0 | 111.8 | G273 F293 G294 C545 | G273-S291 WeakPolarHBondContact CA-OG 3.31Å; G273-S291 PolarHBondContact O-N 2.88Å; G273-S291 PolarHBondContact O-OG 2.94Å; S291-F293 PolarHBondContact OG-O 2.91Å; S291-G294 PolarHBondContact OG-O 3.36Å; S291-C545 PolarHBondContact O-SG 3.23Å; S291-C545 VanDerWaalsContact O-SG 3.34Å | ||
| 292 | Y | 95.4 | Very high | 97.3 | Very high | 53 Ų | 53 | 30.9 Ų | 30.9 | 21% | 0.208 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -70.8 | -41.3 | 170 | -76.9 | -49 | 0 | 0 | 0 | 111.4 | D314 L316 R330 L540 C545 P546 R547 M548 | Y292-D314 PolarHBondContact N-OD2 2.77Å; Y292-L316 HydrophobicContact CD2-CD1 3.58Å; Y292-L316 HydrophobicContact CE2-CD1 3.98Å; Y292-R330 PolarHBondContact OH-NH1 2.85Å; Y292-L540 HydrophobicContact CD1-CD1 3.52Å; Y292-L540 HydrophobicContact CE1-CD1 3.49Å; Y292-L540 VanDerWaalsContact CE1-CD1 3.49Å; Y292-C545 VanDerWaalsContact CD1-SG 3.51Å; Y292-P546 WeakPolarHBondContact CE1-O 3.36Å; Y292-P546 VanDerWaalsContact CZ-O 3.29Å; Y292-P546 PolarHBondContact OH-O 3.48Å; Y292-R547 PolarHBondContact OH-O 3.47Å; Y292-M548 HydrophobicContact CD2-CE 3.97Å; Y292-M548 HydrophobicContact CE2-CE 3.49Å; Y292-M548 VanDerWaalsContact CE2-CE 3.49Å; Y292-M548 HydrophobicContact CE2-SD 3.65Å; Y292-M548 WeakPolarHBondContact OH-CA 3.42Å; Y292-M548 PolarHBondContact OH-N 2.83Å |
| 293 | F | 94.5 | Very high | 97.3 | Very high | 151 Ų | 151 | 30.3 Ų | 30.3 | 66% | 0.662 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -153.2 | 152.1 | -177.9 | -179.8 | -98.1 | 0 | 0 | 0 | 110.3 | S291 D314 | S291-F293 PolarHBondContact OG-O 2.91Å; F293-D314 HydrophobicContact CB-CB 4.31Å; F293-D314 WeakPolarHBondContact O-CB 3.33Å |
| 294 | G | 96 | Very high | 97.3 | Very high | 21 Ų | 21 | 31.3 Ų | 31.3 | 22% | 0.216 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 64.9 | -176.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | G273 S291 E313 | G273-G294 WeakPolarHBondContact CA-O 3.42Å; S291-G294 PolarHBondContact OG-O 3.36Å; G294-E313 WeakPolarHBondContact CA-OE2 3.14Å |
| 295 | G | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -74.5 | 156.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q271 G312 E313 | Q271-G295 WeakPolarHBondContact O-CA 3.32Å; G295-G312 WeakPolarHBondContact O-CA 3.41Å; G295-E313 PolarHBondContact N-OE2 2.93Å; G295-E313 PolarHBondContact O-N 3.04Å | ||
| 296 | L | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 133.1 | 164.8 | -66.8 | 177.9 | 0 | 0 | 0 | 108.8 | N255 V269 S270 L275 M289 T310 | N255-L296 PolarHBondContact ND2-O 2.79Å; V269-L296 HydrophobicContact CB-CB 3.65Å; V269-L296 HydrophobicContact CG1-CB 3.81Å; V269-L296 HydrophobicContact CG1-CD1 3.97Å; S270-L296 PolarHBondContact O-N 2.78Å; S270-L296 VanDerWaalsContact O-N 3.12Å; L275-L296 HydrophobicContact CB-CD1 3.9Å; L275-L296 VanDerWaalsContact N-CD1 3.33Å; M289-L296 HydrophobicContact CE-CD1 3.42Å; M289-L296 VanDerWaalsContact CE-CD1 3.42Å; M289-L296 HydrophobicContact CE-CD2 4.43Å; M289-L296 HydrophobicContact CE-CG 4.49Å; L296-T310 HydrophobicContact CD1-CG2 4.37Å |
| 297 | L | 98.8 | Very high | 97.4 | Very high | 30 Ų | 30 | 26.5 Ų | 26.5 | 16% | 0.157 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | -33.1 | -167.4 | -61.4 | 178.6 | 0 | 0 | 0 | 113.2 | G311 E313 W337 V338 | L297-G311 PolarHBondContact N-O 3.41Å; L297-E313 HydrophobicContact CD1-CG 4.04Å; L297-E313 HydrophobicContact CD2-CG 4.05Å; L297-E313 HydrophobicContact CG-CG 4.1Å; L297-W337 HydrophobicContact CD1-CB 3.68Å; L297-W337 HydrophobicContact CD1-CD2 4.25Å; L297-W337 HydrophobicContact CD1-CE3 3.9Å; L297-W337 HydrophobicContact CD1-CG 4.21Å; L297-V338 WeakPolarHBondContact CB-O 3.49Å; L297-V338 WeakPolarHBondContact CD1-O 3.3Å |
| 298 | C | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 155.4 | -176.4 | 54.4 | 0 | 0 | 0 | 0 | 112.5 | E256 T310 G311 V341 | E256-C298 WeakPolarHBondContact OE2-CA 3.46Å; E256-C298 VanDerWaalsContact OE2-CB 3.24Å; E256-C298 WeakPolarHBondContact OE2-CB 3.47Å; C298-T310 VanDerWaalsContact O-CA 3.28Å; C298-T310 WeakPolarHBondContact O-CA 3.24Å; C298-G311 PolarHBondContact N-O 2.92Å; C298-G311 PolarHBondContact O-N 2.89Å; C298-V341 HydrophobicContact CB-CG2 4.24Å |
| 299 | V | 98.9 | Very high | 97.5 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 3% | 0.03 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 141.5 | -177.1 | 63.8 | 0 | 0 | 0 | 0 | 112.2 | E256 A258 A267 V269 L275 I308 V309 T310 | E256-V299 HydrophobicContact CB-CG1 4.39Å; E256-V299 HydrophobicContact CG-CG1 4.25Å; E256-V299 PolarHBondContact OE2-N 2.76Å; A258-V299 HydrophobicContact CB-CG1 4.12Å; A267-V299 HydrophobicContact CB-CG2 3.9Å; V269-V299 HydrophobicContact CG1-CB 3.79Å; V269-V299 HydrophobicContact CG1-CG1 4.29Å; V269-V299 HydrophobicContact CG1-CG2 4.26Å; V269-V299 HydrophobicContact CG2-CB 4.05Å; V269-V299 HydrophobicContact CG2-CG1 3.92Å; L275-V299 HydrophobicContact CD1-CG2 4.01Å; V299-I308 HydrophobicContact CG2-CG2 3.42Å; V299-I308 VanDerWaalsContact CG2-CG2 3.42Å; V299-V309 WeakPolarHBondContact CA-O 3.25Å; V299-T310 HydrophobicContact CB-CG2 4.39Å; V299-T310 HydrophobicContact CG2-CG2 4.04Å |
| 300 | C | 98.9 | Very high | 97.6 | Very high | 16 Ų | 16 | 24.7 Ų | 24.7 | 11% | 0.108 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 153.5 | 170.3 | 69.5 | 0 | 0 | 0 | 0 | 112.2 | I308 V309 V341 A342 | C300-I308 WeakPolarHBondContact O-CA 3.39Å; C300-V309 PolarHBondContact N-O 3.46Å; C300-V309 PolarHBondContact O-N 2.87Å; C300-V341 HydrophobicContact CB-CG2 4.26Å; C300-V341 WeakPolarHBondContact CB-O 3.24Å; C300-V341 VanDerWaalsContact SG-C 3.57Å; C300-V341 PolarHBondContact SG-O 3.19Å; C300-A342 VanDerWaalsContact SG-CA 3.56Å |
| 301 | W | 98.8 | Very high | 97.7 | Very high | 22 Ų | 22 | 23.5 Ų | 23.5 | 8% | 0.083 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 149.4 | 174.3 | -69.6 | 85.6 | 0 | 0 | 0 | 111 | A258 P261 F265 A267 V277 G305 Y307 I308 F322 F343 | A258-W301 PolarHBondContact O-NE1 3.49Å; P261-W301 HydrophobicContact CG-CB 4.35Å; F265-W301 HydrophobicContact CB-CH2 3.75Å; F265-W301 HydrophobicContact CB-CZ2 3.84Å; F265-W301 HydrophobicContact CG-CH2 4.5Å; A267-W301 HydrophobicContact CB-CZ2 3.93Å; V277-W301 HydrophobicContact CG1-CH2 3.81Å; V277-W301 HydrophobicContact CG1-CZ2 3.9Å; W301-G305 WeakPolarHBondContact CZ3-O 3.39Å; W301-Y307 CarbonylContact C-O 3.59Å; W301-I308 HydrophobicContact CD2-CD1 4.14Å; W301-I308 HydrophobicContact CD2-CG1 3.81Å; W301-I308 HydrophobicContact CE3-CD1 4.09Å; W301-I308 HydrophobicContact CE3-CG1 3.68Å; W301-I308 HydrophobicContact CG-CG1 4.48Å; W301-I308 HydrophobicContact CH2-CD1 3.71Å; W301-I308 HydrophobicContact CH2-CG1 4.23Å; W301-I308 HydrophobicContact CZ2-CD1 3.72Å; W301-I308 HydrophobicContact CZ2-CG1 4.32Å; W301-I308 HydrophobicContact CZ3-CD1 3.89Å; W301-I308 HydrophobicContact CZ3-CG1 3.91Å; W301-F322 AromaticContact CH2-CD2 3.51Å; W301-F322 HydrophobicContact CH2-CD2 3.51Å; W301-F322 AromaticContact CH2-CE2 3.73Å; W301-F322 HydrophobicContact CH2-CE2 3.73Å; W301-F322 HydrophobicContact CH2-CG 4.34Å; W301-F322 HydrophobicContact CZ3-CB 4.25Å; W301-F322 AromaticContact CZ3-CD2 3.56Å; W301-F322 HydrophobicContact CZ3-CD2 3.56Å; W301-F322 HydrophobicContact CZ3-CE2 4.12Å; W301-F322 AromaticContact CZ3-CG 3.94Å; W301-F322 HydrophobicContact CZ3-CG 3.94Å; W301-F343 WeakPolarHBondContact O-CD2 3.36Å |
| 302 | S | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -63.6 | 153.6 | 163.5 | 64.6 | 0 | 0 | 0 | 0 | 110.2 | P261 D304 G305 K306 Y307 F343 | P261-S302 VanDerWaalsContact CG-O 3.28Å; P261-S302 WeakPolarHBondContact CG-O 3.35Å; S302-D304 WeakPolarHBondContact CB-OD1 3.46Å; S302-D304 PolarHBondContact O-N 2.8Å; S302-D304 VanDerWaalsContact O-N 3.13Å; S302-D304 PolarHBondContact OG-OD1 2.95Å; S302-G305 PolarHBondContact O-N 2.68Å; S302-G305 PolarHBondContact OG-N 2.92Å; S302-K306 PolarHBondContact OG-N 2.87Å; S302-K306 VanDerWaalsContact OG-N 3.07Å; S302-Y307 PolarHBondContact N-O 2.97Å; S302-Y307 PolarHBondContact OG-N 2.87Å; S302-Y307 PolarHBondContact OG-O 2.8Å; S302-F343 VanDerWaalsContact CA-CD2 3.48Å | ||
| 303 | P | 96 | Very high | 97.9 | Very high | 36 Ų | 36 | 22.3 Ų | 22.3 | 23% | 0.234 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -29.1 | -177.5 | -24.9 | 34.9 | 0 | 0 | 0 | 113.7 | P261 F343 P345 | P261-P303 WeakPolarHBondContact CB-O 3.48Å; P261-P303 WeakPolarHBondContact CG-O 3.08Å; P303-F343 HydrophobicContact CG-CB 4.31Å; P303-P345 HydrophobicContact CB-CB 4.37Å; P303-P345 HydrophobicContact CG-CB 3.94Å |
| 304 | D | 94.7 | Very high | 98 | Very high | 38 Ų | 38 | 16.4 Ų | 16.4 | 20% | 0.203 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 4.1 | 177.6 | 70.2 | -14.4 | 0 | 0 | 0 | 114.2 | S302 K306 V350 Y398 | S302-D304 WeakPolarHBondContact CB-OD1 3.46Å; S302-D304 PolarHBondContact O-N 2.8Å; S302-D304 VanDerWaalsContact O-N 3.13Å; S302-D304 PolarHBondContact OG-OD1 2.95Å; D304-K306 PolarHBondContact O-N 2.88Å; D304-K306 PolarHBondContact OD1-N 2.74Å; D304-K306 VanDerWaalsContact OD2-CD 3.28Å; D304-K306 WeakPolarHBondContact OD2-CD 3.46Å; D304-K306 WeakPolarHBondContact OD2-CE 3.32Å; D304-K306 WeakPolarHBondContact OD2-CG 3.4Å; D304-K306 IonicContact OD2-NZ 2.78Å; D304-K306 PolarHBondContact OD2-NZ 2.91Å; D304-V350 HydrophobicContact CB-CG1 3.98Å; D304-Y398 WeakPolarHBondContact OD1-CE1 3.3Å; D304-Y398 PolarHBondContact OD2-OH 2.51Å |
| 305 | G | 97 | Very high | 98.1 | Very high | 14 Ų | 14 | 17.5 Ų | 17.5 | 14% | 0.144 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 71.1 | 6.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | W301 S302 | W301-G305 WeakPolarHBondContact CZ3-O 3.39Å; S302-G305 PolarHBondContact O-N 2.68Å; S302-G305 PolarHBondContact OG-N 2.92Å |
| 306 | K | 97.3 | Very high | 98.2 | Very high | 88 Ų | 88 | 17.9 Ų | 17.9 | 38% | 0.383 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -82.8 | -24.1 | -176.6 | -64.6 | -170.6 | -164.9 | 117.4 | 0 | 114.7 | S302 D304 F322 | S302-K306 PolarHBondContact OG-N 2.87Å; S302-K306 VanDerWaalsContact OG-N 3.07Å; D304-K306 PolarHBondContact O-N 2.88Å; D304-K306 PolarHBondContact OD1-N 2.74Å; D304-K306 VanDerWaalsContact OD2-CD 3.28Å; D304-K306 WeakPolarHBondContact OD2-CD 3.46Å; D304-K306 WeakPolarHBondContact OD2-CE 3.32Å; D304-K306 WeakPolarHBondContact OD2-CG 3.4Å; D304-K306 IonicContact OD2-NZ 2.78Å; D304-K306 PolarHBondContact OD2-NZ 2.91Å; K306-F322 VanDerWaalsContact O-CB 3.29Å; K306-F322 WeakPolarHBondContact O-CB 3.28Å; K306-F322 PolarHBondContact O-N 3.02Å |
| 307 | Y | 98.4 | Very high | 98.2 | Very high | 17 Ų | 17 | 17.8 Ų | 17.8 | 7% | 0.067 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 150.4 | -175.9 | -56.8 | -78 | 0 | 0 | 0 | 111.2 | W301 S302 W320 Y398 L419 | W301-Y307 CarbonylContact C-O 3.59Å; S302-Y307 PolarHBondContact N-O 2.97Å; S302-Y307 PolarHBondContact OG-N 2.87Å; S302-Y307 PolarHBondContact OG-O 2.8Å; Y307-W320 CarbonylContact C-O 3.6Å; Y307-W320 WeakPolarHBondContact CA-O 3.26Å; Y307-Y398 HydrophobicContact CD2-CD2 4.42Å; Y307-Y398 HydrophobicContact CD2-CE1 4.18Å; Y307-Y398 AromaticContact CD2-CE2 3.84Å; Y307-Y398 HydrophobicContact CD2-CE2 3.84Å; Y307-Y398 AromaticContact CD2-CZ 3.71Å; Y307-Y398 HydrophobicContact CE2-CD2 4.36Å; Y307-Y398 HydrophobicContact CE2-CE1 4.47Å; Y307-Y398 AromaticContact CE2-CE2 3.5Å; Y307-Y398 HydrophobicContact CE2-CE2 3.5Å; Y307-Y398 VanDerWaalsContact CE2-CE2 3.5Å; Y307-Y398 AromaticContact CE2-CZ 3.56Å; Y307-Y398 WeakPolarHBondContact CE2-OH 3.28Å; Y307-L419 HydrophobicContact CD1-CD2 4.32Å; Y307-L419 HydrophobicContact CE1-CD2 3.57Å; Y307-L419 HydrophobicContact CE2-CD2 4.01Å; Y307-L419 WeakPolarHBondContact OH-CD2 3.4Å |
| 308 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 136 | 172.2 | -59.7 | 177 | 0 | 0 | 0 | 107.7 | A267 L275 V277 V299 C300 W301 T310 W320 | A267-I308 HydrophobicContact CB-CD1 4.01Å; L275-I308 HydrophobicContact CD1-CG2 4.29Å; L275-I308 HydrophobicContact CD2-CG2 4.03Å; V277-I308 HydrophobicContact CG1-CD1 4.4Å; V277-I308 HydrophobicContact CG2-CD1 3.44Å; V277-I308 VanDerWaalsContact CG2-CD1 3.44Å; V299-I308 HydrophobicContact CG2-CG2 3.42Å; V299-I308 VanDerWaalsContact CG2-CG2 3.42Å; C300-I308 WeakPolarHBondContact O-CA 3.39Å; W301-I308 HydrophobicContact CD2-CD1 4.14Å; W301-I308 HydrophobicContact CD2-CG1 3.81Å; W301-I308 HydrophobicContact CE3-CD1 4.09Å; W301-I308 HydrophobicContact CE3-CG1 3.68Å; W301-I308 HydrophobicContact CG-CG1 4.48Å; W301-I308 HydrophobicContact CH2-CD1 3.71Å; W301-I308 HydrophobicContact CH2-CG1 4.23Å; W301-I308 HydrophobicContact CZ2-CD1 3.72Å; W301-I308 HydrophobicContact CZ2-CG1 4.32Å; W301-I308 HydrophobicContact CZ3-CD1 3.89Å; W301-I308 HydrophobicContact CZ3-CG1 3.91Å; I308-T310 HydrophobicContact CG2-CG2 4.26Å; I308-W320 HydrophobicContact CB-CE3 4.17Å; I308-W320 HydrophobicContact CD1-CE3 3.72Å; I308-W320 HydrophobicContact CD1-CZ3 3.69Å; I308-W320 HydrophobicContact CG1-CE3 4.09Å; I308-W320 HydrophobicContact CG1-CZ3 4.42Å; I308-W320 PolarHBondContact N-O 2.97Å; I308-W320 PolarHBondContact O-N 2.98Å |
| 309 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 136.2 | 169.4 | 175.1 | 0 | 0 | 0 | 0 | 109.1 | V299 C300 V317 T318 V319 V341 F343 F400 | V299-V309 WeakPolarHBondContact CA-O 3.25Å; C300-V309 PolarHBondContact N-O 3.46Å; C300-V309 PolarHBondContact O-N 2.87Å; V309-V317 HydrophobicContact CG1-CB 4.34Å; V309-T318 CarbonylContact C-O 3.49Å; V309-T318 VanDerWaalsContact CA-O 3.3Å; V309-T318 WeakPolarHBondContact CA-O 3.44Å; V309-V319 HydrophobicContact CG2-CG1 4.5Å; V309-V319 HydrophobicContact CG2-CG2 4.19Å; V309-V341 HydrophobicContact CG1-CB 3.98Å; V309-V341 HydrophobicContact CG1-CG1 3.97Å; V309-V341 HydrophobicContact CG1-CG2 4.28Å; V309-V341 WeakPolarHBondContact O-CG2 3.44Å; V309-F343 HydrophobicContact CB-CE2 4.07Å; V309-F343 HydrophobicContact CG2-CE2 3.51Å; V309-F343 HydrophobicContact CG2-CZ 3.53Å; V309-F400 HydrophobicContact CG1-CD2 3.9Å; V309-F400 HydrophobicContact CG1-CE2 3.75Å; V309-F400 HydrophobicContact CG1-CZ 4.42Å; V309-F400 HydrophobicContact CG2-CD1 4.27Å; V309-F400 HydrophobicContact CG2-CD2 4.19Å; V309-F400 HydrophobicContact CG2-CE1 4.32Å; V309-F400 HydrophobicContact CG2-CE2 4.23Å; V309-F400 HydrophobicContact CG2-CG 4.2Å; V309-F400 HydrophobicContact CG2-CZ 4.3Å |
| 310 | T | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 146.2 | 174.2 | 63.8 | 0 | 0 | 0 | 0 | 111.1 | V269 L275 L296 C298 V299 I308 V317 T318 | V269-T310 HydrophobicContact CG1-CG2 3.89Å; L275-T310 HydrophobicContact CB-CG2 4.3Å; L275-T310 HydrophobicContact CD1-CG2 4.04Å; L275-T310 HydrophobicContact CD2-CG2 3.96Å; L275-T310 HydrophobicContact CG-CG2 4.32Å; L296-T310 HydrophobicContact CD1-CG2 4.37Å; C298-T310 VanDerWaalsContact O-CA 3.28Å; C298-T310 WeakPolarHBondContact O-CA 3.24Å; V299-T310 HydrophobicContact CB-CG2 4.39Å; V299-T310 HydrophobicContact CG2-CG2 4.04Å; I308-T310 HydrophobicContact CG2-CG2 4.26Å; T310-V317 CarbonylContact O-C 3.03Å; T310-V317 VanDerWaalsContact O-CA 3.27Å; T310-V317 WeakPolarHBondContact O-CA 3.09Å; T310-T318 PolarHBondContact N-O 3.09Å; T310-T318 PolarHBondContact O-N 2.75Å |
| 311 | G | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 141.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L297 C298 L316 | L297-G311 PolarHBondContact N-O 3.41Å; C298-G311 PolarHBondContact N-O 2.92Å; C298-G311 PolarHBondContact O-N 2.89Å; G311-L316 WeakPolarHBondContact CA-O 3.24Å |
| 312 | G | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | -179.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | G295 L316 V338 | G295-G312 WeakPolarHBondContact O-CA 3.41Å; G312-L316 PolarHBondContact N-O 2.79Å; G312-V338 PolarHBondContact O-N 2.92Å; G312-V338 VanDerWaalsContact O-N 3.12Å |
| 313 | E | 98.7 | Very high | 98 | Very high | 28 Ų | 28 | 21.3 Ų | 21.3 | 13% | 0.131 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -6.9 | 171.9 | -65.5 | -178.6 | 165.8 | 0 | 0 | 113.5 | Q271 G294 G295 L297 D315 W337 | Q271-E313 PolarHBondContact NE2-OE1 3.26Å; Q271-E313 PolarHBondContact NE2-OE2 3.36Å; G294-E313 WeakPolarHBondContact CA-OE2 3.14Å; G295-E313 PolarHBondContact N-OE2 2.93Å; G295-E313 PolarHBondContact O-N 3.04Å; L297-E313 HydrophobicContact CD1-CG 4.04Å; L297-E313 HydrophobicContact CD2-CG 4.05Å; L297-E313 HydrophobicContact CG-CG 4.1Å; E313-D315 VanDerWaalsContact C-N 3.26Å; E313-W337 HydrophobicContact CB-CD2 4.18Å; E313-W337 HydrophobicContact CB-CG 4.31Å; E313-W337 HydrophobicContact CB-CZ2 4.31Å; E313-W337 HydrophobicContact CG-CD2 3.77Å; E313-W337 HydrophobicContact CG-CE3 3.95Å; E313-W337 HydrophobicContact CG-CG 4.27Å; E313-W337 HydrophobicContact CG-CH2 4.17Å; E313-W337 HydrophobicContact CG-CZ2 3.97Å; E313-W337 HydrophobicContact CG-CZ3 4.16Å; E313-W337 PolarHBondContact O-NE1 2.96Å; E313-W337 WeakPolarHBondContact OE1-CH2 3.13Å |
| 314 | D | 97.6 | Very high | 97.9 | Very high | 28 Ų | 28 | 23.4 Ų | 23.4 | 15% | 0.15 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 10.2 | 172.6 | 58.1 | 6.4 | 0 | 0 | 0 | 113.1 | Y292 F293 L316 | Y292-D314 PolarHBondContact N-OD2 2.77Å; F293-D314 HydrophobicContact CB-CB 4.31Å; F293-D314 WeakPolarHBondContact O-CB 3.33Å; D314-L316 PolarHBondContact O-N 2.96Å; D314-L316 PolarHBondContact OD1-N 2.87Å |
| 315 | D | 98.5 | Very high | 98.1 | Very high | 43 Ų | 43 | 23.9 Ų | 23.9 | 23% | 0.23 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 64.9 | 9.3 | -179.3 | -52.2 | -18.6 | 0 | 0 | 0 | 114.3 | E313 S336 W337 | E313-D315 VanDerWaalsContact C-N 3.26Å; D315-S336 WeakPolarHBondContact OD1-CA 3.27Å; D315-S336 PolarHBondContact OD2-N 3.27Å; D315-W337 PolarHBondContact OD1-N 3Å; D315-W337 VanDerWaalsContact OD1-N 3.17Å |
| 316 | L | 98.5 | Very high | 98 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 152.9 | -177.7 | -58.1 | 179.7 | 0 | 0 | 0 | 112.2 | Y292 G311 G312 D314 G331 H332 M548 | Y292-L316 HydrophobicContact CD2-CD1 3.58Å; Y292-L316 HydrophobicContact CE2-CD1 3.98Å; G311-L316 WeakPolarHBondContact CA-O 3.24Å; G312-L316 PolarHBondContact N-O 2.79Å; D314-L316 PolarHBondContact O-N 2.96Å; D314-L316 PolarHBondContact OD1-N 2.87Å; L316-G331 WeakPolarHBondContact CA-O 3.3Å; L316-G331 WeakPolarHBondContact CD2-O 3.44Å; L316-H332 HydrophobicContact CD2-CB 3.93Å; L316-M548 HydrophobicContact CD1-CE 4.22Å |
| 317 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 140.3 | 154.3 | -63.7 | 0 | 0 | 0 | 0 | 108.8 | V309 T310 R330 G331 V338 V341 F400 W412 | V309-V317 HydrophobicContact CG1-CB 4.34Å; T310-V317 CarbonylContact O-C 3.03Å; T310-V317 VanDerWaalsContact O-CA 3.27Å; T310-V317 WeakPolarHBondContact O-CA 3.09Å; V317-R330 CarbonylContact O-C 3.57Å; V317-R330 VanDerWaalsContact O-CA 3.28Å; V317-R330 WeakPolarHBondContact O-CA 3.27Å; V317-G331 PolarHBondContact N-O 3.18Å; V317-G331 VanDerWaalsContact N-O 3.16Å; V317-G331 PolarHBondContact O-N 2.54Å; V317-V338 HydrophobicContact CG1-CG1 4.17Å; V317-V338 HydrophobicContact CG1-CG2 4.4Å; V317-V341 HydrophobicContact CG1-CG1 4.03Å; V317-F400 HydrophobicContact CB-CE2 4.27Å; V317-F400 HydrophobicContact CG2-CE2 4.01Å; V317-F400 HydrophobicContact CG2-CZ 4.24Å; V317-W412 HydrophobicContact CG1-CZ2 4.24Å; V317-W412 HydrophobicContact CG2-CD2 4.06Å; V317-W412 HydrophobicContact CG2-CE3 4.27Å; V317-W412 HydrophobicContact CG2-CH2 3.94Å; V317-W412 HydrophobicContact CG2-CZ2 3.71Å; V317-W412 HydrophobicContact CG2-CZ3 4.21Å |
| 318 | T | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131 | 175.9 | -59.3 | 0 | 0 | 0 | 0 | 109.6 | M289 V309 T310 V327 R330 | M289-T318 HydrophobicContact SD-CG2 3.52Å; M289-T318 VanDerWaalsContact SD-CG2 3.52Å; V309-T318 CarbonylContact C-O 3.49Å; V309-T318 VanDerWaalsContact CA-O 3.3Å; V309-T318 WeakPolarHBondContact CA-O 3.44Å; T310-T318 PolarHBondContact N-O 3.09Å; T310-T318 PolarHBondContact O-N 2.75Å; T318-V327 HydrophobicContact CG2-CG1 3.73Å; T318-V327 HydrophobicContact CG2-CG2 4.07Å; T318-R330 HydrophobicContact CG2-CG 3.97Å |
| 319 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 124.6 | 175.8 | -172.1 | 0 | 0 | 0 | 0 | 108.6 | V309 I328 A329 F400 L414 L554 | V309-V319 HydrophobicContact CG2-CG1 4.5Å; V309-V319 HydrophobicContact CG2-CG2 4.19Å; V319-I328 PolarHBondContact O-N 2.81Å; V319-A329 HydrophobicContact CB-CB 4.31Å; V319-A329 HydrophobicContact CG2-CB 4.27Å; V319-A329 PolarHBondContact N-O 2.71Å; V319-A329 PolarHBondContact O-N 2.85Å; V319-F400 HydrophobicContact CG2-CE1 4.17Å; V319-F400 HydrophobicContact CG2-CZ 4.06Å; V319-L414 HydrophobicContact CG1-CD2 3.8Å; V319-L554 HydrophobicContact CG2-CD1 4.01Å |
| 320 | W | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.6 | -177.8 | -175.8 | 87.2 | 0 | 0 | 0 | 110.3 | L275 V277 M289 Y307 I308 F322 C325 R326 | L275-W320 HydrophobicContact CD2-CB 4.31Å; L275-W320 HydrophobicContact CD2-CD2 4.21Å; L275-W320 HydrophobicContact CD2-CE3 4.35Å; L275-W320 HydrophobicContact CD2-CG 4.2Å; V277-W320 HydrophobicContact CB-CH2 4.47Å; V277-W320 HydrophobicContact CG2-CH2 4.02Å; V277-W320 HydrophobicContact CG2-CZ3 3.81Å; M289-W320 HydrophobicContact CB-CG 4.49Å; Y307-W320 CarbonylContact C-O 3.6Å; Y307-W320 WeakPolarHBondContact CA-O 3.26Å; I308-W320 HydrophobicContact CB-CE3 4.17Å; I308-W320 HydrophobicContact CD1-CE3 3.72Å; I308-W320 HydrophobicContact CD1-CZ3 3.69Å; I308-W320 HydrophobicContact CG1-CE3 4.09Å; I308-W320 HydrophobicContact CG1-CZ3 4.42Å; I308-W320 PolarHBondContact N-O 2.97Å; I308-W320 PolarHBondContact O-N 2.98Å; W320-F322 HydrophobicContact CH2-CD2 4.47Å; W320-F322 VanDerWaalsContact CZ3-CA 3.42Å; W320-F322 HydrophobicContact CZ3-CB 4.08Å; W320-F322 HydrophobicContact CZ3-CD2 4.03Å; W320-C325 HydrophobicContact CH2-CB 4.47Å; W320-C325 HydrophobicContact CZ2-CB 3.85Å; W320-C325 PolarHBondContact NE1-O 3.49Å; W320-R326 WeakPolarHBondContact CA-O 3.19Å |
| 321 | S | 97.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 126.1 | 176.9 | 171.4 | 0 | 0 | 0 | 0 | 110.1 | D324 C325 R326 | S321-D324 WeakPolarHBondContact OG-CB 3.25Å; S321-D324 PolarHBondContact OG-N 2.66Å; S321-C325 WeakPolarHBondContact O-CA 3.46Å; S321-C325 PolarHBondContact O-N 2.61Å; S321-R326 PolarHBondContact N-O 2.6Å |
| 322 | F | 98.1 | Very high | 97.6 | Very high | 30 Ų | 30 | 31 Ų | 31 | 13% | 0.132 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -39.1 | 178.5 | 175.9 | -99.8 | 0 | 0 | 0 | 112.9 | F265 V277 H286 W301 K306 W320 | F265-F322 HydrophobicContact CB-CE2 4.46Å; F265-F322 AromaticContact CD1-CE2 3.81Å; F265-F322 HydrophobicContact CD1-CE2 3.81Å; F265-F322 AromaticContact CD1-CZ 3.79Å; F265-F322 HydrophobicContact CD1-CZ 3.79Å; F265-F322 HydrophobicContact CD2-CE2 4.26Å; F265-F322 AromaticContact CD2-CZ 3.8Å; F265-F322 HydrophobicContact CD2-CZ 3.8Å; F265-F322 HydrophobicContact CE1-CE2 4.09Å; F265-F322 AromaticContact CE1-CZ 3.66Å; F265-F322 HydrophobicContact CE1-CZ 3.66Å; F265-F322 HydrophobicContact CE2-CE1 4.36Å; F265-F322 AromaticContact CE2-CZ 3.67Å; F265-F322 HydrophobicContact CE2-CZ 3.67Å; F265-F322 AromaticContact CG-CE2 3.92Å; F265-F322 HydrophobicContact CG-CE2 3.92Å; F265-F322 AromaticContact CG-CZ 3.88Å; F265-F322 HydrophobicContact CG-CZ 3.88Å; F265-F322 HydrophobicContact CZ-CE1 4.47Å; F265-F322 HydrophobicContact CZ-CE2 4.45Å; F265-F322 AromaticContact CZ-CZ 3.61Å; F265-F322 HydrophobicContact CZ-CZ 3.61Å; V277-F322 HydrophobicContact CG1-CD2 4.26Å; V277-F322 HydrophobicContact CG1-CE2 4Å; H286-F322 AromaticContact CD2-CD2 3.8Å; H286-F322 AromaticContact CD2-CE2 3.34Å; H286-F322 WeakPolarHBondContact CD2-CE2 3.39Å; H286-F322 AromaticContact CD2-CZ 3.89Å; H286-F322 AromaticContact CE1-CZ 3.79Å; H286-F322 AromaticContact CG-CE2 3.96Å; H286-F322 AromaticContact NE2-CD2 3.76Å; H286-F322 AromaticContact NE2-CE2 3.41Å; H286-F322 WeakPolarHBondContact NE2-CE2 3.49Å; H286-F322 AromaticContact NE2-CZ 3.57Å; H286-F322 PolarHBondContact NE2-O 2.99Å; W301-F322 AromaticContact CH2-CD2 3.51Å; W301-F322 HydrophobicContact CH2-CD2 3.51Å; W301-F322 AromaticContact CH2-CE2 3.73Å; W301-F322 HydrophobicContact CH2-CE2 3.73Å; W301-F322 HydrophobicContact CH2-CG 4.34Å; W301-F322 HydrophobicContact CZ3-CB 4.25Å; W301-F322 AromaticContact CZ3-CD2 3.56Å; W301-F322 HydrophobicContact CZ3-CD2 3.56Å; W301-F322 HydrophobicContact CZ3-CE2 4.12Å; W301-F322 AromaticContact CZ3-CG 3.94Å; W301-F322 HydrophobicContact CZ3-CG 3.94Å; K306-F322 VanDerWaalsContact O-CB 3.29Å; K306-F322 WeakPolarHBondContact O-CB 3.28Å; K306-F322 PolarHBondContact O-N 3.02Å; W320-F322 HydrophobicContact CH2-CD2 4.47Å; W320-F322 VanDerWaalsContact CZ3-CA 3.42Å; W320-F322 HydrophobicContact CZ3-CB 4.08Å; W320-F322 HydrophobicContact CZ3-CD2 4.03Å |
| 323 | V | 96.4 | Very high | 97.5 | Very high | 107 Ų | 107 | 31.8 Ų | 31.8 | 65% | 0.648 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -42.7 | -178 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | C325 | V323-C325 VanDerWaalsContact C-N 3.32Š|
| 324 | D | 95 | Very high | 97.5 | Very high | 80 Ų | 80 | 30.6 Ų | 30.6 | 43% | 0.428 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -8.8 | -177.3 | -65.8 | -14.3 | 0 | 0 | 0 | 113 | S321 R326 | S321-D324 WeakPolarHBondContact OG-CB 3.25Å; S321-D324 PolarHBondContact OG-N 2.66Å; D324-R326 HydrophobicContact CB-CG 3.71Å; D324-R326 PolarHBondContact O-N 2.95Å; D324-R326 IonicContact OD2-CZ 3.2Å; D324-R326 IonicContact OD2-NE 3.32Å; D324-R326 PolarHBondContact OD2-NE 3.07Å; D324-R326 IonicContact OD2-NH2 3.7Å; D324-R326 PolarHBondContact OD2-NH2 3.41Å |
| 325 | C | 97.1 | Very high | 97.5 | Very high | 48 Ų | 48 | 36.4 Ų | 36.4 | 32% | 0.324 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 39.2 | -173.5 | -69.3 | 0 | 0 | 0 | 0 | 114.6 | H286 W320 S321 V323 | H286-C325 PolarHBondContact NE2-SG 3.48Å; H286-C325 VanDerWaalsContact NE2-SG 3.42Å; W320-C325 HydrophobicContact CH2-CB 4.47Å; W320-C325 HydrophobicContact CZ2-CB 3.85Å; W320-C325 PolarHBondContact NE1-O 3.49Å; S321-C325 WeakPolarHBondContact O-CA 3.46Å; S321-C325 PolarHBondContact O-N 2.61Å; V323-C325 VanDerWaalsContact C-N 3.32Å |
| 326 | R | 95.7 | Very high | 97.5 | Very high | 125 Ų | 125 | 36 Ų | 36 | 47% | 0.472 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 159.1 | -175.5 | 73.3 | -174 | 170.4 | 159.2 | -4.2 | 113.4 | W320 S321 D324 I328 | W320-R326 WeakPolarHBondContact CA-O 3.19Å; S321-R326 PolarHBondContact N-O 2.6Å; D324-R326 HydrophobicContact CB-CG 3.71Å; D324-R326 PolarHBondContact O-N 2.95Å; D324-R326 IonicContact OD2-CZ 3.2Å; D324-R326 IonicContact OD2-NE 3.32Å; D324-R326 PolarHBondContact OD2-NE 3.07Å; D324-R326 IonicContact OD2-NH2 3.7Å; D324-R326 PolarHBondContact OD2-NH2 3.41Å; R326-I328 HydrophobicContact CG-CD1 3.84Å |
| 327 | V | 97.8 | Very high | 97.5 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 6% | 0.055 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 129.9 | 169.9 | -179 | 0 | 0 | 0 | 0 | 109.7 | M289 T318 R330 P546 V551 | M289-V327 HydrophobicContact CG-CG2 3.53Å; M289-V327 HydrophobicContact SD-CG2 4Å; T318-V327 HydrophobicContact CG2-CG1 3.73Å; T318-V327 HydrophobicContact CG2-CG2 4.07Å; V327-R330 HydrophobicContact CG1-CG 4.25Å; V327-P546 HydrophobicContact CB-CG 4.23Å; V327-P546 HydrophobicContact CG2-CG 4.48Å; V327-V551 HydrophobicContact CB-CG1 4.34Å; V327-V551 HydrophobicContact CG1-CB 4.49Å; V327-V551 HydrophobicContact CG1-CG1 3.98Å |
| 328 | I | 96.2 | Very high | 97.5 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 8% | 0.077 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -36.5 | 178.4 | -57.9 | -59.8 | 0 | 0 | 0 | 111.4 | V319 R326 I418 L419 P552 | V319-I328 PolarHBondContact O-N 2.81Å; R326-I328 HydrophobicContact CG-CD1 3.84Å; I328-I418 HydrophobicContact CG2-CG2 4.44Å; I328-L419 HydrophobicContact CG2-CD2 4.43Å; I328-P552 VanDerWaalsContact O-CD 3.31Å; I328-P552 WeakPolarHBondContact O-CD 3.31Å |
| 329 | A | 97.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 162.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V319 I418 P552 L554 | V319-A329 HydrophobicContact CB-CB 4.31Å; V319-A329 HydrophobicContact CG2-CB 4.27Å; V319-A329 PolarHBondContact N-O 2.71Å; V319-A329 PolarHBondContact O-N 2.85Å; A329-I418 HydrophobicContact CB-CG2 3.81Å; A329-P552 WeakPolarHBondContact CA-O 3.24Å; A329-P552 HydrophobicContact CB-CB 4.3Å; A329-L554 HydrophobicContact CB-CD1 3.99Å; A329-L554 HydrophobicContact CB-CD2 3.95Å; A329-L554 HydrophobicContact CB-CG 3.85Å |
| 330 | R | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 141.9 | 168.7 | -71.4 | -172.8 | 174.2 | 102.9 | -11.4 | 110.1 | Y292 V317 T318 V327 P546 V551 P552 L553 L554 | Y292-R330 PolarHBondContact OH-NH1 2.85Å; V317-R330 CarbonylContact O-C 3.57Å; V317-R330 VanDerWaalsContact O-CA 3.28Å; V317-R330 WeakPolarHBondContact O-CA 3.27Å; T318-R330 HydrophobicContact CG2-CG 3.97Å; V327-R330 HydrophobicContact CG1-CG 4.25Å; R330-P546 PolarHBondContact NH1-O 3.12Å; R330-V551 HydrophobicContact CG-CG2 4.28Å; R330-P552 PolarHBondContact N-O 3.09Å; R330-L553 HydrophobicContact CB-CD2 4.23Å; R330-L553 CarbonylContact O-C 3.5Å; R330-L553 VanDerWaalsContact O-CA 3.24Å; R330-L553 WeakPolarHBondContact O-CA 3.22Å; R330-L554 PolarHBondContact O-N 2.83Å |
| 331 | G | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 130.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L316 V317 L554 | L316-G331 WeakPolarHBondContact CA-O 3.3Å; L316-G331 WeakPolarHBondContact CD2-O 3.44Å; V317-G331 PolarHBondContact N-O 3.18Å; V317-G331 VanDerWaalsContact N-O 3.16Å; V317-G331 PolarHBondContact O-N 2.54Å; G331-L554 WeakPolarHBondContact CA-O 3.28Å |
| 332 | H | 95.9 | Very high | 97.5 | Very high | 119 Ų | 119 | 43.5 Ų | 43.5 | 55% | 0.551 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 130.9 | 172.5 | -175.6 | 72.5 | 0 | 0 | 0 | 109.7 | L316 L554 P556 | L316-H332 HydrophobicContact CD2-CB 3.93Å; H332-L554 PolarHBondContact N-O 3.41Å; H332-P556 WeakPolarHBondContact O-CD 3.45Å |
| 333 | G | 95.8 | Very high | 97.6 | Very high | 17 Ų | 17 | 42.8 Ų | 42.8 | 18% | 0.175 | 22% | 0.22 | C | C | . | . | trans | 177.1 | -29.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | C559 | G333-C559 PolarHBondContact O-SG 2.93Š| ||
| 334 | H | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | trans | -73.5 | 153.6 | 169.9 | -73.1 | -75 | 0 | 0 | 0 | 111.4 | V338 S402 G404 D406 Q408 C410 | H334-V338 HydrophobicContact CB-CG2 4.25Å; H334-S402 PolarHBondContact CD2-OG 2.87Å; H334-S402 WeakPolarHBondContact NE2-CB 3.5Å; H334-S402 PolarHBondContact NE2-OG 3.04Å; H334-G404 PolarHBondContact CE1-N 2.89Å; H334-D406 VanDerWaalsContact CA-OD2 3.23Å; H334-D406 WeakPolarHBondContact CA-OD2 3.3Å; H334-D406 WeakPolarHBondContact CB-OD2 3.26Å; H334-D406 IonicContact CG-OD2 3.04Å; H334-D406 IonicContact ND1-OD1 2.75Å; H334-D406 PolarHBondContact ND1-OD1 3.01Å; H334-D406 IonicContact ND1-OD2 3.91Å; H334-D406 PolarHBondContact ND1-OD2 3.43Å; H334-D406 VanDerWaalsContact ND1-OD2 3.15Å; H334-Q408 PolarHBondContact CE1-O 3.35Å; H334-C410 VanDerWaalsContact CE1-SG 3.55Å; H334-C410 PolarHBondContact NE2-SG 3.04Å | ||
| 335 | K | 97.6 | Very high | 97.6 | Very high | 150 Ų | 150 | 36.2 Ų | 36.2 | 65% | 0.652 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -111 | 8.3 | 179.2 | -59.4 | 177.9 | -177.3 | 174.1 | 0 | 112.9 | D406 | K335-D406 HydrophobicContact CB-CB 4.1Å; K335-D406 PolarHBondContact N-OD2 2.78Å |
| 336 | S | 98.3 | Very high | 97.5 | Very high | 35 Ų | 35 | 39.6 Ų | 39.6 | 25% | 0.245 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -166.2 | 179.4 | 179.1 | -163.6 | 0 | 0 | 0 | 0 | 108.3 | D315 V338 | D315-S336 WeakPolarHBondContact OD1-CA 3.27Å; D315-S336 PolarHBondContact OD2-N 3.27Å; S336-V338 PolarHBondContact O-N 3.3Å |
| 337 | W | 98.6 | Very high | 97.3 | Very high | 100 Ų | 100 | 34.8 Ų | 34.8 | 38% | 0.379 | 17% | 0.174 | S | C | . | . | trans | -56.6 | 134.7 | -170.1 | -62.1 | -2.1 | 0 | 0 | 0 | 113 | L297 E313 D315 S339 G404 Q405 | L297-W337 HydrophobicContact CD1-CB 3.68Å; L297-W337 HydrophobicContact CD1-CD2 4.25Å; L297-W337 HydrophobicContact CD1-CE3 3.9Å; L297-W337 HydrophobicContact CD1-CG 4.21Å; E313-W337 HydrophobicContact CB-CD2 4.18Å; E313-W337 HydrophobicContact CB-CG 4.31Å; E313-W337 HydrophobicContact CB-CZ2 4.31Å; E313-W337 HydrophobicContact CG-CD2 3.77Å; E313-W337 HydrophobicContact CG-CE3 3.95Å; E313-W337 HydrophobicContact CG-CG 4.27Å; E313-W337 HydrophobicContact CG-CH2 4.17Å; E313-W337 HydrophobicContact CG-CZ2 3.97Å; E313-W337 HydrophobicContact CG-CZ3 4.16Å; E313-W337 PolarHBondContact O-NE1 2.96Å; E313-W337 WeakPolarHBondContact OE1-CH2 3.13Å; D315-W337 PolarHBondContact OD1-N 3Å; D315-W337 VanDerWaalsContact OD1-N 3.17Å; W337-S339 PolarHBondContact O-N 2.72Å; W337-G404 CarbonylContact O-C 3.59Å; W337-G404 VanDerWaalsContact O-CA 3.3Å; W337-G404 WeakPolarHBondContact O-CA 3.19Å; W337-Q405 HydrophobicContact CB-CG 4.13Å; W337-Q405 VanDerWaalsContact CE3-NE2 3.27Å; W337-Q405 PolarHBondContact O-N 3.07Å | ||
| 338 | V | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 120 | 178.2 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | L297 G312 V317 H334 S336 V341 | L297-V338 WeakPolarHBondContact CB-O 3.49Å; L297-V338 WeakPolarHBondContact CD1-O 3.3Å; G312-V338 PolarHBondContact O-N 2.92Å; G312-V338 VanDerWaalsContact O-N 3.12Å; V317-V338 HydrophobicContact CG1-CG1 4.17Å; V317-V338 HydrophobicContact CG1-CG2 4.4Å; H334-V338 HydrophobicContact CB-CG2 4.25Å; S336-V338 PolarHBondContact O-N 3.3Å; V338-V341 HydrophobicContact CG1-CG1 3.88Å |
| 339 | S | 98.4 | Very high | 96.1 | Very high | 29 Ų | 29 | 36.6 Ų | 36.6 | 20% | 0.203 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -34.2 | -170 | -61.1 | 0 | 0 | 0 | 0 | 113.4 | W337 V403 Q405 L567 | W337-S339 PolarHBondContact O-N 2.72Å; S339-V403 PolarHBondContact N-O 2.82Å; S339-Q405 WeakPolarHBondContact OG-CG 3.32Å; S339-L567 VanDerWaalsContact CB-O 3.26Å; S339-L567 WeakPolarHBondContact CB-O 3.41Å |
| 340 | V | 98.9 | Very high | 95 | Very high | 24 Ų | 24 | 38.2 Ų | 38.2 | 15% | 0.145 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 142.1 | 176.3 | -174 | 0 | 0 | 0 | 0 | 109.6 | S402 V403 T568 L570 | V340-S402 CarbonylContact O-C 3.59Å; V340-S402 VanDerWaalsContact O-CA 3.24Å; V340-S402 WeakPolarHBondContact O-CA 3.35Å; V340-V403 HydrophobicContact CB-CG2 3.72Å; V340-V403 HydrophobicContact CG2-CG2 4.12Å; V340-V403 PolarHBondContact N-O 2.97Å; V340-V403 PolarHBondContact O-N 3.36Å; V340-T568 VanDerWaalsContact CG2-O 3.31Å; V340-T568 WeakPolarHBondContact CG2-O 3.34Å; V340-L570 HydrophobicContact CB-CB 4.3Å; V340-L570 HydrophobicContact CG1-CB 4.01Å |
| 341 | V | 98.9 | Very high | 93.4 | Very high | 6 Ų | 6 | 47 Ų | 47 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 142.6 | 169.6 | -68.2 | 0 | 0 | 0 | 0 | 109.1 | C298 C300 V309 V317 V338 G401 | C298-V341 HydrophobicContact CB-CG2 4.24Å; C300-V341 HydrophobicContact CB-CG2 4.26Å; C300-V341 WeakPolarHBondContact CB-O 3.24Å; C300-V341 VanDerWaalsContact SG-C 3.57Å; C300-V341 PolarHBondContact SG-O 3.19Å; V309-V341 HydrophobicContact CG1-CB 3.98Å; V309-V341 HydrophobicContact CG1-CG1 3.97Å; V309-V341 HydrophobicContact CG1-CG2 4.28Å; V309-V341 WeakPolarHBondContact O-CG2 3.44Å; V317-V341 HydrophobicContact CG1-CG1 4.03Å; V338-V341 HydrophobicContact CG1-CG1 3.88Å; V341-G401 WeakPolarHBondContact CA-O 3.49Å |
| 342 | A | 98.9 | Very high | 91.4 | Very high | 17 Ų | 17 | 54.4 Ų | 54.4 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 137 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | C300 F400 G401 L570 F572 | C300-A342 VanDerWaalsContact SG-CA 3.56Å; A342-F400 CarbonylContact O-C 3.59Å; A342-F400 VanDerWaalsContact O-CA 3.26Å; A342-F400 WeakPolarHBondContact O-CA 3.37Å; A342-F400 WeakPolarHBondContact O-CB 3.33Å; A342-G401 PolarHBondContact N-O 3.45Å; A342-G401 PolarHBondContact O-N 2.85Å; A342-L570 HydrophobicContact CB-CD2 4.29Å; A342-L570 HydrophobicContact CB-CG 4.29Å; A342-F572 HydrophobicContact CB-CD2 3.86Å; A342-F572 HydrophobicContact CB-CE2 3.9Å; A342-F572 VanDerWaalsContact O-CE2 3.25Å; A342-F572 WeakPolarHBondContact O-CE2 3.5Å |
| 343 | F | 98.7 | Very high | 88.9 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 7% | 0.066 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 147.4 | 167.1 | -81.6 | -93.3 | 0 | 0 | 0 | 110.8 | W301 S302 P303 V309 P345 Y398 R399 F400 F572 | W301-F343 WeakPolarHBondContact O-CD2 3.36Å; S302-F343 VanDerWaalsContact CA-CD2 3.48Å; P303-F343 HydrophobicContact CG-CB 4.31Å; V309-F343 HydrophobicContact CB-CE2 4.07Å; V309-F343 HydrophobicContact CG2-CE2 3.51Å; V309-F343 HydrophobicContact CG2-CZ 3.53Å; F343-P345 VanDerWaalsContact O-CD 3.3Å; F343-P345 WeakPolarHBondContact O-CD 3.48Å; F343-Y398 HydrophobicContact CD1-CD1 4.38Å; F343-Y398 HydrophobicContact CE1-CD1 4.13Å; F343-Y398 HydrophobicContact CE1-CG 4.22Å; F343-R399 WeakPolarHBondContact CD1-O 3.38Å; F343-F400 HydrophobicContact CD1-CB 3.86Å; F343-F400 HydrophobicContact CD2-CB 4.38Å; F343-F400 HydrophobicContact CE1-CB 4.15Å; F343-F400 HydrophobicContact CE1-CD1 4.29Å; F343-F400 HydrophobicContact CG-CB 4Å; F343-F572 VanDerWaalsContact O-CD2 3.27Å; F343-F572 WeakPolarHBondContact O-CD2 3.42Å |
| 344 | D | 98 | Very high | 86.1 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -99 | 100.2 | 172.1 | -175.6 | 4.2 | 0 | 0 | 0 | 109.5 | Y346 T347 T348 R399 F572 R591 | D344-Y346 PolarHBondContact O-N 2.86Å; D344-Y346 PolarHBondContact OD1-N 3.04Å; D344-Y346 VanDerWaalsContact OD1-N 3.11Å; D344-T347 WeakPolarHBondContact OD2-CG2 3.42Å; D344-T347 PolarHBondContact OD2-OG1 3.03Å; D344-T348 WeakPolarHBondContact O-CB 3.14Å; D344-T348 PolarHBondContact O-N 3.21Å; D344-T348 PolarHBondContact O-OG1 3.21Å; D344-R399 HydrophobicContact CB-CB 4.12Å; D344-R399 HydrophobicContact CB-CG 3.99Å; D344-R399 PolarHBondContact N-O 3.3Å; D344-F572 HydrophobicContact CB-CB 4.28Å; D344-F572 HydrophobicContact CB-CD1 3.56Å; D344-F572 HydrophobicContact CB-CD2 4Å; D344-F572 HydrophobicContact CB-CE1 3.79Å; D344-F572 HydrophobicContact CB-CE2 4.22Å; D344-F572 HydrophobicContact CB-CG 3.68Å; D344-F572 HydrophobicContact CB-CZ 4.12Å; D344-F572 VanDerWaalsContact CG-CD1 3.41Å; D344-R591 VanDerWaalsContact CG-NH2 3.31Å; D344-R591 IonicContact OD1-CZ 2.79Å; D344-R591 IonicContact OD1-NH1 3.2Å; D344-R591 IonicContact OD1-NH2 3.22Å; D344-R591 PolarHBondContact OD1-NH2 2.87Å; D344-R591 IonicContact OD2-CZ 2.96Å; D344-R591 IonicContact OD2-NH1 3.71Å; D344-R591 PolarHBondContact OD2-NH1 3.29Å; D344-R591 IonicContact OD2-NH2 2.87Å; D344-R591 PolarHBondContact OD2-NH2 3.41Å | ||
| 345 | P | 95 | Very high | 83.4 | Confident | 48 Ų | 48 | 62.9 Ų | 62.9 | 31% | 0.312 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -67.3 | -22.3 | -179.7 | 26.9 | -32.9 | 0 | 0 | 0 | 112.3 | P303 F343 T347 | P303-P345 HydrophobicContact CB-CB 4.37Å; P303-P345 HydrophobicContact CG-CB 3.94Å; F343-P345 VanDerWaalsContact O-CD 3.3Å; F343-P345 WeakPolarHBondContact O-CD 3.48Å; P345-T347 PolarHBondContact O-N 2.93Å |
| 346 | Y | 94 | Very high | 80.8 | Confident | 119 Ų | 119 | 63.7 Ų | 63.7 | 47% | 0.467 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -86.1 | -7.4 | -173.7 | -54 | -78.8 | 0 | 0 | 0 | 114.1 | D344 L573 E574 | D344-Y346 PolarHBondContact O-N 2.86Å; D344-Y346 PolarHBondContact OD1-N 3.04Å; D344-Y346 VanDerWaalsContact OD1-N 3.11Å; Y346-L573 VanDerWaalsContact CD2-O 3.31Å; Y346-L573 WeakPolarHBondContact CD2-O 3.34Å; Y346-L573 WeakPolarHBondContact CE2-O 3.24Å; Y346-E574 HydrophobicContact CD1-CB 3.93Å; Y346-E574 HydrophobicContact CD1-CG 3.72Å; Y346-E574 VanDerWaalsContact CE1-CA 3.48Å; Y346-E574 HydrophobicContact CE1-CB 3.46Å; Y346-E574 VanDerWaalsContact CE1-CB 3.46Å; Y346-E574 HydrophobicContact CE1-CG 3.56Å; Y346-E574 HydrophobicContact CE2-CB 4.49Å; Y346-E574 VanDerWaalsContact CE2-N 3.32Å; Y346-E574 VanDerWaalsContact CZ-N 3.32Å |
| 347 | T | 90.6 | Very high | 77.8 | Confident | 24 Ų | 24 | 70.6 Ų | 70.6 | 15% | 0.147 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -127.5 | 12.2 | 175.7 | 61.6 | 0 | 0 | 0 | 0 | 113 | E21 D344 P345 R399 | E21-T347 HydrophobicContact CG-CG2 4.29Å; D344-T347 WeakPolarHBondContact OD2-CG2 3.42Å; D344-T347 PolarHBondContact OD2-OG1 3.03Å; P345-T347 PolarHBondContact O-N 2.93Å; T347-R399 WeakPolarHBondContact OG1-CB 3.38Å; T347-R399 WeakPolarHBondContact OG1-CD 3.21Å |
| 348 | T | 87.5 | Confident | 75.1 | Confident | 19 Ų | 19 | 74.5 Ų | 74.5 | 12% | 0.117 | 40% | 0.396 | C | S | . | . | trans | -91.8 | 137.2 | 173.2 | -68.2 | 0 | 0 | 0 | 0 | 109.2 | D344 V350 T397 Y398 R399 | D344-T348 WeakPolarHBondContact O-CB 3.14Å; D344-T348 PolarHBondContact O-N 3.21Å; D344-T348 PolarHBondContact O-OG1 3.21Å; T348-V350 VanDerWaalsContact C-N 3.3Å; T348-V350 HydrophobicContact CG2-CB 3.95Å; T348-V350 HydrophobicContact CG2-CG2 3.81Å; T348-V350 PolarHBondContact O-N 2.92Å; T348-T397 WeakPolarHBondContact CA-O 3.4Å; T348-Y398 HydrophobicContact CG2-CD1 3.63Å; T348-Y398 HydrophobicContact CG2-CE1 4.18Å; T348-Y398 HydrophobicContact CG2-CG 4.2Å; T348-R399 PolarHBondContact OG1-N 3Å | ||
| 349 | S | 81.8 | Confident | 72.2 | Confident | 44 Ų | 44 | 79.9 Ų | 79.9 | 31% | 0.308 | 43% | 0.434 | S | S | . | . | trans | -93.2 | 19.7 | -174.5 | 73.7 | 0 | 0 | 0 | 0 | 113.9 | S395 T397 | S349-S395 PolarHBondContact OG-O 3.08Å; S349-S395 VanDerWaalsContact OG-O 3.09Å; S349-T397 PolarHBondContact N-O 3.34Å; S349-T397 WeakPolarHBondContact OG-CG2 3.43Å; S349-T397 PolarHBondContact OG-N 3.18Å; S349-T397 PolarHBondContact OG-O 3Å | ||
| 350 | V | 74.8 | Confident | 69.2 | Low | 34 Ų | 34 | 80.3 Ų | 80.3 | 21% | 0.206 | 44% | 0.443 | C | S | . | . | trans | -95.9 | 124.8 | -178.8 | -176.3 | 0 | 0 | 0 | 0 | 107.7 | D304 T348 E352 V396 Y398 | D304-V350 HydrophobicContact CB-CG1 3.98Å; T348-V350 VanDerWaalsContact C-N 3.3Å; T348-V350 HydrophobicContact CG2-CB 3.95Å; T348-V350 HydrophobicContact CG2-CG2 3.81Å; T348-V350 PolarHBondContact O-N 2.92Å; V350-E352 PolarHBondContact O-N 3Å; V350-V396 HydrophobicContact CG2-CG1 3.88Å; V350-Y398 HydrophobicContact CB-CE1 4.48Å; V350-Y398 HydrophobicContact CG2-CD1 4.29Å; V350-Y398 HydrophobicContact CG2-CE1 3.65Å; V350-Y398 HydrophobicContact CG2-CE2 4.2Å | ||
| 351 | E | 64.1 | Low | 66.3 | Low | 183 Ų | 183 | 83.2 Ų | 83.2 | 86% | 0.855 | 46% | 0.464 | S | S | * | . | trans | -61.3 | 125.1 | 168.6 | -68.3 | -174.1 | 165 | 0 | 0 | 108.1 | G353 | E351-G353 PolarHBondContact O-N 3.01Š| ||
| 352 | E | 55.8 | Low | 63.5 | Low | 157 Ų | 157 | 90.5 Ų | 90.5 | 73% | 0.734 | 50% | 0.503 | S | S | * | . | trans | -59.5 | 92.5 | 166.7 | -71.9 | -177.6 | 166.6 | 0 | 0 | 107 | V350 | V350-E352 PolarHBondContact O-N 3Š| ||
| 353 | G | 44.4 | Very low | 60.8 | Low | 61 Ų | 61 | 97.6 Ų | 97.6 | 63% | 0.629 | 53% | 0.533 | S | S | * | . | trans | -66.4 | 140 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | E351 | E351-G353 PolarHBondContact O-N 3.01Š| ||
| 354 | D | 36 | Very low | 57.8 | Low | 152 Ų | 152 | 103.7 Ų | 103.7 | 81% | 0.813 | 57% | 0.566 | S | S | * | * | trans | -44.6 | 147.5 | 163.2 | -78.8 | -43.3 | 0 | 0 | 0 | 110.4 | M356 | D354-M356 PolarHBondContact O-N 2.99Š| ||
| 355 | P | 42.9 | Very low | 55 | Low | 103 Ų | 103 | 111.5 Ų | 111.5 | 67% | 0.669 | 60% | 0.6 | S | S | * | * | trans | -51.2 | 118.4 | -179.6 | 19.2 | -30.4 | 0 | 0 | 0 | 109 | E357 | P355-E357 PolarHBondContact O-N 2.76Š| ||
| 356 | M | 41.5 | Very low | 52.3 | Low | 167 Ų | 167 | 116.8 Ų | 116.8 | 82% | 0.823 | 62% | 0.621 | S | S | * | * | trans | -57.4 | 104.6 | 178.6 | -159.1 | 174.6 | -82.7 | 0 | 0 | 107 | D354 F358 | D354-M356 PolarHBondContact O-N 2.99Å; M356-F358 VanDerWaalsContact C-N 3.3Å; M356-F358 PolarHBondContact O-N 3.47Å | ||
| 357 | E | 36.3 | Very low | 49.4 | Very low | 181 Ų | 181 | 118.5 Ų | 118.5 | 85% | 0.846 | 64% | 0.638 | S | S | * | * | trans | -62.8 | 96.6 | 173.6 | -81.3 | -169 | 162.6 | 0 | 0 | 107.2 | P355 S359 | P355-E357 PolarHBondContact O-N 2.76Å; E357-S359 PolarHBondContact O-N 2.88Å | ||
| 358 | F | 41 | Very low | 47.1 | Very low | 181 Ų | 181 | 124.3 Ų | 124.3 | 79% | 0.794 | 67% | 0.667 | S | S | * | * | trans | -72.7 | 75 | 162.7 | -159.9 | -92.2 | 0 | 0 | 0 | 107 | M356 G360 | M356-F358 VanDerWaalsContact C-N 3.3Å; M356-F358 PolarHBondContact O-N 3.47Å; F358-G360 PolarHBondContact O-N 3.39Å | ||
| 359 | S | 38.8 | Very low | 44.7 | Very low | 114 Ų | 114 | 130 Ų | 130 | 80% | 0.797 | 70% | 0.696 | S | S | * | * | trans | -76.5 | 65.7 | 159.6 | -170.3 | 0 | 0 | 0 | 0 | 107.6 | E357 | E357-S359 PolarHBondContact O-N 2.88Š| ||
| 360 | G | 34.6 | Very low | 42.2 | Very low | 38 Ų | 38 | 136.3 Ų | 136.3 | 39% | 0.392 | 72% | 0.721 | S | S | . | * | trans | -96.7 | 94.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | F358 | F358-G360 PolarHBondContact O-N 3.39Š| ||
| 361 | S | 38.5 | Very low | 40.3 | Very low | 85 Ų | 85 | 145 Ų | 145 | 59% | 0.594 | 76% | 0.756 | S | S | * | * | trans | -60.1 | 140.1 | 163.8 | 44.9 | 0 | 0 | 0 | 0 | 109.4 | E363 | S361-E363 PolarHBondContact O-N 3.5Š| ||
| 362 | D | 40.4 | Very low | 38.6 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | 9.5 | -174.6 | -102.3 | -23.3 | 0 | 0 | 0 | 117.3 | ||
| 363 | E | 41.3 | Very low | 37.5 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 77% | 0.771 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -17.5 | -173.3 | -58.4 | -155.8 | 160.1 | 0 | 0 | 114.6 | S361 F365 | S361-E363 PolarHBondContact O-N 3.5Å; E363-F365 PolarHBondContact O-N 2.94Å |
| 364 | D | 36.3 | Very low | 36.9 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -5.3 | -178.4 | -75.4 | -30.8 | 0 | 0 | 0 | 114.3 | Q366 | D364-Q366 VanDerWaalsContact C-N 3.34Š|
| 365 | F | 39.7 | Very low | 36.6 | Very low | 164 Ų | 164 | 151.1 Ų | 151.1 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -7.8 | -177.6 | -149 | -97.8 | 0 | 0 | 0 | 113.6 | E363 | E363-F365 PolarHBondContact O-N 2.94Š|
| 366 | Q | 37.7 | Very low | 36.4 | Very low | 160 Ų | 160 | 150.4 Ų | 150.4 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -90 | -15.3 | -175 | -132.9 | 145.7 | 35.2 | 0 | 0 | 114.1 | D364 | D364-Q366 VanDerWaalsContact C-N 3.34Š|
| 367 | D | 34 | Very low | 36 | Very low | 154 Ų | 154 | 150 Ų | 150 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -6.3 | 179.9 | -95.5 | -10.1 | 0 | 0 | 0 | 114.5 | ||
| 368 | L | 40.9 | Very low | 35.9 | Very low | 146 Ų | 146 | 146.9 Ų | 146.9 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 3.9 | -178.4 | -139.3 | 76.1 | 0 | 0 | 0 | 114.8 | ||
| 369 | L | 37.4 | Very low | 35.7 | Very low | 138 Ų | 138 | 145.2 Ų | 145.2 | 72% | 0.723 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -118 | 17 | -172.8 | -73 | 177.3 | 0 | 0 | 0 | 116.6 | ||
| 370 | H | 29.1 | Very low | 35.8 | Very low | 177 Ų | 177 | 148.8 Ų | 148.8 | 82% | 0.819 | 78% | 0.778 | S | S | * | * | trans | -111.3 | 93.8 | 171.1 | -76.8 | 83.3 | 0 | 0 | 0 | 112.4 | ||||
| 371 | F | 35.3 | Very low | 35.9 | Very low | 218 Ų | 218 | 152.3 Ų | 152.3 | 96% | 0.956 | 80% | 0.797 | S | S | * | * | trans | -77.2 | 121 | 165.7 | -94.8 | -84.7 | 0 | 0 | 0 | 110.8 | ||||
| 372 | G | 28.1 | Very low | 35.7 | Very low | 71 Ų | 71 | 160.2 Ų | 160.2 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | 176.6 | 84.9 | 169 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 373 | R | 33.5 | Very low | 35.7 | Very low | 237 Ų | 237 | 160.9 Ų | 160.9 | 89% | 0.894 | 82% | 0.816 | S | S | * | * | trans | 65.2 | 131.7 | 155.5 | -81.2 | -176.3 | 177.4 | -179.7 | -1 | 121.4 | ||||
| 374 | D | 30.5 | Very low | 35.4 | Very low | 139 Ų | 139 | 158.5 Ų | 158.5 | 74% | 0.743 | 82% | 0.818 | S | S | * | * | trans | 97.6 | 113.1 | 149.6 | -61.7 | -29.5 | 0 | 0 | 0 | 121.3 | ||||
| 375 | R | 31.2 | Very low | 35.3 | Very low | 234 Ų | 234 | 161.7 Ų | 161.7 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | trans | 69.3 | 106.8 | 141.8 | -91.7 | -179.5 | 162.3 | 120.3 | -4.7 | 121.7 | ||||
| 376 | A | 37.2 | Very low | 35.2 | Very low | 88 Ų | 88 | 165 Ų | 165 | 73% | 0.727 | 83% | 0.833 | S | S | * | * | 45.3 | 132.3 | 127.1 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 377 | N | 33.9 | Very low | 34.9 | Very low | 157 Ų | 157 | 165.6 Ų | 165.6 | 84% | 0.84 | 84% | 0.84 | S | S | * | * | trans | 75.6 | 106.1 | 157.4 | -68.1 | -8.6 | 0 | 0 | 0 | 118.6 | ||||
| 378 | S | 33.5 | Very low | 34.9 | Very low | 117 Ų | 117 | 163.4 Ų | 163.4 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | 177.2 | 95.6 | 117.4 | 43.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 379 | T | 37.3 | Very low | 34.7 | Very low | 146 Ų | 146 | 162.4 Ų | 162.4 | 90% | 0.896 | 84% | 0.838 | S | S | * | * | trans | -95.9 | 63.3 | 165 | 40.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 380 | Q | 41.2 | Very low | 34.8 | Very low | 189 Ų | 189 | 164 Ų | 164 | 88% | 0.883 | 85% | 0.847 | S | S | * | * | trans | -156.2 | 85 | 169.4 | -79.8 | -162.5 | -8.8 | 0 | 0 | 111.6 | ||||
| 381 | S | 36.9 | Very low | 35.4 | Very low | 112 Ų | 112 | 160.4 Ų | 160.4 | 78% | 0.783 | 84% | 0.842 | S | S | * | * | trans | -167.2 | 47.5 | 160.5 | 58.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 382 | R | 34.8 | Very low | 35.6 | Very low | 251 Ų | 251 | 160.9 Ų | 160.9 | 95% | 0.947 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -136.5 | 20.1 | 160.1 | -69.9 | -163.7 | -179.1 | -174.6 | 1.9 | 115.1 | ||
| 383 | L | 38.8 | Very low | 36.8 | Very low | 173 Ų | 173 | 162.7 Ų | 162.7 | 91% | 0.906 | 84% | 0.836 | S | S | * | * | trans | -104.3 | 85.6 | 168.3 | -80 | 159.2 | 0 | 0 | 0 | 109.3 | ||||
| 384 | S | 36.4 | Very low | 38.1 | Very low | 114 Ų | 114 | 156.7 Ų | 156.7 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | -179 | 87.4 | 150.8 | 41.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 385 | K | 34.2 | Very low | 40.4 | Very low | 210 Ų | 210 | 152.8 Ų | 152.8 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | trans | -172.6 | 70.5 | 144.8 | -102 | 170.2 | -171.2 | -174.2 | 0 | 109 | ||||
| 386 | R | 36.6 | Very low | 42.8 | Very low | 235 Ų | 235 | 143.8 Ų | 143.8 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | -137.6 | 84.8 | 159.2 | -93.3 | -170.9 | 173.6 | -172.5 | -2.2 | 107.9 | ||||
| 387 | N | 32.3 | Very low | 45.4 | Very low | 171 Ų | 171 | 140.3 Ų | 140.3 | 91% | 0.914 | 75% | 0.75 | S | S | * | * | trans | -124.6 | 98.7 | 158.5 | -96.8 | 0.8 | 0 | 0 | 0 | 106.9 | ||||
| 388 | S | 33.3 | Very low | 48.3 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 71% | 0.71 | S | S | * | * | trans | -162.8 | 111.3 | 148.1 | -164.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 389 | T | 37.1 | Very low | 51.4 | Low | 125 Ų | 125 | 127.4 Ų | 127.4 | 77% | 0.767 | 67% | 0.671 | S | S | * | * | trans | 20.7 | 116.4 | 152.4 | 58.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 390 | D | 39.7 | Very low | 54.3 | Low | 170 Ų | 170 | 120.5 Ų | 120.5 | 91% | 0.909 | 63% | 0.629 | S | S | * | * | trans | 64.3 | 55.7 | 138.5 | -138.4 | 16.5 | 0 | 0 | 0 | 119.8 | ||||
| 391 | S | 40.8 | Very low | 57.1 | Low | 103 Ų | 103 | 111.5 Ų | 111.5 | 72% | 0.72 | 59% | 0.587 | S | S | * | * | trans | -136.6 | 128 | 148.1 | 61.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 392 | R | 40.8 | Very low | 60 | Low | 228 Ų | 228 | 106.1 Ų | 106.1 | 86% | 0.86 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 132.5 | 162.3 | -67.4 | -177.6 | -172.3 | 177.5 | 3.3 | 106 | V394 | R392-V394 PolarHBondContact O-N 3.2Š|
| 393 | P | 52.8 | Low | 63.1 | Low | 109 Ų | 109 | 94.2 Ų | 94.2 | 71% | 0.708 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 119.4 | 173.5 | 22.9 | -30.3 | 0 | 0 | 0 | 107.5 | S395 | P393-S395 PolarHBondContact O-N 3.09Š|
| 394 | V | 60.3 | Low | 65.9 | Low | 111 Ų | 111 | 86 Ų | 86 | 67% | 0.673 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 119.5 | 173.9 | 178.8 | 0 | 0 | 0 | 0 | 105.6 | R392 V396 | R392-V394 PolarHBondContact O-N 3.2Å; V394-V396 PolarHBondContact O-N 3.38Å |
| 395 | S | 78.8 | Confident | 68.8 | Low | 57 Ų | 57 | 83.9 Ų | 83.9 | 40% | 0.399 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 125.5 | 179.5 | -175.1 | 0 | 0 | 0 | 0 | 109 | S349 P393 T397 E416 | S349-S395 PolarHBondContact OG-O 3.08Å; S349-S395 VanDerWaalsContact OG-O 3.09Å; P393-S395 PolarHBondContact O-N 3.09Å; S395-T397 PolarHBondContact O-N 3.13Å; S395-E416 VanDerWaalsContact CA-CD 3.5Å; S395-E416 VanDerWaalsContact CA-OE1 3.31Å; S395-E416 WeakPolarHBondContact CA-OE1 3.48Å; S395-E416 WeakPolarHBondContact CB-OE2 3.45Å; S395-E416 WeakPolarHBondContact OG-CG 3.49Å; S395-E416 PolarHBondContact OG-OE2 2.7Å |
| 396 | V | 81.9 | Confident | 71.8 | Confident | 44 Ų | 44 | 75 Ų | 75 | 27% | 0.267 | 40% | 0.401 | S | S | . | . | trans | -65.6 | 115.3 | -179.5 | 174.8 | 0 | 0 | 0 | 0 | 109.5 | V350 V394 Y398 E416 L419 | V350-V396 HydrophobicContact CG2-CG1 3.88Å; V394-V396 PolarHBondContact O-N 3.38Å; V396-Y398 HydrophobicContact CG1-CD2 4.21Å; V396-Y398 HydrophobicContact CG1-CE2 3.49Å; V396-Y398 VanDerWaalsContact CG1-CE2 3.49Å; V396-E416 HydrophobicContact CB-CG 4.07Å; V396-E416 VanDerWaalsContact N-CD 3.32Å; V396-E416 PolarHBondContact N-OE1 2.83Å; V396-E416 WeakPolarHBondContact O-CG 3.26Å; V396-E416 PolarHBondContact O-N 3.34Å; V396-L419 HydrophobicContact CG1-CD1 4.19Å | ||
| 397 | T | 91.3 | Very high | 74.7 | Confident | 16 Ų | 16 | 64.3 Ų | 64.3 | 10% | 0.098 | 36% | 0.362 | C | S | . | . | trans | -128.9 | 132.5 | 174.7 | -174.2 | 0 | 0 | 0 | 0 | 110.6 | T348 S349 S395 L414 | T348-T397 WeakPolarHBondContact CA-O 3.4Å; S349-T397 PolarHBondContact N-O 3.34Å; S349-T397 WeakPolarHBondContact OG-CG2 3.43Å; S349-T397 PolarHBondContact OG-N 3.18Å; S349-T397 PolarHBondContact OG-O 3Å; S395-T397 PolarHBondContact O-N 3.13Å; T397-L414 WeakPolarHBondContact CA-O 3.32Å | ||
| 398 | Y | 96.3 | Very high | 77.9 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 145.4 | 168.4 | -55.5 | -100.8 | 0 | 0 | 0 | 109.5 | D304 Y307 F343 T348 V350 V396 D413 L414 L419 | D304-Y398 WeakPolarHBondContact OD1-CE1 3.3Å; D304-Y398 PolarHBondContact OD2-OH 2.51Å; Y307-Y398 HydrophobicContact CD2-CD2 4.42Å; Y307-Y398 HydrophobicContact CD2-CE1 4.18Å; Y307-Y398 AromaticContact CD2-CE2 3.84Å; Y307-Y398 HydrophobicContact CD2-CE2 3.84Å; Y307-Y398 AromaticContact CD2-CZ 3.71Å; Y307-Y398 HydrophobicContact CE2-CD2 4.36Å; Y307-Y398 HydrophobicContact CE2-CE1 4.47Å; Y307-Y398 AromaticContact CE2-CE2 3.5Å; Y307-Y398 HydrophobicContact CE2-CE2 3.5Å; Y307-Y398 VanDerWaalsContact CE2-CE2 3.5Å; Y307-Y398 AromaticContact CE2-CZ 3.56Å; Y307-Y398 WeakPolarHBondContact CE2-OH 3.28Å; F343-Y398 HydrophobicContact CD1-CD1 4.38Å; F343-Y398 HydrophobicContact CE1-CD1 4.13Å; F343-Y398 HydrophobicContact CE1-CG 4.22Å; T348-Y398 HydrophobicContact CG2-CD1 3.63Å; T348-Y398 HydrophobicContact CG2-CE1 4.18Å; T348-Y398 HydrophobicContact CG2-CG 4.2Å; V350-Y398 HydrophobicContact CB-CE1 4.48Å; V350-Y398 HydrophobicContact CG2-CD1 4.29Å; V350-Y398 HydrophobicContact CG2-CE1 3.65Å; V350-Y398 HydrophobicContact CG2-CE2 4.2Å; V396-Y398 HydrophobicContact CG1-CD2 4.21Å; V396-Y398 HydrophobicContact CG1-CE2 3.49Å; V396-Y398 VanDerWaalsContact CG1-CE2 3.49Å; Y398-D413 WeakPolarHBondContact O-CA 3.39Å; Y398-L414 HydrophobicContact CD2-CD2 4.18Å; Y398-L414 HydrophobicContact CD2-CG 4.5Å; Y398-L414 PolarHBondContact N-O 3.34Å; Y398-L414 PolarHBondContact O-N 3.28Å; Y398-L419 HydrophobicContact CD2-CD1 4.02Å; Y398-L419 HydrophobicContact CE2-CD1 3.81Å |
| 399 | R | 97.5 | Very high | 81 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 137.1 | 163.4 | 178.8 | 153.9 | -61.6 | 155.1 | 7.6 | 110.3 | R20 E21 F343 D344 T347 T348 W412 D413 | R20-R399 VanDerWaalsContact NE-NH2 3.17Å; E21-R399 IonicContact OE1-CZ 2.97Å; E21-R399 VanDerWaalsContact OE1-CZ 3.22Å; E21-R399 IonicContact OE1-NH1 3.44Å; E21-R399 PolarHBondContact OE1-NH1 3.36Å; E21-R399 IonicContact OE1-NH2 2.66Å; E21-R399 PolarHBondContact OE1-NH2 3.03Å; E21-R399 IonicContact OE2-CZ 2.75Å; E21-R399 IonicContact OE2-NH1 3.3Å; E21-R399 PolarHBondContact OE2-NH1 3.2Å; E21-R399 IonicContact OE2-NH2 2.78Å; F343-R399 WeakPolarHBondContact CD1-O 3.38Å; D344-R399 HydrophobicContact CB-CB 4.12Å; D344-R399 HydrophobicContact CB-CG 3.99Å; D344-R399 PolarHBondContact N-O 3.3Å; T347-R399 WeakPolarHBondContact OG1-CB 3.38Å; T347-R399 WeakPolarHBondContact OG1-CD 3.21Å; T348-R399 PolarHBondContact OG1-N 3Å; R399-W412 WeakPolarHBondContact CA-O 3.49Å; R399-D413 IonicContact CZ-OD1 2.8Å; R399-D413 IonicContact NE-OD1 3.15Å; R399-D413 PolarHBondContact NE-OD1 2.81Å; R399-D413 IonicContact NH2-OD1 3.47Å; R399-D413 PolarHBondContact NH2-OD1 3.05Å; R399-D413 IonicContact NH2-OD2 2.71Å; R399-D413 PolarHBondContact NH2-OD2 2.87Å |
| 400 | F | 98.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 162 | 164.4 | 69.1 | -85.3 | 0 | 0 | 0 | 110.4 | V309 V317 V319 A342 F343 W412 L554 | V309-F400 HydrophobicContact CG1-CD2 3.9Å; V309-F400 HydrophobicContact CG1-CE2 3.75Å; V309-F400 HydrophobicContact CG1-CZ 4.42Å; V309-F400 HydrophobicContact CG2-CD1 4.27Å; V309-F400 HydrophobicContact CG2-CD2 4.19Å; V309-F400 HydrophobicContact CG2-CE1 4.32Å; V309-F400 HydrophobicContact CG2-CE2 4.23Å; V309-F400 HydrophobicContact CG2-CG 4.2Å; V309-F400 HydrophobicContact CG2-CZ 4.3Å; V317-F400 HydrophobicContact CB-CE2 4.27Å; V317-F400 HydrophobicContact CG2-CE2 4.01Å; V317-F400 HydrophobicContact CG2-CZ 4.24Å; V319-F400 HydrophobicContact CG2-CE1 4.17Å; V319-F400 HydrophobicContact CG2-CZ 4.06Å; A342-F400 CarbonylContact O-C 3.59Å; A342-F400 VanDerWaalsContact O-CA 3.26Å; A342-F400 WeakPolarHBondContact O-CA 3.37Å; A342-F400 WeakPolarHBondContact O-CB 3.33Å; F343-F400 HydrophobicContact CD1-CB 3.86Å; F343-F400 HydrophobicContact CD2-CB 4.38Å; F343-F400 HydrophobicContact CE1-CB 4.15Å; F343-F400 HydrophobicContact CE1-CD1 4.29Å; F343-F400 HydrophobicContact CG-CB 4Å; F400-W412 HydrophobicContact CD1-CB 3.9Å; F400-W412 HydrophobicContact CD2-CB 4.08Å; F400-W412 AromaticContact CD2-CD1 3.46Å; F400-W412 VanDerWaalsContact CD2-CD1 3.46Å; F400-W412 AromaticContact CD2-CG 3.97Å; F400-W412 HydrophobicContact CD2-CG 3.97Å; F400-W412 HydrophobicContact CE1-CB 3.46Å; F400-W412 VanDerWaalsContact CE1-CB 3.46Å; F400-W412 HydrophobicContact CE1-CG 4.15Å; F400-W412 HydrophobicContact CE2-CB 3.67Å; F400-W412 AromaticContact CE2-CD1 3.2Å; F400-W412 HydrophobicContact CE2-CD2 4.15Å; F400-W412 AromaticContact CE2-CG 3.41Å; F400-W412 HydrophobicContact CE2-CG 3.41Å; F400-W412 VanDerWaalsContact CE2-CG 3.41Å; F400-W412 AromaticContact CE2-NE1 3.82Å; F400-W412 HydrophobicContact CG-CB 4.19Å; F400-W412 HydrophobicContact CZ-CB 3.34Å; F400-W412 AromaticContact CZ-CD1 3.82Å; F400-W412 HydrophobicContact CZ-CD2 4.2Å; F400-W412 AromaticContact CZ-CG 3.51Å; F400-W412 HydrophobicContact CZ-CG 3.51Å; F400-W412 PolarHBondContact N-O 2.82Å; F400-W412 VanDerWaalsContact N-O 3.09Å; F400-W412 PolarHBondContact O-N 2.82Å; F400-L554 HydrophobicContact CE1-CD1 4.4Å; F400-L554 HydrophobicContact CZ-CD1 4.18Å |
| 401 | G | 98.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 162.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V341 A342 C410 L570 | V341-G401 WeakPolarHBondContact CA-O 3.49Å; A342-G401 PolarHBondContact N-O 3.45Å; A342-G401 PolarHBondContact O-N 2.85Å; G401-C410 CarbonylContact C-O 3.46Å; G401-C410 WeakPolarHBondContact CA-O 3.07Å; G401-L570 WeakPolarHBondContact O-CD2 3.27Å |
| 402 | S | 98.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 147.5 | 172.1 | 60.5 | 0 | 0 | 0 | 0 | 111 | H334 V340 C410 W412 | H334-S402 PolarHBondContact CD2-OG 2.87Å; H334-S402 WeakPolarHBondContact NE2-CB 3.5Å; H334-S402 PolarHBondContact NE2-OG 3.04Å; V340-S402 CarbonylContact O-C 3.59Å; V340-S402 VanDerWaalsContact O-CA 3.24Å; V340-S402 WeakPolarHBondContact O-CA 3.35Å; S402-C410 PolarHBondContact N-O 2.82Å; S402-C410 PolarHBondContact O-N 3.07Å; S402-W412 PolarHBondContact OG-NE1 3.06Å |
| 403 | V | 98.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 144.6 | 172.8 | -65.8 | 0 | 0 | 0 | 0 | 110.3 | S339 V340 Q408 L409 L567 L570 | S339-V403 PolarHBondContact N-O 2.82Å; V340-V403 HydrophobicContact CB-CG2 3.72Å; V340-V403 HydrophobicContact CG2-CG2 4.12Å; V340-V403 PolarHBondContact N-O 2.97Å; V340-V403 PolarHBondContact O-N 3.36Å; V403-Q408 WeakPolarHBondContact CA-O 3.46Å; V403-L409 HydrophobicContact CG1-CB 4.2Å; V403-L409 HydrophobicContact CG1-CD1 3.63Å; V403-L567 HydrophobicContact CB-CB 3.63Å; V403-L567 HydrophobicContact CB-CD1 3.7Å; V403-L567 HydrophobicContact CB-CG 4.28Å; V403-L567 HydrophobicContact CG1-CB 4.34Å; V403-L567 HydrophobicContact CG1-CD1 3.76Å; V403-L567 HydrophobicContact CG2-CB 3.86Å; V403-L570 HydrophobicContact CG1-CB 4.09Å; V403-L570 HydrophobicContact CG1-CD1 4.36Å; V403-L570 HydrophobicContact CG1-CD2 4.3Å; V403-L570 HydrophobicContact CG1-CG 4.49Å; V403-L570 HydrophobicContact CG2-CB 3.88Å |
| 404 | G | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 172.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115 | H334 W337 D406 T407 Q408 L567 | H334-G404 PolarHBondContact CE1-N 2.89Å; W337-G404 CarbonylContact O-C 3.59Å; W337-G404 VanDerWaalsContact O-CA 3.3Å; W337-G404 WeakPolarHBondContact O-CA 3.19Å; G404-D406 VanDerWaalsContact CA-OD1 3.29Å; G404-D406 WeakPolarHBondContact CA-OD1 3.28Å; G404-D406 PolarHBondContact O-N 3.44Å; G404-T407 PolarHBondContact O-N 3Å; G404-T407 VanDerWaalsContact O-N 3.13Å; G404-Q408 PolarHBondContact N-O 2.89Å; G404-L567 PolarHBondContact O-N 2.81Å |
| 405 | Q | 97.8 | Very high | 95.6 | Very high | 71 Ų | 71 | 15.3 Ų | 15.3 | 33% | 0.332 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -16.7 | 169.7 | -62.5 | -169.9 | 23.4 | 0 | 0 | 112.6 | W337 S339 T407 R566 | W337-Q405 HydrophobicContact CB-CG 4.13Å; W337-Q405 VanDerWaalsContact CE3-NE2 3.27Å; W337-Q405 PolarHBondContact O-N 3.07Å; S339-Q405 WeakPolarHBondContact OG-CG 3.32Å; Q405-T407 PolarHBondContact O-N 2.85Å; Q405-R566 HydrophobicContact CB-CB 4.22Å; Q405-R566 HydrophobicContact CG-CB 4.34Å |
| 406 | D | 97.7 | Very high | 96.1 | Very high | 23 Ų | 23 | 15.3 Ų | 15.3 | 12% | 0.123 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 2.4 | 171.4 | 65.7 | -8.3 | 0 | 0 | 0 | 113.7 | H334 K335 G404 Q408 | H334-D406 VanDerWaalsContact CA-OD2 3.23Å; H334-D406 WeakPolarHBondContact CA-OD2 3.3Å; H334-D406 WeakPolarHBondContact CB-OD2 3.26Å; H334-D406 IonicContact CG-OD2 3.04Å; H334-D406 IonicContact ND1-OD1 2.75Å; H334-D406 PolarHBondContact ND1-OD1 3.01Å; H334-D406 IonicContact ND1-OD2 3.91Å; H334-D406 PolarHBondContact ND1-OD2 3.43Å; H334-D406 VanDerWaalsContact ND1-OD2 3.15Å; K335-D406 HydrophobicContact CB-CB 4.1Å; K335-D406 PolarHBondContact N-OD2 2.78Å; G404-D406 VanDerWaalsContact CA-OD1 3.29Å; G404-D406 WeakPolarHBondContact CA-OD1 3.28Å; G404-D406 PolarHBondContact O-N 3.44Å; D406-Q408 HydrophobicContact CB-CG 4.48Å; D406-Q408 PolarHBondContact O-N 3.2Å; D406-Q408 PolarHBondContact OD1-N 2.53Å; D406-Q408 VanDerWaalsContact OD1-N 3.12Å; D406-Q408 PolarHBondContact OD2-NE2 3.29Å |
| 407 | T | 98 | Very high | 96.4 | Very high | 11 Ų | 11 | 18.4 Ų | 18.4 | 7% | 0.067 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 67.2 | 16.9 | 179 | 74.3 | 0 | 0 | 0 | 0 | 114 | G404 Q405 K561 I562 A563 E565 | G404-T407 PolarHBondContact O-N 3Å; G404-T407 VanDerWaalsContact O-N 3.13Å; Q405-T407 PolarHBondContact O-N 2.85Å; T407-K561 WeakPolarHBondContact O-CA 3.43Å; T407-K561 WeakPolarHBondContact OG1-CG 3.41Å; T407-K561 PolarHBondContact OG1-NZ 2.94Å; T407-I562 PolarHBondContact O-N 3.17Å; T407-A563 WeakPolarHBondContact CB-O 3.45Å; T407-A563 PolarHBondContact OG1-O 3.38Å; T407-E565 VanDerWaalsContact CG2-C 3.42Å; T407-E565 VanDerWaalsContact CG2-O 3.3Å; T407-E565 WeakPolarHBondContact CG2-O 3.23Å |
| 408 | Q | 98.4 | Very high | 96.3 | Very high | 22 Ų | 22 | 18.7 Ų | 18.7 | 10% | 0.103 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 144.4 | -177.5 | -61 | -175.2 | 97.2 | 0 | 0 | 112.1 | H334 V403 G404 D406 C559 K560 K561 L567 | H334-Q408 PolarHBondContact CE1-O 3.35Å; V403-Q408 WeakPolarHBondContact CA-O 3.46Å; G404-Q408 PolarHBondContact N-O 2.89Å; D406-Q408 HydrophobicContact CB-CG 4.48Å; D406-Q408 PolarHBondContact O-N 3.2Å; D406-Q408 PolarHBondContact OD1-N 2.53Å; D406-Q408 VanDerWaalsContact OD1-N 3.12Å; D406-Q408 PolarHBondContact OD2-NE2 3.29Å; Q408-C559 PolarHBondContact OE1-SG 3.15Å; Q408-K560 CarbonylContact C-O 3.55Å; Q408-K560 VanDerWaalsContact CA-O 3.23Å; Q408-K560 WeakPolarHBondContact CA-O 3.48Å; Q408-K561 HydrophobicContact CG-CB 4.44Å; Q408-L567 WeakPolarHBondContact O-CD1 3.48Å |
| 409 | L | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 129.5 | 163 | 171.3 | 66.8 | 0 | 0 | 0 | 108.7 | F17 V403 L411 I558 C559 K560 I562 L570 | F17-L409 HydrophobicContact CE1-CD2 3.8Å; F17-L409 HydrophobicContact CZ-CD2 3.86Å; V403-L409 HydrophobicContact CG1-CB 4.2Å; V403-L409 HydrophobicContact CG1-CD1 3.63Å; L409-L411 HydrophobicContact CD1-CD2 4.4Å; L409-I558 HydrophobicContact CD2-CD1 4.26Å; L409-I558 HydrophobicContact CG-CD1 4.09Å; L409-I558 WeakPolarHBondContact O-CD1 3.44Å; L409-C559 WeakPolarHBondContact O-CA 3.38Å; L409-K560 PolarHBondContact N-O 3.45Å; L409-K560 PolarHBondContact O-N 3.2Å; L409-I562 HydrophobicContact CB-CD1 3.75Å; L409-I562 HydrophobicContact CB-CG1 4.11Å; L409-I562 HydrophobicContact CB-CG2 4.32Å; L409-I562 HydrophobicContact CD2-CD1 4.39Å; L409-L570 HydrophobicContact CD1-CD1 3.86Å; L409-L570 HydrophobicContact CD1-CD2 4.3Å |
| 410 | C | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 139.5 | 168.7 | -62.9 | 0 | 0 | 0 | 0 | 110.4 | H334 G401 S402 W412 P556 I558 C559 | H334-C410 VanDerWaalsContact CE1-SG 3.55Å; H334-C410 PolarHBondContact NE2-SG 3.04Å; G401-C410 CarbonylContact C-O 3.46Å; G401-C410 WeakPolarHBondContact CA-O 3.07Å; S402-C410 PolarHBondContact N-O 2.82Å; S402-C410 PolarHBondContact O-N 3.07Å; C410-W412 HydrophobicContact CB-CZ2 3.54Å; C410-P556 HydrophobicContact CB-CB 4.05Å; C410-I558 WeakPolarHBondContact CA-O 3.44Å; C410-C559 PolarHBondContact SG-SG 3.29Å |
| 411 | L | 98.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 143.1 | 166.4 | -62.8 | -179.7 | 0 | 0 | 0 | 109.5 | F17 T19 L409 P556 L557 I558 F572 | F17-L411 HydrophobicContact CE2-CD1 3.81Å; F17-L411 HydrophobicContact CZ-CD1 4.48Å; T19-L411 HydrophobicContact CG2-CD1 4.01Å; L409-L411 HydrophobicContact CD1-CD2 4.4Å; L411-P556 CarbonylContact O-C 3.45Å; L411-P556 WeakPolarHBondContact O-CA 3.19Å; L411-L557 WeakPolarHBondContact O-CB 3.18Å; L411-L557 PolarHBondContact O-N 2.73Å; L411-I558 HydrophobicContact CB-CG1 3.85Å; L411-I558 HydrophobicContact CD1-CD1 4.44Å; L411-I558 HydrophobicContact CD1-CG1 3.91Å; L411-I558 HydrophobicContact CG-CD1 4.08Å; L411-I558 HydrophobicContact CG-CG1 3.75Å; L411-I558 PolarHBondContact N-O 3.5Å; L411-I558 VanDerWaalsContact N-O 3.11Å; L411-F572 HydrophobicContact CD2-CE1 4.14Å; L411-F572 HydrophobicContact CD2-CZ 3.84Å |
| 412 | W | 98.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 138.6 | -172.2 | -44.8 | 85.7 | 0 | 0 | 0 | 109.1 | V317 R399 F400 S402 C410 L554 P556 | V317-W412 HydrophobicContact CG1-CZ2 4.24Å; V317-W412 HydrophobicContact CG2-CD2 4.06Å; V317-W412 HydrophobicContact CG2-CE3 4.27Å; V317-W412 HydrophobicContact CG2-CH2 3.94Å; V317-W412 HydrophobicContact CG2-CZ2 3.71Å; V317-W412 HydrophobicContact CG2-CZ3 4.21Å; R399-W412 WeakPolarHBondContact CA-O 3.49Å; F400-W412 HydrophobicContact CD1-CB 3.9Å; F400-W412 HydrophobicContact CD2-CB 4.08Å; F400-W412 AromaticContact CD2-CD1 3.46Å; F400-W412 VanDerWaalsContact CD2-CD1 3.46Å; F400-W412 AromaticContact CD2-CG 3.97Å; F400-W412 HydrophobicContact CD2-CG 3.97Å; F400-W412 HydrophobicContact CE1-CB 3.46Å; F400-W412 VanDerWaalsContact CE1-CB 3.46Å; F400-W412 HydrophobicContact CE1-CG 4.15Å; F400-W412 HydrophobicContact CE2-CB 3.67Å; F400-W412 AromaticContact CE2-CD1 3.2Å; F400-W412 HydrophobicContact CE2-CD2 4.15Å; F400-W412 AromaticContact CE2-CG 3.41Å; F400-W412 HydrophobicContact CE2-CG 3.41Å; F400-W412 VanDerWaalsContact CE2-CG 3.41Å; F400-W412 AromaticContact CE2-NE1 3.82Å; F400-W412 HydrophobicContact CG-CB 4.19Å; F400-W412 HydrophobicContact CZ-CB 3.34Å; F400-W412 AromaticContact CZ-CD1 3.82Å; F400-W412 HydrophobicContact CZ-CD2 4.2Å; F400-W412 AromaticContact CZ-CG 3.51Å; F400-W412 HydrophobicContact CZ-CG 3.51Å; F400-W412 PolarHBondContact N-O 2.82Å; F400-W412 VanDerWaalsContact N-O 3.09Å; F400-W412 PolarHBondContact O-N 2.82Å; S402-W412 PolarHBondContact OG-NE1 3.06Å; C410-W412 HydrophobicContact CB-CZ2 3.54Å; W412-L554 HydrophobicContact CE3-CB 4.01Å; W412-L554 HydrophobicContact CZ3-CB 4.3Å; W412-P556 HydrophobicContact CD2-CB 4.29Å; W412-P556 HydrophobicContact CE3-CB 4.01Å; W412-P556 HydrophobicContact CH2-CB 4.01Å; W412-P556 HydrophobicContact CH2-CG 4.3Å; W412-P556 HydrophobicContact CZ2-CB 4.28Å; W412-P556 HydrophobicContact CZ3-CB 3.86Å; W412-P556 HydrophobicContact CZ3-CG 4.24Å |
| 413 | D | 96.2 | Very high | 90.8 | Very high | 34 Ų | 34 | 40.9 Ų | 40.9 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 134.5 | 170.9 | -78 | -9.6 | 0 | 0 | 0 | 108.9 | R20 Y398 R399 | R20-D413 IonicContact CZ-OD2 3.38Å; R20-D413 IonicContact NE-OD2 3.36Å; R20-D413 IonicContact NH1-OD2 3.04Å; R20-D413 PolarHBondContact NH1-OD2 3.31Å; R20-D413 IonicContact NH2-OD2 2.86Å; Y398-D413 WeakPolarHBondContact O-CA 3.39Å; R399-D413 IonicContact CZ-OD1 2.8Å; R399-D413 IonicContact NE-OD1 3.15Å; R399-D413 PolarHBondContact NE-OD1 2.81Å; R399-D413 IonicContact NH2-OD1 3.47Å; R399-D413 PolarHBondContact NH2-OD1 3.05Å; R399-D413 IonicContact NH2-OD2 2.71Å; R399-D413 PolarHBondContact NH2-OD2 2.87Å |
| 414 | L | 94.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 105 | 172.5 | -176.4 | 64.6 | 0 | 0 | 0 | 107.6 | V319 T397 Y398 I418 L419 | V319-L414 HydrophobicContact CG1-CD2 3.8Å; T397-L414 WeakPolarHBondContact CA-O 3.32Å; Y398-L414 HydrophobicContact CD2-CD2 4.18Å; Y398-L414 HydrophobicContact CD2-CG 4.5Å; Y398-L414 PolarHBondContact N-O 3.34Å; Y398-L414 PolarHBondContact O-N 3.28Å; L414-I418 HydrophobicContact CD1-CB 3.98Å; L414-I418 HydrophobicContact CD1-CG2 3.47Å; L414-I418 VanDerWaalsContact CD1-CG2 3.47Å; L414-L419 HydrophobicContact CD1-CD2 3.8Å; L414-L419 HydrophobicContact CD1-CG 4.16Å; L414-L419 HydrophobicContact CD2-CD2 3.46Å; L414-L419 VanDerWaalsContact CD2-CD2 3.46Å; L414-L419 HydrophobicContact CD2-CG 4.27Å; L414-L419 HydrophobicContact CG-CD1 4.24Å; L414-L419 HydrophobicContact CG-CD2 3.49Å; L414-L419 VanDerWaalsContact CG-CD2 3.49Å; L414-L419 HydrophobicContact CG-CG 3.8Å |
| 415 | T | 91.8 | Very high | 86.1 | Confident | 38 Ų | 38 | 54.3 Ų | 54.3 | 23% | 0.233 | 28% | 0.284 | C | S | . | . | trans | -105.7 | 166.1 | -174.2 | 45.3 | 0 | 0 | 0 | 0 | 111.5 | D417 I418 L419 | T415-D417 WeakPolarHBondContact CB-OD1 3.23Å; T415-D417 PolarHBondContact O-N 3.48Å; T415-D417 PolarHBondContact OG1-OD1 3.48Å; T415-I418 PolarHBondContact O-N 2.75Å; T415-L419 WeakPolarHBondContact O-CG 3.35Å; T415-L419 PolarHBondContact O-N 3.41Å | ||
| 416 | E | 87.6 | Confident | 83.8 | Confident | 57 Ų | 57 | 56.6 Ų | 56.6 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.4 | -31.8 | -175.8 | -74 | -178.4 | 157.2 | 0 | 0 | 114.6 | S395 V396 I418 L419 F420 | S395-E416 VanDerWaalsContact CA-CD 3.5Å; S395-E416 VanDerWaalsContact CA-OE1 3.31Å; S395-E416 WeakPolarHBondContact CA-OE1 3.48Å; S395-E416 WeakPolarHBondContact CB-OE2 3.45Å; S395-E416 WeakPolarHBondContact OG-CG 3.49Å; S395-E416 PolarHBondContact OG-OE2 2.7Å; V396-E416 HydrophobicContact CB-CG 4.07Å; V396-E416 VanDerWaalsContact N-CD 3.32Å; V396-E416 PolarHBondContact N-OE1 2.83Å; V396-E416 WeakPolarHBondContact O-CG 3.26Å; V396-E416 PolarHBondContact O-N 3.34Å; E416-I418 VanDerWaalsContact C-N 3.3Å; E416-I418 PolarHBondContact O-N 3.11Å; E416-L419 PolarHBondContact O-N 2.89Å; E416-F420 HydrophobicContact CB-CD2 4.33Å; E416-F420 HydrophobicContact CG-CD2 4.4Å; E416-F420 WeakPolarHBondContact O-CA 3.41Å; E416-F420 WeakPolarHBondContact O-CB 3.45Å; E416-F420 PolarHBondContact O-N 3.49Å |
| 417 | D | 88.6 | Confident | 81.1 | Confident | 109 Ų | 109 | 67.1 Ų | 67.1 | 58% | 0.583 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.6 | -31.8 | 177.3 | 60.6 | -50.3 | 0 | 0 | 0 | 112.7 | T415 P421 | T415-D417 WeakPolarHBondContact CB-OD1 3.23Å; T415-D417 PolarHBondContact O-N 3.48Å; T415-D417 PolarHBondContact OG1-OD1 3.48Å; D417-P421 WeakPolarHBondContact O-CA 3.29Å |
| 418 | I | 90.6 | Very high | 78.3 | Confident | 23 Ų | 23 | 71 Ų | 71 | 12% | 0.118 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -79.8 | -41.9 | 173.9 | -62.1 | 156.5 | 0 | 0 | 0 | 110.3 | I328 A329 L414 T415 E416 P552 L554 | I328-I418 HydrophobicContact CG2-CG2 4.44Å; A329-I418 HydrophobicContact CB-CG2 3.81Å; L414-I418 HydrophobicContact CD1-CB 3.98Å; L414-I418 HydrophobicContact CD1-CG2 3.47Å; L414-I418 VanDerWaalsContact CD1-CG2 3.47Å; T415-I418 PolarHBondContact O-N 2.75Å; E416-I418 VanDerWaalsContact C-N 3.3Å; E416-I418 PolarHBondContact O-N 3.11Å; I418-P552 HydrophobicContact CG2-CB 4.36Å; I418-L554 HydrophobicContact CD1-CD2 3.4Å; I418-L554 HydrophobicContact CG1-CD2 4.1Å; I418-L554 HydrophobicContact CG2-CD2 4.07Å |
| 419 | L | 88.7 | Confident | 75.4 | Confident | 8 Ų | 8 | 80 Ų | 80 | 4% | 0.042 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.3 | -37.3 | -178.6 | -68.5 | 175.7 | 0 | 0 | 0 | 112.6 | Y307 I328 V396 Y398 L414 T415 E416 | Y307-L419 HydrophobicContact CD1-CD2 4.32Å; Y307-L419 HydrophobicContact CE1-CD2 3.57Å; Y307-L419 HydrophobicContact CE2-CD2 4.01Å; Y307-L419 WeakPolarHBondContact OH-CD2 3.4Å; I328-L419 HydrophobicContact CG2-CD2 4.43Å; V396-L419 HydrophobicContact CG1-CD1 4.19Å; Y398-L419 HydrophobicContact CD2-CD1 4.02Å; Y398-L419 HydrophobicContact CE2-CD1 3.81Å; L414-L419 HydrophobicContact CD1-CD2 3.8Å; L414-L419 HydrophobicContact CD1-CG 4.16Å; L414-L419 HydrophobicContact CD2-CD2 3.46Å; L414-L419 VanDerWaalsContact CD2-CD2 3.46Å; L414-L419 HydrophobicContact CD2-CG 4.27Å; L414-L419 HydrophobicContact CG-CD1 4.24Å; L414-L419 HydrophobicContact CG-CD2 3.49Å; L414-L419 VanDerWaalsContact CG-CD2 3.49Å; L414-L419 HydrophobicContact CG-CG 3.8Å; T415-L419 WeakPolarHBondContact O-CG 3.35Å; T415-L419 PolarHBondContact O-N 3.41Å; E416-L419 PolarHBondContact O-N 2.89Å |
| 420 | F | 85.2 | Confident | 72.4 | Confident | 82 Ų | 82 | 86 Ų | 86 | 36% | 0.36 | 45% | 0.448 | S | S | . | . | trans | -134.7 | 63.7 | -171.7 | -49.2 | -66.3 | 0 | 0 | 0 | 111.8 | E416 H422 Q423 | E416-F420 HydrophobicContact CB-CD2 4.33Å; E416-F420 HydrophobicContact CG-CD2 4.4Å; E416-F420 WeakPolarHBondContact O-CA 3.41Å; E416-F420 WeakPolarHBondContact O-CB 3.45Å; E416-F420 PolarHBondContact O-N 3.49Å; F420-H422 PolarHBondContact O-N 3.18Å; F420-Q423 HydrophobicContact CB-CG 3.94Å; F420-Q423 PolarHBondContact O-N 2.81Å; F420-Q423 VanDerWaalsContact O-N 3.11Å | ||
| 421 | P | 72.6 | Confident | 69.4 | Low | 82 Ų | 82 | 93.1 Ų | 93.1 | 53% | 0.532 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -12.1 | -174.3 | 25.2 | -35.4 | 0 | 0 | 0 | 114.4 | D417 | D417-P421 WeakPolarHBondContact O-CA 3.29Š|
| 422 | H | 67.6 | Low | 66.4 | Low | 177 Ų | 177 | 98.8 Ų | 98.8 | 82% | 0.819 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | 6.6 | -179.2 | -60.4 | -53.5 | 0 | 0 | 0 | 114.8 | F420 | F420-H422 PolarHBondContact O-N 3.18Š|
| 423 | Q | 58.9 | Low | 63.3 | Low | 119 Ų | 119 | 106 Ų | 106 | 56% | 0.556 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -76.3 | 130.1 | 171.4 | -76 | -174.7 | 7 | 0 | 0 | 110.4 | F420 L425 | F420-Q423 HydrophobicContact CB-CG 3.94Å; F420-Q423 PolarHBondContact O-N 2.81Å; F420-Q423 VanDerWaalsContact O-N 3.11Å; Q423-L425 PolarHBondContact O-N 3.41Å |
| 424 | P | 50.1 | Low | 60.4 | Low | 121 Ų | 121 | 110.6 Ų | 110.6 | 79% | 0.786 | 58% | 0.584 | S | S | * | * | trans | -64.4 | 115.3 | 175.7 | 24.6 | -30.1 | 0 | 0 | 0 | 108.7 | S426 | P424-S426 PolarHBondContact O-N 3.35Š| ||
| 425 | L | 49.8 | Very low | 57.5 | Low | 162 Ų | 162 | 119 Ų | 119 | 85% | 0.848 | 63% | 0.625 | S | S | * | * | trans | -48.7 | 111.4 | 170.9 | -71.7 | 165.8 | 0 | 0 | 0 | 108.2 | Q423 R427 | Q423-L425 PolarHBondContact O-N 3.41Å; L425-R427 VanDerWaalsContact C-N 3.34Å; L425-R427 PolarHBondContact O-N 2.87Å | ||
| 426 | S | 49.2 | Very low | 54.7 | Low | 119 Ų | 119 | 125.4 Ų | 125.4 | 83% | 0.832 | 66% | 0.658 | S | S | * | * | trans | -61.1 | 99.2 | 172.5 | 31 | 0 | 0 | 0 | 0 | 107.8 | P424 A428 | P424-S426 PolarHBondContact O-N 3.35Å; S426-A428 PolarHBondContact O-N 2.93Å | ||
| 427 | R | 40.6 | Very low | 52 | Low | 243 Ų | 243 | 127.2 Ų | 127.2 | 92% | 0.917 | 68% | 0.683 | S | S | * | * | trans | -52.4 | 113.5 | 174 | -89.5 | -178.2 | 172.5 | 173.5 | -2 | 107.9 | L425 R429 | L425-R427 VanDerWaalsContact C-N 3.34Å; L425-R427 PolarHBondContact O-N 2.87Å; R427-R429 PolarHBondContact O-N 3.22Å | ||
| 428 | A | 38.6 | Very low | 49.4 | Very low | 92 Ų | 92 | 128.7 Ų | 128.7 | 76% | 0.76 | 70% | 0.696 | S | S | * | * | trans | -54.6 | 113.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | S426 T430 | S426-A428 PolarHBondContact O-N 2.93Å; A428-T430 PolarHBondContact O-N 3.12Å | ||
| 429 | R | 38.7 | Very low | 46.7 | Very low | 212 Ų | 212 | 133 Ų | 133 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | trans | -66.9 | 102.7 | 176.2 | -145 | 179 | -176 | -176.7 | 0.4 | 106.2 | R427 H431 | R427-R429 PolarHBondContact O-N 3.22Å; R429-H431 VanDerWaalsContact C-N 3.33Å; R429-H431 PolarHBondContact O-N 3.31Å | ||
| 430 | T | 34.8 | Very low | 44.4 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | trans | -63 | 99.7 | 167.8 | 37.1 | 0 | 0 | 0 | 0 | 107.1 | A428 T432 | A428-T430 PolarHBondContact O-N 3.12Å; T430-T432 PolarHBondContact O-N 3.31Å | ||
| 431 | H | 36.3 | Very low | 42.4 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | trans | -67.5 | 98.7 | 167.8 | -82.9 | -96.1 | 0 | 0 | 0 | 107.4 | R429 N433 | R429-H431 VanDerWaalsContact C-N 3.33Å; R429-H431 PolarHBondContact O-N 3.31Å; H431-N433 PolarHBondContact O-N 3.47Å | ||
| 432 | T | 35.6 | Very low | 40.5 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -68.1 | 106.2 | 161 | 40.5 | 0 | 0 | 0 | 0 | 107.5 | T430 V434 | T430-T432 PolarHBondContact O-N 3.31Å; T432-V434 PolarHBondContact O-N 3.28Å; T432-V434 VanDerWaalsContact O-N 3.08Å | ||
| 433 | N | 33.4 | Very low | 38.8 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -63.8 | 104.7 | 170.1 | -83.1 | -17.5 | 0 | 0 | 0 | 109.1 | H431 | H431-N433 PolarHBondContact O-N 3.47Š| ||
| 434 | V | 33.9 | Very low | 37.5 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | trans | -91.9 | 111 | 162.9 | -164.8 | 0 | 0 | 0 | 0 | 106.4 | T432 N436 | T432-V434 PolarHBondContact O-N 3.28Å; T432-V434 VanDerWaalsContact O-N 3.08Å; V434-N436 PolarHBondContact O-N 3.13Å | ||
| 435 | M | 35.2 | Very low | 36.6 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 86% | 0.862 | 82% | 0.815 | S | S | * | * | trans | -66.7 | 129.5 | 176.6 | -71.6 | -173.3 | 173 | 0 | 0 | 110.2 | A437 | M435-A437 PolarHBondContact O-N 2.98Š| ||
| 436 | N | 31.8 | Very low | 35.7 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | trans | -57.3 | 124 | 164.7 | -95.6 | 1.7 | 0 | 0 | 0 | 110 | V434 | V434-N436 PolarHBondContact O-N 3.13Š| ||
| 437 | A | 32.9 | Very low | 34.8 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | -115.9 | 120.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | M435 | M435-A437 PolarHBondContact O-N 2.98Š| ||
| 438 | T | 32.4 | Very low | 34.5 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -39.7 | 134.7 | 170.3 | 33.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 439 | S | 34.5 | Very low | 34.2 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | -68.6 | 149.6 | 160 | 40.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 440 | P | 39.3 | Very low | 34 | Very low | 118 Ų | 118 | 127.2 Ų | 127.2 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | -150.5 | -167.2 | 107.9 | 42.8 | -24.3 | 0 | 0 | 0 | 112.6 | |||||
| 441 | P | 44.3 | Very low | 34.1 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | -116.3 | 178.5 | -90 | 33.3 | -13.9 | 0 | 0 | 0 | 114.1 | |||||
| 442 | A | 33.3 | Very low | 34.4 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -63.1 | 146.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 443 | G | 31 | Very low | 34.3 | Very low | 82 Ų | 82 | 124.1 Ų | 124.1 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -154.8 | 131.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 444 | S | 31.1 | Very low | 34.4 | Very low | 100 Ų | 100 | 124.7 Ų | 124.7 | 70% | 0.699 | 82% | 0.817 | S | S | * | * | trans | -93.9 | 159.4 | -162.8 | 58.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 445 | N | 31.6 | Very low | 34.4 | Very low | 167 Ų | 167 | 124.4 Ų | 124.4 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | trans | 84.2 | 128.4 | 148.4 | -67.2 | -9.8 | 0 | 0 | 0 | 120.8 | ||||
| 446 | G | 30.2 | Very low | 34.6 | Very low | 79 Ų | 79 | 122.4 Ų | 122.4 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | 157.6 | 79 | 154.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 447 | N | 31.7 | Very low | 35.6 | Very low | 160 Ų | 160 | 119.5 Ų | 119.5 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | 3.1 | 150.2 | 156.4 | -77.9 | -5.6 | 0 | 0 | 0 | 125.5 | ||||
| 448 | S | 34 | Very low | 36.5 | Very low | 115 Ų | 115 | 120.7 Ų | 120.7 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 91.2 | 144.3 | 143.5 | 83.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 449 | V | 32.6 | Very low | 37.3 | Very low | 121 Ų | 121 | 120.1 Ų | 120.1 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | cis | -177.2 | 135.7 | -21.3 | 131.7 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 450 | T | 34.3 | Very low | 37.5 | Very low | 118 Ų | 118 | 122.5 Ų | 122.5 | 72% | 0.724 | 81% | 0.81 | S | S | * | * | trans | 47.1 | 139.7 | 156.5 | 62.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 451 | T | 35.8 | Very low | 37.7 | Very low | 130 Ų | 130 | 123 Ų | 123 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | cis | -172.8 | 172.9 | 40.5 | 3.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 452 | P | 43.7 | Very low | 37.2 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | trans | -105.4 | 162.4 | -145.6 | 40.5 | -36.5 | 0 | 0 | 0 | 116.8 | ||||
| 453 | G | 32.3 | Very low | 37.2 | Very low | 77 Ų | 77 | 127.8 Ų | 127.8 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -139.8 | 119.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 454 | N | 35.4 | Very low | 37.3 | Very low | 165 Ų | 165 | 132.3 Ų | 132.3 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | trans | -56.4 | 145.2 | 172.9 | -86.7 | -15.1 | 0 | 0 | 0 | 113.2 | ||||
| 455 | S | 34.9 | Very low | 37.5 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | -175.5 | 139 | 126.5 | 38.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 456 | V | 39.7 | Very low | 37.8 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 147.5 | -176.4 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 457 | P | 52.1 | Low | 38.7 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 146.4 | 174.4 | 31.4 | -32.5 | 0 | 0 | 0 | 112.5 | ||
| 458 | P | 52.1 | Low | 38.6 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 153.7 | 178.3 | 33 | -32.6 | 0 | 0 | 0 | 112.5 | ||
| 459 | P | 48.9 | Very low | 38.5 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 152.9 | 178.4 | 35.2 | -31.6 | 0 | 0 | 0 | 113.3 | ||
| 460 | L | 38.5 | Very low | 38.3 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 145.1 | 173.1 | -67.4 | 156.6 | 0 | 0 | 0 | 112.3 | ||
| 461 | P | 44.5 | Very low | 38.1 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 136.9 | 173.6 | 32.4 | -29.9 | 0 | 0 | 0 | 112.5 | ||
| 462 | R | 33.5 | Very low | 37.8 | Very low | 236 Ų | 236 | 135.3 Ų | 135.3 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 144.6 | 170.1 | -87.4 | -177.5 | 169.9 | 149.5 | -2.7 | 111.1 | ||
| 463 | S | 33.8 | Very low | 37.1 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 70% | 0.699 | 83% | 0.826 | S | S | * | * | trans | 28.7 | 131.4 | 142.7 | 58.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 464 | N | 32.1 | Very low | 37 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 94% | 0.941 | 83% | 0.828 | S | S | * | * | trans | -136.8 | 112.2 | 151.3 | -92.1 | -19.4 | 0 | 0 | 0 | 111.3 | ||||
| 465 | S | 35.7 | Very low | 36.6 | Very low | 103 Ų | 103 | 134 Ų | 134 | 72% | 0.72 | 82% | 0.82 | S | S | * | * | trans | -99.9 | 156.2 | 154.7 | 48.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 466 | L | 37.9 | Very low | 36.4 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | trans | 146.7 | 164.9 | 152.6 | -81.7 | 168.2 | 0 | 0 | 0 | 110.8 | ||||
| 467 | P | 48.6 | Very low | 36 | Very low | 111 Ų | 111 | 137 Ų | 137 | 72% | 0.721 | 82% | 0.822 | S | S | * | * | cis | -137 | 169.5 | -23.8 | 29.4 | -8.6 | 0 | 0 | 0 | 115.2 | ||||
| 468 | H | 29.7 | Very low | 34.9 | Very low | 197 Ų | 197 | 137.3 Ų | 137.3 | 91% | 0.912 | 83% | 0.827 | S | S | * | * | trans | -90.5 | 148.9 | 154.9 | -86.3 | -84.9 | 0 | 0 | 0 | 110.8 | ||||
| 469 | S | 31.4 | Very low | 33.8 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | -158.6 | 155.4 | 151.2 | 57 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 470 | A | 30.3 | Very low | 33 | Very low | 89 Ų | 89 | 136.2 Ų | 136.2 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | trans | -92.8 | 155.2 | -154.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 471 | V | 29.8 | Very low | 32.7 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | 32.4 | 126 | 133.4 | -169.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 472 | S | 29.1 | Very low | 31.9 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -161 | 141.6 | 133.8 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 473 | N | 28 | Very low | 31.6 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -78.7 | 148.9 | -172.9 | -115.7 | 1.6 | 0 | 0 | 0 | 115.2 | ||||
| 474 | A | 31.3 | Very low | 31.4 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | 167.2 | 136.4 | 142.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 475 | G | 26.9 | Very low | 31.3 | Very low | 69 Ų | 69 | 129.1 Ų | 129.1 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | cis | 121.3 | 96.5 | 15.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 476 | S | 31.1 | Very low | 31 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | 132.9 | 112.5 | 145.6 | 68.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 477 | K | 29.9 | Very low | 30.6 | Very low | 199 Ų | 199 | 126.4 Ų | 126.4 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | trans | 50 | 133.4 | 130.5 | -66.1 | -173.4 | 176.8 | 179.9 | 0 | 125.9 | ||||
| 478 | S | 28.9 | Very low | 29.7 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | 76.3 | 143 | 142.1 | 72.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 479 | S | 29.9 | Very low | 29.8 | Very low | 100 Ų | 100 | 121.8 Ų | 121.8 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | cis | -170 | 145.9 | 15.5 | 44.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 480 | V | 31.3 | Very low | 29.8 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | 51 | 132.9 | 130.6 | -170.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 481 | M | 32.4 | Very low | 29.8 | Very low | 156 Ų | 156 | 126.2 Ų | 126.2 | 77% | 0.768 | 81% | 0.814 | S | S | * | * | cis | -163.5 | 154.6 | 33.4 | -154 | 93.6 | 94.1 | 0 | 0 | 111.7 | ||||
| 482 | D | 28.3 | Very low | 29.9 | Very low | 156 Ų | 156 | 129 Ų | 129 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | 44 | 136.9 | 145.2 | -68.5 | -20.2 | 0 | 0 | 0 | 126 | ||||
| 483 | G | 27.5 | Very low | 29.9 | Very low | 83 Ų | 83 | 128.1 Ų | 128.1 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | 158.8 | 110.8 | 155.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 484 | A | 29.5 | Very low | 30 | Very low | 96 Ų | 96 | 126.6 Ų | 126.6 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | -87.2 | 174.1 | -161.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 485 | I | 30.3 | Very low | 29.9 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | 88.7 | 106.1 | 152.1 | -30.9 | -172.1 | 0 | 0 | 0 | 118.9 | ||||
| 486 | A | 29.9 | Very low | 30 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | 154.7 | 114.3 | 105.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 487 | S | 29 | Very low | 29.9 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -81.2 | 140.5 | 169.1 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 488 | G | 28.7 | Very low | 29.8 | Very low | 84 Ų | 84 | 133.5 Ų | 133.5 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | trans | -140.2 | 102.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 489 | V | 32.4 | Very low | 29.8 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | trans | -92.6 | 143.5 | -171.8 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 490 | S | 30.9 | Very low | 29.9 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 76% | 0.755 | 83% | 0.829 | S | S | * | * | trans | -47.5 | 135 | 166.8 | -49.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 491 | K | 31.4 | Very low | 29.7 | Very low | 200 Ų | 200 | 145 Ų | 145 | 87% | 0.87 | 83% | 0.831 | S | S | * | * | trans | -102.7 | 115.2 | 172.4 | -70.4 | 180 | 179 | 176.4 | 0 | 110.1 | ||||
| 492 | F | 30.6 | Very low | 29.5 | Very low | 201 Ų | 201 | 146.9 Ų | 146.9 | 88% | 0.882 | 84% | 0.838 | S | S | * | * | trans | -121.5 | 132.1 | 152.7 | -87.3 | -80.4 | 0 | 0 | 0 | 108.2 | ||||
| 493 | A | 30.6 | Very low | 29.4 | Very low | 101 Ų | 101 | 149.2 Ų | 149.2 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | -85 | 119.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 494 | T | 29.3 | Very low | 29.5 | Very low | 135 Ų | 135 | 154.2 Ų | 154.2 | 83% | 0.828 | 84% | 0.836 | S | S | * | * | trans | -95.7 | 124.8 | 161.2 | 35.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 495 | L | 28.9 | Very low | 29.6 | Very low | 179 Ų | 179 | 157 Ų | 157 | 94% | 0.937 | 83% | 0.832 | S | S | * | * | trans | -93.3 | 111.4 | 168.3 | -72.8 | 172.7 | 0 | 0 | 0 | 108.4 | ||||
| 496 | S | 29 | Very low | 29.5 | Very low | 97 Ų | 97 | 155.3 Ų | 155.3 | 68% | 0.678 | 82% | 0.821 | S | S | * | * | trans | -92.9 | 138.6 | 174.3 | 48.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 497 | L | 28.9 | Very low | 29.6 | Very low | 173 Ų | 173 | 158.1 Ų | 158.1 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | -64.1 | 128.6 | 170.8 | -73.4 | 156.7 | 0 | 0 | 0 | 110 | D499 | L497-D499 PolarHBondContact O-N 2.88Š| ||
| 498 | H | 28.5 | Very low | 29.6 | Very low | 187 Ų | 187 | 158.3 Ų | 158.3 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | -80.9 | 110.2 | 172.9 | -77.7 | 61.2 | 0 | 0 | 0 | 109.4 | ||||
| 499 | D | 29.5 | Very low | 29.9 | Very low | 159 Ų | 159 | 161.6 Ų | 161.6 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 132.3 | 164.9 | -150.7 | -13.7 | 0 | 0 | 0 | 109.6 | L497 | L497-D499 PolarHBondContact O-N 2.88Š|
| 500 | R | 30.6 | Very low | 29.8 | Very low | 243 Ų | 243 | 165.2 Ų | 165.2 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 118.9 | -175.8 | -89.3 | -176.4 | 169.4 | -177.6 | -2.3 | 109.6 | ||
| 501 | K | 27.6 | Very low | 29.8 | Very low | 181 Ų | 181 | 170.9 Ų | 170.9 | 79% | 0.787 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 122.1 | 175 | -179.6 | 177.4 | -176.9 | 174.4 | 0 | 111.6 | ||
| 502 | E | 27.4 | Very low | 29.6 | Very low | 197 Ų | 197 | 167 Ų | 167 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 144.1 | 146.6 | -82.5 | -164.6 | 156.9 | 0 | 0 | 109.9 | ||
| 503 | R | 27.5 | Very low | 29.5 | Very low | 204 Ų | 204 | 165.3 Ų | 165.3 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 144.1 | -169.5 | -55.3 | 176.9 | -157.3 | -166.4 | 4.8 | 110.1 | ||
| 504 | H | 29.8 | Very low | 29.5 | Very low | 188 Ų | 188 | 166.3 Ų | 166.3 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | -160.4 | 144 | 125.1 | -119.1 | -87.8 | 0 | 0 | 0 | 112.7 | |||||
| 505 | H | 30.1 | Very low | 29.9 | Very low | 154 Ų | 154 | 169 Ų | 169 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | -57.4 | 164.7 | 177.5 | -79 | -104.3 | 0 | 0 | 0 | 113.5 | ||||
| 506 | E | 29.8 | Very low | 29.9 | Very low | 132 Ų | 132 | 163.9 Ų | 163.9 | 62% | 0.617 | 79% | 0.79 | S | S | * | * | cis | -171.2 | 160.6 | 12.9 | -130.5 | 180 | 146.8 | 0 | 0 | 109.7 | ||||
| 507 | K | 31.1 | Very low | 30 | Very low | 154 Ų | 154 | 168.1 Ų | 168.1 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | trans | 68.7 | 102.1 | 143.8 | -79.6 | 165.3 | 176.2 | 155.1 | 0 | 122.6 | ||||
| 508 | D | 29 | Very low | 30.2 | Very low | 121 Ų | 121 | 167.8 Ų | 167.8 | 65% | 0.647 | 80% | 0.796 | S | S | * | * | 67.8 | 126 | 107.7 | -75.6 | -32.7 | 0 | 0 | 0 | 123.9 | |||||
| 509 | H | 35.3 | Very low | 30.2 | Very low | 152 Ų | 152 | 164 Ų | 164 | 70% | 0.704 | 79% | 0.791 | S | S | * | * | trans | 78.9 | 108.3 | 135.5 | -63.1 | -6.7 | 0 | 0 | 0 | 119.4 | ||||
| 510 | K | 29.3 | Very low | 30.2 | Very low | 204 Ų | 204 | 162.1 Ų | 162.1 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | 163.6 | 144.2 | 90 | -108.7 | 166 | -175.7 | 176.1 | 0 | 113.1 | |||||
| 511 | R | 30.9 | Very low | 30.2 | Very low | 227 Ų | 227 | 160.8 Ų | 160.8 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | -28.2 | 142.4 | 163.6 | -90.5 | 176.5 | 167.9 | 164.9 | -4.3 | 119.7 | ||||
| 512 | N | 26.9 | Very low | 30.4 | Very low | 117 Ų | 117 | 157.2 Ų | 157.2 | 63% | 0.626 | 79% | 0.789 | S | S | * | * | trans | 103.9 | 114.1 | 130.8 | -75 | 17.2 | 0 | 0 | 0 | 120.7 | ||||
| 513 | H | 30.4 | Very low | 30.8 | Very low | 167 Ų | 167 | 153.3 Ų | 153.3 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | 42.5 | 122.3 | 135.2 | -50.5 | -67.6 | 0 | 0 | 0 | 120.3 | ||||
| 514 | S | 29.3 | Very low | 30.9 | Very low | 122 Ų | 122 | 150.6 Ų | 150.6 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | -177.4 | 158.3 | 96.1 | -154 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 515 | M | 38.4 | Very low | 31.2 | Very low | 190 Ų | 190 | 151.7 Ų | 151.7 | 94% | 0.936 | 79% | 0.786 | S | S | * | * | trans | -65.4 | 143.7 | -175.9 | -64.7 | -150.4 | -66.5 | 0 | 0 | 113.5 | ||||
| 516 | G | 28.4 | Very low | 31.6 | Very low | 72 Ų | 72 | 152 Ų | 152 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | -148.5 | 103.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 517 | H | 30.5 | Very low | 31.9 | Very low | 187 Ų | 187 | 151.3 Ų | 151.3 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | -64.3 | 122.9 | 177.3 | -145.6 | -88.5 | 0 | 0 | 0 | 110.1 | ||||
| 518 | I | 33.4 | Very low | 32.1 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -134.6 | 118 | 155.1 | 50.7 | 165.4 | 0 | 0 | 0 | 110.1 | ||||
| 519 | S | 29 | Very low | 32.9 | Very low | 107 Ų | 107 | 148 Ų | 148 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -75.9 | 126.4 | 169.9 | 53.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 520 | S | 28.6 | Very low | 32.9 | Very low | 120 Ų | 120 | 146 Ų | 146 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -129.6 | 116.2 | 149.8 | 57.5 | 0 | 0 | 0 | 0 | 108.5 | S522 | S520-S522 PolarHBondContact O-N 3.06Š| ||
| 521 | K | 32 | Very low | 33.5 | Very low | 215 Ų | 215 | 144.1 Ų | 144.1 | 94% | 0.935 | 78% | 0.775 | S | S | * | * | trans | -70.7 | 120.5 | 173.3 | -68.6 | 175.9 | 176 | 176.3 | 0 | 107.8 | ||||
| 522 | S | 30.2 | Very low | 34 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | -139.5 | 122.7 | 150.6 | -174.4 | 0 | 0 | 0 | 0 | 108 | S520 D524 | S520-S522 PolarHBondContact O-N 3.06Å; S522-D524 PolarHBondContact O-N 3.49Å | ||
| 523 | S | 36.7 | Very low | 34.9 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -77 | 98.8 | -175.9 | 45.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 524 | D | 30.8 | Very low | 36.1 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | trans | -136.3 | 85.4 | 158 | -80.5 | -43.2 | 0 | 0 | 0 | 108.3 | S522 | S522-D524 PolarHBondContact O-N 3.49Š| ||
| 525 | K | 34.8 | Very low | 37.5 | Very low | 211 Ų | 211 | 134.8 Ų | 134.8 | 92% | 0.917 | 74% | 0.736 | S | S | * | * | trans | -100.3 | 93.8 | 164.7 | -90.2 | -173.5 | 174.6 | -177 | 0 | 107.9 | ||||
| 526 | L | 38.4 | Very low | 38.2 | Very low | 159 Ų | 159 | 129.8 Ų | 129.8 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | trans | -123.2 | 106.4 | 160.1 | -91.6 | 161.6 | 0 | 0 | 0 | 108.7 | L528 | L526-L528 PolarHBondContact O-N 3.26Š| ||
| 527 | N | 36.3 | Very low | 39.6 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 63% | 0.631 | 71% | 0.714 | S | S | * | * | trans | 14.4 | 89.3 | 159.5 | -63.7 | -16.1 | 0 | 0 | 0 | 117.1 | V529 | N527-V529 PolarHBondContact O-N 3.4Š| ||
| 528 | L | 35.4 | Very low | 41.6 | Very low | 132 Ų | 132 | 128.8 Ų | 128.8 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | trans | -69.8 | 111.2 | 156.8 | -166.2 | 72.7 | 0 | 0 | 0 | 107.3 | L526 T530 | L526-L528 PolarHBondContact O-N 3.26Å; L528-T530 PolarHBondContact O-N 2.83Å | ||
| 529 | V | 44.9 | Very low | 43.8 | Very low | 73 Ų | 73 | 121.7 Ų | 121.7 | 44% | 0.442 | 67% | 0.669 | S | S | . | * | trans | -50.4 | 118.9 | 157.3 | 174.7 | 0 | 0 | 0 | 0 | 105.5 | N527 K531 | N527-V529 PolarHBondContact O-N 3.4Å; V529-K531 PolarHBondContact O-N 3.3Å | ||
| 530 | T | 37 | Very low | 46.6 | Very low | 112 Ų | 112 | 121 Ų | 121 | 69% | 0.687 | 66% | 0.657 | S | S | * | * | trans | -52.4 | 112.9 | -177.1 | 28.1 | 0 | 0 | 0 | 0 | 109.1 | L528 T532 | L528-T530 PolarHBondContact O-N 2.83Å; T530-T532 PolarHBondContact O-N 3.06Å | ||
| 531 | K | 40.7 | Very low | 49.3 | Very low | 163 Ų | 163 | 117 Ų | 117 | 71% | 0.709 | 63% | 0.634 | S | S | * | * | trans | -66.5 | 75.4 | 175.4 | -74.2 | -179.7 | 175 | 175.9 | 0 | 109.8 | V529 K533 | V529-K531 PolarHBondContact O-N 3.3Å; K531-K533 PolarHBondContact O-N 3.11Å | ||
| 532 | T | 41.3 | Very low | 52.1 | Low | 97 Ų | 97 | 108.7 Ų | 108.7 | 60% | 0.595 | 60% | 0.602 | S | S | * | * | trans | -89.8 | 93.8 | 161.9 | 49.9 | 0 | 0 | 0 | 0 | 106.5 | T530 T534 | T530-T532 PolarHBondContact O-N 3.06Å; T532-T534 VanDerWaalsContact C-N 3.29Å; T532-T534 PolarHBondContact O-N 2.91Å | ||
| 533 | K | 45.7 | Very low | 54.8 | Low | 192 Ų | 192 | 108.9 Ų | 108.9 | 84% | 0.835 | 60% | 0.6 | S | S | * | * | trans | -58 | 100.9 | 161.8 | -82.1 | -175.4 | 173.8 | -176.5 | 0 | 106.7 | K531 D535 | K531-K533 PolarHBondContact O-N 3.11Å; K533-D535 PolarHBondContact O-N 2.79Å | ||
| 534 | T | 56.6 | Low | 57.3 | Low | 78 Ų | 78 | 106.9 Ų | 106.9 | 48% | 0.479 | 58% | 0.58 | S | S | . | * | trans | -61.8 | 109.4 | 167 | 30.4 | 0 | 0 | 0 | 0 | 106.9 | T532 P536 | T532-T534 VanDerWaalsContact C-N 3.29Å; T532-T534 PolarHBondContact O-N 2.91Å; T534-P536 WeakPolarHBondContact O-CD 3.37Å | ||
| 535 | D | 57.4 | Low | 60.4 | Low | 71 Ų | 71 | 100 Ų | 100 | 38% | 0.38 | 54% | 0.543 | S | S | . | . | trans | -62.5 | 117.7 | 177.6 | 179.9 | -2.5 | 0 | 0 | 0 | 108.7 | K533 A537 K538 | K533-D535 PolarHBondContact O-N 2.79Å; D535-A537 PolarHBondContact O-N 3.06Å; D535-A537 VanDerWaalsContact O-N 3.14Å; D535-A537 WeakPolarHBondContact OD1-CB 3.49Å; D535-A537 PolarHBondContact OD1-N 2.95Å; D535-A537 VanDerWaalsContact OD1-N 3.12Å; D535-K538 HydrophobicContact CB-CB 4.27Å; D535-K538 HydrophobicContact CB-CD 3.89Å; D535-K538 HydrophobicContact CB-CG 3.86Å; D535-K538 WeakPolarHBondContact O-CA 3.34Å; D535-K538 WeakPolarHBondContact O-CB 3.33Å; D535-K538 PolarHBondContact O-N 3.46Å; D535-K538 WeakPolarHBondContact OD2-CE 3.3Å | ||
| 536 | P | 54.5 | Low | 63.3 | Low | 84 Ų | 84 | 90.7 Ų | 90.7 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.4 | -26.5 | -177.6 | 22.3 | -31.9 | 0 | 0 | 0 | 112.6 | T534 K538 T539 | T534-P536 WeakPolarHBondContact O-CD 3.37Å; P536-K538 PolarHBondContact O-N 2.92Å; P536-T539 PolarHBondContact O-N 2.8Å; P536-T539 PolarHBondContact O-OG1 3.15Å; P536-T539 VanDerWaalsContact O-OG1 3.05Å |
| 537 | A | 58.5 | Low | 65.9 | Low | 81 Ų | 81 | 89.1 Ų | 89.1 | 67% | 0.669 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.6 | -19.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D535 | D535-A537 PolarHBondContact O-N 3.06Å; D535-A537 VanDerWaalsContact O-N 3.14Å; D535-A537 WeakPolarHBondContact OD1-CB 3.49Å; D535-A537 PolarHBondContact OD1-N 2.95Å; D535-A537 VanDerWaalsContact OD1-N 3.12Å |
| 538 | K | 70.4 | Confident | 68.6 | Low | 158 Ų | 158 | 87.1 Ų | 87.1 | 69% | 0.687 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -91.2 | -15.3 | 178.4 | -63.3 | -175.8 | -172.7 | 179.1 | 0 | 113.7 | D535 P536 T542 | D535-K538 HydrophobicContact CB-CB 4.27Å; D535-K538 HydrophobicContact CB-CD 3.89Å; D535-K538 HydrophobicContact CB-CG 3.86Å; D535-K538 WeakPolarHBondContact O-CA 3.34Å; D535-K538 WeakPolarHBondContact O-CB 3.33Å; D535-K538 PolarHBondContact O-N 3.46Å; D535-K538 WeakPolarHBondContact OD2-CE 3.3Å; P536-K538 PolarHBondContact O-N 2.92Å; K538-T542 WeakPolarHBondContact O-CG2 3.28Å |
| 539 | T | 79.9 | Confident | 71.3 | Confident | 17 Ų | 17 | 87.8 Ų | 87.8 | 10% | 0.104 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -94 | -25.9 | -178.2 | 51.2 | 0 | 0 | 0 | 0 | 113.3 | K290 P536 G541 T542 | K290-T539 HydrophobicContact CD-CG2 4.08Å; P536-T539 PolarHBondContact O-N 2.8Å; P536-T539 PolarHBondContact O-OG1 3.15Å; P536-T539 VanDerWaalsContact O-OG1 3.05Å; T539-G541 PolarHBondContact O-N 2.74Å; T539-T542 WeakPolarHBondContact O-CB 3.24Å; T539-T542 WeakPolarHBondContact O-CG2 3.39Å; T539-T542 PolarHBondContact O-N 2.94Å; T539-T542 PolarHBondContact O-OG1 2.85Å |
| 540 | L | 87.8 | Confident | 73.6 | Confident | 92 Ų | 92 | 88.9 Ų | 88.9 | 48% | 0.482 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 130.6 | 178.7 | -177.4 | 65.1 | 0 | 0 | 0 | 111.4 | Y292 T542 | Y292-L540 HydrophobicContact CD1-CD1 3.52Å; Y292-L540 HydrophobicContact CE1-CD1 3.49Å; Y292-L540 VanDerWaalsContact CE1-CD1 3.49Å; L540-T542 VanDerWaalsContact C-N 3.32Å |
| 541 | G | 85.6 | Confident | 76.3 | Confident | 35 Ų | 35 | 84.1 Ų | 84.1 | 36% | 0.361 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 13 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T539 C545 | T539-G541 PolarHBondContact O-N 2.74Å; G541-C545 PolarHBondContact N-O 2.8Å |
| 542 | T | 90.2 | Very high | 78.9 | Confident | 42 Ų | 42 | 79 Ų | 79 | 26% | 0.258 | 43% | 0.432 | S | S | . | . | B | Isolated β-bridge | trans | -93.4 | 165.3 | 166.5 | 69.9 | 0 | 0 | 0 | 0 | 110.1 | K538 T539 L540 L544 C545 P546 | K538-T542 WeakPolarHBondContact O-CG2 3.28Å; T539-T542 WeakPolarHBondContact O-CB 3.24Å; T539-T542 WeakPolarHBondContact O-CG2 3.39Å; T539-T542 PolarHBondContact O-N 2.94Å; T539-T542 PolarHBondContact O-OG1 2.85Å; L540-T542 VanDerWaalsContact C-N 3.32Å; T542-L544 PolarHBondContact O-N 2.86Å; T542-L544 VanDerWaalsContact O-N 3.11Å; T542-L544 PolarHBondContact OG1-N 3.29Å; T542-C545 CarbonylContact O-C 3.54Å; T542-C545 PolarHBondContact O-N 3.02Å; T542-C545 PolarHBondContact OG1-N 3.23Å; T542-P546 WeakPolarHBondContact O-CA 3.44Å |
| 543 | P | 87.3 | Confident | 81.5 | Confident | 110 Ų | 110 | 78.9 Ų | 78.9 | 71% | 0.714 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27.5 | 172.4 | -27 | 35.9 | 0 | 0 | 0 | 114.2 | ||
| 544 | L | 90.4 | Very high | 84 | Confident | 72 Ų | 72 | 70.3 Ų | 70.3 | 38% | 0.377 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -28.6 | 177.8 | -64.5 | 176.2 | 0 | 0 | 0 | 113.2 | T288 K290 T542 | T288-L544 WeakPolarHBondContact O-CD2 3.31Å; T288-L544 VanDerWaalsContact OG1-CD2 3.31Å; T288-L544 WeakPolarHBondContact OG1-CD2 3.45Å; K290-L544 PolarHBondContact N-O 3.07Å; T542-L544 PolarHBondContact O-N 2.86Å; T542-L544 VanDerWaalsContact O-N 3.11Å; T542-L544 PolarHBondContact OG1-N 3.29Å |
| 545 | C | 95.3 | Very high | 85.9 | Confident | 2 Ų | 2 | 74.8 Ų | 74.8 | 1% | 0.014 | 41% | 0.407 | C | S | . | . | B | Isolated β-bridge | trans | -147.8 | 77.9 | 176.7 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | K290 S291 Y292 G541 T542 | K290-C545 HydrophobicContact CB-CB 4.22Å; K290-C545 PolarHBondContact O-SG 2.85Å; K290-C545 VanDerWaalsContact O-SG 3.42Å; S291-C545 PolarHBondContact O-SG 3.23Å; S291-C545 VanDerWaalsContact O-SG 3.34Å; Y292-C545 VanDerWaalsContact CD1-SG 3.51Å; G541-C545 PolarHBondContact N-O 2.8Å; T542-C545 CarbonylContact O-C 3.54Å; T542-C545 PolarHBondContact O-N 3.02Å; T542-C545 PolarHBondContact OG1-N 3.23Å |
| 546 | P | 95.1 | Very high | 87.8 | Confident | 17 Ų | 17 | 73 Ų | 73 | 11% | 0.11 | 40% | 0.399 | C | S | . | . | trans | -63.2 | 150.7 | -179.1 | -23.2 | 34.8 | 0 | 0 | 0 | 111.4 | Y292 V327 R330 T542 D550 V551 | Y292-P546 WeakPolarHBondContact CE1-O 3.36Å; Y292-P546 VanDerWaalsContact CZ-O 3.29Å; Y292-P546 PolarHBondContact OH-O 3.48Å; V327-P546 HydrophobicContact CB-CG 4.23Å; V327-P546 HydrophobicContact CG2-CG 4.48Å; R330-P546 PolarHBondContact NH1-O 3.12Å; T542-P546 WeakPolarHBondContact O-CA 3.44Å; P546-D550 HydrophobicContact CB-CB 4.05Å; P546-V551 HydrophobicContact CB-CG1 3.8Å; P546-V551 HydrophobicContact CG-CG1 4.17Å | ||
| 547 | R | 94.3 | Very high | 89.8 | Confident | 125 Ų | 125 | 72.6 Ų | 72.6 | 47% | 0.472 | 39% | 0.392 | S | S | . | . | trans | -66.2 | 165 | 179.8 | -55.7 | -178.5 | 179.7 | 172.9 | 2.8 | 111.2 | Y292 E549 D550 | Y292-R547 PolarHBondContact OH-O 3.47Å; R547-E549 HydrophobicContact CB-CG 4.03Å; R547-E549 VanDerWaalsContact CD-OE1 3.24Å; R547-E549 WeakPolarHBondContact CD-OE1 3.31Å; R547-E549 IonicContact NH1-OE1 3.49Å; R547-E549 PolarHBondContact NH1-OE1 3.26Å; R547-E549 PolarHBondContact O-N 3.16Å; R547-D550 WeakPolarHBondContact CB-OD2 3.31Å; R547-D550 WeakPolarHBondContact CG-OD2 3.49Å; R547-D550 PolarHBondContact N-OD2 3.18Å; R547-D550 WeakPolarHBondContact O-CB 3.39Å; R547-D550 PolarHBondContact O-N 3.25Å | ||
| 548 | M | 92.4 | Very high | 91.6 | Very high | 76 Ų | 76 | 69.3 Ų | 69.3 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -62.5 | -36 | -177.8 | -163.8 | 72.9 | 81.6 | 0 | 0 | 111.3 | Y292 L316 D550 V551 L553 | Y292-M548 HydrophobicContact CD2-CE 3.97Å; Y292-M548 HydrophobicContact CE2-CE 3.49Å; Y292-M548 VanDerWaalsContact CE2-CE 3.49Å; Y292-M548 HydrophobicContact CE2-SD 3.65Å; Y292-M548 WeakPolarHBondContact OH-CA 3.42Å; Y292-M548 PolarHBondContact OH-N 2.83Å; L316-M548 HydrophobicContact CD1-CE 4.22Å; M548-D550 VanDerWaalsContact C-N 3.26Å; M548-D550 PolarHBondContact O-N 3.31Å; M548-V551 VanDerWaalsContact O-O 3.14Å; M548-L553 HydrophobicContact CG-CD1 3.84Å; M548-L553 HydrophobicContact CG-CD2 4.25Å; M548-L553 HydrophobicContact CG-CG 4.27Å; M548-L553 HydrophobicContact SD-CD1 4.11Å; M548-L553 HydrophobicContact SD-CD2 3.42Å; M548-L553 WeakPolarHBondContact SD-CD2 3.24Å; M548-L553 HydrophobicContact SD-CG 4.08Å |
| 549 | E | 92.4 | Very high | 92.9 | Very high | 146 Ų | 146 | 63.6 Ų | 63.6 | 68% | 0.682 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -70.6 | -17.1 | 175.3 | 63.4 | -127.1 | -156.7 | 0 | 0 | 114.4 | R547 | R547-E549 HydrophobicContact CB-CG 4.03Å; R547-E549 VanDerWaalsContact CD-OE1 3.24Å; R547-E549 WeakPolarHBondContact CD-OE1 3.31Å; R547-E549 IonicContact NH1-OE1 3.49Å; R547-E549 PolarHBondContact NH1-OE1 3.26Å; R547-E549 PolarHBondContact O-N 3.16Å |
| 550 | D | 92.6 | Very high | 93.8 | Very high | 96 Ų | 96 | 66.7 Ų | 66.7 | 51% | 0.513 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -91.1 | -13.4 | -174.9 | -59.4 | -35.3 | 0 | 0 | 0 | 113 | P546 R547 M548 | P546-D550 HydrophobicContact CB-CB 4.05Å; R547-D550 WeakPolarHBondContact CB-OD2 3.31Å; R547-D550 WeakPolarHBondContact CG-OD2 3.49Å; R547-D550 PolarHBondContact N-OD2 3.18Å; R547-D550 WeakPolarHBondContact O-CB 3.39Å; R547-D550 PolarHBondContact O-N 3.25Å; M548-D550 VanDerWaalsContact C-N 3.26Å; M548-D550 PolarHBondContact O-N 3.31Å |
| 551 | V | 93.8 | Very high | 94.3 | Very high | 13 Ų | 13 | 64.6 Ų | 64.6 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -128.2 | 141.7 | -177.9 | -66.2 | 0 | 0 | 0 | 0 | 111.3 | V327 R330 P546 M548 L553 | V327-V551 HydrophobicContact CB-CG1 4.34Å; V327-V551 HydrophobicContact CG1-CB 4.49Å; V327-V551 HydrophobicContact CG1-CG1 3.98Å; R330-V551 HydrophobicContact CG-CG2 4.28Å; P546-V551 HydrophobicContact CB-CG1 3.8Å; P546-V551 HydrophobicContact CG-CG1 4.17Å; M548-V551 VanDerWaalsContact O-O 3.14Å; V551-L553 PolarHBondContact O-N 2.95Å |
| 552 | P | 95.6 | Very high | 94.9 | Very high | 54 Ų | 54 | 63.4 Ų | 63.4 | 35% | 0.351 | 33% | 0.327 | S | S | . | . | trans | -51 | 135 | 171 | -28 | 32.7 | 0 | 0 | 0 | 113.1 | I328 A329 R330 I418 | I328-P552 VanDerWaalsContact O-CD 3.31Å; I328-P552 WeakPolarHBondContact O-CD 3.31Å; A329-P552 WeakPolarHBondContact CA-O 3.24Å; A329-P552 HydrophobicContact CB-CB 4.3Å; R330-P552 PolarHBondContact N-O 3.09Å; I418-P552 HydrophobicContact CG2-CB 4.36Å | ||
| 553 | L | 96.1 | Very high | 95.2 | Very high | 96 Ų | 96 | 61.8 Ų | 61.8 | 50% | 0.503 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 115.4 | 172 | -81.8 | 176 | 0 | 0 | 0 | 110.2 | R330 M548 V551 | R330-L553 HydrophobicContact CB-CD2 4.23Å; R330-L553 CarbonylContact O-C 3.5Å; R330-L553 VanDerWaalsContact O-CA 3.24Å; R330-L553 WeakPolarHBondContact O-CA 3.22Å; M548-L553 HydrophobicContact CG-CD1 3.84Å; M548-L553 HydrophobicContact CG-CD2 4.25Å; M548-L553 HydrophobicContact CG-CG 4.27Å; M548-L553 HydrophobicContact SD-CD1 4.11Å; M548-L553 HydrophobicContact SD-CD2 3.42Å; M548-L553 WeakPolarHBondContact SD-CD2 3.24Å; M548-L553 HydrophobicContact SD-CG 4.08Å; V551-L553 PolarHBondContact O-N 2.95Å |
| 554 | L | 97.4 | Very high | 95.6 | Very high | 12 Ų | 12 | 62.8 Ų | 62.8 | 6% | 0.063 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 139.5 | 175.7 | -51.2 | 179.3 | 0 | 0 | 0 | 110.4 | V319 A329 R330 G331 H332 F400 W412 I418 | V319-L554 HydrophobicContact CG2-CD1 4.01Å; A329-L554 HydrophobicContact CB-CD1 3.99Å; A329-L554 HydrophobicContact CB-CD2 3.95Å; A329-L554 HydrophobicContact CB-CG 3.85Å; R330-L554 PolarHBondContact O-N 2.83Å; G331-L554 WeakPolarHBondContact CA-O 3.28Å; H332-L554 PolarHBondContact N-O 3.41Å; F400-L554 HydrophobicContact CE1-CD1 4.4Å; F400-L554 HydrophobicContact CZ-CD1 4.18Å; W412-L554 HydrophobicContact CE3-CB 4.01Å; W412-L554 HydrophobicContact CZ3-CB 4.3Å; I418-L554 HydrophobicContact CD1-CD2 3.4Å; I418-L554 HydrophobicContact CG1-CD2 4.1Å; I418-L554 HydrophobicContact CG2-CD2 4.07Å |
| 555 | E | 96.4 | Very high | 95.8 | Very high | 172 Ų | 172 | 62.8 Ų | 62.8 | 80% | 0.804 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -101 | 141.5 | 164.7 | -64.4 | -172.5 | 168.5 | 0 | 0 | 109.6 | ||
| 556 | P | 97.4 | Very high | 95.8 | Very high | 33 Ų | 33 | 66 Ų | 66 | 21% | 0.214 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 133.9 | 178.3 | 30.1 | -34.9 | 0 | 0 | 0 | 110.5 | H332 C410 L411 W412 I558 C559 | H332-P556 WeakPolarHBondContact O-CD 3.45Å; C410-P556 HydrophobicContact CB-CB 4.05Å; L411-P556 CarbonylContact O-C 3.45Å; L411-P556 WeakPolarHBondContact O-CA 3.19Å; W412-P556 HydrophobicContact CD2-CB 4.29Å; W412-P556 HydrophobicContact CE3-CB 4.01Å; W412-P556 HydrophobicContact CH2-CB 4.01Å; W412-P556 HydrophobicContact CH2-CG 4.3Å; W412-P556 HydrophobicContact CZ2-CB 4.28Å; W412-P556 HydrophobicContact CZ3-CB 3.86Å; W412-P556 HydrophobicContact CZ3-CG 4.24Å; P556-I558 WeakPolarHBondContact CB-O 3.39Å; P556-I558 PolarHBondContact O-N 3.44Å; P556-C559 HydrophobicContact CB-CB 4.33Å; P556-C559 HydrophobicContact CG-CB 3.92Å |
| 557 | L | 96.4 | Very high | 96 | Very high | 76 Ų | 76 | 65.2 Ų | 65.2 | 40% | 0.398 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -57 | -40.9 | 172.8 | 179 | 64.3 | 0 | 0 | 0 | 111.3 | T19 L411 | T19-L557 HydrophobicContact CG2-CD2 3.69Å; T19-L557 HydrophobicContact CG2-CG 4.35Å; L411-L557 WeakPolarHBondContact O-CB 3.18Å; L411-L557 PolarHBondContact O-N 2.73Å |
| 558 | I | 97.7 | Very high | 96.2 | Very high | 11 Ų | 11 | 59.8 Ų | 59.8 | 6% | 0.056 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 144.3 | 169.1 | 65.4 | 98.7 | 0 | 0 | 0 | 108.2 | F17 T19 L409 C410 L411 P556 K560 | F17-I558 HydrophobicContact CD2-CD1 4.27Å; F17-I558 HydrophobicContact CD2-CG1 4.21Å; F17-I558 HydrophobicContact CG-CD1 4.33Å; T19-I558 HydrophobicContact CG2-CG2 4.2Å; L409-I558 HydrophobicContact CD2-CD1 4.26Å; L409-I558 HydrophobicContact CG-CD1 4.09Å; L409-I558 WeakPolarHBondContact O-CD1 3.44Å; C410-I558 WeakPolarHBondContact CA-O 3.44Å; L411-I558 HydrophobicContact CB-CG1 3.85Å; L411-I558 HydrophobicContact CD1-CD1 4.44Å; L411-I558 HydrophobicContact CD1-CG1 3.91Å; L411-I558 HydrophobicContact CG-CD1 4.08Å; L411-I558 HydrophobicContact CG-CG1 3.75Å; L411-I558 PolarHBondContact N-O 3.5Å; L411-I558 VanDerWaalsContact N-O 3.11Å; P556-I558 WeakPolarHBondContact CB-O 3.39Å; P556-I558 PolarHBondContact O-N 3.44Å; I558-K560 HydrophobicContact CB-CG 4.37Å; I558-K560 HydrophobicContact CD1-CB 4.43Å; I558-K560 HydrophobicContact CD1-CG 4.04Å |
| 559 | C | 97.6 | Very high | 96.5 | Very high | 39 Ų | 39 | 56.5 Ų | 56.5 | 26% | 0.264 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 106.8 | 167.2 | -178.7 | 0 | 0 | 0 | 0 | 107.1 | G333 Q408 L409 C410 P556 | G333-C559 PolarHBondContact O-SG 2.93Å; Q408-C559 PolarHBondContact OE1-SG 3.15Å; L409-C559 WeakPolarHBondContact O-CA 3.38Å; C410-C559 PolarHBondContact SG-SG 3.29Å; P556-C559 HydrophobicContact CB-CB 4.33Å; P556-C559 HydrophobicContact CG-CB 3.92Å |
| 560 | K | 98.1 | Very high | 96.8 | Very high | 82 Ų | 82 | 49.9 Ų | 49.9 | 36% | 0.357 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 130.6 | -170 | -60.3 | -64.5 | 176.4 | -167.4 | 0 | 110.9 | K14 F17 Q408 L409 I558 I562 | K14-K560 HydrophobicContact CB-CB 4.43Å; K14-K560 HydrophobicContact CG-CB 4.48Å; K14-K560 HydrophobicContact CG-CD 4.28Å; F17-K560 HydrophobicContact CB-CG 4.25Å; Q408-K560 CarbonylContact C-O 3.55Å; Q408-K560 VanDerWaalsContact CA-O 3.23Å; Q408-K560 WeakPolarHBondContact CA-O 3.48Å; L409-K560 PolarHBondContact N-O 3.45Å; L409-K560 PolarHBondContact O-N 3.2Å; I558-K560 HydrophobicContact CB-CG 4.37Å; I558-K560 HydrophobicContact CD1-CB 4.43Å; I558-K560 HydrophobicContact CD1-CG 4.04Å; K560-I562 HydrophobicContact CB-CG2 4.19Å; K560-I562 PolarHBondContact O-N 3.12Å |
| 561 | K | 97.9 | Very high | 97.1 | Very high | 47 Ų | 47 | 47.3 Ų | 47.3 | 20% | 0.204 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 118.7 | 166.7 | 179.9 | 174.8 | 179.8 | 75.8 | 0 | 109.3 | K14 T407 Q408 A563 | K14-K561 PolarHBondContact N-O 2.87Å; T407-K561 WeakPolarHBondContact O-CA 3.43Å; T407-K561 WeakPolarHBondContact OG1-CG 3.41Å; T407-K561 PolarHBondContact OG1-NZ 2.94Å; Q408-K561 HydrophobicContact CG-CB 4.44Å; K561-A563 PolarHBondContact NZ-O 3.18Å |
| 562 | I | 98.2 | Very high | 97.3 | Very high | 11 Ų | 11 | 47.4 Ų | 47.4 | 6% | 0.056 | 24% | 0.237 | C | C | . | . | trans | -123.6 | -2.3 | -175.1 | 63.2 | 158.5 | 0 | 0 | 0 | 114.3 | I13 T407 L409 K560 L567 T579 W589 | I13-I562 WeakPolarHBondContact CG2-O 3.34Å; T407-I562 PolarHBondContact O-N 3.17Å; L409-I562 HydrophobicContact CB-CD1 3.75Å; L409-I562 HydrophobicContact CB-CG1 4.11Å; L409-I562 HydrophobicContact CB-CG2 4.32Å; L409-I562 HydrophobicContact CD2-CD1 4.39Å; K560-I562 HydrophobicContact CB-CG2 4.19Å; K560-I562 PolarHBondContact O-N 3.12Å; I562-L567 HydrophobicContact CD1-CD1 3.83Å; I562-L567 HydrophobicContact CD1-CD2 4Å; I562-L567 HydrophobicContact CG1-CD1 3.59Å; I562-L567 HydrophobicContact CG1-CD2 4.09Å; I562-L567 HydrophobicContact CG1-CG 4.43Å; I562-T579 HydrophobicContact CD1-CG2 3.77Å; I562-W589 HydrophobicContact CB-CH2 3.87Å; I562-W589 HydrophobicContact CB-CZ2 3.7Å; I562-W589 HydrophobicContact CD1-CZ2 3.95Å; I562-W589 HydrophobicContact CG1-CZ2 4.44Å; I562-W589 HydrophobicContact CG2-CH2 3.52Å; I562-W589 HydrophobicContact CG2-CZ2 3.79Å; I562-W589 HydrophobicContact CG2-CZ3 4.45Å | ||
| 563 | A | 96.9 | Very high | 97.4 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 7% | 0.066 | 23% | 0.228 | C | C | . | . | trans | -144.4 | 162.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T407 K561 E565 L567 C581 | T407-A563 WeakPolarHBondContact CB-O 3.45Å; T407-A563 PolarHBondContact OG1-O 3.38Å; K561-A563 PolarHBondContact NZ-O 3.18Å; A563-E565 WeakPolarHBondContact CB-O 3.48Å; A563-L567 HydrophobicContact CB-CD2 3.73Å; A563-L567 HydrophobicContact CB-CG 4.17Å; A563-C581 HydrophobicContact CB-CB 3.78Å | ||
| 564 | H | 94.8 | Very high | 97.4 | Very high | 131 Ų | 131 | 47.1 Ų | 47.1 | 61% | 0.606 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -81.1 | -38.5 | 172.8 | -72 | -64.9 | 0 | 0 | 0 | 111.4 | I13 | I13-H564 HydrophobicContact CD1-CB 4.34Å; I13-H564 WeakPolarHBondContact CD1-CD2 3.43Å; I13-H564 VanDerWaalsContact CD1-CE1 3.44Å; I13-H564 WeakPolarHBondContact CD1-CE1 3.18Å; I13-H564 WeakPolarHBondContact CD1-NE2 3.42Å |
| 565 | E | 95.5 | Very high | 97.3 | Very high | 71 Ų | 71 | 48.3 Ų | 48.3 | 33% | 0.332 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -110 | 167.2 | 177.9 | -76.1 | -66.4 | 158.8 | 0 | 0 | 112.4 | T407 A563 L567 Q582 E583 | T407-E565 VanDerWaalsContact CG2-C 3.42Å; T407-E565 VanDerWaalsContact CG2-O 3.3Å; T407-E565 WeakPolarHBondContact CG2-O 3.23Å; A563-E565 WeakPolarHBondContact CB-O 3.48Å; E565-L567 PolarHBondContact O-N 2.84Å; E565-Q582 HydrophobicContact CB-CB 4.15Å; E565-E583 HydrophobicContact CB-CG 3.82Å; E565-E583 HydrophobicContact CG-CG 3.46Å; E565-E583 VanDerWaalsContact CG-CG 3.46Å |
| 566 | R | 96.3 | Very high | 97.4 | Very high | 70 Ų | 70 | 40.1 Ų | 40.1 | 26% | 0.264 | 20% | 0.197 | S | C | . | . | trans | -49.9 | 138.3 | 179.2 | 63.5 | 177.6 | -175.8 | -131 | 2 | 112.1 | S45 Q405 T568 C581 Q582 | S45-R566 PolarHBondContact O-NH2 3.38Å; Q405-R566 HydrophobicContact CB-CB 4.22Å; Q405-R566 HydrophobicContact CG-CB 4.34Å; R566-T568 HydrophobicContact CG-CG2 4.46Å; R566-C581 WeakPolarHBondContact O-CA 3.14Å; R566-Q582 HydrophobicContact CG-CB 3.82Å; R566-Q582 HydrophobicContact CG-CG 4.44Å; R566-Q582 VanDerWaalsContact NH2-CD 3.34Å; R566-Q582 PolarHBondContact O-N 2.94Å | ||
| 567 | L | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 140.4 | 176.9 | -69.6 | 163.6 | 0 | 0 | 0 | 110.1 | S339 V403 G404 Q408 I562 A563 E565 A580 C581 | S339-L567 VanDerWaalsContact CB-O 3.26Å; S339-L567 WeakPolarHBondContact CB-O 3.41Å; V403-L567 HydrophobicContact CB-CB 3.63Å; V403-L567 HydrophobicContact CB-CD1 3.7Å; V403-L567 HydrophobicContact CB-CG 4.28Å; V403-L567 HydrophobicContact CG1-CB 4.34Å; V403-L567 HydrophobicContact CG1-CD1 3.76Å; V403-L567 HydrophobicContact CG2-CB 3.86Å; G404-L567 PolarHBondContact O-N 2.81Å; Q408-L567 WeakPolarHBondContact O-CD1 3.48Å; I562-L567 HydrophobicContact CD1-CD1 3.83Å; I562-L567 HydrophobicContact CD1-CD2 4Å; I562-L567 HydrophobicContact CG1-CD1 3.59Å; I562-L567 HydrophobicContact CG1-CD2 4.09Å; I562-L567 HydrophobicContact CG1-CG 4.43Å; A563-L567 HydrophobicContact CB-CD2 3.73Å; A563-L567 HydrophobicContact CB-CG 4.17Å; E565-L567 PolarHBondContact O-N 2.84Å; L567-A580 WeakPolarHBondContact CA-O 3.3Å; L567-C581 HydrophobicContact CD2-CB 4.3Å |
| 568 | T | 98.4 | Very high | 97.6 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | -3.5 | -174.5 | 59.3 | 0 | 0 | 0 | 0 | 113.5 | P47 V48 V340 R566 A580 | P47-T568 HydrophobicContact CB-CG2 4.01Å; V48-T568 VanDerWaalsContact O-CB 3.24Å; V48-T568 WeakPolarHBondContact O-CB 3.49Å; V48-T568 PolarHBondContact O-OG1 3.42Å; V340-T568 VanDerWaalsContact CG2-O 3.31Å; V340-T568 WeakPolarHBondContact CG2-O 3.34Å; R566-T568 HydrophobicContact CG-CG2 4.46Å; T568-A580 PolarHBondContact N-O 2.81Å |
| 569 | V | 98.9 | Very high | 97.6 | Very high | 8 Ų | 8 | 34.5 Ų | 34.5 | 5% | 0.048 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 135.7 | -179.6 | 176.5 | 0 | 0 | 0 | 0 | 109.5 | V50 I571 T579 A580 | V50-V569 HydrophobicContact CB-CG1 3.91Å; V50-V569 HydrophobicContact CB-CG2 4.06Å; V50-V569 HydrophobicContact CG2-CG1 4.19Å; V50-V569 HydrophobicContact CG2-CG2 3.91Å; V569-I571 HydrophobicContact CG1-CD1 3.77Å; V569-I571 HydrophobicContact CG1-CG1 3.87Å; V569-T579 WeakPolarHBondContact O-CA 3.34Å; V569-A580 HydrophobicContact CB-CB 3.74Å; V569-A580 HydrophobicContact CG2-CB 3.83Å; V569-A580 PolarHBondContact N-O 3.37Å; V569-A580 PolarHBondContact O-N 2.99Å |
| 570 | L | 98.9 | Very high | 97.7 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 119.1 | 165.6 | 173.5 | 64.6 | 0 | 0 | 0 | 107.9 | V340 A342 G401 V403 L409 F572 I577 V578 T579 | V340-L570 HydrophobicContact CB-CB 4.3Å; V340-L570 HydrophobicContact CG1-CB 4.01Å; A342-L570 HydrophobicContact CB-CD2 4.29Å; A342-L570 HydrophobicContact CB-CG 4.29Å; G401-L570 WeakPolarHBondContact O-CD2 3.27Å; V403-L570 HydrophobicContact CG1-CB 4.09Å; V403-L570 HydrophobicContact CG1-CD1 4.36Å; V403-L570 HydrophobicContact CG1-CD2 4.3Å; V403-L570 HydrophobicContact CG1-CG 4.49Å; V403-L570 HydrophobicContact CG2-CB 3.88Å; L409-L570 HydrophobicContact CD1-CD1 3.86Å; L409-L570 HydrophobicContact CD1-CD2 4.3Å; L570-F572 HydrophobicContact CD1-CE2 4.25Å; L570-F572 HydrophobicContact CD1-CZ 4.2Å; L570-F572 HydrophobicContact CD2-CE2 4.02Å; L570-F572 HydrophobicContact CD2-CZ 4.34Å; L570-F572 HydrophobicContact CG-CE2 4.05Å; L570-F572 HydrophobicContact CG-CZ 4.45Å; L570-I577 HydrophobicContact CD1-CG2 3.69Å; L570-V578 WeakPolarHBondContact CA-O 3.5Å; L570-T579 HydrophobicContact CD1-CG2 4.14Å |
| 571 | I | 98.9 | Very high | 97.6 | Very high | 42 Ų | 42 | 29.2 Ų | 29.2 | 22% | 0.215 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 131.9 | -179.9 | -59.9 | 171.1 | 0 | 0 | 0 | 108.3 | V50 F52 V569 L573 V578 | V50-I571 HydrophobicContact CB-CD1 4.27Å; V50-I571 HydrophobicContact CG1-CD1 4.01Å; F52-I571 HydrophobicContact CD2-CD1 3.86Å; F52-I571 HydrophobicContact CD2-CG2 4.29Å; F52-I571 HydrophobicContact CE2-CD1 3.78Å; F52-I571 HydrophobicContact CE2-CG2 4.38Å; V569-I571 HydrophobicContact CG1-CD1 3.77Å; V569-I571 HydrophobicContact CG1-CG1 3.87Å; I571-L573 HydrophobicContact CG2-CD2 3.86Å; I571-L573 HydrophobicContact CG2-CG 4.21Å; I571-V578 HydrophobicContact CB-CB 4.33Å; I571-V578 PolarHBondContact N-O 3.21Å; I571-V578 PolarHBondContact O-N 3.5Å |
| 572 | F | 98.6 | Very high | 97.5 | Very high | 15 Ų | 15 | 27.4 Ų | 27.4 | 7% | 0.066 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 120.5 | 174.2 | -68.6 | -80.9 | 0 | 0 | 0 | 109.5 | A342 F343 D344 L411 L570 I577 | A342-F572 HydrophobicContact CB-CD2 3.86Å; A342-F572 HydrophobicContact CB-CE2 3.9Å; A342-F572 VanDerWaalsContact O-CE2 3.25Å; A342-F572 WeakPolarHBondContact O-CE2 3.5Å; F343-F572 VanDerWaalsContact O-CD2 3.27Å; F343-F572 WeakPolarHBondContact O-CD2 3.42Å; D344-F572 HydrophobicContact CB-CB 4.28Å; D344-F572 HydrophobicContact CB-CD1 3.56Å; D344-F572 HydrophobicContact CB-CD2 4Å; D344-F572 HydrophobicContact CB-CE1 3.79Å; D344-F572 HydrophobicContact CB-CE2 4.22Å; D344-F572 HydrophobicContact CB-CG 3.68Å; D344-F572 HydrophobicContact CB-CZ 4.12Å; D344-F572 VanDerWaalsContact CG-CD1 3.41Å; L411-F572 HydrophobicContact CD2-CE1 4.14Å; L411-F572 HydrophobicContact CD2-CZ 3.84Å; L570-F572 HydrophobicContact CD1-CE2 4.25Å; L570-F572 HydrophobicContact CD1-CZ 4.2Å; L570-F572 HydrophobicContact CD2-CE2 4.02Å; L570-F572 HydrophobicContact CD2-CZ 4.34Å; L570-F572 HydrophobicContact CG-CE2 4.05Å; L570-F572 HydrophobicContact CG-CZ 4.45Å; F572-I577 HydrophobicContact CD1-CD1 4.07Å; F572-I577 HydrophobicContact CD1-CG1 3.75Å; F572-I577 HydrophobicContact CD1-CG2 4.29Å; F572-I577 HydrophobicContact CE1-CD1 3.63Å; F572-I577 HydrophobicContact CE1-CG1 3.84Å; F572-I577 HydrophobicContact CE1-CG2 4.18Å |
| 573 | L | 97.3 | Very high | 97.4 | Very high | 33 Ų | 33 | 28.5 Ų | 28.5 | 17% | 0.173 | 14% | 0.137 | C | C | . | . | trans | -113.5 | 169 | 173 | -57.7 | -179.6 | 0 | 0 | 0 | 109.5 | F52 Y78 Y346 I571 D575 C576 V578 R591 | F52-L573 HydrophobicContact CE2-CD1 4.25Å; F52-L573 HydrophobicContact CZ-CD1 4.25Å; Y78-L573 HydrophobicContact CD1-CD1 4.42Å; Y78-L573 HydrophobicContact CE1-CD1 3.6Å; Y346-L573 VanDerWaalsContact CD2-O 3.31Å; Y346-L573 WeakPolarHBondContact CD2-O 3.34Å; Y346-L573 WeakPolarHBondContact CE2-O 3.24Å; I571-L573 HydrophobicContact CG2-CD2 3.86Å; I571-L573 HydrophobicContact CG2-CG 4.21Å; L573-D575 VanDerWaalsContact C-N 3.35Å; L573-D575 PolarHBondContact O-N 3.49Å; L573-C576 CarbonylContact C-O 3.6Å; L573-C576 WeakPolarHBondContact CA-O 3.13Å; L573-C576 WeakPolarHBondContact CB-O 3.42Å; L573-C576 PolarHBondContact N-O 3.39Å; L573-V578 HydrophobicContact CD1-CG2 3.78Å; L573-V578 HydrophobicContact CG-CG2 4.39Å; L573-R591 PolarHBondContact O-NE 3.34Å; L573-R591 PolarHBondContact O-NH2 3.03Å | ||
| 574 | E | 94.9 | Very high | 97.4 | Very high | 110 Ų | 110 | 28.1 Ų | 28.1 | 51% | 0.514 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -64.2 | -38.3 | -174.4 | -163.4 | -148.6 | 133.2 | 0 | 0 | 112.8 | Y346 R591 K594 | Y346-E574 HydrophobicContact CD1-CB 3.93Å; Y346-E574 HydrophobicContact CD1-CG 3.72Å; Y346-E574 VanDerWaalsContact CE1-CA 3.48Å; Y346-E574 HydrophobicContact CE1-CB 3.46Å; Y346-E574 VanDerWaalsContact CE1-CB 3.46Å; Y346-E574 HydrophobicContact CE1-CG 3.56Å; Y346-E574 HydrophobicContact CE2-CB 4.49Å; Y346-E574 VanDerWaalsContact CE2-N 3.32Å; Y346-E574 VanDerWaalsContact CZ-N 3.32Å; E574-R591 VanDerWaalsContact O-CD 3.3Å; E574-R591 WeakPolarHBondContact O-CD 3.44Å; E574-K594 IonicContact OE1-NZ 3.89Å; E574-K594 PolarHBondContact OE1-NZ 3.12Å |
| 575 | D | 95.7 | Very high | 97.6 | Very high | 37 Ų | 37 | 23.6 Ų | 23.6 | 20% | 0.198 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -99.4 | -18.9 | -176.4 | 67.6 | -25 | 0 | 0 | 0 | 113.2 | G80 V81 L573 R591 K594 | G80-D575 WeakPolarHBondContact CA-OD2 3.42Å; V81-D575 HydrophobicContact CG1-CB 4.24Å; V81-D575 PolarHBondContact N-OD2 3.11Å; V81-D575 VanDerWaalsContact N-OD2 3.16Å; L573-D575 VanDerWaalsContact C-N 3.35Å; L573-D575 PolarHBondContact O-N 3.49Å; D575-R591 WeakPolarHBondContact O-CB 3.46Å; D575-R591 PolarHBondContact O-N 3.42Å; D575-K594 HydrophobicContact CB-CB 4.26Å |
| 576 | C | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 168.4 | -171.5 | 62.9 | 0 | 0 | 0 | 0 | 114.4 | Y78 V81 L573 T588 W589 | Y78-C576 PolarHBondContact OH-SG 2.65Å; Y78-C576 VanDerWaalsContact OH-SG 3.39Å; V81-C576 HydrophobicContact CG1-CB 3.91Å; L573-C576 CarbonylContact C-O 3.6Å; L573-C576 WeakPolarHBondContact CA-O 3.13Å; L573-C576 WeakPolarHBondContact CB-O 3.42Å; L573-C576 PolarHBondContact N-O 3.39Å; C576-T588 HydrophobicContact CB-CG2 3.69Å; C576-W589 CarbonylContact C-O 3.57Å; C576-W589 WeakPolarHBondContact CA-O 3.38Å; C576-W589 WeakPolarHBondContact CB-O 3.06Å |
| 577 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 137.5 | 163.2 | -53.6 | 173.8 | 0 | 0 | 0 | 107.2 | F17 Y24 L570 F572 T579 W589 | F17-I577 HydrophobicContact CZ-CD1 4.21Å; Y24-I577 HydrophobicContact CD1-CD1 3.67Å; Y24-I577 HydrophobicContact CD1-CG1 4.27Å; Y24-I577 HydrophobicContact CE1-CD1 3.54Å; Y24-I577 HydrophobicContact CE1-CG1 4.12Å; L570-I577 HydrophobicContact CD1-CG2 3.69Å; F572-I577 HydrophobicContact CD1-CD1 4.07Å; F572-I577 HydrophobicContact CD1-CG1 3.75Å; F572-I577 HydrophobicContact CD1-CG2 4.29Å; F572-I577 HydrophobicContact CE1-CD1 3.63Å; F572-I577 HydrophobicContact CE1-CG1 3.84Å; F572-I577 HydrophobicContact CE1-CG2 4.18Å; I577-T579 HydrophobicContact CG2-CG2 4.32Å; I577-W589 HydrophobicContact CB-CB 4.12Å; I577-W589 PolarHBondContact N-O 3.23Å; I577-W589 WeakPolarHBondContact O-CB 3.41Å; I577-W589 PolarHBondContact O-N 3.46Å |
| 578 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 129.8 | 175 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | F52 Y78 L570 I571 L573 I586 C587 | F52-V578 HydrophobicContact CE2-CB 4.33Å; F52-V578 HydrophobicContact CE2-CG1 4.18Å; F52-V578 HydrophobicContact CE2-CG2 4.19Å; F52-V578 HydrophobicContact CZ-CB 4.45Å; F52-V578 HydrophobicContact CZ-CG1 4.11Å; F52-V578 HydrophobicContact CZ-CG2 4Å; Y78-V578 WeakPolarHBondContact OH-CG2 3.49Å; L570-V578 WeakPolarHBondContact CA-O 3.5Å; I571-V578 HydrophobicContact CB-CB 4.33Å; I571-V578 PolarHBondContact N-O 3.21Å; I571-V578 PolarHBondContact O-N 3.5Å; L573-V578 HydrophobicContact CD1-CG2 3.78Å; L573-V578 HydrophobicContact CG-CG2 4.39Å; V578-I586 HydrophobicContact CG1-CG2 3.64Å; V578-C587 WeakPolarHBondContact CA-O 3.42Å |
| 579 | T | 98.9 | Very high | 97.9 | Very high | 3 Ų | 3 | 17.4 Ų | 17.4 | 2% | 0.018 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 148.5 | 175.2 | 64 | 0 | 0 | 0 | 0 | 110.1 | I562 V569 L570 I577 C587 W589 | I562-T579 HydrophobicContact CD1-CG2 3.77Å; V569-T579 WeakPolarHBondContact O-CA 3.34Å; L570-T579 HydrophobicContact CD1-CG2 4.14Å; I577-T579 HydrophobicContact CG2-CG2 4.32Å; T579-C587 PolarHBondContact N-O 3.43Å; T579-C587 PolarHBondContact O-N 3.5Å; T579-W589 PolarHBondContact OG1-NE1 2.79Å |
| 580 | A | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 150 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V48 V50 L567 T568 V569 F585 I586 | V48-A580 HydrophobicContact CG1-CB 4.39Å; V50-A580 HydrophobicContact CG2-CB 4.34Å; L567-A580 WeakPolarHBondContact CA-O 3.3Å; T568-A580 PolarHBondContact N-O 2.81Å; V569-A580 HydrophobicContact CB-CB 3.74Å; V569-A580 HydrophobicContact CG2-CB 3.83Å; V569-A580 PolarHBondContact N-O 3.37Å; V569-A580 PolarHBondContact O-N 2.99Å; A580-F585 VanDerWaalsContact CA-O 3.23Å; A580-F585 WeakPolarHBondContact CA-O 3.2Å; A580-F585 WeakPolarHBondContact CB-O 3.48Å; A580-I586 HydrophobicContact CB-CG1 4.17Å |
| 581 | C | 96.8 | Very high | 97.8 | Very high | 8 Ų | 8 | 17.3 Ų | 17.3 | 5% | 0.054 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 168.2 | 174.6 | 67.2 | 0 | 0 | 0 | 0 | 111.7 | A563 R566 L567 E583 G584 F585 | A563-C581 HydrophobicContact CB-CB 3.78Å; R566-C581 WeakPolarHBondContact O-CA 3.14Å; L567-C581 HydrophobicContact CD2-CB 4.3Å; C581-E583 PolarHBondContact O-N 2.76Å; C581-E583 VanDerWaalsContact O-N 3.07Å; C581-G584 PolarHBondContact O-N 2.74Å; C581-F585 PolarHBondContact N-O 3.25Å |
| 582 | Q | 96.8 | Very high | 97.7 | Very high | 10 Ų | 10 | 17 Ų | 17 | 5% | 0.047 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -21.6 | 179.3 | -170.4 | 62.2 | 60.8 | 0 | 0 | 114.1 | S45 N46 E565 R566 G584 | S45-Q582 PolarHBondContact OG-NE2 3.16Å; N46-Q582 PolarHBondContact O-NE2 3.42Å; E565-Q582 HydrophobicContact CB-CB 4.15Å; R566-Q582 HydrophobicContact CG-CB 3.82Å; R566-Q582 HydrophobicContact CG-CG 4.44Å; R566-Q582 VanDerWaalsContact NH2-CD 3.34Å; R566-Q582 PolarHBondContact O-N 2.94Å; Q582-G584 PolarHBondContact O-N 2.85Å |
| 583 | E | 95.9 | Very high | 97.3 | Very high | 33 Ų | 33 | 20.2 Ų | 20.2 | 15% | 0.154 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -10.7 | 176.5 | -61.8 | 172.7 | 116.4 | 0 | 0 | 113.3 | P39 F40 E565 C581 F585 | P39-E583 HydrophobicContact CB-CB 4.2Å; P39-E583 HydrophobicContact CB-CG 4.28Å; F40-E583 VanDerWaalsContact CB-O 3.24Å; F40-E583 WeakPolarHBondContact CB-O 3.39Å; F40-E583 PolarHBondContact N-O 3.34Å; E565-E583 HydrophobicContact CB-CG 3.82Å; E565-E583 HydrophobicContact CG-CG 3.46Å; E565-E583 VanDerWaalsContact CG-CG 3.46Å; C581-E583 PolarHBondContact O-N 2.76Å; C581-E583 VanDerWaalsContact O-N 3.07Å; E583-F585 HydrophobicContact CB-CD2 3.74Å; E583-F585 HydrophobicContact CB-CE2 3.86Å |
| 584 | G | 96.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 85.4 | 24.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S33 C581 Q582 | S33-G584 WeakPolarHBondContact CA-O 3.45Å; S33-G584 WeakPolarHBondContact CB-O 3.32Å; C581-G584 PolarHBondContact O-N 2.74Å; Q582-G584 PolarHBondContact O-N 2.85Å |
| 585 | F | 97.9 | Very high | 96.1 | Very high | 35 Ų | 35 | 21.3 Ų | 21.3 | 15% | 0.154 | 13% | 0.132 | C | C | . | . | trans | -93.4 | 124.1 | 167.9 | -61.5 | -70.7 | 0 | 0 | 0 | 109.9 | P39 A580 C581 E583 | P39-F585 HydrophobicContact CB-CE2 4.06Å; P39-F585 HydrophobicContact CB-CZ 4.39Å; P39-F585 HydrophobicContact CG-CE2 3.97Å; P39-F585 HydrophobicContact CG-CZ 3.98Å; A580-F585 VanDerWaalsContact CA-O 3.23Å; A580-F585 WeakPolarHBondContact CA-O 3.2Å; A580-F585 WeakPolarHBondContact CB-O 3.48Å; C581-F585 PolarHBondContact N-O 3.25Å; E583-F585 HydrophobicContact CB-CD2 3.74Å; E583-F585 HydrophobicContact CB-CE2 3.86Å | ||
| 586 | I | 98.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 103.8 | 177 | -57.2 | 84.2 | 0 | 0 | 0 | 106.7 | E31 Y32 V50 F67 V578 A580 | E31-I586 WeakPolarHBondContact CA-O 3.47Å; Y32-I586 PolarHBondContact N-O 3.39Å; Y32-I586 WeakPolarHBondContact O-CB 3.35Å; Y32-I586 VanDerWaalsContact O-CD1 3.24Å; Y32-I586 WeakPolarHBondContact O-CD1 3.5Å; Y32-I586 PolarHBondContact O-N 2.75Å; V50-I586 HydrophobicContact CG2-CG1 3.76Å; V50-I586 HydrophobicContact CG2-CG2 4.22Å; F67-I586 HydrophobicContact CB-CD1 4.22Å; F67-I586 HydrophobicContact CB-CG1 4.41Å; F67-I586 HydrophobicContact CD1-CD1 3.95Å; F67-I586 HydrophobicContact CD2-CD1 3.57Å; F67-I586 HydrophobicContact CE1-CD1 4.17Å; F67-I586 HydrophobicContact CE2-CD1 3.81Å; F67-I586 HydrophobicContact CG-CD1 3.65Å; F67-I586 HydrophobicContact CG-CG1 4.29Å; F67-I586 HydrophobicContact CZ-CD1 4.11Å; V578-I586 HydrophobicContact CG1-CG2 3.64Å; A580-I586 HydrophobicContact CB-CG1 4.17Å |
| 587 | C | 98.6 | Very high | 91.7 | Very high | 22 Ų | 22 | 28.7 Ų | 28.7 | 15% | 0.149 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 137.9 | -173.8 | -65.5 | 0 | 0 | 0 | 0 | 111 | L26 V578 T579 | L26-C587 HydrophobicContact CD1-CB 3.67Å; V578-C587 WeakPolarHBondContact CA-O 3.42Å; T579-C587 PolarHBondContact N-O 3.43Å; T579-C587 PolarHBondContact O-N 3.5Å |
| 588 | T | 98.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 125 | 176.4 | -59.8 | 0 | 0 | 0 | 0 | 109.5 | L27 S30 Y78 C576 | L27-T588 PolarHBondContact N-O 3.3Å; S30-T588 PolarHBondContact O-OG1 2.98Å; S30-T588 VanDerWaalsContact O-OG1 3.06Å; Y78-T588 WeakPolarHBondContact OH-CG2 3.46Å; Y78-T588 PolarHBondContact OH-OG1 3.21Å; Y78-T588 VanDerWaalsContact OH-OG1 3.09Å; C576-T588 HydrophobicContact CB-CG2 3.69Å |
| 589 | W | 98.6 | Very high | 86 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 104.6 | 179.3 | -57.5 | 78.1 | 0 | 0 | 0 | 109.2 | K14 F17 K25 L26 I562 C576 I577 T579 R591 | K14-W589 VanDerWaalsContact O-CH2 3.3Å; K14-W589 WeakPolarHBondContact O-CH2 3.24Å; F17-W589 HydrophobicContact CD1-CE3 4.1Å; F17-W589 AromaticContact CD1-CZ3 3.94Å; F17-W589 HydrophobicContact CD1-CZ3 3.94Å; F17-W589 HydrophobicContact CE1-CD2 4.21Å; F17-W589 AromaticContact CE1-CE3 3.58Å; F17-W589 HydrophobicContact CE1-CE3 3.58Å; F17-W589 AromaticContact CE1-CZ3 3.81Å; F17-W589 HydrophobicContact CE1-CZ3 3.81Å; K25-W589 CarbonylContact O-C 3.55Å; K25-W589 WeakPolarHBondContact O-CA 3.16Å; L26-W589 HydrophobicContact CB-CD2 4.24Å; L26-W589 HydrophobicContact CB-CE3 3.92Å; L26-W589 HydrophobicContact CB-CH2 4.17Å; L26-W589 HydrophobicContact CB-CZ2 4.46Å; L26-W589 HydrophobicContact CB-CZ3 3.9Å; L26-W589 HydrophobicContact CD1-CD2 4.21Å; L26-W589 HydrophobicContact CD1-CZ2 4.08Å; I562-W589 HydrophobicContact CB-CH2 3.87Å; I562-W589 HydrophobicContact CB-CZ2 3.7Å; I562-W589 HydrophobicContact CD1-CZ2 3.95Å; I562-W589 HydrophobicContact CG1-CZ2 4.44Å; I562-W589 HydrophobicContact CG2-CH2 3.52Å; I562-W589 HydrophobicContact CG2-CZ2 3.79Å; I562-W589 HydrophobicContact CG2-CZ3 4.45Å; C576-W589 CarbonylContact C-O 3.57Å; C576-W589 WeakPolarHBondContact CA-O 3.38Å; C576-W589 WeakPolarHBondContact CB-O 3.06Å; I577-W589 HydrophobicContact CB-CB 4.12Å; I577-W589 PolarHBondContact N-O 3.23Å; I577-W589 WeakPolarHBondContact O-CB 3.41Å; I577-W589 PolarHBondContact O-N 3.46Å; T579-W589 PolarHBondContact OG1-NE1 2.79Å; W589-R591 PolarHBondContact O-N 3.03Å |
| 590 | G | 98.1 | Very high | 82.6 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 133.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y24 K25 | Y24-G590 WeakPolarHBondContact CA-O 3.42Å; K25-G590 PolarHBondContact N-O 3.37Å; K25-G590 PolarHBondContact O-N 3.49Å |
| 591 | R | 97.9 | Very high | 79.6 | Confident | 12 Ų | 12 | 51.2 Ų | 51.2 | 5% | 0.045 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 155.9 | 175.7 | -73.4 | 179.9 | -174.9 | -90.2 | 9.9 | 111.6 | Y24 D344 L573 E574 D575 W589 G593 K594 | Y24-R591 HydrophobicContact CD1-CG 4.32Å; Y24-R591 HydrophobicContact CE1-CB 4.35Å; Y24-R591 HydrophobicContact CE1-CG 3.74Å; D344-R591 VanDerWaalsContact CG-NH2 3.31Å; D344-R591 IonicContact OD1-CZ 2.79Å; D344-R591 IonicContact OD1-NH1 3.2Å; D344-R591 IonicContact OD1-NH2 3.22Å; D344-R591 PolarHBondContact OD1-NH2 2.87Å; D344-R591 IonicContact OD2-CZ 2.96Å; D344-R591 IonicContact OD2-NH1 3.71Å; D344-R591 PolarHBondContact OD2-NH1 3.29Å; D344-R591 IonicContact OD2-NH2 2.87Å; D344-R591 PolarHBondContact OD2-NH2 3.41Å; L573-R591 PolarHBondContact O-NE 3.34Å; L573-R591 PolarHBondContact O-NH2 3.03Å; E574-R591 VanDerWaalsContact O-CD 3.3Å; E574-R591 WeakPolarHBondContact O-CD 3.44Å; D575-R591 WeakPolarHBondContact O-CB 3.46Å; D575-R591 PolarHBondContact O-N 3.42Å; W589-R591 PolarHBondContact O-N 3.03Å; R591-G593 PolarHBondContact O-N 3.05Å; R591-K594 HydrophobicContact CB-CB 4.21Å; R591-K594 HydrophobicContact CB-CG 3.99Å; R591-K594 PolarHBondContact O-N 3.33Å; R591-K594 VanDerWaalsContact O-N 3.13Å |
| 592 | P | 96.1 | Very high | 76.6 | Confident | 34 Ų | 34 | 56.1 Ų | 56.1 | 22% | 0.221 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 132.4 | 171.9 | -23.8 | 32.6 | 0 | 0 | 0 | 111.4 | E21 G22 Y24 K594 | E21-P592 HydrophobicContact CB-CG 4.24Å; E21-P592 WeakPolarHBondContact O-CB 3.5Å; G22-P592 VanDerWaalsContact C-CG 3.44Å; Y24-P592 HydrophobicContact CD2-CG 3.8Å; Y24-P592 VanDerWaalsContact CE2-CD 3.42Å; Y24-P592 HydrophobicContact CE2-CG 3.55Å; Y24-P592 HydrophobicContact CG-CG 4.5Å; P592-K594 PolarHBondContact O-N 2.86Å; P592-K594 VanDerWaalsContact O-N 3.11Å |
| 593 | G | 90.6 | Very high | 73.7 | Confident | 84 Ų | 84 | 64.9 Ų | 64.9 | 87% | 0.866 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | -9.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | R591 | R591-G593 PolarHBondContact O-N 3.05Š|
| 594 | K | 89.4 | Confident | 70.8 | Confident | 93 Ų | 93 | 67.6 Ų | 67.6 | 40% | 0.404 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -14.5 | 178.9 | -64 | -74.6 | -172.7 | 168.8 | 0 | 113.2 | E574 D575 R591 P592 G596 | E574-K594 IonicContact OE1-NZ 3.89Å; E574-K594 PolarHBondContact OE1-NZ 3.12Å; D575-K594 HydrophobicContact CB-CB 4.26Å; R591-K594 HydrophobicContact CB-CB 4.21Å; R591-K594 HydrophobicContact CB-CG 3.99Å; R591-K594 PolarHBondContact O-N 3.33Å; R591-K594 VanDerWaalsContact O-N 3.13Å; P592-K594 PolarHBondContact O-N 2.86Å; P592-K594 VanDerWaalsContact O-N 3.11Å; K594-G596 PolarHBondContact O-N 3.14Å |
| 595 | V | 77.8 | Confident | 67.8 | Low | 72 Ų | 72 | 72.6 Ų | 72.6 | 44% | 0.436 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -99.4 | 70.4 | 177.2 | -168.6 | 0 | 0 | 0 | 0 | 109.6 | L27 V81 | L27-V595 HydrophobicContact CD1-CG1 4.46Å; L27-V595 HydrophobicContact CD1-CG2 4.09Å; L27-V595 HydrophobicContact CD2-CG1 3.96Å; L27-V595 HydrophobicContact CD2-CG2 4.39Å; V81-V595 HydrophobicContact CG1-CG2 4.33Å |
| 596 | G | 59.5 | Low | 64.8 | Low | 71 Ų | 71 | 76.3 Ų | 76.3 | 73% | 0.732 | 51% | 0.51 | S | S | * | . | trans | -175 | 15.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | K594 | K594-G596 PolarHBondContact O-N 3.14Š| ||
| 597 | S | 42.6 | Very low | 61.9 | Low | 122 Ų | 122 | 82.6 Ų | 82.6 | 85% | 0.853 | 55% | 0.55 | S | S | * | * | trans | -116 | 30.2 | 171.7 | -176.6 | 0 | 0 | 0 | 0 | 113.2 | S599 | S597-S599 PolarHBondContact O-N 3.06Š| ||
| 598 | L | 43.5 | Very low | 58.6 | Low | 144 Ų | 144 | 85.6 Ų | 85.6 | 75% | 0.754 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -89.9 | 95.2 | 168.1 | -79.5 | 152.5 | 0 | 0 | 0 | 107.9 | ||
| 599 | S | 33.3 | Very low | 55.5 | Low | 103 Ų | 103 | 88.7 Ų | 88.7 | 72% | 0.72 | 62% | 0.617 | S | S | * | * | trans | 2.2 | 114.2 | 166.5 | 58.6 | 0 | 0 | 0 | 0 | 117.6 | S597 | S597-S599 PolarHBondContact O-N 3.06Š| ||
| 600 | S | 28.4 | Very low | 52.5 | Low | 111 Ų | 111 | 95 Ų | 95 | 78% | 0.776 | 66% | 0.655 | S | S | * | * | trans | -61.4 | 128.7 | 143 | 40.4 | 0 | 0 | 0 | 0 | 107.9 | S602 | S600-S602 PolarHBondContact O-N 3.08Š| ||
| 601 | P | 36 | Very low | 49.5 | Very low | 118 Ų | 118 | 101.6 Ų | 101.6 | 77% | 0.766 | 70% | 0.695 | S | S | * | * | trans | -67.1 | 121.4 | 165 | 25.8 | -26 | 0 | 0 | 0 | 106.9 | Q603 | P601-Q603 PolarHBondContact O-N 3.22Š| ||
| 602 | S | 32.6 | Very low | 46.7 | Very low | 112 Ų | 112 | 110.9 Ų | 110.9 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | trans | -54.9 | 98.9 | 170.6 | 52.7 | 0 | 0 | 0 | 0 | 109.8 | S600 A604 | S600-S602 PolarHBondContact O-N 3.08Å; S602-A604 PolarHBondContact O-N 3.38Å | ||
| 603 | Q | 36.1 | Very low | 44.2 | Very low | 194 Ų | 194 | 114.7 Ų | 114.7 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | trans | -71.8 | 87.7 | 156.1 | -94.8 | -172.9 | -13.3 | 0 | 0 | 107.6 | P601 | P601-Q603 PolarHBondContact O-N 3.22Š| ||
| 604 | A | 36.6 | Very low | 41.8 | Very low | 90 Ų | 90 | 116.3 Ų | 116.3 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | -122.7 | 75.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | S602 | S602-A604 PolarHBondContact O-N 3.38Š| ||
| 605 | S | 33.3 | Very low | 39.1 | Very low | 106 Ų | 106 | 117.6 Ų | 117.6 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -107.2 | 95.8 | 161.3 | 58.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 606 | S | 33.7 | Very low | 36.8 | Very low | 113 Ų | 113 | 120.3 Ų | 120.3 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -69 | 131.9 | 163.3 | -58.6 | 0 | 0 | 0 | 0 | 109.1 | G608 | S606-G608 PolarHBondContact O-N 3.45Š| ||
| 607 | P | 37.8 | Very low | 35.4 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | trans | -82.7 | 100.2 | 173.6 | 30.9 | -27.7 | 0 | 0 | 0 | 109 | G609 | P607-G609 PolarHBondContact O-N 3.32Š| ||
| 608 | G | 30.7 | Very low | 35 | Very low | 84 Ų | 84 | 123.5 Ų | 123.5 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | trans | -85.7 | 87.3 | 166 | 0 | 0 | 0 | 0 | 0 | 109.9 | S606 | S606-G608 PolarHBondContact O-N 3.45Š| ||
| 609 | G | 33.3 | Very low | 34.3 | Very low | 65 Ų | 65 | 122 Ų | 122 | 67% | 0.67 | 82% | 0.824 | S | S | * | * | trans | -88.3 | 137.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | P607 | P607-G609 PolarHBondContact O-N 3.32Š| ||
| 610 | T | 35.8 | Very low | 34.4 | Very low | 134 Ų | 134 | 123.5 Ų | 123.5 | 82% | 0.822 | 83% | 0.832 | S | S | * | * | 173.4 | 120.4 | 129.7 | -63.6 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 611 | V | 34.9 | Very low | 34.9 | Very low | 140 Ų | 140 | 124.5 Ų | 124.5 | 85% | 0.848 | 84% | 0.837 | S | S | * | * | trans | -145 | 120.4 | 149.4 | -167.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 612 | V | 38.4 | Very low | 34.8 | Very low | 206 Ų | 206 | 125.1 Ų | 125.1 | 100% | 1.248 | 84% | 0.843 | S | S | * | * | trans | 68.4 | 0 | 178.2 | -142.8 | 0 | 0 | 0 | 0 | 118.5 |
Retrieved 612 of 612 residues in 981.2 ms
(Link to these results)