| 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 | 46.8 | Very low | 74.8 | Confident | 238 Ų | 238 | 124.9 Ų | 124.9 | 100% | 1.172 | 63% | 0.627 | S | S | * | * | 0 | 116.9 | 0 | -72.5 | -160.5 | -91.7 | 0 | 0 | 108.1 | K3 | M1-K3 PolarHBondContact O-N 3.39Š| |||
| 2 | S | 59.1 | Low | 76.4 | Confident | 119 Ų | 119 | 118.6 Ų | 118.6 | 83% | 0.832 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 130.6 | 172 | 49.7 | 0 | 0 | 0 | 0 | 108.6 | A4 | S2-A4 PolarHBondContact O-N 3.05Å; S2-A4 VanDerWaalsContact O-N 3.17Å |
| 3 | K | 60.8 | Low | 77.8 | Confident | 201 Ų | 201 | 114.2 Ų | 114.2 | 87% | 0.874 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 126.5 | 170.5 | -77.5 | -178.5 | 177.5 | 179 | 0 | 107.1 | M1 H5 | M1-K3 PolarHBondContact O-N 3.39Å; K3-H5 PolarHBondContact O-N 3.17Å |
| 4 | A | 64.6 | Low | 79.1 | Confident | 71 Ų | 71 | 113.5 Ų | 113.5 | 59% | 0.587 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 118.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | S2 Q6 | S2-A4 PolarHBondContact O-N 3.05Å; S2-A4 VanDerWaalsContact O-N 3.17Å; A4-Q6 PolarHBondContact O-N 3.37Å |
| 5 | H | 71.9 | Confident | 80.3 | Confident | 149 Ų | 149 | 110.9 Ų | 110.9 | 69% | 0.69 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 118.2 | 176.2 | -178.7 | 78.9 | 0 | 0 | 0 | 107 | K3 | K3-H5 PolarHBondContact O-N 3.17Š|
| 6 | Q | 76.3 | Confident | 81.3 | Confident | 147 Ų | 147 | 108.4 Ų | 108.4 | 69% | 0.687 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 132.2 | -179.3 | -75.3 | -172.9 | -17.4 | 0 | 0 | 109 | A4 E8 | A4-Q6 PolarHBondContact O-N 3.37Å; Q6-E8 PolarHBondContact O-N 3.18Å |
| 7 | P | 80.4 | Confident | 82.2 | Confident | 22 Ų | 22 | 102.1 Ų | 102.1 | 14% | 0.143 | 50% | 0.504 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 133.4 | 176.2 | -24 | 33.4 | 0 | 0 | 0 | 111.2 | L9 F34 M38 | P7-L9 HydrophobicContact CB-CD1 4.12Å; P7-L9 HydrophobicContact CB-CG 4Å; P7-L9 PolarHBondContact O-N 3.18Å; P7-F34 HydrophobicContact CB-CD2 4.41Å; P7-F34 HydrophobicContact CB-CE2 4.5Å; P7-F34 WeakPolarHBondContact O-CE2 3.29Å; P7-M38 HydrophobicContact CB-CG 3.95Å; P7-M38 HydrophobicContact CG-CB 4.47Å; P7-M38 HydrophobicContact CG-CG 3.35Å; P7-M38 HydrophobicContact CG-SD 4.39Å |
| 8 | E | 87.1 | Confident | 83.1 | Confident | 136 Ų | 136 | 101.8 Ų | 101.8 | 64% | 0.636 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -78.1 | 48.4 | 175.9 | -64.2 | -169.3 | 173.2 | 0 | 0 | 112.3 | Q6 | Q6-E8 PolarHBondContact O-N 3.18Š|
| 9 | L | 91 | Very high | 83.8 | Confident | 16 Ų | 16 | 96.5 Ų | 96.5 | 8% | 0.084 | 47% | 0.47 | C | S | . | . | trans | -87.8 | -7.5 | -179.7 | -67.7 | 178.2 | 0 | 0 | 0 | 113.3 | P7 K11 Y12 L31 F34 I40 V70 | P7-L9 HydrophobicContact CB-CD1 4.12Å; P7-L9 HydrophobicContact CB-CG 4Å; P7-L9 PolarHBondContact O-N 3.18Å; L9-K11 PolarHBondContact O-N 2.86Å; L9-Y12 HydrophobicContact CD2-CD2 4.09Å; L9-Y12 WeakPolarHBondContact O-CA 3.38Å; L9-Y12 WeakPolarHBondContact O-CB 3.49Å; L9-Y12 PolarHBondContact O-N 2.87Å; L9-L31 HydrophobicContact CB-CD2 4.14Å; L9-F34 HydrophobicContact CB-CD1 3.78Å; L9-F34 HydrophobicContact CB-CD2 4.06Å; L9-F34 HydrophobicContact CB-CE1 3.85Å; L9-F34 HydrophobicContact CB-CE2 4.11Å; L9-F34 HydrophobicContact CB-CG 3.9Å; L9-F34 HydrophobicContact CB-CZ 4.02Å; L9-F34 HydrophobicContact CD1-CB 4.1Å; L9-F34 HydrophobicContact CD1-CD2 4.35Å; L9-F34 HydrophobicContact CD1-CG 4.15Å; L9-I40 HydrophobicContact CD1-CD1 3.92Å; L9-I40 HydrophobicContact CD1-CG1 4.23Å; L9-V70 HydrophobicContact CD2-CG1 4.21Å | ||
| 10 | K | 92.3 | Very high | 84.5 | Confident | 165 Ų | 165 | 95.3 Ų | 95.3 | 72% | 0.717 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -56.1 | -36.9 | -177.5 | -168.8 | 176.8 | -179.2 | -179.9 | 0 | 113 | Y12 L13 F34 | K10-Y12 PolarHBondContact O-N 3.21Å; K10-L13 HydrophobicContact CG-CD1 4.02Å; K10-L13 WeakPolarHBondContact O-CG 3.45Å; K10-L13 PolarHBondContact O-N 2.9Å; K10-F34 HydrophobicContact CB-CE1 4.48Å; K10-F34 HydrophobicContact CB-CZ 4.23Å |
| 11 | K | 92.1 | Very high | 85.1 | Confident | 110 Ų | 110 | 91.2 Ų | 91.2 | 48% | 0.478 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -69.1 | -14 | 177.7 | 68.2 | -175.2 | 178.9 | -171.5 | 0 | 114.1 | L9 I76 | L9-K11 PolarHBondContact O-N 2.86Å; K11-I76 HydrophobicContact CD-CD1 4.2Å; K11-I76 HydrophobicContact CG-CD1 4.34Å |
| 12 | Y | 94.4 | Very high | 87.5 | Confident | 49 Ų | 49 | 82.9 Ų | 82.9 | 19% | 0.192 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -101.3 | 1.2 | 178.8 | -61.4 | -85.1 | 0 | 0 | 0 | 113 | L9 K10 D14 K15 L17 L31 I76 | L9-Y12 HydrophobicContact CD2-CD2 4.09Å; L9-Y12 WeakPolarHBondContact O-CA 3.38Å; L9-Y12 WeakPolarHBondContact O-CB 3.49Å; L9-Y12 PolarHBondContact O-N 2.87Å; K10-Y12 PolarHBondContact O-N 3.21Å; Y12-D14 PolarHBondContact O-N 3.47Å; Y12-K15 VanDerWaalsContact O-CB 3.27Å; Y12-K15 WeakPolarHBondContact O-CB 3.47Å; Y12-K15 PolarHBondContact O-N 3.3Å; Y12-L17 HydrophobicContact CD1-CD2 3.66Å; Y12-L17 HydrophobicContact CE1-CD2 4.43Å; Y12-L17 HydrophobicContact CG-CD2 3.99Å; Y12-L31 WeakPolarHBondContact O-CB 3.5Å; Y12-I76 HydrophobicContact CD1-CD1 3.9Å; Y12-I76 HydrophobicContact CD1-CG1 4.38Å; Y12-I76 HydrophobicContact CE1-CD1 3.23Å; Y12-I76 HydrophobicContact CE1-CG1 4.03Å; Y12-I76 HydrophobicContact CE2-CD1 4.33Å; Y12-I76 VanDerWaalsContact CZ-CD1 3.47Å |
| 13 | L | 95 | Very high | 89.3 | Confident | 62 Ų | 62 | 81 Ų | 81 | 33% | 0.325 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 137.3 | 174.9 | -73.4 | 169.7 | 0 | 0 | 0 | 110 | K10 K15 L31 F34 | K10-L13 HydrophobicContact CG-CD1 4.02Å; K10-L13 WeakPolarHBondContact O-CG 3.45Å; K10-L13 PolarHBondContact O-N 2.9Å; L13-K15 PolarHBondContact O-N 3.28Å; L13-K15 VanDerWaalsContact O-N 3.1Å; L13-L31 HydrophobicContact CD2-CD2 4.18Å; L13-L31 HydrophobicContact CD2-CG 4.17Å; L13-F34 HydrophobicContact CD2-CD1 4.29Å; L13-F34 HydrophobicContact CD2-CE1 4.27Å; L13-F34 HydrophobicContact CG-CE1 4.39Å |
| 14 | D | 96 | Very high | 90.9 | Very high | 104 Ų | 104 | 78.3 Ų | 78.3 | 56% | 0.556 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 15.4 | -174.3 | -58.2 | -55.9 | 0 | 0 | 0 | 114.8 | Y12 L31 R32 | Y12-D14 PolarHBondContact O-N 3.47Å; D14-L31 PolarHBondContact N-O 2.74Å; D14-R32 IonicContact OD1-CZ 3.96Å; D14-R32 IonicContact OD1-NH1 3.39Å; D14-R32 PolarHBondContact OD1-NH1 3.1Å |
| 15 | K | 96.6 | Very high | 92.4 | Very high | 74 Ų | 74 | 80.5 Ų | 80.5 | 32% | 0.322 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -101.8 | 152.3 | 171.8 | -56.1 | -62.2 | -176.1 | 167.3 | 0 | 111 | Y12 L13 L17 V30 L31 D74 | Y12-K15 VanDerWaalsContact O-CB 3.27Å; Y12-K15 WeakPolarHBondContact O-CB 3.47Å; Y12-K15 PolarHBondContact O-N 3.3Å; L13-K15 PolarHBondContact O-N 3.28Å; L13-K15 VanDerWaalsContact O-N 3.1Å; K15-L17 PolarHBondContact O-N 3.32Å; K15-V30 WeakPolarHBondContact O-CA 3.18Å; K15-L31 PolarHBondContact O-N 3.21Å; K15-D74 HydrophobicContact CD-CB 4.49Å |
| 16 | R | 96.7 | Very high | 93.6 | Very high | 72 Ų | 72 | 75 Ų | 75 | 27% | 0.272 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 125.6 | 173.5 | -171.1 | 172.3 | -65.8 | -79.1 | -1.5 | 110.2 | V28 G29 V73 D74 | R16-V28 HydrophobicContact CG-CG1 3.73Å; R16-G29 WeakPolarHBondContact CA-O 3.5Å; R16-V73 HydrophobicContact CB-CB 4.13Å; R16-V73 HydrophobicContact CG-CB 4.04Å; R16-V73 HydrophobicContact CG-CG1 4.48Å; R16-V73 HydrophobicContact CG-CG2 4.07Å; R16-V73 PolarHBondContact O-N 2.82Å; R16-D74 WeakPolarHBondContact CB-OD2 3.45Å; R16-D74 PolarHBondContact N-OD2 3.4Å |
| 17 | L | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 144.3 | 175 | -65.1 | -174.8 | 0 | 0 | 0 | 110.5 | Y12 K15 L19 V28 G29 L31 V70 E71 | Y12-L17 HydrophobicContact CD1-CD2 3.66Å; Y12-L17 HydrophobicContact CE1-CD2 4.43Å; Y12-L17 HydrophobicContact CG-CD2 3.99Å; K15-L17 PolarHBondContact O-N 3.32Å; L17-L19 HydrophobicContact CB-CD2 4.17Å; L17-L19 HydrophobicContact CD1-CD2 4.44Å; L17-V28 CarbonylContact O-C 3.6Å; L17-V28 VanDerWaalsContact O-CA 3.28Å; L17-V28 WeakPolarHBondContact O-CA 3.48Å; L17-V28 WeakPolarHBondContact O-CG1 3.02Å; L17-G29 PolarHBondContact N-O 3.46Å; L17-G29 PolarHBondContact O-N 2.92Å; L17-L31 HydrophobicContact CD1-CB 3.7Å; L17-L31 HydrophobicContact CD1-CD1 4.16Å; L17-L31 HydrophobicContact CD1-CD2 3.98Å; L17-L31 HydrophobicContact CD1-CG 4.14Å; L17-L31 HydrophobicContact CG-CB 4.14Å; L17-V70 HydrophobicContact CD1-CG1 3.8Å; L17-V70 HydrophobicContact CD2-CG1 4.13Å; L17-V70 HydrophobicContact CG-CG1 4.42Å; L17-E71 CarbonylContact C-O 3.56Å; L17-E71 WeakPolarHBondContact CA-O 3.32Å |
| 18 | R | 97.2 | Very high | 95.4 | Very high | 98 Ų | 98 | 67.7 Ų | 67.7 | 37% | 0.37 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 120.2 | 164.3 | 167.2 | 179.2 | -80.1 | 170.5 | -7.5 | 108.3 | E26 V28 E71 V73 | R18-E26 VanDerWaalsContact CD-OE1 3.31Å; R18-E26 WeakPolarHBondContact CD-OE1 3.41Å; R18-E26 HydrophobicContact CG-CG 4.04Å; R18-E26 IonicContact CZ-OE1 2.74Å; R18-E26 VanDerWaalsContact CZ-OE1 3.3Å; R18-E26 IonicContact NE-OE1 3.72Å; R18-E26 PolarHBondContact NE-OE1 3.41Å; R18-E26 IonicContact NH2-OE1 3.81Å; R18-E26 PolarHBondContact NH2-OE1 3.25Å; R18-V28 HydrophobicContact CB-CG2 4.09Å; R18-V28 HydrophobicContact CG-CG2 4.23Å; R18-E71 HydrophobicContact CB-CB 4.18Å; R18-E71 VanDerWaalsContact CD-OE2 3.3Å; R18-E71 WeakPolarHBondContact CD-OE2 2.94Å; R18-E71 PolarHBondContact N-O 2.61Å; R18-E71 PolarHBondContact O-N 2.9Å; R18-V73 HydrophobicContact CB-CG2 3.93Å |
| 19 | L | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 112.6 | -178.7 | -52.5 | 179.3 | 0 | 0 | 0 | 108.8 | L17 L21 E26 V27 I40 V42 V62 V70 | L17-L19 HydrophobicContact CB-CD2 4.17Å; L17-L19 HydrophobicContact CD1-CD2 4.44Å; L19-L21 HydrophobicContact CB-CD2 4.03Å; L19-E26 WeakPolarHBondContact O-CA 3.48Å; L19-V27 WeakPolarHBondContact CA-O 3.42Å; L19-V27 WeakPolarHBondContact CB-O 3.27Å; L19-V27 PolarHBondContact N-O 2.81Å; L19-V27 PolarHBondContact O-N 3.16Å; L19-I40 HydrophobicContact CD1-CG2 4.11Å; L19-I40 HydrophobicContact CD2-CD1 3.96Å; L19-V42 HydrophobicContact CD1-CG1 4.03Å; L19-V62 HydrophobicContact CD1-CB 4.42Å; L19-V62 HydrophobicContact CD1-CG2 3.98Å; L19-V70 HydrophobicContact CD2-CB 4.35Å; L19-V70 HydrophobicContact CD2-CG1 3.96Å; L19-V70 HydrophobicContact CD2-CG2 3.95Å |
| 20 | K | 97.4 | Very high | 96.3 | Very high | 72 Ų | 72 | 61.2 Ų | 61.2 | 31% | 0.313 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 121.9 | 170 | -69.8 | 173.8 | 174.6 | 160.5 | 0 | 108.7 | N68 I69 E71 | K20-N68 WeakPolarHBondContact O-CB 3.37Å; K20-N68 PolarHBondContact O-N 2.83Å; K20-I69 HydrophobicContact CB-CB 4.09Å; K20-I69 HydrophobicContact CD-CB 4.2Å; K20-I69 HydrophobicContact CD-CD1 4Å; K20-I69 HydrophobicContact CD-CG1 4.44Å; K20-I69 PolarHBondContact N-O 2.91Å; K20-I69 PolarHBondContact O-N 2.88Å; K20-E71 WeakPolarHBondContact CE-OE1 3.4Å; K20-E71 IonicContact NZ-OE1 2.65Å; K20-E71 PolarHBondContact NZ-OE1 2.92Å; K20-E71 IonicContact NZ-OE2 2.61Å |
| 21 | L | 97.7 | Very high | 96.5 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 171.6 | -173.1 | -49.6 | -178.5 | 0 | 0 | 0 | 111.6 | L19 R25 V27 V62 S66 I67 N68 | L19-L21 HydrophobicContact CB-CD2 4.03Å; L21-R25 HydrophobicContact CB-CB 4.19Å; L21-R25 PolarHBondContact N-O 2.93Å; L21-V27 HydrophobicContact CD1-CB 4.46Å; L21-V27 HydrophobicContact CD1-CG2 3.79Å; L21-V62 HydrophobicContact CD1-CG1 4.37Å; L21-V62 HydrophobicContact CD2-CG1 3.61Å; L21-S66 CarbonylContact C-O 3.55Å; L21-S66 WeakPolarHBondContact CA-O 3.23Å; L21-I67 HydrophobicContact CD2-CB 4.46Å; L21-I67 HydrophobicContact CD2-CG1 3.94Å; L21-N68 VanDerWaalsContact C-ND2 3.3Å; L21-N68 PolarHBondContact O-ND2 3.06Å |
| 22 | N | 97.2 | Very high | 96.8 | Very high | 62 Ų | 62 | 54 Ų | 54 | 33% | 0.332 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 147.6 | 169.7 | -70.7 | -18.3 | 0 | 0 | 0 | 112.3 | R25 N65 S66 N68 | N22-R25 PolarHBondContact O-NE 3.4Å; N22-R25 VanDerWaalsContact O-NE 3.15Å; N22-N65 PolarHBondContact ND2-O 2.9Å; N22-S66 PolarHBondContact N-O 2.93Å; N22-N68 PolarHBondContact N-ND2 3.25Å; N22-N68 PolarHBondContact OD1-ND2 2.92Å; N22-N68 VanDerWaalsContact OD1-ND2 3.14Å; N22-N68 PolarHBondContact OD1-OD1 3.15Å |
| 23 | A | 96 | Very high | 96.9 | Very high | 79 Ų | 79 | 52.6 Ų | 52.6 | 65% | 0.653 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 33.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R25 | A23-R25 PolarHBondContact O-N 2.75Š|
| 24 | N | 94.1 | Very high | 97 | Very high | 145 Ų | 145 | 52.8 Ų | 52.8 | 78% | 0.775 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 36.3 | 178.6 | -59.8 | -31.1 | 0 | 0 | 0 | 113 | ||
| 25 | R | 96.8 | Very high | 96.9 | Very high | 117 Ų | 117 | 50.7 Ų | 50.7 | 44% | 0.442 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 148.6 | 171.8 | -67 | -179.6 | -63.6 | 151.7 | 0.7 | 109.1 | L21 N22 A23 | L21-R25 HydrophobicContact CB-CB 4.19Å; L21-R25 PolarHBondContact N-O 2.93Å; N22-R25 PolarHBondContact O-NE 3.4Å; N22-R25 VanDerWaalsContact O-NE 3.15Å; A23-R25 PolarHBondContact O-N 2.75Å |
| 26 | E | 97.4 | Very high | 96.7 | Very high | 35 Ų | 35 | 49.4 Ų | 49.4 | 16% | 0.164 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 132.7 | 179.9 | -178.5 | 177.5 | 139.4 | 0 | 0 | 109.6 | R18 L19 V28 E47 V48 | R18-E26 VanDerWaalsContact CD-OE1 3.31Å; R18-E26 WeakPolarHBondContact CD-OE1 3.41Å; R18-E26 HydrophobicContact CG-CG 4.04Å; R18-E26 IonicContact CZ-OE1 2.74Å; R18-E26 VanDerWaalsContact CZ-OE1 3.3Å; R18-E26 IonicContact NE-OE1 3.72Å; R18-E26 PolarHBondContact NE-OE1 3.41Å; R18-E26 IonicContact NH2-OE1 3.81Å; R18-E26 PolarHBondContact NH2-OE1 3.25Å; L19-E26 WeakPolarHBondContact O-CA 3.48Å; E26-V28 HydrophobicContact CG-CG2 4.5Å; E26-E47 WeakPolarHBondContact O-CA 3.34Å; E26-V48 HydrophobicContact CB-CB 4.1Å; E26-V48 HydrophobicContact CG-CB 4.17Å; E26-V48 HydrophobicContact CG-CG2 4.31Å; E26-V48 PolarHBondContact O-N 3.18Å |
| 27 | V | 97.8 | Very high | 96.4 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 131.3 | 174.9 | 174.5 | 0 | 0 | 0 | 0 | 108.3 | L19 L21 V42 A45 Y46 I57 | L19-V27 WeakPolarHBondContact CA-O 3.42Å; L19-V27 WeakPolarHBondContact CB-O 3.27Å; L19-V27 PolarHBondContact N-O 2.81Å; L19-V27 PolarHBondContact O-N 3.16Å; L21-V27 HydrophobicContact CD1-CB 4.46Å; L21-V27 HydrophobicContact CD1-CG2 3.79Å; V27-V42 HydrophobicContact CG1-CG2 4.42Å; V27-A45 HydrophobicContact CG1-CB 4.26Å; V27-Y46 WeakPolarHBondContact CA-O 3.45Å; V27-I57 HydrophobicContact CG2-CD1 4.46Å |
| 28 | V | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.5 | 174.5 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | R16 L17 R18 E26 A45 Y46 V48 V73 | R16-V28 HydrophobicContact CG-CG1 3.73Å; L17-V28 CarbonylContact O-C 3.6Å; L17-V28 VanDerWaalsContact O-CA 3.28Å; L17-V28 WeakPolarHBondContact O-CA 3.48Å; L17-V28 WeakPolarHBondContact O-CG1 3.02Å; R18-V28 HydrophobicContact CB-CG2 4.09Å; R18-V28 HydrophobicContact CG-CG2 4.23Å; E26-V28 HydrophobicContact CG-CG2 4.5Å; V28-A45 CarbonylContact O-C 3.55Å; V28-A45 VanDerWaalsContact O-CA 3.23Å; V28-A45 WeakPolarHBondContact O-CA 3.41Å; V28-Y46 HydrophobicContact CB-CD1 4.42Å; V28-Y46 HydrophobicContact CB-CD2 4.24Å; V28-Y46 HydrophobicContact CB-CE1 3.87Å; V28-Y46 HydrophobicContact CB-CE2 3.64Å; V28-Y46 VanDerWaalsContact CB-CZ 3.45Å; V28-Y46 HydrophobicContact CG1-CE1 3.91Å; V28-Y46 HydrophobicContact CG1-CE2 4.32Å; V28-Y46 WeakPolarHBondContact CG1-OH 3.23Å; V28-Y46 HydrophobicContact CG2-CE2 3.9Å; V28-Y46 PolarHBondContact N-O 2.82Å; V28-Y46 PolarHBondContact O-N 2.98Å; V28-V48 HydrophobicContact CG2-CG2 3.99Å; V28-V73 HydrophobicContact CG1-CG2 4.44Å |
| 29 | G | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.4 | 173.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R16 L17 S43 | R16-G29 WeakPolarHBondContact CA-O 3.5Å; L17-G29 PolarHBondContact N-O 3.46Å; L17-G29 PolarHBondContact O-N 2.92Å; G29-S43 CarbonylContact C-O 3.44Å; G29-S43 WeakPolarHBondContact CA-O 3.47Å |
| 30 | V | 97.7 | Very high | 96.2 | Very high | 17 Ų | 17 | 55.1 Ų | 55.1 | 10% | 0.103 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 125.3 | 178.6 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | K15 R32 V42 S43 | K15-V30 WeakPolarHBondContact O-CA 3.18Å; V30-R32 PolarHBondContact O-N 2.87Å; V30-V42 CarbonylContact O-C 3.59Å; V30-V42 VanDerWaalsContact O-CA 3.23Å; V30-V42 WeakPolarHBondContact O-CA 3.4Å; V30-S43 PolarHBondContact N-O 2.96Å; V30-S43 PolarHBondContact O-N 3.01Å |
| 31 | L | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 119.8 | 178.9 | 179.7 | 65 | 0 | 0 | 0 | 110.7 | L9 Y12 L13 D14 K15 L17 G33 F34 I40 | L9-L31 HydrophobicContact CB-CD2 4.14Å; Y12-L31 WeakPolarHBondContact O-CB 3.5Å; L13-L31 HydrophobicContact CD2-CD2 4.18Å; L13-L31 HydrophobicContact CD2-CG 4.17Å; D14-L31 PolarHBondContact N-O 2.74Å; K15-L31 PolarHBondContact O-N 3.21Å; L17-L31 HydrophobicContact CD1-CB 3.7Å; L17-L31 HydrophobicContact CD1-CD1 4.16Å; L17-L31 HydrophobicContact CD1-CD2 3.98Å; L17-L31 HydrophobicContact CD1-CG 4.14Å; L17-L31 HydrophobicContact CG-CB 4.14Å; L31-G33 WeakPolarHBondContact CD1-O 3.34Å; L31-F34 HydrophobicContact CD2-CD1 4.29Å; L31-I40 HydrophobicContact CD1-CB 4.49Å; L31-I40 HydrophobicContact CD1-CG1 4.49Å; L31-I40 HydrophobicContact CD1-CG2 3.53Å |
| 32 | R | 97.8 | Very high | 96.2 | Very high | 124 Ų | 124 | 53.4 Ų | 53.4 | 47% | 0.468 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -25.3 | 176.2 | -62.6 | -54.4 | -172.3 | 160.9 | 6.8 | 113.8 | D14 V30 V41 S43 D44 | D14-R32 IonicContact OD1-CZ 3.96Å; D14-R32 IonicContact OD1-NH1 3.39Å; D14-R32 PolarHBondContact OD1-NH1 3.1Å; V30-R32 PolarHBondContact O-N 2.87Å; R32-V41 HydrophobicContact CB-CB 4.43Å; R32-V41 HydrophobicContact CB-CG1 4.2Å; R32-V41 PolarHBondContact N-O 3.42Å; R32-S43 PolarHBondContact NE-OG 2.89Å; R32-S43 PolarHBondContact NH2-OG 2.79Å; R32-D44 IonicContact NH2-OD2 2.78Å |
| 33 | G | 97.1 | Very high | 96.3 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.7 | 159.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L31 V41 | L31-G33 WeakPolarHBondContact CD1-O 3.34Å; G33-V41 PolarHBondContact N-O 2.91Å; G33-V41 PolarHBondContact O-N 3.07Å |
| 34 | F | 96.5 | Very high | 96.3 | Very high | 65 Ų | 65 | 51.2 Ų | 51.2 | 29% | 0.285 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 164.8 | 175 | 64.9 | -82.7 | 0 | 0 | 0 | 110.3 | P7 L9 K10 L13 L31 N39 I40 | P7-F34 HydrophobicContact CB-CD2 4.41Å; P7-F34 HydrophobicContact CB-CE2 4.5Å; P7-F34 WeakPolarHBondContact O-CE2 3.29Å; L9-F34 HydrophobicContact CB-CD1 3.78Å; L9-F34 HydrophobicContact CB-CD2 4.06Å; L9-F34 HydrophobicContact CB-CE1 3.85Å; L9-F34 HydrophobicContact CB-CE2 4.11Å; L9-F34 HydrophobicContact CB-CG 3.9Å; L9-F34 HydrophobicContact CB-CZ 4.02Å; L9-F34 HydrophobicContact CD1-CB 4.1Å; L9-F34 HydrophobicContact CD1-CD2 4.35Å; L9-F34 HydrophobicContact CD1-CG 4.15Å; K10-F34 HydrophobicContact CB-CE1 4.48Å; K10-F34 HydrophobicContact CB-CZ 4.23Å; L13-F34 HydrophobicContact CD2-CD1 4.29Å; L13-F34 HydrophobicContact CD2-CE1 4.27Å; L13-F34 HydrophobicContact CG-CE1 4.39Å; L31-F34 HydrophobicContact CD2-CD1 4.29Å; F34-N39 WeakPolarHBondContact CA-O 3.49Å; F34-I40 HydrophobicContact CB-CG1 4.47Å |
| 35 | D | 94.2 | Very high | 96.5 | Very high | 60 Ų | 60 | 44.3 Ų | 44.3 | 32% | 0.321 | 22% | 0.22 | S | C | . | . | trans | -126.6 | -177 | 174.8 | 72.1 | 14.9 | 0 | 0 | 0 | 112.8 | F37 M38 N39 | D35-F37 PolarHBondContact O-N 2.85Å; D35-F37 WeakPolarHBondContact OD1-CA 3.43Å; D35-F37 PolarHBondContact OD1-N 2.84Å; D35-M38 PolarHBondContact O-N 2.92Å; D35-M38 VanDerWaalsContact O-N 3.16Å; D35-M38 PolarHBondContact OD1-N 3.27Å; D35-N39 PolarHBondContact N-O 2.86Å; D35-N39 WeakPolarHBondContact OD1-CB 3.28Å; D35-N39 PolarHBondContact OD1-N 3.49Å; D35-N39 PolarHBondContact OD1-ND2 3.27Å; D35-N39 WeakPolarHBondContact OD2-CB 3.3Å; D35-N39 PolarHBondContact OD2-ND2 3.15Å | ||
| 36 | A | 91.7 | Very high | 96.6 | Very high | 47 Ų | 47 | 41 Ų | 41 | 39% | 0.388 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -14.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 37 | F | 91.9 | Very high | 96.6 | Very high | 158 Ų | 158 | 42.4 Ų | 42.4 | 69% | 0.693 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 9.3 | 177.7 | -57.2 | -73.9 | 0 | 0 | 0 | 112.4 | D35 N39 G64 | D35-F37 PolarHBondContact O-N 2.85Å; D35-F37 WeakPolarHBondContact OD1-CA 3.43Å; D35-F37 PolarHBondContact OD1-N 2.84Å; F37-N39 PolarHBondContact O-N 2.78Å; F37-G64 WeakPolarHBondContact O-CA 3.42Å |
| 38 | M | 93.1 | Very high | 96.5 | Very high | 88 Ų | 88 | 43.2 Ų | 43.2 | 43% | 0.433 | 22% | 0.219 | S | C | . | . | trans | 58 | 27.5 | -170.7 | -59.2 | -174.4 | -60.9 | 0 | 0 | 113.3 | P7 D35 I40 G64 I67 | P7-M38 HydrophobicContact CB-CG 3.95Å; P7-M38 HydrophobicContact CG-CB 4.47Å; P7-M38 HydrophobicContact CG-CG 3.35Å; P7-M38 HydrophobicContact CG-SD 4.39Å; D35-M38 PolarHBondContact O-N 2.92Å; D35-M38 VanDerWaalsContact O-N 3.16Å; D35-M38 PolarHBondContact OD1-N 3.27Å; M38-I40 PolarHBondContact O-N 2.8Å; M38-G64 VanDerWaalsContact C-CA 3.48Å; M38-G64 WeakPolarHBondContact O-CA 3.32Å; M38-I67 WeakPolarHBondContact O-CD1 3.34Å | ||
| 39 | N | 96.1 | Very high | 96.4 | Very high | 44 Ų | 44 | 44.5 Ų | 44.5 | 24% | 0.235 | 23% | 0.227 | C | C | . | . | trans | -66.9 | 132 | 162.4 | -56.6 | -49.9 | 0 | 0 | 0 | 107.5 | F34 D35 F37 V62 R63 G64 | F34-N39 WeakPolarHBondContact CA-O 3.49Å; D35-N39 PolarHBondContact N-O 2.86Å; D35-N39 WeakPolarHBondContact OD1-CB 3.28Å; D35-N39 PolarHBondContact OD1-N 3.49Å; D35-N39 PolarHBondContact OD1-ND2 3.27Å; D35-N39 WeakPolarHBondContact OD2-CB 3.3Å; D35-N39 PolarHBondContact OD2-ND2 3.15Å; F37-N39 PolarHBondContact O-N 2.78Å; N39-V62 CarbonylContact C-O 3.54Å; N39-V62 VanDerWaalsContact CA-O 3.28Å; N39-V62 WeakPolarHBondContact CA-O 3.38Å; N39-R63 VanDerWaalsContact OD1-CA 3.32Å; N39-R63 WeakPolarHBondContact OD1-CA 3.43Å; N39-G64 PolarHBondContact OD1-N 3.15Å | ||
| 40 | I | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 132.8 | -171.9 | -70.9 | -177.1 | 0 | 0 | 0 | 109.6 | L9 L19 L31 F34 M38 V42 V61 V62 I67 V70 | L9-I40 HydrophobicContact CD1-CD1 3.92Å; L9-I40 HydrophobicContact CD1-CG1 4.23Å; L19-I40 HydrophobicContact CD1-CG2 4.11Å; L19-I40 HydrophobicContact CD2-CD1 3.96Å; L31-I40 HydrophobicContact CD1-CB 4.49Å; L31-I40 HydrophobicContact CD1-CG1 4.49Å; L31-I40 HydrophobicContact CD1-CG2 3.53Å; F34-I40 HydrophobicContact CB-CG1 4.47Å; M38-I40 PolarHBondContact O-N 2.8Å; I40-V42 HydrophobicContact CG2-CG1 3.83Å; I40-V61 CarbonylContact O-C 3.57Å; I40-V61 WeakPolarHBondContact O-CA 3.46Å; I40-V62 PolarHBondContact N-O 3.23Å; I40-V62 PolarHBondContact O-N 3Å; I40-I67 HydrophobicContact CB-CD1 4.2Å; I40-I67 HydrophobicContact CD1-CD1 3.63Å; I40-I67 HydrophobicContact CG1-CD1 3.91Å; I40-V70 HydrophobicContact CD1-CG2 4.16Å |
| 41 | V | 98 | Very high | 96 | Very high | 47 Ų | 47 | 59 Ų | 59 | 29% | 0.285 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 122.7 | 168.4 | -173.1 | 0 | 0 | 0 | 0 | 108.3 | R32 G33 V61 | R32-V41 HydrophobicContact CB-CB 4.43Å; R32-V41 HydrophobicContact CB-CG1 4.2Å; R32-V41 PolarHBondContact N-O 3.42Å; G33-V41 PolarHBondContact N-O 2.91Å; G33-V41 PolarHBondContact O-N 3.07Å; V41-V61 HydrophobicContact CG2-CG2 4.32Å |
| 42 | V | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 139.8 | 173.7 | -74.5 | 0 | 0 | 0 | 0 | 111.4 | L19 V27 V30 I40 A45 M59 A60 | L19-V42 HydrophobicContact CD1-CG1 4.03Å; V27-V42 HydrophobicContact CG1-CG2 4.42Å; V30-V42 CarbonylContact O-C 3.59Å; V30-V42 VanDerWaalsContact O-CA 3.23Å; V30-V42 WeakPolarHBondContact O-CA 3.4Å; I40-V42 HydrophobicContact CG2-CG1 3.83Å; V42-A45 HydrophobicContact CB-CB 4.34Å; V42-A45 HydrophobicContact CG2-CB 3.77Å; V42-M59 WeakPolarHBondContact O-CA 3.31Å; V42-A60 HydrophobicContact CG2-CB 4.08Å; V42-A60 PolarHBondContact N-O 2.84Å; V42-A60 PolarHBondContact O-N 3.48Å |
| 43 | S | 97.9 | Very high | 95.7 | Very high | 9 Ų | 9 | 60.2 Ų | 60.2 | 6% | 0.063 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 166.6 | 164.5 | 78.6 | 0 | 0 | 0 | 0 | 111.2 | G29 V30 R32 A45 D58 | G29-S43 CarbonylContact C-O 3.44Å; G29-S43 WeakPolarHBondContact CA-O 3.47Å; V30-S43 PolarHBondContact N-O 2.96Å; V30-S43 PolarHBondContact O-N 3.01Å; R32-S43 PolarHBondContact NE-OG 2.89Å; R32-S43 PolarHBondContact NH2-OG 2.79Å; S43-A45 PolarHBondContact O-N 3.25Å; S43-A45 VanDerWaalsContact O-N 3.09Å; S43-D58 CarbonylContact C-O 3.32Å; S43-D58 VanDerWaalsContact C-O 3.32Å |
| 44 | D | 97.3 | Very high | 95.7 | Very high | 86 Ų | 86 | 65.6 Ų | 65.6 | 46% | 0.46 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.5 | 37.2 | 179.6 | -48.7 | -64 | 0 | 0 | 0 | 111.6 | R32 D58 | R32-D44 IonicContact NH2-OD2 2.78Å; D44-D58 PolarHBondContact N-O 3.43Å |
| 45 | A | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.008 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 140.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V27 V28 V42 S43 I57 D58 | V27-A45 HydrophobicContact CG1-CB 4.26Å; V28-A45 CarbonylContact O-C 3.55Å; V28-A45 VanDerWaalsContact O-CA 3.23Å; V28-A45 WeakPolarHBondContact O-CA 3.41Å; V42-A45 HydrophobicContact CB-CB 4.34Å; V42-A45 HydrophobicContact CG2-CB 3.77Å; S43-A45 PolarHBondContact O-N 3.25Å; S43-A45 VanDerWaalsContact O-N 3.09Å; A45-I57 HydrophobicContact CB-CB 4.3Å; A45-I57 PolarHBondContact O-N 2.65Å; A45-D58 WeakPolarHBondContact CB-O 3.49Å; A45-D58 PolarHBondContact N-O 2.96Å; A45-D58 PolarHBondContact O-N 2.76Å |
| 46 | Y | 97.9 | Very high | 95.9 | Very high | 48 Ų | 48 | 70.9 Ų | 70.9 | 19% | 0.188 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 144 | 168.2 | 59.2 | -91.9 | 0 | 0 | 0 | 110.3 | V27 V28 V48 Q54 I55 | V27-Y46 WeakPolarHBondContact CA-O 3.45Å; V28-Y46 HydrophobicContact CB-CD1 4.42Å; V28-Y46 HydrophobicContact CB-CD2 4.24Å; V28-Y46 HydrophobicContact CB-CE1 3.87Å; V28-Y46 HydrophobicContact CB-CE2 3.64Å; V28-Y46 VanDerWaalsContact CB-CZ 3.45Å; V28-Y46 HydrophobicContact CG1-CE1 3.91Å; V28-Y46 HydrophobicContact CG1-CE2 4.32Å; V28-Y46 WeakPolarHBondContact CG1-OH 3.23Å; V28-Y46 HydrophobicContact CG2-CE2 3.9Å; V28-Y46 PolarHBondContact N-O 2.82Å; V28-Y46 PolarHBondContact O-N 2.98Å; Y46-V48 HydrophobicContact CD2-CG2 3.92Å; Y46-V48 HydrophobicContact CE2-CG2 3.64Å; Y46-Q54 HydrophobicContact CD2-CB 3.88Å; Y46-Q54 HydrophobicContact CD2-CG 3.7Å; Y46-Q54 HydrophobicContact CE2-CB 4.44Å; Y46-Q54 VanDerWaalsContact CE2-CD 3.48Å; Y46-Q54 HydrophobicContact CE2-CG 3.79Å; Y46-Q54 HydrophobicContact CG-CB 4.38Å; Y46-I55 CarbonylContact C-O 3.46Å; Y46-I55 WeakPolarHBondContact CA-O 3.44Å; Y46-I55 WeakPolarHBondContact CB-O 3.28Å |
| 47 | E | 97.6 | Very high | 96.1 | Very high | 63 Ų | 63 | 71.9 Ų | 71.9 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 136.7 | 166.9 | 172.9 | 172.4 | -158.9 | 0 | 0 | 109.4 | E26 Q54 I55 I57 | E26-E47 WeakPolarHBondContact O-CA 3.34Å; E47-Q54 CarbonylContact O-C 3.59Å; E47-Q54 VanDerWaalsContact O-CA 3.32Å; E47-Q54 WeakPolarHBondContact O-CA 3.43Å; E47-I55 HydrophobicContact CB-CB 4.44Å; E47-I55 PolarHBondContact N-O 2.79Å; E47-I55 PolarHBondContact O-N 3.04Å; E47-I57 HydrophobicContact CB-CD1 3.91Å |
| 48 | V | 97 | Very high | 96.4 | Very high | 30 Ų | 30 | 67.8 Ų | 67.8 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 109.2 | 167.6 | -178.3 | 0 | 0 | 0 | 0 | 107.2 | E26 V28 Y46 | E26-V48 HydrophobicContact CB-CB 4.1Å; E26-V48 HydrophobicContact CG-CB 4.17Å; E26-V48 HydrophobicContact CG-CG2 4.31Å; E26-V48 PolarHBondContact O-N 3.18Å; V28-V48 HydrophobicContact CG2-CG2 3.99Å; Y46-V48 HydrophobicContact CD2-CG2 3.92Å; Y46-V48 HydrophobicContact CE2-CG2 3.64Å |
| 49 | T | 95 | Very high | 96.6 | Very high | 28 Ų | 28 | 69.9 Ų | 69.9 | 17% | 0.172 | 36% | 0.36 | C | S | . | . | trans | -71.6 | 165.3 | 178.3 | 75.6 | 0 | 0 | 0 | 0 | 110.7 | D51 G52 N53 I55 | T49-D51 PolarHBondContact O-N 3.09Å; T49-D51 VanDerWaalsContact O-N 3.15Å; T49-D51 PolarHBondContact OG1-N 2.92Å; T49-G52 PolarHBondContact O-N 2.78Å; T49-N53 HydrophobicContact CG2-CB 4.28Å; T49-N53 PolarHBondContact N-O 2.82Å; T49-N53 WeakPolarHBondContact OG1-CB 3.38Å; T49-N53 PolarHBondContact OG1-N 2.95Å; T49-I55 HydrophobicContact CG2-CD1 3.46Å; T49-I55 VanDerWaalsContact CG2-CD1 3.46Å; T49-I55 HydrophobicContact CG2-CG1 3.85Å | ||
| 50 | K | 92.1 | Very high | 96.6 | Very high | 180 Ų | 180 | 68.8 Ų | 68.8 | 78% | 0.783 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -27 | 176.4 | -64.5 | -179 | -178.9 | 176.2 | 0 | 113.2 | G52 | K50-G52 VanDerWaalsContact C-N 3.27Š|
| 51 | D | 94.4 | Very high | 96.7 | Very high | 142 Ų | 142 | 74.2 Ų | 74.2 | 76% | 0.759 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 0.6 | 177.9 | -50.9 | -45.2 | 0 | 0 | 0 | 112.7 | T49 N53 | T49-D51 PolarHBondContact O-N 3.09Å; T49-D51 VanDerWaalsContact O-N 3.15Å; T49-D51 PolarHBondContact OG1-N 2.92Å; D51-N53 VanDerWaalsContact C-N 3.34Å |
| 52 | G | 93.1 | Very high | 96.6 | Very high | 48 Ų | 48 | 72.6 Ų | 72.6 | 50% | 0.495 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 84 | 3.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T49 K50 | T49-G52 PolarHBondContact O-N 2.78Å; K50-G52 VanDerWaalsContact C-N 3.27Å |
| 53 | N | 96.3 | Very high | 96.6 | Very high | 102 Ų | 102 | 80.9 Ų | 80.9 | 55% | 0.545 | 41% | 0.411 | S | S | . | . | trans | -70.9 | 148.1 | 175.8 | -66.6 | -43 | 0 | 0 | 0 | 110.8 | T49 D51 | T49-N53 HydrophobicContact CG2-CB 4.28Å; T49-N53 PolarHBondContact N-O 2.82Å; T49-N53 WeakPolarHBondContact OG1-CB 3.38Å; T49-N53 PolarHBondContact OG1-N 2.95Å; D51-N53 VanDerWaalsContact C-N 3.34Å | ||
| 54 | Q | 96.9 | Very high | 96.5 | Very high | 131 Ų | 131 | 80.6 Ų | 80.6 | 61% | 0.612 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 115.8 | 176.2 | -63.5 | -177.2 | 13.3 | 0 | 0 | 109.9 | Y46 E47 | Y46-Q54 HydrophobicContact CD2-CB 3.88Å; Y46-Q54 HydrophobicContact CD2-CG 3.7Å; Y46-Q54 HydrophobicContact CE2-CB 4.44Å; Y46-Q54 VanDerWaalsContact CE2-CD 3.48Å; Y46-Q54 HydrophobicContact CE2-CG 3.79Å; Y46-Q54 HydrophobicContact CG-CB 4.38Å; E47-Q54 CarbonylContact O-C 3.59Å; E47-Q54 VanDerWaalsContact O-CA 3.32Å; E47-Q54 WeakPolarHBondContact O-CA 3.43Å |
| 55 | I | 97.5 | Very high | 96.5 | Very high | 87 Ų | 87 | 82.6 Ų | 82.6 | 45% | 0.446 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 118.9 | 177 | -58.7 | 176.8 | 0 | 0 | 0 | 108.4 | Y46 E47 T49 | Y46-I55 CarbonylContact C-O 3.46Å; Y46-I55 WeakPolarHBondContact CA-O 3.44Å; Y46-I55 WeakPolarHBondContact CB-O 3.28Å; E47-I55 HydrophobicContact CB-CB 4.44Å; E47-I55 PolarHBondContact N-O 2.79Å; E47-I55 PolarHBondContact O-N 3.04Å; T49-I55 HydrophobicContact CG2-CD1 3.46Å; T49-I55 VanDerWaalsContact CG2-CD1 3.46Å; T49-I55 HydrophobicContact CG2-CG1 3.85Å |
| 56 | K | 97.6 | Very high | 96.5 | Very high | 150 Ų | 150 | 84 Ų | 84 | 65% | 0.652 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 131.6 | -178.6 | -164.8 | -179.8 | -171.9 | -116.1 | 0 | 111.1 | D58 | K56-D58 WeakPolarHBondContact CE-OD1 3.13Å; K56-D58 IonicContact NZ-OD1 2.92Å; K56-D58 PolarHBondContact NZ-OD1 3.14Å; K56-D58 IonicContact NZ-OD2 3.3Å; K56-D58 PolarHBondContact NZ-OD2 2.96Å |
| 57 | I | 96.5 | Very high | 96.4 | Very high | 67 Ų | 67 | 82.7 Ų | 82.7 | 34% | 0.344 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | -27.4 | 176.2 | -60.8 | 170 | 0 | 0 | 0 | 111.3 | V27 A45 E47 M59 A60 | V27-I57 HydrophobicContact CG2-CD1 4.46Å; A45-I57 HydrophobicContact CB-CB 4.3Å; A45-I57 PolarHBondContact O-N 2.65Å; E47-I57 HydrophobicContact CB-CD1 3.91Å; I57-M59 PolarHBondContact O-N 3.39Å; I57-A60 HydrophobicContact CG2-CB 3.91Å |
| 58 | D | 96.8 | Very high | 96.4 | Very high | 73 Ų | 73 | 84.4 Ų | 84.4 | 39% | 0.39 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 71.4 | -94.4 | -172.4 | -69.7 | -49.8 | 0 | 0 | 0 | 113.6 | S43 D44 A45 K56 | S43-D58 CarbonylContact C-O 3.32Å; S43-D58 VanDerWaalsContact C-O 3.32Å; D44-D58 PolarHBondContact N-O 3.43Å; A45-D58 WeakPolarHBondContact CB-O 3.49Å; A45-D58 PolarHBondContact N-O 2.96Å; A45-D58 PolarHBondContact O-N 2.76Å; K56-D58 WeakPolarHBondContact CE-OD1 3.13Å; K56-D58 IonicContact NZ-OD1 2.92Å; K56-D58 PolarHBondContact NZ-OD1 3.14Å; K56-D58 IonicContact NZ-OD2 3.3Å; K56-D58 PolarHBondContact NZ-OD2 2.96Å |
| 59 | M | 97.4 | Very high | 96.3 | Very high | 132 Ų | 132 | 86.8 Ų | 86.8 | 65% | 0.65 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129 | -178.9 | -174.8 | 172 | -78.4 | 0 | 0 | 110.2 | V42 I57 | V42-M59 WeakPolarHBondContact O-CA 3.31Å; I57-M59 PolarHBondContact O-N 3.39Å |
| 60 | A | 97.3 | Very high | 96.3 | Very high | 21 Ų | 21 | 87.9 Ų | 87.9 | 17% | 0.174 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 147.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | V42 I57 | V42-A60 HydrophobicContact CG2-CB 4.08Å; V42-A60 PolarHBondContact N-O 2.84Å; V42-A60 PolarHBondContact O-N 3.48Å; I57-A60 HydrophobicContact CG2-CB 3.91Å |
| 61 | V | 97.7 | Very high | 96.5 | Very high | 113 Ų | 113 | 82.2 Ų | 82.2 | 69% | 0.685 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 118.7 | 167.3 | -175.8 | 0 | 0 | 0 | 0 | 108 | I40 V41 | I40-V61 CarbonylContact O-C 3.57Å; I40-V61 WeakPolarHBondContact O-CA 3.46Å; V41-V61 HydrophobicContact CG2-CG2 4.32Å |
| 62 | V | 97.5 | Very high | 96.4 | Very high | 14 Ų | 14 | 77.3 Ų | 77.3 | 9% | 0.085 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 123.1 | 179.4 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | L19 L21 N39 I40 G64 I67 | L19-V62 HydrophobicContact CD1-CB 4.42Å; L19-V62 HydrophobicContact CD1-CG2 3.98Å; L21-V62 HydrophobicContact CD1-CG1 4.37Å; L21-V62 HydrophobicContact CD2-CG1 3.61Å; N39-V62 CarbonylContact C-O 3.54Å; N39-V62 VanDerWaalsContact CA-O 3.28Å; N39-V62 WeakPolarHBondContact CA-O 3.38Å; I40-V62 PolarHBondContact N-O 3.23Å; I40-V62 PolarHBondContact O-N 3Å; V62-G64 PolarHBondContact O-N 3.39Å; V62-I67 HydrophobicContact CB-CD1 4.33Å; V62-I67 HydrophobicContact CG1-CD1 3.8Å; V62-I67 HydrophobicContact CG1-CG1 3.61Å |
| 63 | R | 97.5 | Very high | 96.4 | Very high | 173 Ų | 173 | 78.6 Ų | 78.6 | 65% | 0.653 | 41% | 0.412 | S | S | * | . | trans | -67 | 130 | 175.3 | -174.8 | 178.5 | -179.4 | 176.5 | -0.1 | 110.3 | N39 N65 S66 | N39-R63 VanDerWaalsContact OD1-CA 3.32Å; N39-R63 WeakPolarHBondContact OD1-CA 3.43Å; R63-N65 VanDerWaalsContact C-N 3.31Å; R63-N65 HydrophobicContact CG-CB 4.47Å; R63-N65 PolarHBondContact O-N 2.91Å; R63-S66 VanDerWaalsContact O-CB 3.29Å; R63-S66 WeakPolarHBondContact O-CB 3.15Å; R63-S66 PolarHBondContact O-N 2.9Å | ||
| 64 | G | 95.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 77.3 Ų | 77.3 | 3% | 0.031 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -59.7 | -36.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | F37 M38 N39 V62 S66 I67 | F37-G64 WeakPolarHBondContact O-CA 3.42Å; M38-G64 VanDerWaalsContact C-CA 3.48Å; M38-G64 WeakPolarHBondContact O-CA 3.32Å; N39-G64 PolarHBondContact OD1-N 3.15Å; V62-G64 PolarHBondContact O-N 3.39Å; G64-S66 PolarHBondContact O-N 2.83Å; G64-S66 VanDerWaalsContact O-N 3.07Å; G64-I67 WeakPolarHBondContact O-CB 3.36Å; G64-I67 PolarHBondContact O-N 3.25Å |
| 65 | N | 96.4 | Very high | 94.6 | Very high | 128 Ų | 128 | 82.4 Ų | 82.4 | 68% | 0.684 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -63.6 | -14.2 | 175 | -167 | 71.3 | 0 | 0 | 0 | 114.1 | N22 R63 | N22-N65 PolarHBondContact ND2-O 2.9Å; R63-N65 VanDerWaalsContact C-N 3.31Å; R63-N65 HydrophobicContact CG-CB 4.47Å; R63-N65 PolarHBondContact O-N 2.91Å |
| 66 | S | 97.6 | Very high | 93.3 | Very high | 30 Ų | 30 | 84.9 Ų | 84.9 | 21% | 0.21 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -91.6 | -9.6 | 176.1 | -59.6 | 0 | 0 | 0 | 0 | 113 | L21 N22 R63 G64 | L21-S66 CarbonylContact C-O 3.55Å; L21-S66 WeakPolarHBondContact CA-O 3.23Å; N22-S66 PolarHBondContact N-O 2.93Å; R63-S66 VanDerWaalsContact O-CB 3.29Å; R63-S66 WeakPolarHBondContact O-CB 3.15Å; R63-S66 PolarHBondContact O-N 2.9Å; G64-S66 PolarHBondContact O-N 2.83Å; G64-S66 VanDerWaalsContact O-N 3.07Å |
| 67 | I | 97 | Very high | 93.1 | Very high | 21 Ų | 21 | 81.6 Ų | 81.6 | 11% | 0.108 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 119.4 | -173.4 | -52.9 | -178.6 | 0 | 0 | 0 | 109.1 | L21 M38 I40 V62 G64 V70 | L21-I67 HydrophobicContact CD2-CB 4.46Å; L21-I67 HydrophobicContact CD2-CG1 3.94Å; M38-I67 WeakPolarHBondContact O-CD1 3.34Å; I40-I67 HydrophobicContact CB-CD1 4.2Å; I40-I67 HydrophobicContact CD1-CD1 3.63Å; I40-I67 HydrophobicContact CG1-CD1 3.91Å; V62-I67 HydrophobicContact CB-CD1 4.33Å; V62-I67 HydrophobicContact CG1-CD1 3.8Å; V62-I67 HydrophobicContact CG1-CG1 3.61Å; G64-I67 WeakPolarHBondContact O-CB 3.36Å; G64-I67 PolarHBondContact O-N 3.25Å; I67-V70 HydrophobicContact CG2-CG2 3.61Å |
| 68 | N | 96.6 | Very high | 92.9 | Very high | 99 Ų | 99 | 82.4 Ų | 82.4 | 53% | 0.529 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -44 | 175.7 | -67.7 | -38.2 | 0 | 0 | 0 | 111.5 | K20 L21 N22 | K20-N68 WeakPolarHBondContact O-CB 3.37Å; K20-N68 PolarHBondContact O-N 2.83Å; L21-N68 VanDerWaalsContact C-ND2 3.3Å; L21-N68 PolarHBondContact O-ND2 3.06Å; N22-N68 PolarHBondContact N-ND2 3.25Å; N22-N68 PolarHBondContact OD1-ND2 2.92Å; N22-N68 VanDerWaalsContact OD1-ND2 3.14Å; N22-N68 PolarHBondContact OD1-OD1 3.15Å |
| 69 | I | 95.8 | Very high | 92.7 | Very high | 81 Ų | 81 | 82.9 Ų | 82.9 | 42% | 0.415 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 139.1 | -178.1 | -49 | -179.7 | 0 | 0 | 0 | 109.5 | K20 E71 | K20-I69 HydrophobicContact CB-CB 4.09Å; K20-I69 HydrophobicContact CD-CB 4.2Å; K20-I69 HydrophobicContact CD-CD1 4Å; K20-I69 HydrophobicContact CD-CG1 4.44Å; K20-I69 PolarHBondContact N-O 2.91Å; K20-I69 PolarHBondContact O-N 2.88Å; I69-E71 HydrophobicContact CG2-CG 3.8Å |
| 70 | V | 95.3 | Very high | 92.4 | Very high | 50 Ų | 50 | 80 Ų | 80 | 30% | 0.303 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 117.5 | 169.2 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | L9 L17 L19 I40 I67 | L9-V70 HydrophobicContact CD2-CG1 4.21Å; L17-V70 HydrophobicContact CD1-CG1 3.8Å; L17-V70 HydrophobicContact CD2-CG1 4.13Å; L17-V70 HydrophobicContact CG-CG1 4.42Å; L19-V70 HydrophobicContact CD2-CB 4.35Å; L19-V70 HydrophobicContact CD2-CG1 3.96Å; L19-V70 HydrophobicContact CD2-CG2 3.95Å; I40-V70 HydrophobicContact CD1-CG2 4.16Å; I67-V70 HydrophobicContact CG2-CG2 3.61Å |
| 71 | E | 95 | Very high | 92.1 | Very high | 62 Ų | 62 | 83.7 Ų | 83.7 | 29% | 0.29 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 130.3 | 179 | -67 | 172.3 | -169 | 0 | 0 | 109.7 | L17 R18 K20 I69 | L17-E71 CarbonylContact C-O 3.56Å; L17-E71 WeakPolarHBondContact CA-O 3.32Å; R18-E71 HydrophobicContact CB-CB 4.18Å; R18-E71 VanDerWaalsContact CD-OE2 3.3Å; R18-E71 WeakPolarHBondContact CD-OE2 2.94Å; R18-E71 PolarHBondContact N-O 2.61Å; R18-E71 PolarHBondContact O-N 2.9Å; K20-E71 WeakPolarHBondContact CE-OE1 3.4Å; K20-E71 IonicContact NZ-OE1 2.65Å; K20-E71 PolarHBondContact NZ-OE1 2.92Å; K20-E71 IonicContact NZ-OE2 2.61Å; I69-E71 HydrophobicContact CG2-CG 3.8Å |
| 72 | G | 93.9 | Very high | 91.8 | Very high | 38 Ų | 38 | 81.7 Ų | 81.7 | 39% | 0.392 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 124.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 73 | V | 91.7 | Very high | 91.3 | Very high | 75 Ų | 75 | 86.6 Ų | 86.6 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | trans | -83.1 | -39.5 | 176.8 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | R16 R18 V28 | R16-V73 HydrophobicContact CB-CB 4.13Å; R16-V73 HydrophobicContact CG-CB 4.04Å; R16-V73 HydrophobicContact CG-CG1 4.48Å; R16-V73 HydrophobicContact CG-CG2 4.07Å; R16-V73 PolarHBondContact O-N 2.82Å; R18-V73 HydrophobicContact CB-CG2 3.93Å; V28-V73 HydrophobicContact CG1-CG2 4.44Å | ||
| 74 | D | 82.8 | Confident | 90.9 | Very high | 75 Ų | 75 | 79.9 Ų | 79.9 | 40% | 0.401 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -84.6 | 149.2 | 177.9 | -57.7 | -41 | 0 | 0 | 0 | 111 | K15 R16 I76 | K15-D74 HydrophobicContact CD-CB 4.49Å; R16-D74 WeakPolarHBondContact CB-OD2 3.45Å; R16-D74 PolarHBondContact N-OD2 3.4Å; D74-I76 PolarHBondContact O-N 3.19Å |
| 75 | R | 73.6 | Confident | 90.5 | Very high | 239 Ų | 239 | 86.3 Ų | 86.3 | 90% | 0.902 | 45% | 0.45 | S | S | * | . | trans | -65.3 | 132.9 | 167.4 | -68.6 | -176.1 | 178.9 | -169.8 | -0.3 | 109.1 | ||||
| 76 | I | 69.7 | Low | 89.9 | Confident | 138 Ų | 138 | 82.5 Ų | 82.5 | 71% | 0.708 | 43% | 0.428 | S | S | * | . | trans | -82.4 | 0 | 172.4 | -52 | 174.1 | 0 | 0 | 0 | 108.7 | K11 Y12 D74 | K11-I76 HydrophobicContact CD-CD1 4.2Å; K11-I76 HydrophobicContact CG-CD1 4.34Å; Y12-I76 HydrophobicContact CD1-CD1 3.9Å; Y12-I76 HydrophobicContact CD1-CG1 4.38Å; Y12-I76 HydrophobicContact CE1-CD1 3.23Å; Y12-I76 HydrophobicContact CE1-CG1 4.03Å; Y12-I76 HydrophobicContact CE2-CD1 4.33Å; Y12-I76 VanDerWaalsContact CZ-CD1 3.47Å; D74-I76 PolarHBondContact O-N 3.19Å |
Retrieved 76 of 76 residues in 35.3 ms
(Link to these results)