| 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 | 51.9 | Low | 77.5 | Confident | 231 Ų | 231 | 124.2 Ų | 124.2 | 100% | 1.138 | 64% | 0.635 | S | S | * | * | 0 | 102.9 | 0 | 56.7 | -164 | 179 | 0 | 0 | 107.9 | T3 | M1-T3 PolarHBondContact O-N 3.32Š| |||
| 2 | H | 55.1 | Low | 79 | Confident | 191 Ų | 191 | 119.5 Ų | 119.5 | 88% | 0.884 | 61% | 0.606 | S | S | * | * | trans | -78.2 | 107.9 | 171.9 | -69.3 | 96.1 | 0 | 0 | 0 | 106.5 | T4 | H2-T4 PolarHBondContact O-N 3.5Å; H2-T4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | T | 61.8 | Low | 80.4 | Confident | 132 Ų | 132 | 110.3 Ų | 110.3 | 81% | 0.81 | 56% | 0.56 | S | S | * | * | trans | -64.2 | 107.1 | 164.9 | 33.5 | 0 | 0 | 0 | 0 | 106.9 | M1 Q5 | M1-T3 PolarHBondContact O-N 3.32Å; T3-Q5 PolarHBondContact O-N 2.91Å | ||
| 4 | T | 70.8 | Confident | 81.6 | Confident | 141 Ų | 141 | 106.8 Ų | 106.8 | 87% | 0.865 | 54% | 0.539 | S | S | * | . | trans | -55.6 | 104 | 169.9 | -60.7 | 0 | 0 | 0 | 0 | 107.5 | H2 K6 | H2-T4 PolarHBondContact O-N 3.5Å; H2-T4 VanDerWaalsContact O-N 3.1Å; T4-K6 PolarHBondContact O-N 3.31Å | ||
| 5 | Q | 70.4 | Confident | 82.6 | Confident | 177 Ų | 177 | 99.7 Ų | 99.7 | 83% | 0.827 | 50% | 0.503 | S | S | * | . | trans | -74.1 | 108.9 | 179.8 | -163.9 | 177.1 | 70.5 | 0 | 0 | 106.8 | T3 | T3-Q5 PolarHBondContact O-N 2.91Š| ||
| 6 | K | 82.6 | Confident | 83.5 | Confident | 111 Ų | 111 | 93.8 Ų | 93.8 | 48% | 0.483 | 48% | 0.475 | S | S | . | . | trans | -71.6 | 131.9 | 176.8 | -166.3 | -177.3 | -168.9 | -167.7 | 0 | 108.8 | T4 T8 E38 | T4-K6 PolarHBondContact O-N 3.31Å; K6-T8 HydrophobicContact CB-CG2 4.47Å; K6-T8 PolarHBondContact O-N 3.1Å; K6-E38 WeakPolarHBondContact CD-OE1 2.99Å; K6-E38 IonicContact NZ-OE1 3.07Å; K6-E38 PolarHBondContact NZ-OE1 3.48Å; K6-E38 VanDerWaalsContact NZ-OE1 3.07Å; K6-E38 IonicContact NZ-OE2 2.71Å; K6-E38 PolarHBondContact NZ-OE2 2.74Å | ||
| 7 | D | 87.2 | Confident | 84.2 | Confident | 141 Ų | 141 | 90.1 Ų | 90.1 | 75% | 0.754 | 47% | 0.466 | S | S | * | . | trans | -71.1 | 94.1 | 176.4 | -70 | -44.4 | 0 | 0 | 0 | 110.4 | T9 | D7-T9 VanDerWaalsContact C-N 3.33Š| ||
| 8 | T | 91.1 | Very high | 84.9 | Confident | 39 Ų | 39 | 85.1 Ų | 85.1 | 24% | 0.239 | 44% | 0.44 | C | S | . | . | trans | -94.3 | 17.4 | 179.9 | 67.5 | 0 | 0 | 0 | 0 | 113.2 | K6 Y10 T11 K12 T58 | K6-T8 HydrophobicContact CB-CG2 4.47Å; K6-T8 PolarHBondContact O-N 3.1Å; T8-Y10 VanDerWaalsContact C-N 3.29Å; T8-Y10 PolarHBondContact O-N 2.88Å; T8-T11 WeakPolarHBondContact CA-OG1 3.19Å; T8-T11 PolarHBondContact O-N 2.87Å; T8-K12 WeakPolarHBondContact O-CB 3.49Å; T8-K12 PolarHBondContact O-N 3.09Å; T8-T58 HydrophobicContact CG2-CG2 3.76Å | ||
| 9 | T | 91.6 | Very high | 85.5 | Confident | 65 Ų | 65 | 81.1 Ų | 81.1 | 40% | 0.399 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -42.6 | -172.8 | -57 | 0 | 0 | 0 | 0 | 112.1 | D7 Y87 | D7-T9 VanDerWaalsContact C-N 3.33Å; T9-Y87 HydrophobicContact CG2-CD1 4.27Å; T9-Y87 HydrophobicContact CG2-CG 4.26Å; T9-Y87 VanDerWaalsContact O-CD1 3.24Å; T9-Y87 WeakPolarHBondContact O-CD1 3.23Å |
| 10 | Y | 94.2 | Very high | 86 | Confident | 119 Ų | 119 | 85.2 Ų | 85.2 | 47% | 0.467 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -1.3 | -177.2 | -56.5 | -72.8 | 0 | 0 | 0 | 114.3 | T8 Y87 | T8-Y10 VanDerWaalsContact C-N 3.29Å; T8-Y10 PolarHBondContact O-N 2.88Å; Y10-Y87 HydrophobicContact CD1-CE1 4.15Å; Y10-Y87 HydrophobicContact CE1-CE1 4.37Å |
| 11 | T | 95.8 | Very high | 86.4 | Confident | 19 Ų | 19 | 87.8 Ų | 87.8 | 12% | 0.117 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -16.2 | 179.7 | 58.7 | 0 | 0 | 0 | 0 | 112.7 | T8 M59 R62 | T8-T11 WeakPolarHBondContact CA-OG1 3.19Å; T8-T11 PolarHBondContact O-N 2.87Å; T11-M59 WeakPolarHBondContact CB-O 3.28Å; T11-M59 PolarHBondContact O-N 2.97Å; T11-R62 HydrophobicContact CG2-CB 4.28Å |
| 12 | K | 96 | Very high | 88.4 | Confident | 68 Ų | 68 | 77 Ų | 77 | 30% | 0.296 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 126.9 | 178.4 | -166.8 | 173.2 | -172.8 | 164 | 0 | 111.3 | T8 F56 V57 A86 | T8-K12 WeakPolarHBondContact O-CB 3.49Å; T8-K12 PolarHBondContact O-N 3.09Å; K12-F56 HydrophobicContact CG-CD1 4.48Å; K12-V57 CarbonylContact C-O 3.46Å; K12-V57 WeakPolarHBondContact CA-O 3.32Å; K12-A86 HydrophobicContact CB-CB 4.03Å; K12-A86 HydrophobicContact CD-CB 4.13Å; K12-A86 HydrophobicContact CG-CB 3.71Å; K12-A86 WeakPolarHBondContact O-CB 3.41Å; K12-A86 PolarHBondContact O-N 2.73Å |
| 13 | I | 96.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132.4 | -176.1 | -49.7 | 172.2 | 0 | 0 | 0 | 108.1 | V15 F56 V57 M59 A65 A68 V83 N84 | I13-V15 HydrophobicContact CG2-CG2 4.35Å; I13-F56 VanDerWaalsContact O-CA 3.29Å; I13-F56 WeakPolarHBondContact O-CA 3.5Å; I13-V57 HydrophobicContact CB-CB 4.43Å; I13-V57 PolarHBondContact N-O 3.36Å; I13-V57 PolarHBondContact O-N 3.45Å; I13-M59 HydrophobicContact CD1-CG 3.63Å; I13-M59 HydrophobicContact CD1-SD 4.14Å; I13-M59 HydrophobicContact CG1-CG 4.42Å; I13-A65 HydrophobicContact CD1-CB 3.99Å; I13-A65 HydrophobicContact CG1-CB 4.03Å; I13-A68 HydrophobicContact CD1-CB 3.72Å; I13-V83 HydrophobicContact CG2-CG1 3.25Å; I13-N84 CarbonylContact C-O 3.47Å; I13-N84 WeakPolarHBondContact CA-O 3.33Å; I13-N84 WeakPolarHBondContact CG2-O 3.48Å |
| 14 | F | 97 | Very high | 91.9 | Very high | 61 Ų | 61 | 68.7 Ų | 68.7 | 27% | 0.268 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 133.5 | 166.8 | 168.6 | -99.6 | 0 | 0 | 0 | 109.8 | Y54 F56 V83 N84 A86 | F14-Y54 AromaticContact CE2-CD2 3.92Å; F14-Y54 HydrophobicContact CE2-CD2 3.92Å; F14-Y54 HydrophobicContact CE2-CG 4.2Å; F14-F56 HydrophobicContact CB-CD1 4.37Å; F14-F56 HydrophobicContact CB-CE1 4.14Å; F14-F56 HydrophobicContact CD2-CD1 4.48Å; F14-F56 AromaticContact CD2-CE1 3.85Å; F14-F56 HydrophobicContact CD2-CE1 3.85Å; F14-F56 HydrophobicContact CD2-CZ 4.15Å; F14-V83 WeakPolarHBondContact O-CA 3.34Å; F14-N84 PolarHBondContact N-O 2.94Å; F14-N84 PolarHBondContact O-N 2.88Å; F14-A86 HydrophobicContact CB-CB 4.38Å |
| 15 | V | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 109.5 | 176.7 | -169.9 | 0 | 0 | 0 | 0 | 108.6 | I13 L18 L27 F31 Y54 G55 V57 I76 A81 N82 V83 | I13-V15 HydrophobicContact CG2-CG2 4.35Å; V15-L18 HydrophobicContact CG1-CD1 4.26Å; V15-L18 HydrophobicContact CG1-CD2 3.67Å; V15-L18 HydrophobicContact CG1-CG 4.07Å; V15-L27 HydrophobicContact CB-CD1 4.33Å; V15-L27 HydrophobicContact CG1-CD1 4.27Å; V15-F31 HydrophobicContact CB-CZ 4.49Å; V15-F31 HydrophobicContact CG1-CE2 4.18Å; V15-F31 HydrophobicContact CG1-CZ 4.19Å; V15-F31 HydrophobicContact CG2-CE1 4.41Å; V15-F31 HydrophobicContact CG2-CE2 3.62Å; V15-F31 HydrophobicContact CG2-CZ 3.44Å; V15-F31 VanDerWaalsContact CG2-CZ 3.44Å; V15-Y54 CarbonylContact O-C 3.53Å; V15-Y54 WeakPolarHBondContact O-CA 3.41Å; V15-Y54 WeakPolarHBondContact O-CB 3.4Å; V15-G55 PolarHBondContact N-O 3.12Å; V15-G55 PolarHBondContact O-N 2.95Å; V15-V57 HydrophobicContact CG2-CG2 4.13Å; V15-I76 HydrophobicContact CG1-CD1 3.93Å; V15-A81 HydrophobicContact CG1-CB 4.46Å; V15-N82 CarbonylContact C-O 3.57Å; V15-N82 WeakPolarHBondContact CA-O 3Å; V15-V83 HydrophobicContact CG1-CG2 4.37Å |
| 16 | G | 96.5 | Very high | 94.2 | Very high | 6 Ų | 6 | 59.3 Ų | 59.3 | 6% | 0.062 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 165 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L18 A81 N82 | G16-L18 VanDerWaalsContact C-N 3.32Å; G16-L18 PolarHBondContact O-N 2.89Å; G16-A81 CarbonylContact O-C 3.45Å; G16-A81 WeakPolarHBondContact O-CA 3.3Å; G16-A81 WeakPolarHBondContact O-CB 3.21Å; G16-N82 PolarHBondContact N-O 2.99Å; G16-N82 PolarHBondContact O-N 3.28Å |
| 17 | G | 95.9 | Very high | 94.8 | Very high | 30 Ų | 30 | 54 Ų | 54 | 31% | 0.309 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 76.8 | 17.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G53 R79 | G17-G53 PolarHBondContact N-O 2.94Å; G17-R79 WeakPolarHBondContact O-CD 3.42Å; G17-R79 WeakPolarHBondContact O-CG 3.43Å; G17-R79 PolarHBondContact O-NE 3.38Å |
| 18 | L | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -66.3 | 145.3 | 177.6 | -62.2 | 172.8 | 0 | 0 | 0 | 111 | V15 G16 T22 L27 V42 G53 I76 R79 A81 | V15-L18 HydrophobicContact CG1-CD1 4.26Å; V15-L18 HydrophobicContact CG1-CD2 3.67Å; V15-L18 HydrophobicContact CG1-CG 4.07Å; G16-L18 VanDerWaalsContact C-N 3.32Å; G16-L18 PolarHBondContact O-N 2.89Å; L18-T22 HydrophobicContact CD2-CG2 4.4Å; L18-L27 HydrophobicContact CD1-CD1 3.35Å; L18-L27 HydrophobicContact CD2-CD1 4.06Å; L18-L27 HydrophobicContact CG-CD1 4.34Å; L18-V42 HydrophobicContact CD1-CG2 4.47Å; L18-G53 PolarHBondContact N-O 2.98Å; L18-G53 WeakPolarHBondContact O-CA 3.24Å; L18-I76 HydrophobicContact CD2-CB 4.28Å; L18-I76 HydrophobicContact CD2-CD1 3.88Å; L18-I76 HydrophobicContact CD2-CG2 4.13Å; L18-R79 PolarHBondContact O-NH1 2.77Å; L18-A81 HydrophobicContact CD2-CB 4.48Å | ||
| 19 | P | 96.1 | Very high | 95.5 | Very high | 9 Ų | 9 | 59.7 Ų | 59.7 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | trans | -57.4 | 146.8 | 164.9 | -24.6 | 33.2 | 0 | 0 | 0 | 112.2 | H21 T22 D77 R79 | P19-H21 WeakPolarHBondContact CB-CE1 3.48Å; P19-H21 PolarHBondContact O-N 3.34Å; P19-H21 VanDerWaalsContact O-N 3.16Å; P19-T22 WeakPolarHBondContact CD-OG1 3.34Å; P19-T22 VanDerWaalsContact O-CB 3.27Å; P19-T22 WeakPolarHBondContact O-CB 3.29Å; P19-T22 PolarHBondContact O-N 3.05Å; P19-T22 PolarHBondContact O-OG1 3.21Å; P19-D77 HydrophobicContact CG-CB 3.99Å; P19-R79 HydrophobicContact CG-CB 3.59Å; P19-R79 HydrophobicContact CG-CG 4.46Å | ||
| 20 | Y | 95.4 | Very high | 95.6 | Very high | 163 Ų | 163 | 59.7 Ų | 59.7 | 64% | 0.639 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.4 | -178 | -59.7 | -40.4 | 0 | 0 | 0 | 114.6 | S51 | Y20-S51 WeakPolarHBondContact CD1-O 3.46Å; Y20-S51 VanDerWaalsContact O-CB 3.24Å; Y20-S51 WeakPolarHBondContact O-CB 3.07Å |
| 21 | H | 94.2 | Very high | 95.7 | Very high | 141 Ų | 141 | 54.1 Ų | 54.1 | 65% | 0.653 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -0.5 | 175.4 | 59.5 | -91.1 | 0 | 0 | 0 | 113 | P19 T23 | P19-H21 WeakPolarHBondContact CB-CE1 3.48Å; P19-H21 PolarHBondContact O-N 3.34Å; P19-H21 VanDerWaalsContact O-N 3.16Å; H21-T23 PolarHBondContact O-N 2.9Å |
| 22 | T | 94.4 | Very high | 95.7 | Very high | 5 Ų | 5 | 59.3 Ų | 59.3 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | trans | -67.9 | 127.4 | 176.5 | -46.1 | 0 | 0 | 0 | 0 | 109.7 | L18 P19 L27 | L18-T22 HydrophobicContact CD2-CG2 4.4Å; P19-T22 WeakPolarHBondContact CD-OG1 3.34Å; P19-T22 VanDerWaalsContact O-CB 3.27Å; P19-T22 WeakPolarHBondContact O-CB 3.29Å; P19-T22 PolarHBondContact O-N 3.05Å; P19-T22 PolarHBondContact O-OG1 3.21Å; T22-L27 HydrophobicContact CG2-CB 4.36Å | ||
| 23 | T | 95.6 | Very high | 95.6 | Very high | 64 Ų | 64 | 61.2 Ų | 61.2 | 39% | 0.393 | 31% | 0.306 | S | S | . | . | trans | -99.3 | 164.7 | 175.2 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | H21 S25 S26 L27 | H21-T23 PolarHBondContact O-N 2.9Å; T23-S25 PolarHBondContact O-N 3.46Å; T23-S26 PolarHBondContact O-N 2.71Å; T23-S26 PolarHBondContact OG1-N 3.42Å; T23-S26 PolarHBondContact OG1-OG 2.71Å; T23-L27 WeakPolarHBondContact O-CB 3.24Å; T23-L27 PolarHBondContact O-N 3.18Å; T23-L27 VanDerWaalsContact O-N 3.09Å | ||
| 24 | D | 95.6 | Very high | 95.6 | Very high | 84 Ų | 84 | 63.4 Ų | 63.4 | 45% | 0.449 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -49.7 | -39.2 | 168.5 | 49.2 | -84.4 | 0 | 0 | 0 | 112.1 | L27 R28 | D24-L27 PolarHBondContact O-N 2.79Å; D24-R28 VanDerWaalsContact O-CB 3.3Å; D24-R28 WeakPolarHBondContact O-CB 3.35Å; D24-R28 PolarHBondContact O-N 3.15Å |
| 25 | S | 95.1 | Very high | 95.5 | Very high | 75 Ų | 75 | 61.3 Ų | 61.3 | 52% | 0.524 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.9 | -44.9 | -177.2 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | T23 L27 R28 K29 | T23-S25 PolarHBondContact O-N 3.46Å; S25-L27 VanDerWaalsContact C-N 3.33Å; S25-R28 PolarHBondContact O-N 2.79Å; S25-K29 WeakPolarHBondContact O-CB 3.42Å; S25-K29 PolarHBondContact O-N 2.97Å |
| 26 | S | 94.4 | Very high | 95.4 | Very high | 45 Ų | 45 | 67.9 Ų | 67.9 | 32% | 0.315 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 174.9 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | T23 K29 Y30 | T23-S26 PolarHBondContact O-N 2.71Å; T23-S26 PolarHBondContact OG1-N 3.42Å; T23-S26 PolarHBondContact OG1-OG 2.71Å; S26-K29 PolarHBondContact O-N 2.77Å; S26-Y30 PolarHBondContact O-N 2.84Å |
| 27 | L | 95.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 177.9 | -176.2 | 130.6 | 0 | 0 | 0 | 111 | V15 L18 T22 T23 D24 S25 K29 Y30 F31 A40 V42 V57 | V15-L27 HydrophobicContact CB-CD1 4.33Å; V15-L27 HydrophobicContact CG1-CD1 4.27Å; L18-L27 HydrophobicContact CD1-CD1 3.35Å; L18-L27 HydrophobicContact CD2-CD1 4.06Å; L18-L27 HydrophobicContact CG-CD1 4.34Å; T22-L27 HydrophobicContact CG2-CB 4.36Å; T23-L27 WeakPolarHBondContact O-CB 3.24Å; T23-L27 PolarHBondContact O-N 3.18Å; T23-L27 VanDerWaalsContact O-N 3.09Å; D24-L27 PolarHBondContact O-N 2.79Å; S25-L27 VanDerWaalsContact C-N 3.33Å; L27-K29 PolarHBondContact O-N 3.17Å; L27-Y30 PolarHBondContact O-N 2.9Å; L27-F31 HydrophobicContact CG-CD2 4.21Å; L27-F31 HydrophobicContact CG-CE2 4.24Å; L27-F31 WeakPolarHBondContact O-CD2 3.12Å; L27-F31 PolarHBondContact O-N 2.81Å; L27-F31 VanDerWaalsContact O-N 3.16Å; L27-A40 HydrophobicContact CD2-CB 3.81Å; L27-V42 HydrophobicContact CB-CG2 4.37Å; L27-V42 HydrophobicContact CD1-CG2 4.19Å; L27-V57 HydrophobicContact CD2-CG2 3.26Å; L27-V57 HydrophobicContact CG-CG2 4.19Å |
| 28 | R | 96 | Very high | 95.4 | Very high | 141 Ų | 141 | 71 Ų | 71 | 53% | 0.532 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.7 | -48.2 | 174.7 | -172.5 | -179.1 | -178.4 | 169.1 | 3.2 | 111.6 | D24 S25 Y30 F31 E32 I37 A40 | D24-R28 VanDerWaalsContact O-CB 3.3Å; D24-R28 WeakPolarHBondContact O-CB 3.35Å; D24-R28 PolarHBondContact O-N 3.15Å; S25-R28 PolarHBondContact O-N 2.79Å; R28-Y30 VanDerWaalsContact C-N 3.25Å; R28-Y30 PolarHBondContact O-N 3.07Å; R28-F31 PolarHBondContact O-N 2.76Å; R28-F31 VanDerWaalsContact O-N 3.12Å; R28-E32 WeakPolarHBondContact O-CB 3.43Å; R28-E32 PolarHBondContact O-N 3.34Å; R28-I37 HydrophobicContact CB-CD1 4.28Å; R28-I37 HydrophobicContact CG-CB 4.48Å; R28-I37 HydrophobicContact CG-CD1 3.57Å; R28-I37 HydrophobicContact CG-CG2 4.45Å; R28-I37 WeakPolarHBondContact O-CD1 3.07Å; R28-A40 HydrophobicContact CB-CB 3.97Å; R28-A40 HydrophobicContact CG-CB 4.4Å |
| 29 | K | 95.7 | Very high | 95.3 | Very high | 158 Ų | 158 | 76.3 Ų | 76.3 | 69% | 0.687 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -58.7 | -36.7 | 179.2 | -175.8 | 173.4 | -178.6 | 173.2 | 0 | 112.6 | S25 S26 L27 | S25-K29 WeakPolarHBondContact O-CB 3.42Å; S25-K29 PolarHBondContact O-N 2.97Å; S26-K29 PolarHBondContact O-N 2.77Å; L27-K29 PolarHBondContact O-N 3.17Å |
| 30 | Y | 94.8 | Very high | 95.4 | Very high | 66 Ų | 66 | 76.8 Ų | 76.8 | 26% | 0.259 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | 175.7 | -178.2 | -94.2 | 0 | 0 | 0 | 112.1 | S26 L27 R28 V33 F34 P74 I76 | S26-Y30 PolarHBondContact O-N 2.84Å; L27-Y30 PolarHBondContact O-N 2.9Å; R28-Y30 VanDerWaalsContact C-N 3.25Å; R28-Y30 PolarHBondContact O-N 3.07Å; Y30-V33 VanDerWaalsContact O-CG2 3.28Å; Y30-V33 WeakPolarHBondContact O-CG2 3.49Å; Y30-F34 HydrophobicContact CD1-CE2 4.32Å; Y30-F34 AromaticContact CE1-CE2 3.78Å; Y30-F34 HydrophobicContact CE1-CE2 3.78Å; Y30-F34 HydrophobicContact CE1-CZ 4.34Å; Y30-P74 HydrophobicContact CE1-CB 4.16Å; Y30-P74 HydrophobicContact CE1-CG 4.34Å; Y30-P74 WeakPolarHBondContact OH-CB 3.35Å; Y30-I76 HydrophobicContact CD1-CD1 3.84Å; Y30-I76 HydrophobicContact CD1-CG1 3.97Å; Y30-I76 HydrophobicContact CD2-CG1 4.16Å; Y30-I76 HydrophobicContact CE1-CD1 4.03Å; Y30-I76 HydrophobicContact CE1-CG1 4.02Å; Y30-I76 HydrophobicContact CE2-CG1 4.2Å; Y30-I76 HydrophobicContact CG-CD1 4.3Å; Y30-I76 HydrophobicContact CG-CG1 4.07Å |
| 31 | F | 95.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 71.7 Ų | 71.7 | 0% | 0.004 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -81.6 | -16.7 | -175.7 | -77.4 | -83.4 | 0 | 0 | 0 | 114.4 | V15 L27 R28 V33 F34 I37 V57 A68 I76 V83 | V15-F31 HydrophobicContact CB-CZ 4.49Å; V15-F31 HydrophobicContact CG1-CE2 4.18Å; V15-F31 HydrophobicContact CG1-CZ 4.19Å; V15-F31 HydrophobicContact CG2-CE1 4.41Å; V15-F31 HydrophobicContact CG2-CE2 3.62Å; V15-F31 HydrophobicContact CG2-CZ 3.44Å; V15-F31 VanDerWaalsContact CG2-CZ 3.44Å; L27-F31 HydrophobicContact CG-CD2 4.21Å; L27-F31 HydrophobicContact CG-CE2 4.24Å; L27-F31 WeakPolarHBondContact O-CD2 3.12Å; L27-F31 PolarHBondContact O-N 2.81Å; L27-F31 VanDerWaalsContact O-N 3.16Å; R28-F31 PolarHBondContact O-N 2.76Å; R28-F31 VanDerWaalsContact O-N 3.12Å; F31-V33 PolarHBondContact O-N 2.82Å; F31-F34 AromaticContact CD1-CD2 3.94Å; F31-F34 HydrophobicContact CD1-CD2 3.94Å; F31-F34 HydrophobicContact CD1-CE2 4.22Å; F31-F34 PolarHBondContact O-N 3.25Å; F31-I37 HydrophobicContact CB-CD1 3.7Å; F31-I37 HydrophobicContact CB-CG1 4.37Å; F31-V57 HydrophobicContact CB-CG1 4.21Å; F31-V57 HydrophobicContact CD2-CG2 3.72Å; F31-V57 HydrophobicContact CE2-CG2 4.02Å; F31-V57 HydrophobicContact CG-CG1 4.31Å; F31-V57 HydrophobicContact CG-CG2 4.11Å; F31-A68 HydrophobicContact CD1-CB 3.96Å; F31-A68 HydrophobicContact CE1-CB 3.98Å; F31-I76 HydrophobicContact CE2-CD1 4.15Å; F31-I76 HydrophobicContact CZ-CD1 4.46Å; F31-V83 HydrophobicContact CE1-CG1 4.15Å; F31-V83 HydrophobicContact CZ-CG1 4.25Å; F31-V83 HydrophobicContact CZ-CG2 4.1Å |
| 32 | E | 95.8 | Very high | 95.5 | Very high | 128 Ų | 128 | 65.7 Ų | 65.7 | 60% | 0.598 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -57.7 | -30.6 | 178.2 | 179 | 179.3 | 162.8 | 0 | 0 | 112.2 | R28 F34 G35 I37 | R28-E32 WeakPolarHBondContact O-CB 3.43Å; R28-E32 PolarHBondContact O-N 3.34Å; E32-F34 PolarHBondContact O-N 3.34Å; E32-G35 PolarHBondContact O-N 3.4Å; E32-G35 VanDerWaalsContact O-N 3.15Å; E32-I37 HydrophobicContact CB-CD1 4.38Å |
| 33 | V | 94.9 | Very high | 95.6 | Very high | 108 Ų | 108 | 67.6 Ų | 67.6 | 66% | 0.655 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -64.3 | -23.4 | 178.2 | -50.8 | 0 | 0 | 0 | 0 | 113 | Y30 F31 | Y30-V33 VanDerWaalsContact O-CG2 3.28Å; Y30-V33 WeakPolarHBondContact O-CG2 3.49Å; F31-V33 PolarHBondContact O-N 2.82Å |
| 34 | F | 94.8 | Very high | 95.6 | Very high | 46 Ų | 46 | 68.2 Ų | 68.2 | 20% | 0.202 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -91.7 | -14.3 | 178.9 | -54.8 | -71.5 | 0 | 0 | 0 | 112.8 | Y30 F31 E32 A64 R67 A68 | Y30-F34 HydrophobicContact CD1-CE2 4.32Å; Y30-F34 AromaticContact CE1-CE2 3.78Å; Y30-F34 HydrophobicContact CE1-CE2 3.78Å; Y30-F34 HydrophobicContact CE1-CZ 4.34Å; F31-F34 AromaticContact CD1-CD2 3.94Å; F31-F34 HydrophobicContact CD1-CD2 3.94Å; F31-F34 HydrophobicContact CD1-CE2 4.22Å; F31-F34 PolarHBondContact O-N 3.25Å; E32-F34 PolarHBondContact O-N 3.34Å; F34-A64 VanDerWaalsContact O-CB 3.3Å; F34-A64 WeakPolarHBondContact O-CB 3.49Å; F34-R67 HydrophobicContact CD1-CB 4.37Å; F34-R67 PolarHBondContact O-NE 2.96Å; F34-R67 PolarHBondContact O-NH2 3.31Å; F34-A68 HydrophobicContact CB-CB 4.24Å; F34-A68 HydrophobicContact CD2-CB 3.96Å; F34-A68 HydrophobicContact CG-CB 4Å |
| 35 | G | 94.9 | Very high | 95.6 | Very high | 17 Ų | 17 | 66.8 Ų | 66.8 | 18% | 0.175 | 34% | 0.342 | C | S | . | . | S | Bend | trans | 150.4 | -174.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E32 | E32-G35 PolarHBondContact O-N 3.4Å; E32-G35 VanDerWaalsContact O-N 3.15Å |
| 36 | E | 96.4 | Very high | 95.5 | Very high | 138 Ų | 138 | 74.8 Ų | 74.8 | 65% | 0.645 | 36% | 0.36 | S | S | * | . | trans | -72.3 | 136.4 | 180 | -165.4 | 177.4 | 174.4 | 0 | 0 | 111.6 | V60 | E36-V60 HydrophobicContact CB-CB 4.19Å; E36-V60 HydrophobicContact CB-CG2 3.94Å; E36-V60 HydrophobicContact CG-CG2 3.78Å; E36-V60 PolarHBondContact O-N 3.28Å | ||
| 37 | I | 96.4 | Very high | 95.6 | Very high | 13 Ų | 13 | 81.2 Ų | 81.2 | 7% | 0.067 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124.9 | -176.9 | -62.2 | 167.6 | 0 | 0 | 0 | 109 | R28 F31 E32 A40 V57 M59 | R28-I37 HydrophobicContact CB-CD1 4.28Å; R28-I37 HydrophobicContact CG-CB 4.48Å; R28-I37 HydrophobicContact CG-CD1 3.57Å; R28-I37 HydrophobicContact CG-CG2 4.45Å; R28-I37 WeakPolarHBondContact O-CD1 3.07Å; F31-I37 HydrophobicContact CB-CD1 3.7Å; F31-I37 HydrophobicContact CB-CG1 4.37Å; E32-I37 HydrophobicContact CB-CD1 4.38Å; I37-A40 HydrophobicContact CG2-CB 4.1Å; I37-V57 HydrophobicContact CG1-CG1 4.31Å; I37-V57 HydrophobicContact CG2-CG1 3.98Å; I37-M59 HydrophobicContact CG1-CE 3.99Å; I37-M59 HydrophobicContact CG1-SD 3.92Å |
| 38 | E | 95.6 | Very high | 95.5 | Very high | 90 Ų | 90 | 85 Ų | 85 | 42% | 0.421 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -46.3 | 172.9 | -176.5 | 169.5 | -174.3 | 0 | 0 | 110.5 | K6 T58 V60 | K6-E38 WeakPolarHBondContact CD-OE1 2.99Å; K6-E38 IonicContact NZ-OE1 3.07Å; K6-E38 PolarHBondContact NZ-OE1 3.48Å; K6-E38 VanDerWaalsContact NZ-OE1 3.07Å; K6-E38 IonicContact NZ-OE2 2.71Å; K6-E38 PolarHBondContact NZ-OE2 2.74Å; E38-T58 HydrophobicContact CB-CG2 4.17Å; E38-T58 WeakPolarHBondContact CB-O 3.32Å; E38-T58 HydrophobicContact CG-CG2 4.49Å; E38-T58 PolarHBondContact N-O 2.82Å; E38-V60 HydrophobicContact CB-CG2 4.04Å |
| 39 | E | 95.3 | Very high | 95.4 | Very high | 110 Ų | 110 | 80.9 Ų | 80.9 | 51% | 0.514 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 138.4 | -178.5 | -164.4 | -173.4 | -165.2 | 0 | 0 | 111.1 | V41 V57 T58 | E39-V41 HydrophobicContact CG-CG2 3.84Å; E39-V57 CarbonylContact O-C 3.48Å; E39-V57 WeakPolarHBondContact O-CA 3.29Å; E39-T58 PolarHBondContact N-O 3.47Å; E39-T58 PolarHBondContact O-N 3.09Å |
| 40 | A | 96.3 | Very high | 95.3 | Very high | 19 Ų | 19 | 80.5 Ų | 80.5 | 16% | 0.157 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 120.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | L27 R28 I37 | L27-A40 HydrophobicContact CD2-CB 3.81Å; R28-A40 HydrophobicContact CB-CB 3.97Å; R28-A40 HydrophobicContact CG-CB 4.4Å; I37-A40 HydrophobicContact CG2-CB 4.1Å |
| 41 | V | 96.1 | Very high | 95.4 | Very high | 56 Ų | 56 | 78 Ų | 78 | 34% | 0.339 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 123.3 | -175.4 | -172.4 | 0 | 0 | 0 | 0 | 110.5 | E39 I43 G55 F56 | E39-V41 HydrophobicContact CG-CG2 3.84Å; V41-I43 HydrophobicContact CG1-CD1 4.15Å; V41-G55 CarbonylContact O-C 3.54Å; V41-G55 WeakPolarHBondContact O-CA 3.39Å; V41-F56 PolarHBondContact N-O 3.16Å; V41-F56 PolarHBondContact O-N 2.95Å |
| 42 | V | 96.7 | Very high | 95.4 | Very high | 15 Ų | 15 | 84.6 Ų | 84.6 | 9% | 0.091 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 127.9 | 166.7 | 176.9 | 0 | 0 | 0 | 0 | 108.3 | L18 L27 T44 S51 | L18-V42 HydrophobicContact CD1-CG2 4.47Å; L27-V42 HydrophobicContact CB-CG2 4.37Å; L27-V42 HydrophobicContact CD1-CG2 4.19Å; V42-T44 PolarHBondContact O-N 3.36Å; V42-S51 VanDerWaalsContact CG1-OG 3.29Å; V42-S51 WeakPolarHBondContact CG1-OG 3.43Å |
| 43 | I | 95.8 | Very high | 95.3 | Very high | 46 Ų | 46 | 78.8 Ų | 78.8 | 24% | 0.236 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 118.9 | 179.2 | -54.5 | -56.8 | 0 | 0 | 0 | 109 | V41 R52 Y54 F56 | V41-I43 HydrophobicContact CG1-CD1 4.15Å; I43-R52 WeakPolarHBondContact O-CB 3.14Å; I43-R52 PolarHBondContact O-N 2.96Å; I43-Y54 HydrophobicContact CB-CD2 4.23Å; I43-Y54 HydrophobicContact CB-CE1 4.32Å; I43-Y54 HydrophobicContact CB-CE2 3.7Å; I43-Y54 HydrophobicContact CG1-CD2 4Å; I43-Y54 HydrophobicContact CG1-CE2 3.47Å; I43-Y54 VanDerWaalsContact CG1-CE2 3.47Å; I43-Y54 HydrophobicContact CG2-CE1 4.48Å; I43-Y54 HydrophobicContact CG2-CE2 4.19Å; I43-Y54 WeakPolarHBondContact CG2-OH 3.36Å; I43-Y54 PolarHBondContact N-O 2.84Å; I43-F56 HydrophobicContact CD1-CD2 4.19Å; I43-F56 HydrophobicContact CD1-CE2 4.45Å; I43-F56 HydrophobicContact CG1-CD2 4.1Å; I43-F56 HydrophobicContact CG1-CE2 4.12Å |
| 44 | T | 95.8 | Very high | 95.4 | Very high | 76 Ų | 76 | 76 Ų | 76 | 47% | 0.466 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 156.8 | 172.7 | 56.3 | 0 | 0 | 0 | 0 | 110.7 | V42 K50 | V42-T44 PolarHBondContact O-N 3.36Å; T44-K50 CarbonylContact C-O 3.57Å; T44-K50 VanDerWaalsContact CA-O 3.23Å; T44-K50 WeakPolarHBondContact CA-O 3.19Å; T44-K50 WeakPolarHBondContact CB-O 3.27Å |
| 45 | D | 95.5 | Very high | 95.5 | Very high | 55 Ų | 55 | 73.8 Ų | 73.8 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 129.2 | 168.7 | 172 | 18.1 | 0 | 0 | 0 | 109.5 | Q47 T48 G49 K50 R52 | D45-Q47 VanDerWaalsContact C-N 3.26Å; D45-Q47 PolarHBondContact O-N 3.43Å; D45-Q47 PolarHBondContact OD1-N 2.85Å; D45-T48 WeakPolarHBondContact CB-OG1 3.49Å; D45-T48 WeakPolarHBondContact OD2-CB 3.44Å; D45-T48 WeakPolarHBondContact OD2-CG2 3.3Å; D45-T48 PolarHBondContact OD2-N 3.46Å; D45-T48 PolarHBondContact OD2-OG1 3.11Å; D45-G49 WeakPolarHBondContact O-CA 3.3Å; D45-G49 PolarHBondContact O-N 3.03Å; D45-K50 PolarHBondContact N-O 3.43Å; D45-R52 HydrophobicContact CB-CG 4.31Å |
| 46 | R | 93.8 | Very high | 95.6 | Very high | 242 Ų | 242 | 75.7 Ų | 75.7 | 91% | 0.913 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -27.1 | -178 | -173.2 | 175.1 | 64.8 | -178.4 | 0.2 | 112.9 | ||
| 47 | Q | 95.5 | Very high | 95.6 | Very high | 180 Ų | 180 | 69.1 Ų | 69.1 | 84% | 0.841 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -46.3 | -179.7 | -66.1 | -172.3 | -4.3 | 0 | 0 | 111.9 | D45 | D45-Q47 VanDerWaalsContact C-N 3.26Å; D45-Q47 PolarHBondContact O-N 3.43Å; D45-Q47 PolarHBondContact OD1-N 2.85Å |
| 48 | T | 94.3 | Very high | 95.6 | Very high | 80 Ų | 80 | 68.8 Ų | 68.8 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -13.9 | -173.5 | 63.2 | 0 | 0 | 0 | 0 | 114.1 | D45 K50 | D45-T48 WeakPolarHBondContact CB-OG1 3.49Å; D45-T48 WeakPolarHBondContact OD2-CB 3.44Å; D45-T48 WeakPolarHBondContact OD2-CG2 3.3Å; D45-T48 PolarHBondContact OD2-N 3.46Å; D45-T48 PolarHBondContact OD2-OG1 3.11Å; T48-K50 PolarHBondContact O-N 3.03Å; T48-K50 VanDerWaalsContact O-N 3.15Å; T48-K50 PolarHBondContact OG1-N 3.16Å |
| 49 | G | 93.5 | Very high | 95.6 | Very high | 54 Ų | 54 | 64.5 Ų | 64.5 | 56% | 0.557 | 32% | 0.32 | S | S | * | . | trans | 69.2 | -0.6 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | D45 | D45-G49 WeakPolarHBondContact O-CA 3.3Å; D45-G49 PolarHBondContact O-N 3.03Å | ||
| 50 | K | 93.9 | Very high | 95.7 | Very high | 150 Ų | 150 | 61.7 Ų | 61.7 | 65% | 0.652 | 31% | 0.31 | S | S | * | . | trans | -79.6 | 146 | -175.9 | -62.7 | -174.1 | 179.4 | -168.7 | 0 | 111 | T44 D45 T48 R52 | T44-K50 CarbonylContact C-O 3.57Å; T44-K50 VanDerWaalsContact CA-O 3.23Å; T44-K50 WeakPolarHBondContact CA-O 3.19Å; T44-K50 WeakPolarHBondContact CB-O 3.27Å; D45-K50 PolarHBondContact N-O 3.43Å; T48-K50 PolarHBondContact O-N 3.03Å; T48-K50 VanDerWaalsContact O-N 3.15Å; T48-K50 PolarHBondContact OG1-N 3.16Å; K50-R52 PolarHBondContact O-N 3.26Å | ||
| 51 | S | 95.9 | Very high | 95.6 | Very high | 14 Ų | 14 | 64.7 Ų | 64.7 | 10% | 0.098 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 135.9 | 173.1 | 176.9 | 0 | 0 | 0 | 0 | 111 | Y20 V42 G53 | Y20-S51 WeakPolarHBondContact CD1-O 3.46Å; Y20-S51 VanDerWaalsContact O-CB 3.24Å; Y20-S51 WeakPolarHBondContact O-CB 3.07Å; V42-S51 VanDerWaalsContact CG1-OG 3.29Å; V42-S51 WeakPolarHBondContact CG1-OG 3.43Å; S51-G53 PolarHBondContact O-N 3.29Å; S51-G53 PolarHBondContact OG-N 3.24Å; S51-G53 VanDerWaalsContact OG-N 3.11Å |
| 52 | R | 95.4 | Very high | 95.6 | Very high | 140 Ų | 140 | 68.7 Ų | 68.7 | 53% | 0.528 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 3.3 | 173.2 | -61.3 | -173.8 | 63.5 | -171.4 | -7.3 | 112.7 | I43 D45 K50 Y54 | I43-R52 WeakPolarHBondContact O-CB 3.14Å; I43-R52 PolarHBondContact O-N 2.96Å; D45-R52 HydrophobicContact CB-CG 4.31Å; K50-R52 PolarHBondContact O-N 3.26Å; R52-Y54 VanDerWaalsContact C-N 3.31Å; R52-Y54 HydrophobicContact CB-CD1 3.65Å; R52-Y54 HydrophobicContact CB-CE1 3.4Å; R52-Y54 HydrophobicContact CG-CE1 4.26Å; R52-Y54 PolarHBondContact NH1-OH 2.74Å |
| 53 | G | 95.6 | Very high | 95.5 | Very high | 6 Ų | 6 | 71.1 Ų | 71.1 | 6% | 0.062 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.5 | 20.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G17 L18 S51 | G17-G53 PolarHBondContact N-O 2.94Å; L18-G53 PolarHBondContact N-O 2.98Å; L18-G53 WeakPolarHBondContact O-CA 3.24Å; S51-G53 PolarHBondContact O-N 3.29Å; S51-G53 PolarHBondContact OG-N 3.24Å; S51-G53 VanDerWaalsContact OG-N 3.11Å |
| 54 | Y | 96.6 | Very high | 95.5 | Very high | 49 Ų | 49 | 69 Ų | 69 | 19% | 0.192 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 159.2 | 172.2 | 73.5 | -87.1 | 0 | 0 | 0 | 111.4 | F14 V15 I43 R52 F56 | F14-Y54 AromaticContact CE2-CD2 3.92Å; F14-Y54 HydrophobicContact CE2-CD2 3.92Å; F14-Y54 HydrophobicContact CE2-CG 4.2Å; V15-Y54 CarbonylContact O-C 3.53Å; V15-Y54 WeakPolarHBondContact O-CA 3.41Å; V15-Y54 WeakPolarHBondContact O-CB 3.4Å; I43-Y54 HydrophobicContact CB-CD2 4.23Å; I43-Y54 HydrophobicContact CB-CE1 4.32Å; I43-Y54 HydrophobicContact CB-CE2 3.7Å; I43-Y54 HydrophobicContact CG1-CD2 4Å; I43-Y54 HydrophobicContact CG1-CE2 3.47Å; I43-Y54 VanDerWaalsContact CG1-CE2 3.47Å; I43-Y54 HydrophobicContact CG2-CE1 4.48Å; I43-Y54 HydrophobicContact CG2-CE2 4.19Å; I43-Y54 WeakPolarHBondContact CG2-OH 3.36Å; I43-Y54 PolarHBondContact N-O 2.84Å; R52-Y54 VanDerWaalsContact C-N 3.31Å; R52-Y54 HydrophobicContact CB-CD1 3.65Å; R52-Y54 HydrophobicContact CB-CE1 3.4Å; R52-Y54 HydrophobicContact CG-CE1 4.26Å; R52-Y54 PolarHBondContact NH1-OH 2.74Å; Y54-F56 HydrophobicContact CD2-CE2 4.29Å; Y54-F56 AromaticContact CE2-CE2 3.98Å; Y54-F56 HydrophobicContact CE2-CE2 3.98Å; Y54-F56 HydrophobicContact CE2-CZ 4.47Å |
| 55 | G | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 177.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V15 V41 | V15-G55 PolarHBondContact N-O 3.12Å; V15-G55 PolarHBondContact O-N 2.95Å; V41-G55 CarbonylContact O-C 3.54Å; V41-G55 WeakPolarHBondContact O-CA 3.39Å |
| 56 | F | 96.7 | Very high | 95.5 | Very high | 56 Ų | 56 | 66.2 Ų | 66.2 | 25% | 0.246 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 141.1 | 173.6 | -64.7 | -80.5 | 0 | 0 | 0 | 110 | K12 I13 F14 V41 I43 Y54 A86 | K12-F56 HydrophobicContact CG-CD1 4.48Å; I13-F56 VanDerWaalsContact O-CA 3.29Å; I13-F56 WeakPolarHBondContact O-CA 3.5Å; F14-F56 HydrophobicContact CB-CD1 4.37Å; F14-F56 HydrophobicContact CB-CE1 4.14Å; F14-F56 HydrophobicContact CD2-CD1 4.48Å; F14-F56 AromaticContact CD2-CE1 3.85Å; F14-F56 HydrophobicContact CD2-CE1 3.85Å; F14-F56 HydrophobicContact CD2-CZ 4.15Å; V41-F56 PolarHBondContact N-O 3.16Å; V41-F56 PolarHBondContact O-N 2.95Å; I43-F56 HydrophobicContact CD1-CD2 4.19Å; I43-F56 HydrophobicContact CD1-CE2 4.45Å; I43-F56 HydrophobicContact CG1-CD2 4.1Å; I43-F56 HydrophobicContact CG1-CE2 4.12Å; Y54-F56 HydrophobicContact CD2-CE2 4.29Å; Y54-F56 AromaticContact CE2-CE2 3.98Å; Y54-F56 HydrophobicContact CE2-CE2 3.98Å; Y54-F56 HydrophobicContact CE2-CZ 4.47Å; F56-A86 HydrophobicContact CD1-CB 4.13Å; F56-A86 HydrophobicContact CE1-CB 4.15Å |
| 57 | V | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 126.4 | 172.4 | -175.4 | 0 | 0 | 0 | 0 | 108 | K12 I13 V15 L27 F31 I37 E39 M59 | K12-V57 CarbonylContact C-O 3.46Å; K12-V57 WeakPolarHBondContact CA-O 3.32Å; I13-V57 HydrophobicContact CB-CB 4.43Å; I13-V57 PolarHBondContact N-O 3.36Å; I13-V57 PolarHBondContact O-N 3.45Å; V15-V57 HydrophobicContact CG2-CG2 4.13Å; L27-V57 HydrophobicContact CD2-CG2 3.26Å; L27-V57 HydrophobicContact CG-CG2 4.19Å; F31-V57 HydrophobicContact CB-CG1 4.21Å; F31-V57 HydrophobicContact CD2-CG2 3.72Å; F31-V57 HydrophobicContact CE2-CG2 4.02Å; F31-V57 HydrophobicContact CG-CG1 4.31Å; F31-V57 HydrophobicContact CG-CG2 4.11Å; I37-V57 HydrophobicContact CG1-CG1 4.31Å; I37-V57 HydrophobicContact CG2-CG1 3.98Å; E39-V57 CarbonylContact O-C 3.48Å; E39-V57 WeakPolarHBondContact O-CA 3.29Å; V57-M59 HydrophobicContact CG1-SD 3.55Å; V57-M59 VanDerWaalsContact CG1-SD 3.55Å |
| 58 | T | 96.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 115 | 170.6 | -52.5 | 0 | 0 | 0 | 0 | 107.3 | T8 E38 E39 | T8-T58 HydrophobicContact CG2-CG2 3.76Å; E38-T58 HydrophobicContact CB-CG2 4.17Å; E38-T58 WeakPolarHBondContact CB-O 3.32Å; E38-T58 HydrophobicContact CG-CG2 4.49Å; E38-T58 PolarHBondContact N-O 2.82Å; E39-T58 PolarHBondContact N-O 3.47Å; E39-T58 PolarHBondContact O-N 3.09Å |
| 59 | M | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 151.2 | 174.3 | -55 | -55.5 | -71.2 | 0 | 0 | 110.2 | T11 I13 I37 V57 D61 A64 A65 | T11-M59 WeakPolarHBondContact CB-O 3.28Å; T11-M59 PolarHBondContact O-N 2.97Å; I13-M59 HydrophobicContact CD1-CG 3.63Å; I13-M59 HydrophobicContact CD1-SD 4.14Å; I13-M59 HydrophobicContact CG1-CG 4.42Å; I37-M59 HydrophobicContact CG1-CE 3.99Å; I37-M59 HydrophobicContact CG1-SD 3.92Å; V57-M59 HydrophobicContact CG1-SD 3.55Å; V57-M59 VanDerWaalsContact CG1-SD 3.55Å; M59-D61 WeakPolarHBondContact CB-O 3.37Å; M59-A64 HydrophobicContact CB-CB 4.18Å; M59-A64 HydrophobicContact CE-CB 3.66Å; M59-A64 HydrophobicContact CG-CB 4.34Å; M59-A65 HydrophobicContact CB-CB 4.3Å; M59-A65 HydrophobicContact CG-CB 3.98Å |
| 60 | V | 95.6 | Very high | 95.6 | Very high | 52 Ų | 52 | 56.4 Ų | 56.4 | 32% | 0.315 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -66.6 | -44.2 | 171.4 | 177.3 | 0 | 0 | 0 | 0 | 110 | E36 E38 | E36-V60 HydrophobicContact CB-CB 4.19Å; E36-V60 HydrophobicContact CB-CG2 3.94Å; E36-V60 HydrophobicContact CG-CG2 3.78Å; E36-V60 PolarHBondContact O-N 3.28Å; E38-V60 HydrophobicContact CB-CG2 4.04Å |
| 61 | D | 95.3 | Very high | 95.6 | Very high | 81 Ų | 81 | 53.2 Ų | 53.2 | 43% | 0.433 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -104.1 | 140.6 | -178.3 | -67.2 | -47 | 0 | 0 | 0 | 112.8 | M59 S63 A64 A65 | M59-D61 WeakPolarHBondContact CB-O 3.37Å; D61-S63 VanDerWaalsContact C-N 3.31Å; D61-S63 PolarHBondContact O-N 3.07Å; D61-A64 HydrophobicContact CB-CB 4.14Å; D61-A64 WeakPolarHBondContact O-CB 3.33Å; D61-A64 PolarHBondContact O-N 2.82Å; D61-A65 PolarHBondContact O-N 2.94Å |
| 62 | R | 95.1 | Very high | 95.4 | Very high | 140 Ų | 140 | 55.2 Ų | 55.2 | 53% | 0.528 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.7 | -39 | 170.6 | 178.6 | -179.8 | 171.7 | -179.9 | 1.5 | 112.2 | T11 A64 A65 D66 | T11-R62 HydrophobicContact CG2-CB 4.28Å; R62-A64 PolarHBondContact O-N 2.73Å; R62-A65 WeakPolarHBondContact O-CB 3.49Å; R62-A65 PolarHBondContact O-N 2.74Å; R62-A65 VanDerWaalsContact O-N 3.1Å; R62-D66 IonicContact NE-OD2 3.82Å; R62-D66 PolarHBondContact O-N 3.24Å |
| 63 | S | 95.6 | Very high | 95.5 | Very high | 67 Ų | 67 | 52 Ų | 52 | 47% | 0.469 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.8 | -33.3 | 179.3 | 61 | 0 | 0 | 0 | 0 | 112.2 | D61 R67 | D61-S63 VanDerWaalsContact C-N 3.31Å; D61-S63 PolarHBondContact O-N 3.07Å; S63-R67 WeakPolarHBondContact O-CG 3.36Å; S63-R67 PolarHBondContact O-N 2.96Å; S63-R67 VanDerWaalsContact O-N 3.1Å |
| 64 | A | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.8 | -40.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F34 M59 D61 R62 R67 A68 | F34-A64 VanDerWaalsContact O-CB 3.3Å; F34-A64 WeakPolarHBondContact O-CB 3.49Å; M59-A64 HydrophobicContact CB-CB 4.18Å; M59-A64 HydrophobicContact CE-CB 3.66Å; M59-A64 HydrophobicContact CG-CB 4.34Å; D61-A64 HydrophobicContact CB-CB 4.14Å; D61-A64 WeakPolarHBondContact O-CB 3.33Å; D61-A64 PolarHBondContact O-N 2.82Å; R62-A64 PolarHBondContact O-N 2.73Å; A64-R67 PolarHBondContact O-N 2.95Å; A64-A68 WeakPolarHBondContact O-CB 3.43Å; A64-A68 PolarHBondContact O-N 3Å |
| 65 | A | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.4 | -44 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | I13 M59 D61 R62 R67 A68 C69 L85 | I13-A65 HydrophobicContact CD1-CB 3.99Å; I13-A65 HydrophobicContact CG1-CB 4.03Å; M59-A65 HydrophobicContact CB-CB 4.3Å; M59-A65 HydrophobicContact CG-CB 3.98Å; D61-A65 PolarHBondContact O-N 2.94Å; R62-A65 WeakPolarHBondContact O-CB 3.49Å; R62-A65 PolarHBondContact O-N 2.74Å; R62-A65 VanDerWaalsContact O-N 3.1Å; A65-R67 VanDerWaalsContact C-N 3.3Å; A65-R67 PolarHBondContact O-N 3.37Å; A65-A68 PolarHBondContact O-N 2.74Å; A65-C69 PolarHBondContact O-N 3.34Å; A65-L85 HydrophobicContact CB-CD2 4.38Å |
| 66 | D | 94.9 | Very high | 95.3 | Very high | 73 Ų | 73 | 55.5 Ų | 55.5 | 39% | 0.39 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.6 | -37.4 | 176.7 | -71.6 | -26.8 | 0 | 0 | 0 | 111.8 | R62 C69 K70 | R62-D66 IonicContact NE-OD2 3.82Å; R62-D66 PolarHBondContact O-N 3.24Å; D66-C69 PolarHBondContact O-N 3.29Å; D66-K70 PolarHBondContact O-N 2.95Å |
| 67 | R | 95.8 | Very high | 95 | Very high | 133 Ų | 133 | 56.5 Ų | 56.5 | 50% | 0.502 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 174 | -76.7 | -173.3 | -69.7 | 172.9 | -7 | 112.3 | F34 S63 A64 A65 C69 K70 | F34-R67 HydrophobicContact CD1-CB 4.37Å; F34-R67 PolarHBondContact O-NE 2.96Å; F34-R67 PolarHBondContact O-NH2 3.31Å; S63-R67 WeakPolarHBondContact O-CG 3.36Å; S63-R67 PolarHBondContact O-N 2.96Å; S63-R67 VanDerWaalsContact O-N 3.1Å; A64-R67 PolarHBondContact O-N 2.95Å; A65-R67 VanDerWaalsContact C-N 3.3Å; A65-R67 PolarHBondContact O-N 3.37Å; R67-C69 VanDerWaalsContact C-N 3.31Å; R67-C69 PolarHBondContact O-N 3.44Å; R67-K70 WeakPolarHBondContact O-CB 3.36Å; R67-K70 PolarHBondContact O-N 3.1Å |
| 68 | A | 94.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 60.1 Ų | 60.1 | 3% | 0.025 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.1 | -33.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I13 F31 F34 A64 A65 K70 | I13-A68 HydrophobicContact CD1-CB 3.72Å; F31-A68 HydrophobicContact CD1-CB 3.96Å; F31-A68 HydrophobicContact CE1-CB 3.98Å; F34-A68 HydrophobicContact CB-CB 4.24Å; F34-A68 HydrophobicContact CD2-CB 3.96Å; F34-A68 HydrophobicContact CG-CB 4Å; A64-A68 WeakPolarHBondContact O-CB 3.43Å; A64-A68 PolarHBondContact O-N 3Å; A65-A68 PolarHBondContact O-N 2.74Å; A68-K70 VanDerWaalsContact C-N 3.3Å |
| 69 | C | 94.3 | Very high | 94.8 | Very high | 32 Ų | 32 | 65.1 Ų | 65.1 | 22% | 0.216 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -3.9 | 175.1 | -69.8 | 0 | 0 | 0 | 0 | 114.2 | A65 D66 R67 D71 | A65-C69 PolarHBondContact O-N 3.34Å; D66-C69 PolarHBondContact O-N 3.29Å; R67-C69 VanDerWaalsContact C-N 3.31Å; R67-C69 PolarHBondContact O-N 3.44Å; C69-D71 VanDerWaalsContact C-N 3.32Å |
| 70 | K | 95.1 | Very high | 94.8 | Very high | 183 Ų | 183 | 72.1 Ų | 72.1 | 80% | 0.796 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -34.9 | 177.9 | -169.5 | 171.5 | -180 | 179 | 0 | 112.2 | D66 R67 A68 P72 | D66-K70 PolarHBondContact O-N 2.95Å; R67-K70 WeakPolarHBondContact O-CB 3.36Å; R67-K70 PolarHBondContact O-N 3.1Å; A68-K70 VanDerWaalsContact C-N 3.3Å; K70-P72 WeakPolarHBondContact O-CD 3.18Å |
| 71 | D | 93.3 | Very high | 94.9 | Very high | 83 Ų | 83 | 69.8 Ų | 69.8 | 44% | 0.444 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -104 | 103.5 | 167.7 | -176.8 | 3.7 | 0 | 0 | 0 | 109.1 | C69 N73 P74 | C69-D71 VanDerWaalsContact C-N 3.32Å; D71-N73 PolarHBondContact O-N 3.3Å; D71-N73 PolarHBondContact OD1-N 3.15Å; D71-P74 WeakPolarHBondContact O-CD 3.49Å |
| 72 | P | 92.9 | Very high | 94.9 | Very high | 55 Ų | 55 | 69 Ų | 69 | 36% | 0.357 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -73.2 | -14.4 | -179.1 | 29.9 | -35.2 | 0 | 0 | 0 | 112.9 | K70 P74 N82 V83 | K70-P72 WeakPolarHBondContact O-CD 3.18Å; P72-P74 VanDerWaalsContact C-CD 3.47Å; P72-N82 CarbonylContact O-C 3.57Å; P72-N82 VanDerWaalsContact O-CA 3.31Å; P72-N82 WeakPolarHBondContact O-CA 3.49Å; P72-V83 PolarHBondContact O-N 3.14Å |
| 73 | N | 96.1 | Very high | 94.9 | Very high | 74 Ų | 74 | 62.3 Ų | 62.3 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -131.4 | 57.9 | -173.7 | -60.5 | 125.7 | 0 | 0 | 0 | 114.6 | D71 K80 A81 | D71-N73 PolarHBondContact O-N 3.3Å; D71-N73 PolarHBondContact OD1-N 3.15Å; N73-K80 HydrophobicContact CB-CD 4.22Å; N73-K80 HydrophobicContact CB-CG 4.23Å; N73-A81 WeakPolarHBondContact CA-O 3.22Å; N73-A81 PolarHBondContact ND2-O 3.21Å |
| 74 | P | 94.9 | Very high | 94.9 | Very high | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.032 | 32% | 0.321 | C | S | . | . | trans | -71 | 159.5 | 178.8 | 29 | -32.9 | 0 | 0 | 0 | 112.7 | Y30 D71 P72 A81 V83 | Y30-P74 HydrophobicContact CE1-CB 4.16Å; Y30-P74 HydrophobicContact CE1-CG 4.34Å; Y30-P74 WeakPolarHBondContact OH-CB 3.35Å; D71-P74 WeakPolarHBondContact O-CD 3.49Å; P72-P74 VanDerWaalsContact C-CD 3.47Å; P74-A81 HydrophobicContact CG-CB 4.46Å; P74-A81 PolarHBondContact O-N 3.35Å; P74-V83 HydrophobicContact CG-CG2 3.39Å | ||
| 75 | I | 95.2 | Very high | 94.9 | Very high | 119 Ų | 119 | 62.9 Ų | 62.9 | 61% | 0.61 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 114 | 173.5 | -57.8 | 176.1 | 0 | 0 | 0 | 108.7 | R79 | I75-R79 WeakPolarHBondContact CA-O 3.33Å |
| 76 | I | 93.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.015 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 126 | 178.5 | -55.9 | 176.7 | 0 | 0 | 0 | 107.9 | V15 L18 Y30 F31 G78 R79 A81 | V15-I76 HydrophobicContact CG1-CD1 3.93Å; L18-I76 HydrophobicContact CD2-CB 4.28Å; L18-I76 HydrophobicContact CD2-CD1 3.88Å; L18-I76 HydrophobicContact CD2-CG2 4.13Å; Y30-I76 HydrophobicContact CD1-CD1 3.84Å; Y30-I76 HydrophobicContact CD1-CG1 3.97Å; Y30-I76 HydrophobicContact CD2-CG1 4.16Å; Y30-I76 HydrophobicContact CE1-CD1 4.03Å; Y30-I76 HydrophobicContact CE1-CG1 4.02Å; Y30-I76 HydrophobicContact CE2-CG1 4.2Å; Y30-I76 HydrophobicContact CG-CD1 4.3Å; Y30-I76 HydrophobicContact CG-CG1 4.07Å; F31-I76 HydrophobicContact CE2-CD1 4.15Å; F31-I76 HydrophobicContact CZ-CD1 4.46Å; I76-G78 PolarHBondContact O-N 3.19Å; I76-G78 VanDerWaalsContact O-N 3.12Å; I76-R79 PolarHBondContact N-O 3.02Å; I76-R79 PolarHBondContact O-N 3.02Å; I76-R79 VanDerWaalsContact O-O 3.14Å; I76-A81 HydrophobicContact CD1-CB 3.86Å; I76-A81 HydrophobicContact CG1-CB 4.12Å |
| 77 | D | 91.4 | Very high | 94.7 | Very high | 77 Ų | 77 | 65 Ų | 65 | 41% | 0.412 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 38.5 | -179.7 | -66.4 | -30.3 | 0 | 0 | 0 | 113.2 | P19 R79 | P19-D77 HydrophobicContact CG-CB 3.99Å; D77-R79 VanDerWaalsContact C-N 3.33Å; D77-R79 PolarHBondContact O-N 3.37Å |
| 78 | G | 94 | Very high | 94.5 | Very high | 76 Ų | 76 | 63.8 Ų | 63.8 | 78% | 0.784 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 6.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | I76 | I76-G78 PolarHBondContact O-N 3.19Å; I76-G78 VanDerWaalsContact O-N 3.12Å |
| 79 | R | 95.1 | Very high | 94.1 | Very high | 112 Ų | 112 | 66.5 Ų | 66.5 | 42% | 0.423 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 139.4 | 176.1 | -171.4 | 174.6 | -173.8 | -165.7 | 7.9 | 111.3 | G17 L18 P19 I75 I76 D77 A81 | G17-R79 WeakPolarHBondContact O-CD 3.42Å; G17-R79 WeakPolarHBondContact O-CG 3.43Å; G17-R79 PolarHBondContact O-NE 3.38Å; L18-R79 PolarHBondContact O-NH1 2.77Å; P19-R79 HydrophobicContact CG-CB 3.59Å; P19-R79 HydrophobicContact CG-CG 4.46Å; I75-R79 WeakPolarHBondContact CA-O 3.33Å; I76-R79 PolarHBondContact N-O 3.02Å; I76-R79 PolarHBondContact O-N 3.02Å; I76-R79 VanDerWaalsContact O-O 3.14Å; D77-R79 VanDerWaalsContact C-N 3.33Å; D77-R79 PolarHBondContact O-N 3.37Å; R79-A81 PolarHBondContact O-N 2.84Å |
| 80 | K | 96.6 | Very high | 93.4 | Very high | 147 Ų | 147 | 68 Ų | 68 | 64% | 0.639 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 116.4 | 174 | -168.2 | 174.8 | 72.7 | 174.6 | 0 | 110.1 | N73 | N73-K80 HydrophobicContact CB-CD 4.22Å; N73-K80 HydrophobicContact CB-CG 4.23Å |
| 81 | A | 96.6 | Very high | 92.4 | Very high | 3 Ų | 3 | 68.1 Ų | 68.1 | 3% | 0.025 | 38% | 0.378 | C | S | . | . | trans | -94.2 | 172.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V15 G16 L18 N73 P74 I76 R79 | V15-A81 HydrophobicContact CG1-CB 4.46Å; G16-A81 CarbonylContact O-C 3.45Å; G16-A81 WeakPolarHBondContact O-CA 3.3Å; G16-A81 WeakPolarHBondContact O-CB 3.21Å; L18-A81 HydrophobicContact CD2-CB 4.48Å; N73-A81 WeakPolarHBondContact CA-O 3.22Å; N73-A81 PolarHBondContact ND2-O 3.21Å; P74-A81 HydrophobicContact CG-CB 4.46Å; P74-A81 PolarHBondContact O-N 3.35Å; I76-A81 HydrophobicContact CD1-CB 3.86Å; I76-A81 HydrophobicContact CG1-CB 4.12Å; R79-A81 PolarHBondContact O-N 2.84Å | ||
| 82 | N | 95.7 | Very high | 91 | Very high | 63 Ų | 63 | 70 Ų | 70 | 34% | 0.337 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 126.3 | 172.2 | 180 | -38.8 | 0 | 0 | 0 | 108.4 | V15 G16 P72 N84 | V15-N82 CarbonylContact C-O 3.57Å; V15-N82 WeakPolarHBondContact CA-O 3Å; G16-N82 PolarHBondContact N-O 2.99Å; G16-N82 PolarHBondContact O-N 3.28Å; P72-N82 CarbonylContact O-C 3.57Å; P72-N82 VanDerWaalsContact O-CA 3.31Å; P72-N82 WeakPolarHBondContact O-CA 3.49Å; N82-N84 PolarHBondContact OD1-ND2 3.02Å |
| 83 | V | 96.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.006 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.3 | -178.1 | -170.4 | 0 | 0 | 0 | 0 | 109.4 | I13 F14 V15 F31 P72 P74 | I13-V83 HydrophobicContact CG2-CG1 3.25Å; F14-V83 WeakPolarHBondContact O-CA 3.34Å; V15-V83 HydrophobicContact CG1-CG2 4.37Å; F31-V83 HydrophobicContact CE1-CG1 4.15Å; F31-V83 HydrophobicContact CZ-CG1 4.25Å; F31-V83 HydrophobicContact CZ-CG2 4.1Å; P72-V83 PolarHBondContact O-N 3.14Å; P74-V83 HydrophobicContact CG-CG2 3.39Å |
| 84 | N | 95.7 | Very high | 87.6 | Confident | 61 Ų | 61 | 81.1 Ų | 81.1 | 33% | 0.326 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 156.6 | 179.4 | -85.9 | -58.1 | 0 | 0 | 0 | 110.6 | I13 F14 N82 A86 | I13-N84 CarbonylContact C-O 3.47Å; I13-N84 WeakPolarHBondContact CA-O 3.33Å; I13-N84 WeakPolarHBondContact CG2-O 3.48Å; F14-N84 PolarHBondContact N-O 2.94Å; F14-N84 PolarHBondContact O-N 2.88Å; N82-N84 PolarHBondContact OD1-ND2 3.02Å; N84-A86 PolarHBondContact O-N 3.09Å |
| 85 | L | 95.4 | Very high | 85.5 | Confident | 18 Ų | 18 | 88.6 Ų | 88.6 | 9% | 0.094 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 131.9 | 169.4 | -65.4 | 171.7 | 0 | 0 | 0 | 109.5 | A65 Y87 L88 | A65-L85 HydrophobicContact CB-CD2 4.38Å; L85-Y87 HydrophobicContact CB-CD1 3.57Å; L85-Y87 HydrophobicContact CB-CE1 3.32Å; L85-Y87 HydrophobicContact CD1-CD1 4.45Å; L85-Y87 HydrophobicContact CD1-CE1 3.46Å; L85-Y87 VanDerWaalsContact CD1-CE1 3.46Å; L85-Y87 HydrophobicContact CG-CE1 3.96Å; L85-Y87 PolarHBondContact O-N 2.86Å; L85-Y87 VanDerWaalsContact O-N 3.14Å; L85-L88 HydrophobicContact CB-CD1 4.15Å; L85-L88 HydrophobicContact CB-CG 4.33Å; L85-L88 WeakPolarHBondContact O-CB 3.33Å; L85-L88 PolarHBondContact O-N 3.32Å |
| 86 | A | 94.2 | Very high | 83.4 | Confident | 12 Ų | 12 | 91.4 Ų | 91.4 | 10% | 0.099 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -62.9 | -29 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K12 F14 F56 N84 L88 G89 A90 | K12-A86 HydrophobicContact CB-CB 4.03Å; K12-A86 HydrophobicContact CD-CB 4.13Å; K12-A86 HydrophobicContact CG-CB 3.71Å; K12-A86 WeakPolarHBondContact O-CB 3.41Å; K12-A86 PolarHBondContact O-N 2.73Å; F14-A86 HydrophobicContact CB-CB 4.38Å; F56-A86 HydrophobicContact CD1-CB 4.13Å; F56-A86 HydrophobicContact CE1-CB 4.15Å; N84-A86 PolarHBondContact O-N 3.09Å; A86-L88 PolarHBondContact O-N 2.79Å; A86-G89 PolarHBondContact O-N 2.98Å; A86-A90 WeakPolarHBondContact O-CB 3.31Å; A86-A90 PolarHBondContact O-N 2.9Å; A86-A90 VanDerWaalsContact O-N 3.09Å |
| 87 | Y | 92.7 | Very high | 81.2 | Confident | 105 Ų | 105 | 95.8 Ų | 95.8 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -24.8 | 176.8 | 75.7 | -95.6 | 0 | 0 | 0 | 113.2 | T9 Y10 L85 | T9-Y87 HydrophobicContact CG2-CD1 4.27Å; T9-Y87 HydrophobicContact CG2-CG 4.26Å; T9-Y87 VanDerWaalsContact O-CD1 3.24Å; T9-Y87 WeakPolarHBondContact O-CD1 3.23Å; Y10-Y87 HydrophobicContact CD1-CE1 4.15Å; Y10-Y87 HydrophobicContact CE1-CE1 4.37Å; L85-Y87 HydrophobicContact CB-CD1 3.57Å; L85-Y87 HydrophobicContact CB-CE1 3.32Å; L85-Y87 HydrophobicContact CD1-CD1 4.45Å; L85-Y87 HydrophobicContact CD1-CE1 3.46Å; L85-Y87 VanDerWaalsContact CD1-CE1 3.46Å; L85-Y87 HydrophobicContact CG-CE1 3.96Å; L85-Y87 PolarHBondContact O-N 2.86Å; L85-Y87 VanDerWaalsContact O-N 3.14Å |
| 88 | L | 91.4 | Very high | 79.5 | Confident | 107 Ų | 107 | 95.9 Ų | 95.9 | 56% | 0.56 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.3 | -35.5 | 179.6 | -63.7 | 171.4 | 0 | 0 | 0 | 112.1 | L85 A86 | L85-L88 HydrophobicContact CB-CD1 4.15Å; L85-L88 HydrophobicContact CB-CG 4.33Å; L85-L88 WeakPolarHBondContact O-CB 3.33Å; L85-L88 PolarHBondContact O-N 3.32Å; A86-L88 PolarHBondContact O-N 2.79Å |
| 89 | G | 85.1 | Confident | 77.3 | Confident | 60 Ų | 60 | 100.5 Ų | 100.5 | 62% | 0.619 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -95.7 | -12 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | A86 K91 | A86-G89 PolarHBondContact O-N 2.98Å; G89-K91 VanDerWaalsContact C-N 3.31Å; G89-K91 PolarHBondContact O-N 3.12Å |
| 90 | A | 79.4 | Confident | 75.3 | Confident | 65 Ų | 65 | 100.3 Ų | 100.3 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | trans | -71.9 | 85.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110 | A86 | A86-A90 WeakPolarHBondContact O-CB 3.31Å; A86-A90 PolarHBondContact O-N 2.9Å; A86-A90 VanDerWaalsContact O-N 3.09Å | ||
| 91 | K | 73.9 | Confident | 72.8 | Confident | 185 Ų | 185 | 102.3 Ų | 102.3 | 80% | 0.804 | 56% | 0.563 | S | S | * | * | trans | -50.4 | 129.4 | 158.1 | -61.9 | 174.8 | 176.4 | -175.3 | 0 | 106.4 | G89 R93 | G89-K91 VanDerWaalsContact C-N 3.31Å; G89-K91 PolarHBondContact O-N 3.12Å; K91-R93 VanDerWaalsContact C-N 3.3Å; K91-R93 PolarHBondContact O-N 3.23Å | ||
| 92 | P | 63.8 | Low | 70.6 | Confident | 121 Ų | 121 | 105.2 Ų | 105.2 | 79% | 0.786 | 59% | 0.594 | S | S | * | * | trans | -57.8 | 104.4 | 173 | 23.4 | -30.8 | 0 | 0 | 0 | 106 | V94 | P92-V94 PolarHBondContact O-N 3.49Š| ||
| 93 | R | 59.4 | Low | 68.6 | Low | 226 Ų | 226 | 108.1 Ų | 108.1 | 85% | 0.853 | 61% | 0.614 | S | S | * | * | trans | -66.6 | 95.1 | 165 | -90.8 | -172.4 | 172.1 | 156 | -2.8 | 103.3 | K91 M95 | K91-R93 VanDerWaalsContact C-N 3.3Å; K91-R93 PolarHBondContact O-N 3.23Å; R93-M95 PolarHBondContact O-N 3.46Å | ||
| 94 | V | 58.1 | Low | 66.3 | Low | 137 Ų | 137 | 113.1 Ų | 113.1 | 83% | 0.83 | 65% | 0.646 | S | S | * | * | trans | -53.5 | 94.4 | 149.8 | -117.1 | 0 | 0 | 0 | 0 | 103.4 | P92 Q96 | P92-V94 PolarHBondContact O-N 3.49Å; V94-Q96 PolarHBondContact O-N 3.29Å | ||
| 95 | M | 51.2 | Low | 64.1 | Low | 162 Ų | 162 | 117.5 Ų | 117.5 | 80% | 0.798 | 67% | 0.665 | S | S | * | * | trans | -58.9 | 95.7 | 164.3 | -175.3 | 88.1 | 97.3 | 0 | 0 | 102.4 | R93 P97 | R93-M95 PolarHBondContact O-N 3.46Å; M95-P97 VanDerWaalsContact C-N 3.34Å; M95-P97 WeakPolarHBondContact O-CD 3.48Å | ||
| 96 | Q | 50.7 | Low | 62.2 | Low | 178 Ų | 178 | 124 Ų | 124 | 83% | 0.832 | 70% | 0.698 | S | S | * | * | trans | -57.4 | 107.9 | 173.5 | -163.3 | 165.1 | 13.9 | 0 | 0 | 103.6 | V94 G98 | V94-Q96 PolarHBondContact O-N 3.29Å; Q96-G98 PolarHBondContact O-N 3.43Å | ||
| 97 | P | 49.4 | Very low | 60.1 | Low | 95 Ų | 95 | 130.6 Ų | 130.6 | 62% | 0.617 | 73% | 0.726 | S | S | * | * | trans | -66 | 111.6 | -179.6 | -9.6 | 26.1 | 0 | 0 | 0 | 103 | M95 F99 | M95-P97 VanDerWaalsContact C-N 3.34Å; M95-P97 WeakPolarHBondContact O-CD 3.48Å; P97-F99 HydrophobicContact CB-CD2 4.04Å; P97-F99 PolarHBondContact O-N 3.3Å | ||
| 98 | G | 55.5 | Low | 58 | Low | 79 Ų | 79 | 131.6 Ų | 131.6 | 81% | 0.814 | 75% | 0.745 | S | S | * | * | trans | -64.9 | 73 | 162.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q96 | Q96-G98 PolarHBondContact O-N 3.43Š| ||
| 99 | F | 46.6 | Very low | 55.9 | Low | 174 Ų | 174 | 130.4 Ų | 130.4 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | trans | -115.4 | 95 | 159.6 | -83.3 | -79.3 | 0 | 0 | 0 | 105.8 | P97 F101 | P97-F99 HydrophobicContact CB-CD2 4.04Å; P97-F99 PolarHBondContact O-N 3.3Å; F99-F101 PolarHBondContact O-N 3.1Å | ||
| 100 | A | 53.3 | Low | 54.4 | Low | 108 Ų | 108 | 136.8 Ų | 136.8 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | trans | -60.2 | 83.7 | 151.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | G102 | A100-G102 PolarHBondContact O-N 3.34Š| ||
| 101 | F | 45.1 | Very low | 53.3 | Low | 188 Ų | 188 | 141.6 Ų | 141.6 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -86.9 | 103.6 | 159.4 | -145.7 | -91.7 | 0 | 0 | 0 | 105.9 | F99 V103 | F99-F101 PolarHBondContact O-N 3.1Å; F101-V103 PolarHBondContact O-N 3.2Å; F101-V103 VanDerWaalsContact O-N 3.09Å | ||
| 102 | G | 50 | Low | 52.1 | Low | 65 Ų | 65 | 140.6 Ų | 140.6 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | trans | -57.4 | 112.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A100 | A100-G102 PolarHBondContact O-N 3.34Š| ||
| 103 | V | 52.4 | Low | 51.3 | Low | 124 Ų | 124 | 145.8 Ų | 145.8 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -98.1 | 118.5 | 141.8 | -172.9 | 0 | 0 | 0 | 0 | 104 | F101 Q105 | F101-V103 PolarHBondContact O-N 3.2Å; F101-V103 VanDerWaalsContact O-N 3.09Å; V103-Q105 PolarHBondContact O-N 3.48Å | ||
| 104 | P | 48.5 | Very low | 50.9 | Low | 105 Ų | 105 | 139.4 Ų | 139.4 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | trans | -60.5 | 113.6 | 168.4 | 25.9 | -28.8 | 0 | 0 | 0 | 106.1 | I106 | P104-I106 PolarHBondContact O-N 3.18Š| ||
| 105 | Q | 49 | Very low | 50.4 | Low | 154 Ų | 154 | 144 Ų | 144 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | -58.1 | 100 | 159.6 | -97.3 | -77.2 | -14.8 | 0 | 0 | 105.6 | V103 H107 | V103-Q105 PolarHBondContact O-N 3.48Å; Q105-H107 PolarHBondContact O-N 3.43Å; Q105-H107 PolarHBondContact O-ND1 3.22Å | ||
| 106 | I | 55.7 | Low | 50.4 | Low | 154 Ų | 154 | 139.7 Ų | 139.7 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -66.6 | 91 | 171.9 | 0.3 | 174.5 | 0 | 0 | 0 | 105.5 | P104 | P104-I106 PolarHBondContact O-N 3.18Š| ||
| 107 | H | 51.2 | Low | 50.2 | Low | 151 Ų | 151 | 139.5 Ų | 139.5 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | -57.3 | 132.2 | 163.8 | -48.9 | 106.1 | 0 | 0 | 0 | 107.1 | Q105 A109 | Q105-H107 PolarHBondContact O-N 3.43Å; Q105-H107 PolarHBondContact O-ND1 3.22Å; H107-A109 PolarHBondContact O-N 2.95Å | ||
| 108 | P | 47.9 | Very low | 50.6 | Low | 125 Ų | 125 | 140.3 Ų | 140.3 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -72.7 | 80.6 | 166.3 | 31.1 | -30.2 | 0 | 0 | 0 | 106.8 | F110 | P108-F110 PolarHBondContact O-N 3.36Š| ||
| 109 | A | 46.5 | Very low | 50.3 | Low | 82 Ų | 82 | 142.5 Ų | 142.5 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | -66.6 | 115.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107 | H107 I111 | H107-A109 PolarHBondContact O-N 2.95Å; A109-I111 PolarHBondContact O-N 3.39Å | ||
| 110 | F | 53.7 | Low | 50.3 | Low | 195 Ų | 195 | 142.4 Ų | 142.4 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | -47.1 | 98.8 | 167.3 | -88.3 | -105.3 | 0 | 0 | 0 | 110.5 | P108 Q112 | P108-F110 PolarHBondContact O-N 3.36Å; F110-Q112 PolarHBondContact O-N 3.3Å | ||
| 111 | I | 56.5 | Low | 50 | Low | 166 Ų | 166 | 147.7 Ų | 147.7 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -80.6 | 101.4 | 159.7 | -64.5 | 176.3 | 0 | 0 | 0 | 106 | A109 | A109-I111 PolarHBondContact O-N 3.39Š| ||
| 112 | Q | 49.5 | Very low | 50 | Low | 163 Ų | 163 | 145.2 Ų | 145.2 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -77.5 | 131.6 | 163.4 | -68.7 | -147.1 | 53.3 | 0 | 0 | 109.7 | F110 | F110-Q112 PolarHBondContact O-N 3.3Š| ||
| 113 | R | 46.9 | Very low | 49.8 | Very low | 231 Ų | 231 | 151.7 Ų | 151.7 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | 145.7 | 159.5 | 137.4 | -81.6 | -175.8 | 175.6 | -151.1 | -2 | 113.1 | ||||
| 114 | P | 51.3 | Low | 49.9 | Very low | 92 Ų | 92 | 151.5 Ų | 151.5 | 60% | 0.597 | 78% | 0.781 | S | S | * | * | cis | -142.4 | 71.3 | -43.4 | 39.1 | -19.7 | 0 | 0 | 0 | 111.2 | ||||
| 115 | Y | 46.5 | Very low | 49.8 | Very low | 234 Ų | 234 | 154.8 Ų | 154.8 | 92% | 0.918 | 79% | 0.787 | S | S | * | * | trans | -142.3 | 126.6 | 169 | -77.2 | -78.1 | 0 | 0 | 0 | 110.1 | ||||
| 116 | G | 51.9 | Low | 49.9 | Very low | 71 Ų | 71 | 151.5 Ų | 151.5 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | trans | -87.1 | 158.7 | -160.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 117 | I | 47.7 | Very low | 49.5 | Very low | 174 Ų | 174 | 153.9 Ų | 153.9 | 89% | 0.892 | 79% | 0.791 | S | S | * | * | trans | -172.5 | 145.7 | 142.3 | 31.8 | 177.3 | 0 | 0 | 0 | 107.8 | ||||
| 118 | P | 55.9 | Low | 49.4 | Very low | 111 Ų | 111 | 152.9 Ų | 152.9 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | trans | -96.6 | 161 | -165.6 | 39.2 | -35.1 | 0 | 0 | 0 | 114.1 | ||||
| 119 | T | 50.7 | Low | 49.4 | Very low | 125 Ų | 125 | 155 Ų | 155 | 77% | 0.767 | 80% | 0.795 | S | S | * | * | trans | 75.7 | 119.8 | 159.5 | 76.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 120 | H | 45.8 | Very low | 49.4 | Very low | 173 Ų | 173 | 156.9 Ų | 156.9 | 80% | 0.801 | 80% | 0.8 | S | S | * | * | -168.6 | 130.3 | 97 | -124.1 | -102 | 0 | 0 | 0 | 110.7 | V122 | H120-V122 PolarHBondContact O-N 2.89Š| |||
| 121 | Y | 47.8 | Very low | 48.9 | Very low | 219 Ų | 219 | 153 Ų | 153 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -66 | 113.9 | 169.4 | -93.6 | -96.9 | 0 | 0 | 0 | 109.1 | ||||
| 122 | V | 44.4 | Very low | 48.9 | Very low | 136 Ų | 136 | 151.2 Ų | 151.2 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -90.3 | 108.7 | 165.7 | 169.9 | 0 | 0 | 0 | 0 | 107.5 | H120 | H120-V122 PolarHBondContact O-N 2.89Š| ||
| 123 | Y | 46.1 | Very low | 49 | Very low | 201 Ų | 201 | 149.7 Ų | 149.7 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 140.7 | 166.9 | -90 | -86.8 | 0 | 0 | 0 | 110 | Q125 | Y123-Q125 PolarHBondContact O-N 2.81Š|
| 124 | P | 54.1 | Low | 49.3 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 121.6 | 166.6 | 27.6 | -30.5 | 0 | 0 | 0 | 109.3 | A126 | P124-A126 PolarHBondContact O-N 2.76Š|
| 125 | Q | 45.9 | Very low | 48.7 | Very low | 174 Ų | 174 | 146 Ų | 146 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 121.3 | 170.2 | -76.4 | -86.6 | -67 | 0 | 0 | 109.1 | Y123 F127 | Y123-Q125 PolarHBondContact O-N 2.81Å; Q125-F127 PolarHBondContact O-N 2.77Å |
| 126 | A | 52.7 | Low | 49 | Very low | 86 Ų | 86 | 142.3 Ų | 142.3 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 122.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | P124 V128 | P124-A126 PolarHBondContact O-N 2.76Å; A126-V128 PolarHBondContact O-N 3.29Å |
| 127 | F | 46.3 | Very low | 49 | Very low | 204 Ų | 204 | 145.4 Ų | 145.4 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | -58.1 | 114.5 | 170.5 | -95.6 | -94.7 | 0 | 0 | 0 | 109.1 | Q125 Q129 | Q125-F127 PolarHBondContact O-N 2.77Å; F127-Q129 PolarHBondContact O-N 3.06Å | ||
| 128 | V | 49.5 | Very low | 49.1 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | trans | -61.3 | 115.4 | 169 | 177.6 | 0 | 0 | 0 | 0 | 107.7 | A126 | A126-V128 PolarHBondContact O-N 3.29Š| ||
| 129 | Q | 48.4 | Very low | 48.6 | Very low | 171 Ų | 171 | 144.7 Ų | 144.7 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -72.5 | 134.2 | 167.8 | -63.1 | -166.5 | 7.8 | 0 | 0 | 108.8 | F127 S131 | F127-Q129 PolarHBondContact O-N 3.06Å; Q129-S131 PolarHBondContact O-N 3.48Å | ||
| 130 | P | 46.2 | Very low | 48 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -66.5 | 126.8 | 169.1 | 26.4 | -30.5 | 0 | 0 | 0 | 109.4 | V132 | P130-V132 PolarHBondContact O-N 3.02Š| ||
| 131 | S | 43.3 | Very low | 47.6 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -44.4 | 123.5 | -178.3 | -47.1 | 0 | 0 | 0 | 0 | 114 | Q129 | Q129-S131 PolarHBondContact O-N 3.48Š| ||
| 132 | V | 54.9 | Low | 47.1 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -84.3 | 111.4 | 156.6 | 175.7 | 0 | 0 | 0 | 0 | 107 | P130 I134 | P130-V132 PolarHBondContact O-N 3.02Å; V132-I134 PolarHBondContact O-N 3.42Å | ||
| 133 | V | 52.8 | Low | 47 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -65.4 | 110.2 | 167.4 | 167.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 134 | I | 52.3 | Low | 47.2 | Very low | 139 Ų | 139 | 129.7 Ų | 129.7 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -86.7 | 121.3 | 168.3 | -56.7 | 170.9 | 0 | 0 | 0 | 106.7 | V132 H136 | V132-I134 PolarHBondContact O-N 3.42Å; I134-H136 PolarHBondContact O-N 3.34Å; I134-H136 VanDerWaalsContact O-N 3.1Å | ||
| 135 | P | 40.2 | Very low | 46.5 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -67 | 109.6 | 167 | -13.9 | 28.6 | 0 | 0 | 0 | 108.5 | V137 | P135-V137 PolarHBondContact O-N 3.17Š| ||
| 136 | H | 51.9 | Low | 45.9 | Very low | 156 Ų | 156 | 127.3 Ų | 127.3 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -74.4 | 115.1 | 168.6 | 66.2 | -74.6 | 0 | 0 | 0 | 107.9 | I134 | I134-H136 PolarHBondContact O-N 3.34Å; I134-H136 VanDerWaalsContact O-N 3.1Å | ||
| 137 | V | 52 | Low | 45.3 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -93.2 | 108.9 | 161.9 | -164.4 | 0 | 0 | 0 | 0 | 105.5 | P135 P139 | P135-V137 PolarHBondContact O-N 3.17Å; V137-P139 WeakPolarHBondContact O-CD 3.39Å | ||
| 138 | Q | 49.3 | Very low | 44.8 | Very low | 150 Ų | 150 | 124.6 Ų | 124.6 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 124.4 | -179.2 | -179.5 | 168.7 | -30.6 | 0 | 0 | 110.4 | ||
| 139 | P | 46.9 | Very low | 44.5 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 119.5 | 165.1 | 17 | 1.4 | 0 | 0 | 0 | 109.7 | V137 A141 | V137-P139 WeakPolarHBondContact O-CD 3.39Å; P139-A141 PolarHBondContact O-N 3.1Å |
| 140 | T | 36.4 | Very low | 44.2 | Very low | 124 Ų | 124 | 121.4 Ų | 121.4 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 118.8 | 170.8 | -59.8 | 0 | 0 | 0 | 0 | 110 | ||
| 141 | A | 39.1 | Very low | 44 | Very low | 90 Ų | 90 | 121.2 Ų | 121.2 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | 20 | 127.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | P139 | P139-A141 PolarHBondContact O-N 3.1Š| ||
| 142 | A | 36.2 | Very low | 44.3 | Very low | 96 Ų | 96 | 121.6 Ų | 121.6 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | -177.5 | 109.3 | 115.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 143 | A | 41.5 | Very low | 43.5 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | 59.1 | 168.8 | 138.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 144 | P | 51.6 | Low | 43.4 | Very low | 129 Ų | 129 | 126.1 Ų | 126.1 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | -114 | 150.6 | -112.6 | 33.1 | -15.6 | 0 | 0 | 0 | 114 | |||||
| 145 | A | 39.1 | Very low | 42.6 | Very low | 102 Ų | 102 | 125.6 Ų | 125.6 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -137.4 | 122.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 146 | T | 33.4 | Very low | 42.6 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | trans | -56.2 | 148.5 | 173 | 38 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 147 | A | 40.9 | Very low | 42.4 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -54.7 | 142.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 148 | T | 34 | Very low | 42.4 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -152.8 | 125.5 | 136.6 | -33.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 149 | A | 44.5 | Very low | 42.1 | Very low | 94 Ų | 94 | 124.9 Ų | 124.9 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -84.3 | 129.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 150 | T | 41.3 | Very low | 42 | Very low | 139 Ų | 139 | 123.7 Ų | 123.7 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -155.4 | 135.9 | 157.5 | 23.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 151 | S | 42.8 | Very low | 42.4 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -55.1 | 147.3 | -166.9 | -46.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 152 | P | 49.4 | Very low | 42.8 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | trans | -95.2 | 102.8 | 168.4 | 33.4 | -25.7 | 0 | 0 | 0 | 111.1 | ||||
| 153 | Y | 37 | Very low | 43.1 | Very low | 212 Ų | 212 | 132.9 Ų | 132.9 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | trans | -93.8 | 114.3 | 151.1 | -163.8 | -88.9 | 0 | 0 | 0 | 106 | ||||
| 154 | I | 51.3 | Low | 43.3 | Very low | 141 Ų | 141 | 139.3 Ų | 139.3 | 72% | 0.723 | 82% | 0.82 | S | S | * | * | trans | -117.8 | 114.7 | 175.5 | -65.5 | -131.6 | 0 | 0 | 0 | 109.2 | ||||
| 155 | D | 36.4 | Very low | 43.3 | Very low | 127 Ų | 127 | 139 Ų | 139 | 68% | 0.679 | 82% | 0.821 | S | S | * | * | trans | -58.3 | 131 | 164.5 | -115.8 | -94.3 | 0 | 0 | 0 | 111.1 | ||||
| 156 | Y | 40 | Very low | 43.4 | Very low | 220 Ų | 220 | 139.2 Ų | 139.2 | 86% | 0.863 | 82% | 0.823 | S | S | * | * | trans | -107.7 | 81.5 | -178.6 | -143.8 | -86.3 | 0 | 0 | 0 | 110 | ||||
| 157 | T | 48 | Very low | 44.1 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -139.2 | 111 | 164.8 | 54.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 158 | G | 51.7 | Low | 44.4 | Very low | 83 Ų | 83 | 137 Ų | 137 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | 123.8 | 64.2 | 159 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 159 | A | 42.6 | Very low | 44.9 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | -152 | 82.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 160 | A | 44.1 | Very low | 44.8 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -148.7 | 3.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 161 | Y | 45.3 | Very low | 44.6 | Very low | 239 Ų | 239 | 137.6 Ų | 137.6 | 94% | 0.937 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -137.3 | 79.9 | 177.8 | -95.8 | -87.4 | 0 | 0 | 0 | 111.5 | ||
| 162 | A | 47.4 | Very low | 44.2 | Very low | 94 Ų | 94 | 136.8 Ų | 136.8 | 78% | 0.777 | 83% | 0.829 | S | S | * | * | trans | -166.7 | 68.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 163 | Q | 42.8 | Very low | 43.5 | Very low | 170 Ų | 170 | 135.7 Ų | 135.7 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | -155.5 | 43.3 | 170 | -158.2 | 109.7 | -44.6 | 0 | 0 | 113.8 | ||||
| 164 | Y | 45.9 | Very low | 43.4 | Very low | 235 Ų | 235 | 132.6 Ų | 132.6 | 92% | 0.922 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -148.7 | 46.9 | 168.6 | -62.2 | -76.9 | 0 | 0 | 0 | 113.6 | ||
| 165 | S | 50.6 | Low | 42.7 | Very low | 122 Ų | 122 | 130 Ų | 130 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | trans | -150.1 | 72.6 | 167.2 | 65.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 166 | A | 41.3 | Very low | 42.8 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 88% | 0.884 | 84% | 0.842 | S | S | * | * | trans | -145.7 | 69.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 167 | A | 48.4 | Very low | 42.6 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | trans | -153.3 | 67.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 168 | A | 47.8 | Very low | 41.7 | Very low | 87 Ų | 87 | 134.4 Ų | 134.4 | 72% | 0.719 | 84% | 0.84 | S | S | * | * | trans | -158.3 | 24.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 169 | N | 44 | Very low | 40.9 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 93% | 0.925 | 84% | 0.836 | S | S | * | * | trans | -149.9 | 78.2 | 173.3 | -82.6 | -54.5 | 0 | 0 | 0 | 112.4 | ||||
| 170 | A | 42 | Very low | 41.8 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 85% | 0.851 | 83% | 0.83 | S | S | * | * | trans | -154 | 81.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 171 | A | 38 | Very low | 41.3 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | trans | 171.9 | 96.1 | 150 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 172 | A | 34.2 | Very low | 41 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | trans | -123.4 | 142 | 163 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 173 | A | 34.3 | Very low | 40.4 | Very low | 99 Ų | 99 | 139 Ų | 139 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | 85.6 | 108.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 174 | V | 35.1 | Very low | 40.3 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | 177.3 | 140.5 | 115.6 | 168 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 175 | A | 37 | Very low | 40.8 | Very low | 87 Ų | 87 | 130.7 Ų | 130.7 | 72% | 0.719 | 81% | 0.814 | S | S | * | * | trans | 97.6 | 98.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 176 | Y | 37.8 | Very low | 40.2 | Very low | 223 Ų | 223 | 129.7 Ų | 129.7 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | 58.9 | 106.8 | 126 | -99.2 | -96.9 | 0 | 0 | 0 | 121.7 | |||||
| 177 | E | 36.5 | Very low | 40.4 | Very low | 146 Ų | 146 | 129.3 Ų | 129.3 | 68% | 0.682 | 81% | 0.81 | S | S | * | * | trans | 22.2 | 112.3 | 133.1 | -69.4 | -79.6 | 113 | 0 | 0 | 119.5 | ||||
| 178 | Q | 28.9 | Very low | 40.4 | Very low | 197 Ų | 197 | 130.7 Ų | 130.7 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -161.1 | 112.1 | 141.3 | -161 | 133.4 | -36.7 | 0 | 0 | 112.1 | ||||
| 179 | Y | 34.9 | Very low | 39.8 | Very low | 197 Ų | 197 | 129.6 Ų | 129.6 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -86.4 | -178.6 | 166.1 | -79.8 | -82.1 | 0 | 0 | 0 | 110.9 | ||||
| 180 | P | 62.3 | Low | 39.5 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | cis | -134.6 | 163.9 | -46.3 | 35.5 | -19.7 | 0 | 0 | 0 | 112.8 | ||||
| 181 | Y | 32.7 | Very low | 39.2 | Very low | 230 Ų | 230 | 134.4 Ų | 134.4 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | -174.5 | 152.3 | 128.4 | -150.4 | -104.6 | 0 | 0 | 0 | 113.4 | |||||
| 182 | A | 39.7 | Very low | 39.1 | Very low | 76 Ų | 76 | 133.6 Ų | 133.6 | 63% | 0.628 | 79% | 0.794 | S | S | * | * | trans | -49.9 | 170.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 183 | A | 34.2 | Very low | 39.1 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | cis | -160.8 | 153.8 | 20 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 184 | S | 41.3 | Very low | 39 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -91.6 | -175.9 | 161.9 | -58.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 185 | P | 56.1 | Low | 38.9 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | cis | -150.3 | 174.4 | 10.7 | 41.6 | -19.5 | 0 | 0 | 0 | 119.6 | ||||
| 186 | A | 38.6 | Very low | 38.7 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | 81.3 | 124.4 | 135.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 187 | A | 44.6 | Very low | 38.4 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -121.4 | 136.5 | 146.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 188 | P | 48.1 | Very low | 38.2 | Very low | 133 Ų | 133 | 135 Ų | 135 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -96.4 | 153.9 | 162.9 | 35.7 | -26.3 | 0 | 0 | 0 | 108.8 | ||||
| 189 | G | 34.9 | Very low | 38.5 | Very low | 64 Ų | 64 | 129.2 Ų | 129.2 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | cis | 143.1 | 111.4 | 20.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 190 | Y | 37.9 | Very low | 38.7 | Very low | 209 Ų | 209 | 126 Ų | 126 | 82% | 0.82 | 78% | 0.777 | S | S | * | * | trans | -78.7 | 153.8 | 172.6 | 9.5 | -96.8 | 0 | 0 | 0 | 110.1 | ||||
| 191 | M | 35.4 | Very low | 37.4 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | trans | 153.1 | 116.5 | 137.7 | -79.4 | -75.4 | 157 | 0 | 0 | 110.3 | ||||
| 192 | A | 37.1 | Very low | 37.8 | Very low | 91 Ų | 91 | 126.8 Ų | 126.8 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | 85.5 | 144.1 | 111.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 193 | T | 33.1 | Very low | 38.8 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | cis | -174.5 | 155.5 | 21.5 | 169.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 194 | T | 33.6 | Very low | 38.9 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | trans | 61.5 | 127.2 | 150.1 | 43.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 195 | G | 32.8 | Very low | 38.7 | Very low | 65 Ų | 65 | 130.6 Ų | 130.6 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | 137.1 | 103.1 | 122.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 196 | Y | 31.8 | Very low | 37.7 | Very low | 243 Ų | 243 | 129.5 Ų | 129.5 | 95% | 0.953 | 79% | 0.786 | S | S | * | * | trans | 43 | 131.6 | 142.7 | -70.9 | -87.3 | 0 | 0 | 0 | 121.9 | ||||
| 197 | G | 32.8 | Very low | 37.5 | Very low | 63 Ų | 63 | 129.7 Ų | 129.7 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | 121.5 | 102.9 | 124.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 198 | F | 31.3 | Very low | 37.4 | Very low | 211 Ų | 211 | 129.5 Ų | 129.5 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | 58.3 | 136.5 | 133 | -87.4 | -88.4 | 0 | 0 | 0 | 123.7 | ||||
| 199 | A | 35.6 | Very low | 37.5 | Very low | 76 Ų | 76 | 129.5 Ų | 129.5 | 63% | 0.628 | 79% | 0.786 | S | S | * | * | trans | 72.8 | 112.1 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 200 | V | 38.4 | Very low | 37.5 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | 42.7 | 111.5 | 93.6 | -138.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 201 | Q | 35.3 | Very low | 37.9 | Very low | 179 Ų | 179 | 125.6 Ų | 125.6 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | 173 | 123.1 | 119.3 | -149.2 | 101.3 | -27.8 | 0 | 0 | 110.4 | |||||
| 202 | Q | 40.9 | Very low | 37.9 | Very low | 177 Ų | 177 | 122.1 Ų | 122.1 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -74.9 | -168.8 | 155.6 | -116.5 | 165.8 | -17.5 | 0 | 0 | 109.2 | ||||
| 203 | P | 60.8 | Low | 37.7 | Very low | 106 Ų | 106 | 122.6 Ų | 122.6 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | cis | -132.2 | 170.7 | -32.9 | 32.8 | -15.8 | 0 | 0 | 0 | 111 | ||||
| 204 | L | 37 | Very low | 37.7 | Very low | 167 Ų | 167 | 121.4 Ų | 121.4 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -163 | 120.1 | 144.6 | -144.4 | 56.7 | 0 | 0 | 0 | 114 | ||||
| 205 | A | 37.1 | Very low | 37.7 | Very low | 91 Ų | 91 | 119.7 Ų | 119.7 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | 20.8 | 157 | 135.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 206 | A | 34.8 | Very low | 38 | Very low | 98 Ų | 98 | 120.9 Ų | 120.9 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | cis | 173.1 | 139.4 | -13.6 | 0 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 207 | A | 35.1 | Very low | 38.3 | Very low | 104 Ų | 104 | 115.8 Ų | 115.8 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | 173.4 | 103.6 | 148.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 208 | A | 41.2 | Very low | 38.6 | Very low | 95 Ų | 95 | 117.9 Ų | 117.9 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -92.2 | 168.4 | 146.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 209 | P | 49.8 | Very low | 38.8 | Very low | 132 Ų | 132 | 115.7 Ų | 115.7 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | -154.7 | 175 | 59.3 | 37.6 | -14.4 | 0 | 0 | 0 | 117.7 | |||||
| 210 | G | 35.8 | Very low | 39 | Very low | 70 Ų | 70 | 115.8 Ų | 115.8 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | 96.7 | 122.8 | 155.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 211 | S | 46.2 | Very low | 39.1 | Very low | 122 Ų | 122 | 117.4 Ų | 117.4 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | cis | -167 | 145.2 | 28 | 30.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 212 | A | 35 | Very low | 39.5 | Very low | 94 Ų | 94 | 120.2 Ų | 120.2 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | 22.5 | 124.3 | 157.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 213 | A | 34.1 | Very low | 39.5 | Very low | 102 Ų | 102 | 120.2 Ų | 120.2 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | 61.6 | 135.6 | 61.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 214 | A | 33.2 | Very low | 38.8 | Very low | 91 Ų | 91 | 119.3 Ų | 119.3 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | cis | -162.8 | 146.4 | 12.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 215 | A | 33.3 | Very low | 39 | Very low | 98 Ų | 98 | 118.9 Ų | 118.9 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | 82.8 | 123.3 | 105.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 216 | A | 38.2 | Very low | 39.5 | Very low | 89 Ų | 89 | 121.5 Ų | 121.5 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | 170.4 | 112.6 | 112.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 217 | V | 37.7 | Very low | 40.3 | Very low | 136 Ų | 136 | 124.2 Ų | 124.2 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | 59.1 | 116.3 | 101.7 | -143.2 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 218 | A | 39.6 | Very low | 40.9 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 88% | 0.884 | 80% | 0.799 | S | S | * | * | trans | -139.2 | 115.3 | 151 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 219 | F | 34.9 | Very low | 41.5 | Very low | 166 Ų | 166 | 128.3 Ų | 128.3 | 73% | 0.728 | 80% | 0.795 | S | S | * | * | trans | -97.9 | 119 | -173.8 | -161.5 | -97.9 | 0 | 0 | 0 | 107.5 | Q221 | F219-Q221 HydrophobicContact CD1-CB 4.35Å; F219-Q221 HydrophobicContact CD1-CG 4Å; F219-Q221 HydrophobicContact CE1-CG 3.93Å; F219-Q221 PolarHBondContact O-N 3.39Å | ||
| 220 | G | 40.2 | Very low | 41.7 | Very low | 78 Ų | 78 | 129.2 Ų | 129.2 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -89.5 | 80.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 221 | Q | 41.4 | Very low | 42.7 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 118.1 | 168.5 | -118.4 | 166.4 | -20.3 | 0 | 0 | 109.6 | F219 | F219-Q221 HydrophobicContact CD1-CB 4.35Å; F219-Q221 HydrophobicContact CD1-CG 4Å; F219-Q221 HydrophobicContact CE1-CG 3.93Å; F219-Q221 PolarHBondContact O-N 3.39Å |
| 222 | Y | 42.4 | Very low | 43.1 | Very low | 239 Ų | 239 | 138.5 Ų | 138.5 | 94% | 0.937 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 117.3 | 157.7 | -92.9 | -86.7 | 0 | 0 | 0 | 108.5 | ||
| 223 | Q | 42.7 | Very low | 44 | Very low | 176 Ų | 176 | 146.7 Ų | 146.7 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -91 | 138.2 | -176.2 | -168.8 | 171.6 | -7.9 | 0 | 0 | 110 | ||
| 224 | A | 45.8 | Very low | 44.5 | Very low | 87 Ų | 87 | 149 Ų | 149 | 72% | 0.719 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 136.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 225 | Q | 41.1 | Very low | 45.1 | Very low | 159 Ų | 159 | 152 Ų | 152 | 74% | 0.743 | 82% | 0.821 | S | S | * | * | trans | 154.2 | 140.9 | 161.9 | -89.2 | 173.6 | -38 | 0 | 0 | 106.6 | ||||
| 226 | Q | 46.5 | Very low | 45.8 | Very low | 146 Ų | 146 | 155 Ų | 155 | 68% | 0.682 | 82% | 0.822 | S | S | * | * | cis | -167.8 | 149.7 | 16.7 | -119.1 | 163.7 | 36.3 | 0 | 0 | 109.3 | ||||
| 227 | L | 52 | Low | 46.3 | Very low | 155 Ų | 155 | 158.9 Ų | 158.9 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | trans | 10.9 | 126.3 | 150 | -76.9 | 106.7 | 0 | 0 | 0 | 120.3 | ||||
| 228 | Q | 46.9 | Very low | 46.8 | Very low | 200 Ų | 200 | 160.3 Ų | 160.3 | 94% | 0.935 | 83% | 0.827 | S | S | * | * | trans | -131.6 | 106.5 | 145 | -149 | 143.9 | 3.4 | 0 | 0 | 109.7 | ||||
| 229 | A | 54.8 | Low | 47.3 | Very low | 84 Ų | 84 | 163.9 Ų | 163.9 | 69% | 0.694 | 82% | 0.823 | S | S | * | * | trans | -80.7 | 129 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | R231 | A229-R231 PolarHBondContact O-N 3.47Š| ||
| 230 | D | 53.3 | Low | 48.2 | Very low | 152 Ų | 152 | 163.7 Ų | 163.7 | 81% | 0.813 | 83% | 0.83 | S | S | * | * | trans | -36.1 | 124.8 | 148.6 | -172 | -98.9 | 0 | 0 | 0 | 111.3 | ||||
| 231 | R | 56.9 | Low | 48.8 | Very low | 221 Ų | 221 | 170.3 Ų | 170.3 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | trans | 175.2 | 118.4 | 148.9 | -80.7 | -115.1 | 158.7 | 126.6 | 0.7 | 112.6 | A229 | A229-R231 PolarHBondContact O-N 3.47Š| ||
| 232 | M | 55 | Low | 49.4 | Very low | 166 Ų | 166 | 170.9 Ų | 170.9 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | 53.4 | 106.6 | 138 | -59.9 | -108.3 | -69.2 | 0 | 0 | 119.9 | ||||
| 233 | Q | 55.1 | Low | 50 | Low | 266 Ų | 266 | 164.7 Ų | 164.7 | 100% | 1.243 | 83% | 0.829 | S | S | * | * | -179 | 0 | 101.5 | -93.6 | -169.9 | 4.6 | 0 | 0 | 110.2 |
Retrieved 233 of 233 residues in 153.3 ms
(Link to these results)