| 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 | 31.5 | Very low | 41.1 | Very low | 247 Ų | 247 | 144 Ų | 144 | 100% | 1.217 | 76% | 0.764 | S | S | * | * | 0 | 81.5 | 0 | -69.8 | -174.5 | 171.7 | 0 | 0 | 107.4 | |||||
| 2 | T | 30.9 | Very low | 44.6 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 90% | 0.896 | 71% | 0.712 | S | S | * | * | trans | -83.7 | 117.1 | 173.4 | 38 | 0 | 0 | 0 | 0 | 107.5 | S4 | T2-S4 PolarHBondContact O-N 3.41Š| ||
| 3 | S | 33.4 | Very low | 47.9 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 69% | 0.693 | S | S | * | * | trans | -58.1 | 113.6 | 178.6 | 175.9 | 0 | 0 | 0 | 0 | 109 | A5 | S3-A5 PolarHBondContact O-N 3.1Š| ||
| 4 | S | 38.7 | Very low | 51 | Low | 112 Ų | 112 | 132.6 Ų | 132.6 | 78% | 0.783 | 70% | 0.7 | S | S | * | * | trans | -62 | 94.2 | 164 | -169.7 | 0 | 0 | 0 | 0 | 106.3 | T2 K6 | T2-S4 PolarHBondContact O-N 3.41Å; S4-K6 VanDerWaalsContact C-N 3.33Å; S4-K6 PolarHBondContact O-N 3.05Å | ||
| 5 | A | 36.9 | Very low | 53.6 | Low | 80 Ų | 80 | 134.5 Ų | 134.5 | 66% | 0.661 | 70% | 0.704 | S | S | * | * | trans | -57.4 | 105.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 105.1 | S3 K7 | S3-A5 PolarHBondContact O-N 3.1Å; A5-K7 PolarHBondContact O-N 3.33Å | ||
| 6 | K | 35.2 | Very low | 55.9 | Low | 197 Ų | 197 | 128.3 Ų | 128.3 | 86% | 0.857 | 67% | 0.673 | S | S | * | * | trans | -54.8 | 95.1 | 169.7 | -82.2 | 177.6 | 173.7 | 176.7 | 0 | 105.7 | S4 Q8 | S4-K6 VanDerWaalsContact C-N 3.33Å; S4-K6 PolarHBondContact O-N 3.05Å; K6-Q8 VanDerWaalsContact C-N 3.28Å; K6-Q8 PolarHBondContact O-N 2.9Å | ||
| 7 | K | 41.3 | Very low | 58.1 | Low | 115 Ų | 115 | 124.4 Ų | 124.4 | 50% | 0.5 | 65% | 0.652 | S | S | . | * | trans | -52 | 102.1 | 168.3 | -93.6 | 175.9 | 156.8 | -157.9 | 0 | 104.8 | A5 K9 N88 I90 | A5-K7 PolarHBondContact O-N 3.33Å; K7-K9 PolarHBondContact O-N 3.16Å; K7-K9 VanDerWaalsContact O-N 3.07Å; K7-N88 VanDerWaalsContact CD-O 3.27Å; K7-N88 WeakPolarHBondContact CD-O 3.49Å; K7-N88 WeakPolarHBondContact CE-O 3.46Å; K7-N88 PolarHBondContact NZ-O 2.93Å; K7-I90 PolarHBondContact NZ-O 3.3Å | ||
| 8 | Q | 34.8 | Very low | 60.2 | Low | 181 Ų | 181 | 122.9 Ų | 122.9 | 85% | 0.846 | 65% | 0.649 | S | S | * | * | trans | -63.9 | 115.3 | -176.6 | -164.9 | 168.6 | 12.4 | 0 | 0 | 104.7 | K6 A10 | K6-Q8 VanDerWaalsContact C-N 3.28Å; K6-Q8 PolarHBondContact O-N 2.9Å; Q8-A10 VanDerWaalsContact C-N 3.33Å; Q8-A10 PolarHBondContact O-N 2.95Å | ||
| 9 | K | 47.7 | Very low | 62 | Low | 167 Ų | 167 | 121.9 Ų | 121.9 | 73% | 0.726 | 64% | 0.641 | S | S | * | * | trans | -54.9 | 99.1 | -177.6 | -71.9 | -172.3 | 176.7 | -169.5 | 0 | 108.4 | K7 K11 N88 | K7-K9 PolarHBondContact O-N 3.16Å; K7-K9 VanDerWaalsContact O-N 3.07Å; K9-K11 PolarHBondContact O-N 3.24Å; K9-K11 VanDerWaalsContact O-N 3.13Å; K9-N88 VanDerWaalsContact CA-OD1 3.32Å; K9-N88 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 10 | A | 54.6 | Low | 63.6 | Low | 37 Ų | 37 | 116.3 Ų | 116.3 | 31% | 0.306 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 118.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 106 | Q8 Y87 N88 | Q8-A10 VanDerWaalsContact C-N 3.33Å; Q8-A10 PolarHBondContact O-N 2.95Å; A10-Y87 HydrophobicContact CB-CD1 3.86Å; A10-Y87 HydrophobicContact CB-CE1 3.97Å; A10-N88 WeakPolarHBondContact CB-OD1 3.4Å; A10-N88 PolarHBondContact N-OD1 2.8Å; A10-N88 PolarHBondContact O-ND2 3.23Å |
| 11 | K | 66.7 | Low | 65.2 | Low | 189 Ų | 189 | 114 Ų | 114 | 82% | 0.822 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 138.5 | 168.7 | -77.7 | -172.8 | 172.2 | -171.5 | 0 | 107.3 | K9 T13 | K9-K11 PolarHBondContact O-N 3.24Å; K9-K11 VanDerWaalsContact O-N 3.13Å; K11-T13 PolarHBondContact O-N 2.95Å |
| 12 | L | 83.2 | Confident | 68.3 | Low | 27 Ų | 27 | 105 Ų | 105 | 14% | 0.141 | 56% | 0.561 | C | S | . | * | P | Polyproline II helix | trans | -56.4 | 137 | 168.9 | -57.6 | 174.7 | 0 | 0 | 0 | 108.7 | T16 I17 Y20 C80 | L12-T16 HydrophobicContact CD2-CG2 4.07Å; L12-I17 HydrophobicContact CB-CD1 4.12Å; L12-I17 HydrophobicContact CB-CG1 3.73Å; L12-I17 HydrophobicContact CD1-CG1 4.38Å; L12-Y20 HydrophobicContact CD1-CD2 3.99Å; L12-Y20 HydrophobicContact CD1-CE2 3.79Å; L12-Y20 HydrophobicContact CD2-CE2 3.83Å; L12-Y20 HydrophobicContact CG-CE2 4.43Å; L12-C80 HydrophobicContact CD1-CB 4.25Å |
| 13 | T | 87.6 | Confident | 71.4 | Confident | 76 Ų | 76 | 101 Ų | 101 | 47% | 0.466 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 161.9 | 175.1 | 70.8 | 0 | 0 | 0 | 0 | 109.9 | K11 E15 T16 I17 | K11-T13 PolarHBondContact O-N 2.95Å; T13-E15 PolarHBondContact O-N 2.94Å; T13-T16 PolarHBondContact O-N 2.94Å; T13-T16 WeakPolarHBondContact OG1-CB 3.49Å; T13-T16 PolarHBondContact OG1-N 2.73Å; T13-T16 VanDerWaalsContact OG1-N 3.09Å; T13-T16 PolarHBondContact OG1-OG1 2.8Å; T13-I17 VanDerWaalsContact O-CG1 3.29Å; T13-I17 WeakPolarHBondContact O-CG1 3.48Å; T13-I17 PolarHBondContact O-N 3.3Å |
| 14 | E | 91.1 | Very high | 74.4 | Confident | 169 Ų | 169 | 95.6 Ų | 95.6 | 79% | 0.79 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.3 | -35 | 175.6 | -66.8 | -179 | 179.3 | 0 | 0 | 112.2 | I17 T18 | E14-I17 PolarHBondContact O-N 3.2Å; E14-T18 WeakPolarHBondContact O-CB 3.41Å; E14-T18 PolarHBondContact O-N 3.34Å; E14-T18 PolarHBondContact O-OG1 2.58Å |
| 15 | E | 90.7 | Very high | 77.1 | Confident | 161 Ų | 161 | 92.8 Ų | 92.8 | 75% | 0.752 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.5 | -49.4 | 175.5 | -175 | 174.3 | -168.9 | 0 | 0 | 111 | T13 I17 T18 E19 | T13-E15 PolarHBondContact O-N 2.94Å; E15-I17 PolarHBondContact O-N 3.37Å; E15-T18 WeakPolarHBondContact O-CB 3.19Å; E15-T18 PolarHBondContact O-N 2.98Å; E15-T18 VanDerWaalsContact O-N 3.14Å; E15-E19 PolarHBondContact O-N 2.93Å |
| 16 | T | 90.3 | Very high | 79.9 | Confident | 35 Ų | 35 | 91.4 Ų | 91.4 | 22% | 0.215 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -60.5 | -43 | 175.9 | -57 | 0 | 0 | 0 | 0 | 111.6 | L12 T13 T18 E19 Y20 | L12-T16 HydrophobicContact CD2-CG2 4.07Å; T13-T16 PolarHBondContact O-N 2.94Å; T13-T16 WeakPolarHBondContact OG1-CB 3.49Å; T13-T16 PolarHBondContact OG1-N 2.73Å; T13-T16 VanDerWaalsContact OG1-N 3.09Å; T13-T16 PolarHBondContact OG1-OG1 2.8Å; T16-T18 VanDerWaalsContact C-N 3.29Å; T16-T18 PolarHBondContact O-N 3.36Å; T16-E19 PolarHBondContact O-N 2.79Å; T16-Y20 HydrophobicContact CG2-CD1 3.93Å; T16-Y20 HydrophobicContact CG2-CD2 4.23Å; T16-Y20 HydrophobicContact CG2-CE1 3.41Å; T16-Y20 VanDerWaalsContact CG2-CE1 3.41Å; T16-Y20 HydrophobicContact CG2-CE2 3.77Å; T16-Y20 HydrophobicContact CG2-CG 4.32Å; T16-Y20 VanDerWaalsContact O-CB 3.29Å; T16-Y20 WeakPolarHBondContact O-CB 3.34Å; T16-Y20 WeakPolarHBondContact O-CD1 3.33Å; T16-Y20 PolarHBondContact O-N 3.4Å |
| 17 | I | 93.8 | Very high | 82.7 | Confident | 63 Ų | 63 | 83.2 Ų | 83.2 | 32% | 0.323 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 176.6 | -68.1 | 167 | 0 | 0 | 0 | 110.9 | L12 T13 E14 E15 Y20 K21 F76 | L12-I17 HydrophobicContact CB-CD1 4.12Å; L12-I17 HydrophobicContact CB-CG1 3.73Å; L12-I17 HydrophobicContact CD1-CG1 4.38Å; T13-I17 VanDerWaalsContact O-CG1 3.29Å; T13-I17 WeakPolarHBondContact O-CG1 3.48Å; T13-I17 PolarHBondContact O-N 3.3Å; E14-I17 PolarHBondContact O-N 3.2Å; E15-I17 PolarHBondContact O-N 3.37Å; I17-Y20 PolarHBondContact O-N 3.46Å; I17-K21 WeakPolarHBondContact O-CB 3.35Å; I17-K21 PolarHBondContact O-N 2.67Å; I17-F76 HydrophobicContact CG2-CE1 4.1Å; I17-F76 HydrophobicContact CG2-CZ 4.02Å |
| 18 | T | 95.1 | Very high | 85.2 | Confident | 97 Ų | 97 | 78 Ų | 78 | 60% | 0.595 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65 | -44.4 | 177.9 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | E14 E15 T16 K21 A22 | E14-T18 WeakPolarHBondContact O-CB 3.41Å; E14-T18 PolarHBondContact O-N 3.34Å; E14-T18 PolarHBondContact O-OG1 2.58Å; E15-T18 WeakPolarHBondContact O-CB 3.19Å; E15-T18 PolarHBondContact O-N 2.98Å; E15-T18 VanDerWaalsContact O-N 3.14Å; T16-T18 VanDerWaalsContact C-N 3.29Å; T16-T18 PolarHBondContact O-N 3.36Å; T18-K21 PolarHBondContact O-N 3.16Å; T18-A22 PolarHBondContact O-N 3.3Å; T18-A22 VanDerWaalsContact O-N 3.09Å |
| 19 | E | 93.9 | Very high | 87.8 | Confident | 105 Ų | 105 | 76.9 Ų | 76.9 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 174.6 | -179.8 | 177.6 | -165.7 | 0 | 0 | 111.7 | E15 T16 K21 A22 Q23 | E15-E19 PolarHBondContact O-N 2.93Å; T16-E19 PolarHBondContact O-N 2.79Å; E19-K21 VanDerWaalsContact C-N 3.27Å; E19-K21 PolarHBondContact O-N 3.48Å; E19-A22 WeakPolarHBondContact O-CB 3.5Å; E19-A22 PolarHBondContact O-N 2.94Å; E19-A22 VanDerWaalsContact O-N 3.13Å; E19-Q23 PolarHBondContact O-N 2.94Å; E19-Q23 VanDerWaalsContact O-N 3.08Å |
| 20 | Y | 95.1 | Very high | 89.8 | Confident | 9 Ų | 9 | 74.5 Ų | 74.5 | 4% | 0.035 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.9 | -41.5 | 177.7 | -78.6 | 16.6 | 0 | 0 | 0 | 111.2 | L12 T16 I17 Q23 F24 V47 F79 A83 | L12-Y20 HydrophobicContact CD1-CD2 3.99Å; L12-Y20 HydrophobicContact CD1-CE2 3.79Å; L12-Y20 HydrophobicContact CD2-CE2 3.83Å; L12-Y20 HydrophobicContact CG-CE2 4.43Å; T16-Y20 HydrophobicContact CG2-CD1 3.93Å; T16-Y20 HydrophobicContact CG2-CD2 4.23Å; T16-Y20 HydrophobicContact CG2-CE1 3.41Å; T16-Y20 VanDerWaalsContact CG2-CE1 3.41Å; T16-Y20 HydrophobicContact CG2-CE2 3.77Å; T16-Y20 HydrophobicContact CG2-CG 4.32Å; T16-Y20 VanDerWaalsContact O-CB 3.29Å; T16-Y20 WeakPolarHBondContact O-CB 3.34Å; T16-Y20 WeakPolarHBondContact O-CD1 3.33Å; T16-Y20 PolarHBondContact O-N 3.4Å; I17-Y20 PolarHBondContact O-N 3.46Å; Y20-Q23 PolarHBondContact O-N 3.39Å; Y20-F24 WeakPolarHBondContact O-CB 3.11Å; Y20-F24 PolarHBondContact O-N 3.25Å; Y20-V47 HydrophobicContact CD1-CB 3.7Å; Y20-V47 HydrophobicContact CD1-CG1 3.56Å; Y20-V47 HydrophobicContact CD1-CG2 4.36Å; Y20-V47 HydrophobicContact CE1-CB 3.46Å; Y20-V47 VanDerWaalsContact CE1-CB 3.46Å; Y20-V47 HydrophobicContact CE1-CG1 3.9Å; Y20-V47 HydrophobicContact CE1-CG2 3.97Å; Y20-V47 HydrophobicContact CG-CG1 4.19Å; Y20-F79 HydrophobicContact CD2-CE1 4.01Å; Y20-F79 HydrophobicContact CD2-CZ 4.49Å; Y20-F79 HydrophobicContact CG-CE1 4.05Å; Y20-A83 HydrophobicContact CD2-CB 4.16Å; Y20-A83 HydrophobicContact CE2-CB 3.56Å |
| 21 | K | 96.5 | Very high | 91.6 | Very high | 68 Ų | 68 | 79.2 Ų | 79.2 | 30% | 0.296 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 177 | -174.3 | 52.2 | 175.2 | 157.7 | 0 | 111.8 | I17 T18 E19 Q23 F24 D25 F76 | I17-K21 WeakPolarHBondContact O-CB 3.35Å; I17-K21 PolarHBondContact O-N 2.67Å; T18-K21 PolarHBondContact O-N 3.16Å; E19-K21 VanDerWaalsContact C-N 3.27Å; E19-K21 PolarHBondContact O-N 3.48Å; K21-Q23 PolarHBondContact O-N 3.45Å; K21-F24 PolarHBondContact O-N 2.96Å; K21-D25 VanDerWaalsContact CE-OD1 3.22Å; K21-D25 WeakPolarHBondContact CE-OD1 3.46Å; K21-D25 VanDerWaalsContact CE-OD2 3.28Å; K21-D25 WeakPolarHBondContact CE-OD2 3.24Å; K21-D25 IonicContact NZ-OD1 2.62Å; K21-D25 PolarHBondContact NZ-OD1 2.96Å; K21-D25 IonicContact NZ-OD2 3.61Å; K21-D25 WeakPolarHBondContact O-CB 3.19Å; K21-D25 VanDerWaalsContact O-CG 3.27Å; K21-D25 PolarHBondContact O-N 2.86Å; K21-F76 VanDerWaalsContact CA-CE2 3.41Å; K21-F76 HydrophobicContact CB-CE1 4.25Å; K21-F76 HydrophobicContact CB-CE2 3.8Å; K21-F76 HydrophobicContact CB-CZ 3.58Å; K21-F76 HydrophobicContact CD-CD1 4.05Å; K21-F76 HydrophobicContact CD-CD2 3.8Å; K21-F76 HydrophobicContact CD-CE1 4.08Å; K21-F76 HydrophobicContact CD-CE2 3.86Å; K21-F76 HydrophobicContact CD-CG 3.89Å; K21-F76 HydrophobicContact CD-CZ 3.99Å; K21-F76 HydrophobicContact CG-CE2 4.43Å; K21-F76 HydrophobicContact CG-CZ 4.27Å |
| 22 | A | 95.8 | Very high | 92.9 | Very high | 59 Ų | 59 | 74 Ų | 74 | 49% | 0.488 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T18 E19 A26 | T18-A22 PolarHBondContact O-N 3.3Å; T18-A22 VanDerWaalsContact O-N 3.09Å; E19-A22 WeakPolarHBondContact O-CB 3.5Å; E19-A22 PolarHBondContact O-N 2.94Å; E19-A22 VanDerWaalsContact O-N 3.13Å; A22-A26 PolarHBondContact O-N 3.21Å |
| 23 | Q | 96.2 | Very high | 93.5 | Very high | 60 Ų | 60 | 74.2 Ų | 74.2 | 28% | 0.28 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69.3 | -38.6 | 176.6 | -63.1 | -58.2 | -29.7 | 0 | 0 | 112.5 | E19 Y20 K21 A26 L43 V47 | E19-Q23 PolarHBondContact O-N 2.94Å; E19-Q23 VanDerWaalsContact O-N 3.08Å; Y20-Q23 PolarHBondContact O-N 3.39Å; K21-Q23 PolarHBondContact O-N 3.45Å; Q23-A26 PolarHBondContact O-N 3.43Å; Q23-L43 VanDerWaalsContact C-CD1 3.47Å; Q23-L43 HydrophobicContact CB-CD1 3.58Å; Q23-V47 HydrophobicContact CB-CG1 4Å; Q23-V47 HydrophobicContact CG-CG1 3.99Å |
| 24 | F | 97.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 73.6 Ų | 73.6 | 0% | 0.004 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62 | -48.9 | 174.9 | -175.2 | -77.2 | 0 | 0 | 0 | 110.8 | Y20 K21 A26 L27 D28 V35 L43 I74 F76 F79 | Y20-F24 WeakPolarHBondContact O-CB 3.11Å; Y20-F24 PolarHBondContact O-N 3.25Å; K21-F24 PolarHBondContact O-N 2.96Å; F24-A26 PolarHBondContact O-N 3.04Å; F24-L27 PolarHBondContact O-N 2.84Å; F24-D28 HydrophobicContact CD1-CB 4.3Å; F24-D28 HydrophobicContact CE1-CB 4.13Å; F24-D28 PolarHBondContact O-N 3.23Å; F24-V35 HydrophobicContact CD1-CG2 4.07Å; F24-V35 HydrophobicContact CD2-CG2 3.81Å; F24-V35 HydrophobicContact CE1-CG2 3.86Å; F24-V35 HydrophobicContact CE2-CB 3.99Å; F24-V35 HydrophobicContact CE2-CG2 3.6Å; F24-V35 HydrophobicContact CG-CG2 4.04Å; F24-V35 HydrophobicContact CZ-CB 4.18Å; F24-V35 HydrophobicContact CZ-CG2 3.63Å; F24-L43 HydrophobicContact CB-CD1 4.49Å; F24-L43 HydrophobicContact CB-CD2 4.14Å; F24-L43 HydrophobicContact CD2-CD2 3.61Å; F24-L43 HydrophobicContact CE2-CD2 4.46Å; F24-L43 HydrophobicContact CG-CD2 4.25Å; F24-I74 WeakPolarHBondContact CZ-O 3.28Å; F24-F76 HydrophobicContact CB-CD2 3.89Å; F24-F76 HydrophobicContact CB-CE2 4.28Å; F24-F76 HydrophobicContact CD1-CB 4.42Å; F24-F76 HydrophobicContact CD1-CD2 4.35Å; F24-F76 HydrophobicContact CD2-CB 4.36Å; F24-F76 AromaticContact CD2-CD2 3.88Å; F24-F76 HydrophobicContact CD2-CD2 3.88Å; F24-F76 HydrophobicContact CE1-CB 4.28Å; F24-F76 HydrophobicContact CE2-CB 4.21Å; F24-F76 HydrophobicContact CG-CB 4.48Å; F24-F76 AromaticContact CG-CD2 3.79Å; F24-F76 HydrophobicContact CG-CD2 3.79Å; F24-F76 HydrophobicContact CZ-CB 4.16Å; F24-F79 HydrophobicContact CD2-CB 4.18Å; F24-F79 HydrophobicContact CD2-CD1 4.19Å; F24-F79 HydrophobicContact CD2-CG 4.27Å; F24-F79 HydrophobicContact CE2-CB 4.24Å |
| 25 | D | 96 | Very high | 94.1 | Very high | 53 Ų | 53 | 65.7 Ų | 65.7 | 28% | 0.283 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.1 | -21.4 | -178.8 | -73.6 | -14.3 | 0 | 0 | 0 | 113.5 | K21 L27 K31 | K21-D25 VanDerWaalsContact CE-OD1 3.22Å; K21-D25 WeakPolarHBondContact CE-OD1 3.46Å; K21-D25 VanDerWaalsContact CE-OD2 3.28Å; K21-D25 WeakPolarHBondContact CE-OD2 3.24Å; K21-D25 IonicContact NZ-OD1 2.62Å; K21-D25 PolarHBondContact NZ-OD1 2.96Å; K21-D25 IonicContact NZ-OD2 3.61Å; K21-D25 WeakPolarHBondContact O-CB 3.19Å; K21-D25 VanDerWaalsContact O-CG 3.27Å; K21-D25 PolarHBondContact O-N 2.86Å; D25-L27 VanDerWaalsContact C-N 3.31Å; D25-K31 PolarHBondContact O-NZ 2.82Å |
| 26 | A | 94.8 | Very high | 94.2 | Very high | 50 Ų | 50 | 62.3 Ų | 62.3 | 41% | 0.413 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -73.6 | -23.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A22 Q23 F24 H29 | A22-A26 PolarHBondContact O-N 3.21Å; Q23-A26 PolarHBondContact O-N 3.43Å; F24-A26 PolarHBondContact O-N 3.04Å; A26-H29 PolarHBondContact O-CE1 2.96Å; A26-H29 PolarHBondContact O-ND1 3.48Å |
| 27 | L | 94 | Very high | 94.3 | Very high | 26 Ų | 26 | 62.2 Ų | 62.2 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -97.9 | -28.1 | 175.2 | -66.2 | 172 | 0 | 0 | 0 | 112.3 | F24 D25 H29 V35 D39 L43 | F24-L27 PolarHBondContact O-N 2.84Å; D25-L27 VanDerWaalsContact C-N 3.31Å; L27-H29 PolarHBondContact O-CD2 3.37Å; L27-H29 PolarHBondContact O-N 2.97Å; L27-V35 HydrophobicContact CB-CG1 4.35Å; L27-V35 HydrophobicContact CB-CG2 4Å; L27-V35 HydrophobicContact CD1-CG1 4.43Å; L27-D39 HydrophobicContact CD1-CB 4.49Å; L27-L43 HydrophobicContact CD1-CB 3.6Å; L27-L43 HydrophobicContact CD1-CD1 4.03Å; L27-L43 HydrophobicContact CD1-CG 4.24Å |
| 28 | D | 94.8 | Very high | 94.1 | Very high | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.032 | 35% | 0.353 | C | S | . | . | trans | -75 | 74.8 | 169.9 | -179.5 | 14.5 | 0 | 0 | 0 | 110.7 | F24 K31 T32 G33 V35 | F24-D28 HydrophobicContact CD1-CB 4.3Å; F24-D28 HydrophobicContact CE1-CB 4.13Å; F24-D28 PolarHBondContact O-N 3.23Å; D28-K31 PolarHBondContact O-NZ 3.32Å; D28-K31 VanDerWaalsContact OD1-CA 3.23Å; D28-K31 WeakPolarHBondContact OD1-CA 3.44Å; D28-K31 PolarHBondContact OD1-N 2.9Å; D28-T32 PolarHBondContact OD1-N 3.37Å; D28-T32 PolarHBondContact OD1-OG1 2.88Å; D28-G33 WeakPolarHBondContact OD2-CA 3.49Å; D28-G33 PolarHBondContact OD2-N 3.01Å; D28-V35 HydrophobicContact CB-CG2 4.47Å | ||
| 29 | H | 88 | Confident | 94 | Very high | 157 Ų | 157 | 62.5 Ų | 62.5 | 73% | 0.727 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -67.5 | -34.4 | -175.7 | -67.4 | -53.2 | 0 | 0 | 0 | 113.3 | A26 L27 | A26-H29 PolarHBondContact O-CE1 2.96Å; A26-H29 PolarHBondContact O-ND1 3.48Å; L27-H29 PolarHBondContact O-CD2 3.37Å; L27-H29 PolarHBondContact O-N 2.97Å |
| 30 | D | 90 | Very high | 93.9 | Very high | 116 Ų | 116 | 57.6 Ų | 57.6 | 62% | 0.62 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -96 | 0.9 | -176.5 | 64.4 | -4.2 | 0 | 0 | 0 | 113.8 | T32 | D30-T32 VanDerWaalsContact C-N 3.27Å; D30-T32 HydrophobicContact CB-CG2 4.4Å; D30-T32 PolarHBondContact O-N 3.21Å; D30-T32 WeakPolarHBondContact OD1-CB 3.49Å; D30-T32 WeakPolarHBondContact OD1-CG2 3.36Å; D30-T32 PolarHBondContact OD1-N 2.78Å; D30-T32 PolarHBondContact OD1-OG1 2.76Å; D30-T32 WeakPolarHBondContact OD2-CG2 3.22Å |
| 31 | K | 92.2 | Very high | 93.6 | Very high | 137 Ų | 137 | 58.4 Ų | 58.4 | 60% | 0.596 | 33% | 0.325 | S | S | * | . | trans | 60.5 | 38.6 | 178.6 | -54 | -59.7 | 171.3 | -151 | 0 | 112.1 | D25 D28 G33 | D25-K31 PolarHBondContact O-NZ 2.82Å; D28-K31 PolarHBondContact O-NZ 3.32Å; D28-K31 VanDerWaalsContact OD1-CA 3.23Å; D28-K31 WeakPolarHBondContact OD1-CA 3.44Å; D28-K31 PolarHBondContact OD1-N 2.9Å; K31-G33 VanDerWaalsContact C-N 3.25Å | ||
| 32 | T | 94.2 | Very high | 93.3 | Very high | 80 Ų | 80 | 58.3 Ų | 58.3 | 49% | 0.491 | 33% | 0.329 | S | S | . | . | trans | -76.7 | -15.1 | 172.6 | 50.8 | 0 | 0 | 0 | 0 | 112.7 | D28 D30 K34 | D28-T32 PolarHBondContact OD1-N 3.37Å; D28-T32 PolarHBondContact OD1-OG1 2.88Å; D30-T32 VanDerWaalsContact C-N 3.27Å; D30-T32 HydrophobicContact CB-CG2 4.4Å; D30-T32 PolarHBondContact O-N 3.21Å; D30-T32 WeakPolarHBondContact OD1-CB 3.49Å; D30-T32 WeakPolarHBondContact OD1-CG2 3.36Å; D30-T32 PolarHBondContact OD1-N 2.78Å; D30-T32 PolarHBondContact OD1-OG1 2.76Å; D30-T32 WeakPolarHBondContact OD2-CG2 3.22Å; T32-K34 PolarHBondContact OG1-N 2.95Å; T32-K34 PolarHBondContact OG1-O 3.12Å | ||
| 33 | G | 95.4 | Very high | 93.3 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 75.7 | 15.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D28 K31 | D28-G33 WeakPolarHBondContact OD2-CA 3.49Å; D28-G33 PolarHBondContact OD2-N 3.01Å; K31-G33 VanDerWaalsContact C-N 3.25Å |
| 34 | K | 95.7 | Very high | 93 | Very high | 63 Ų | 63 | 52.7 Ų | 52.7 | 27% | 0.274 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 147 | -176.3 | -59.8 | -171.7 | -176.9 | 175.9 | 0 | 110.9 | T32 E72 I74 T75 | T32-K34 PolarHBondContact OG1-N 2.95Å; T32-K34 PolarHBondContact OG1-O 3.12Å; K34-E72 VanDerWaalsContact CB-O 3.3Å; K34-E72 WeakPolarHBondContact CB-O 3.37Å; K34-E72 HydrophobicContact CD-CB 4.05Å; K34-E72 WeakPolarHBondContact CD-O 3.39Å; K34-E72 IonicContact NZ-OE2 2.64Å; K34-E72 PolarHBondContact NZ-OE2 3.44Å; K34-I74 WeakPolarHBondContact CA-O 3.48Å; K34-T75 HydrophobicContact CG-CG2 4.32Å |
| 35 | V | 95.9 | Very high | 92.7 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131.3 | 172.9 | 170.5 | 0 | 0 | 0 | 0 | 108.6 | F24 L27 D28 D39 V40 G73 I74 | F24-V35 HydrophobicContact CD1-CG2 4.07Å; F24-V35 HydrophobicContact CD2-CG2 3.81Å; F24-V35 HydrophobicContact CE1-CG2 3.86Å; F24-V35 HydrophobicContact CE2-CB 3.99Å; F24-V35 HydrophobicContact CE2-CG2 3.6Å; F24-V35 HydrophobicContact CG-CG2 4.04Å; F24-V35 HydrophobicContact CZ-CB 4.18Å; F24-V35 HydrophobicContact CZ-CG2 3.63Å; L27-V35 HydrophobicContact CB-CG1 4.35Å; L27-V35 HydrophobicContact CB-CG2 4Å; L27-V35 HydrophobicContact CD1-CG1 4.43Å; D28-V35 HydrophobicContact CB-CG2 4.47Å; V35-D39 HydrophobicContact CG1-CB 3.7Å; V35-V40 HydrophobicContact CG1-CG2 4.31Å; V35-G73 CarbonylContact O-C 3.47Å; V35-G73 WeakPolarHBondContact O-CA 3.39Å; V35-I74 PolarHBondContact N-O 3.03Å; V35-I74 PolarHBondContact O-N 3.05Å |
| 36 | L | 94.2 | Very high | 92.3 | Very high | 91 Ų | 91 | 61.3 Ų | 61.3 | 48% | 0.476 | 33% | 0.325 | S | S | . | . | trans | -67.7 | 146.5 | -178.4 | -61.7 | 179.3 | 0 | 0 | 0 | 111.1 | P38 D39 V40 | L36-P38 VanDerWaalsContact C-N 3.31Å; L36-P38 VanDerWaalsContact O-N 3.17Å; L36-D39 WeakPolarHBondContact O-CA 3.47Å; L36-D39 PolarHBondContact O-N 3.2Å; L36-V40 PolarHBondContact O-N 3.24Å | ||
| 37 | V | 92 | Very high | 92.1 | Very high | 32 Ų | 32 | 59.8 Ų | 59.8 | 19% | 0.194 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -48.8 | -42.6 | -178.2 | 170.2 | 0 | 0 | 0 | 0 | 113.9 | D39 V40 I60 A69 L70 I74 | V37-D39 PolarHBondContact O-N 3.1Å; V37-V40 WeakPolarHBondContact O-CB 3.44Å; V37-V40 PolarHBondContact O-N 3.44Å; V37-V40 VanDerWaalsContact O-N 3.13Å; V37-I60 HydrophobicContact CG1-CD1 3.93Å; V37-I60 HydrophobicContact CG2-CD1 4.41Å; V37-A69 HydrophobicContact CG2-CB 3.93Å; V37-A69 WeakPolarHBondContact CG2-O 3.24Å; V37-L70 HydrophobicContact CG1-CD2 4.49Å; V37-L70 HydrophobicContact CG2-CD2 4.4Å; V37-I74 HydrophobicContact CG2-CG1 4.48Å |
| 38 | P | 88.4 | Confident | 91.6 | Very high | 102 Ų | 102 | 61 Ų | 61 | 66% | 0.662 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60 | -28.3 | 176.7 | -25.4 | 36.5 | 0 | 0 | 0 | 114.5 | L36 | L36-P38 VanDerWaalsContact C-N 3.31Å; L36-P38 VanDerWaalsContact O-N 3.17Å |
| 39 | D | 92.5 | Very high | 91.3 | Very high | 65 Ų | 65 | 61.2 Ų | 61.2 | 35% | 0.348 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -90.2 | -12.6 | -179.4 | -63.4 | -48.1 | 0 | 0 | 0 | 112.6 | L27 V35 L36 V37 T41 V42 L43 | L27-D39 HydrophobicContact CD1-CB 4.49Å; V35-D39 HydrophobicContact CG1-CB 3.7Å; L36-D39 WeakPolarHBondContact O-CA 3.47Å; L36-D39 PolarHBondContact O-N 3.2Å; V37-D39 PolarHBondContact O-N 3.1Å; D39-T41 VanDerWaalsContact C-N 3.33Å; D39-T41 PolarHBondContact O-N 3.17Å; D39-V42 WeakPolarHBondContact O-CB 3.35Å; D39-V42 PolarHBondContact O-N 3.43Å; D39-V42 VanDerWaalsContact O-N 3.17Å; D39-L43 PolarHBondContact O-N 3.4Å |
| 40 | V | 92.4 | Very high | 91 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.1 | -41 | 178.5 | 174.1 | 0 | 0 | 0 | 0 | 111 | V35 L36 V37 V42 L43 I44 I60 I74 | V35-V40 HydrophobicContact CG1-CG2 4.31Å; L36-V40 PolarHBondContact O-N 3.24Å; V37-V40 WeakPolarHBondContact O-CB 3.44Å; V37-V40 PolarHBondContact O-N 3.44Å; V37-V40 VanDerWaalsContact O-N 3.13Å; V40-V42 VanDerWaalsContact C-N 3.3Å; V40-V42 PolarHBondContact O-N 2.94Å; V40-L43 WeakPolarHBondContact O-CB 3.4Å; V40-L43 PolarHBondContact O-N 2.77Å; V40-I44 HydrophobicContact CG1-CD1 3.59Å; V40-I44 HydrophobicContact CG1-CG1 4.13Å; V40-I44 VanDerWaalsContact O-CG1 3.27Å; V40-I44 WeakPolarHBondContact O-CG1 3.28Å; V40-I44 PolarHBondContact O-N 2.92Å; V40-I60 HydrophobicContact CB-CD1 4.29Å; V40-I60 HydrophobicContact CG1-CD1 4.05Å; V40-I74 HydrophobicContact CG2-CB 4.17Å; V40-I74 HydrophobicContact CG2-CG1 3.97Å |
| 41 | T | 89.8 | Confident | 90.8 | Very high | 27 Ų | 27 | 55.6 Ų | 55.6 | 17% | 0.166 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 175.2 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | D39 R45 I56 | D39-T41 VanDerWaalsContact C-N 3.33Å; D39-T41 PolarHBondContact O-N 3.17Å; T41-R45 WeakPolarHBondContact O-CB 3.3Å; T41-R45 VanDerWaalsContact O-CG 3.31Å; T41-R45 WeakPolarHBondContact O-CG 3.5Å; T41-R45 PolarHBondContact O-N 2.84Å; T41-R45 VanDerWaalsContact O-N 3.1Å; T41-I56 HydrophobicContact CG2-CD1 3.65Å; T41-I56 WeakPolarHBondContact OG1-CD1 3.35Å |
| 42 | V | 90.6 | Very high | 90.3 | Very high | 65 Ų | 65 | 50.6 Ų | 50.6 | 39% | 0.394 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 177.5 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | D39 V40 R45 K46 | D39-V42 WeakPolarHBondContact O-CB 3.35Å; D39-V42 PolarHBondContact O-N 3.43Å; D39-V42 VanDerWaalsContact O-N 3.17Å; V40-V42 VanDerWaalsContact C-N 3.3Å; V40-V42 PolarHBondContact O-N 2.94Å; V42-R45 PolarHBondContact O-N 3.09Å; V42-K46 HydrophobicContact CG1-CD 4.27Å; V42-K46 HydrophobicContact CG1-CG 4.47Å; V42-K46 WeakPolarHBondContact O-CB 3.35Å; V42-K46 WeakPolarHBondContact O-CG 3.47Å; V42-K46 PolarHBondContact O-N 2.65Å |
| 43 | L | 94.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.1 | -48.9 | 178.3 | -178.1 | 54.8 | 0 | 0 | 0 | 112.2 | Q23 F24 L27 D39 V40 R45 K46 V47 F79 | Q23-L43 VanDerWaalsContact C-CD1 3.47Å; Q23-L43 HydrophobicContact CB-CD1 3.58Å; F24-L43 HydrophobicContact CB-CD1 4.49Å; F24-L43 HydrophobicContact CB-CD2 4.14Å; F24-L43 HydrophobicContact CD2-CD2 3.61Å; F24-L43 HydrophobicContact CE2-CD2 4.46Å; F24-L43 HydrophobicContact CG-CD2 4.25Å; L27-L43 HydrophobicContact CD1-CB 3.6Å; L27-L43 HydrophobicContact CD1-CD1 4.03Å; L27-L43 HydrophobicContact CD1-CG 4.24Å; D39-L43 PolarHBondContact O-N 3.4Å; V40-L43 WeakPolarHBondContact O-CB 3.4Å; V40-L43 PolarHBondContact O-N 2.77Å; L43-R45 VanDerWaalsContact C-N 3.3Å; L43-R45 PolarHBondContact O-N 3.14Å; L43-K46 WeakPolarHBondContact O-CB 3.23Å; L43-K46 PolarHBondContact O-N 3.48Å; L43-V47 HydrophobicContact CD1-CG1 4.49Å; L43-V47 PolarHBondContact O-N 3.1Å; L43-V47 VanDerWaalsContact O-N 3.15Å; L43-F79 HydrophobicContact CB-CE2 4.39Å; L43-F79 HydrophobicContact CD1-CZ 4.18Å; L43-F79 HydrophobicContact CD2-CD1 4.05Å; L43-F79 HydrophobicContact CD2-CD2 3.65Å; L43-F79 HydrophobicContact CD2-CE1 4Å; L43-F79 HydrophobicContact CD2-CE2 3.63Å; L43-F79 HydrophobicContact CD2-CG 3.87Å; L43-F79 HydrophobicContact CD2-CZ 3.81Å; L43-F79 HydrophobicContact CG-CD2 4.12Å; L43-F79 HydrophobicContact CG-CE1 4.16Å; L43-F79 HydrophobicContact CG-CE2 3.56Å; L43-F79 HydrophobicContact CG-CZ 3.59Å |
| 44 | I | 91.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 179.7 | -66.6 | 168.6 | 0 | 0 | 0 | 110 | V40 K46 V47 L49 P51 I56 F79 I82 M86 | V40-I44 HydrophobicContact CG1-CD1 3.59Å; V40-I44 HydrophobicContact CG1-CG1 4.13Å; V40-I44 VanDerWaalsContact O-CG1 3.27Å; V40-I44 WeakPolarHBondContact O-CG1 3.28Å; V40-I44 PolarHBondContact O-N 2.92Å; I44-K46 PolarHBondContact O-N 3.19Å; I44-V47 WeakPolarHBondContact O-CG2 3.46Å; I44-V47 PolarHBondContact O-N 2.76Å; I44-L49 CarbonylContact C-O 3.54Å; I44-L49 HydrophobicContact CG2-CB 3.41Å; I44-L49 VanDerWaalsContact CG2-CB 3.41Å; I44-L49 HydrophobicContact CG2-CD1 4.12Å; I44-L49 HydrophobicContact CG2-CG 4.4Å; I44-L49 WeakPolarHBondContact O-CB 3.47Å; I44-L49 PolarHBondContact O-N 2.81Å; I44-L49 VanDerWaalsContact O-N 3.11Å; I44-P51 HydrophobicContact CB-CG 4.42Å; I44-P51 HydrophobicContact CG2-CG 3.69Å; I44-I56 HydrophobicContact CD1-CG1 4.09Å; I44-F79 HydrophobicContact CG1-CD2 4.37Å; I44-F79 HydrophobicContact CG1-CE2 3.8Å; I44-I82 HydrophobicContact CD1-CG2 3.83Å; I44-M86 HydrophobicContact CG2-CE 4.21Å; I44-M86 HydrophobicContact CG2-SD 3.63Å |
| 45 | R | 89.4 | Confident | 88.9 | Confident | 136 Ų | 136 | 52.6 Ų | 52.6 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 175.8 | -70.5 | 175.8 | -177.6 | 175.2 | 2.4 | 113.4 | T41 V42 L43 V47 G48 L49 | T41-R45 WeakPolarHBondContact O-CB 3.3Å; T41-R45 VanDerWaalsContact O-CG 3.31Å; T41-R45 WeakPolarHBondContact O-CG 3.5Å; T41-R45 PolarHBondContact O-N 2.84Å; T41-R45 VanDerWaalsContact O-N 3.1Å; V42-R45 PolarHBondContact O-N 3.09Å; L43-R45 VanDerWaalsContact C-N 3.3Å; L43-R45 PolarHBondContact O-N 3.14Å; R45-V47 PolarHBondContact O-N 3.17Å; R45-G48 PolarHBondContact O-N 3.46Å; R45-G48 VanDerWaalsContact O-N 3.09Å; R45-L49 VanDerWaalsContact CA-O 3.23Å; R45-L49 WeakPolarHBondContact CA-O 3.45Å; R45-L49 PolarHBondContact N-O 2.84Å |
| 46 | K | 88.9 | Confident | 88.6 | Confident | 100 Ų | 100 | 52.8 Ų | 52.8 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.1 | -29.2 | 176.4 | -83.5 | -179 | 172.9 | -171.8 | 0 | 113.3 | V42 L43 I44 G48 | V42-K46 HydrophobicContact CG1-CD 4.27Å; V42-K46 HydrophobicContact CG1-CG 4.47Å; V42-K46 WeakPolarHBondContact O-CB 3.35Å; V42-K46 WeakPolarHBondContact O-CG 3.47Å; V42-K46 PolarHBondContact O-N 2.65Å; L43-K46 WeakPolarHBondContact O-CB 3.23Å; L43-K46 PolarHBondContact O-N 3.48Å; I44-K46 PolarHBondContact O-N 3.19Å; K46-G48 VanDerWaalsContact C-N 3.26Å |
| 47 | V | 89.6 | Confident | 88.4 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 13.9 | 176.5 | -58.2 | 0 | 0 | 0 | 0 | 113.3 | Y20 Q23 L43 I44 R45 L49 F79 | Y20-V47 HydrophobicContact CD1-CB 3.7Å; Y20-V47 HydrophobicContact CD1-CG1 3.56Å; Y20-V47 HydrophobicContact CD1-CG2 4.36Å; Y20-V47 HydrophobicContact CE1-CB 3.46Å; Y20-V47 VanDerWaalsContact CE1-CB 3.46Å; Y20-V47 HydrophobicContact CE1-CG1 3.9Å; Y20-V47 HydrophobicContact CE1-CG2 3.97Å; Y20-V47 HydrophobicContact CG-CG1 4.19Å; Q23-V47 HydrophobicContact CB-CG1 4Å; Q23-V47 HydrophobicContact CG-CG1 3.99Å; L43-V47 HydrophobicContact CD1-CG1 4.49Å; L43-V47 PolarHBondContact O-N 3.1Å; L43-V47 VanDerWaalsContact O-N 3.15Å; I44-V47 WeakPolarHBondContact O-CG2 3.46Å; I44-V47 PolarHBondContact O-N 2.76Å; R45-V47 PolarHBondContact O-N 3.17Å; V47-L49 HydrophobicContact CG2-CD1 4.13Å; V47-L49 HydrophobicContact CG2-CG 4.25Å; V47-F79 HydrophobicContact CG1-CZ 4.08Å; V47-F79 HydrophobicContact CG2-CZ 3.91Å |
| 48 | G | 84.8 | Confident | 88.4 | Confident | 52 Ų | 52 | 58.8 Ų | 58.8 | 54% | 0.536 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 10.3 | 174 | 0 | 0 | 0 | 0 | 0 | 115.1 | R45 K46 | R45-G48 PolarHBondContact O-N 3.46Å; R45-G48 VanDerWaalsContact O-N 3.09Å; K46-G48 VanDerWaalsContact C-N 3.26Å |
| 49 | L | 87.1 | Confident | 88.6 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | trans | -97.9 | 136.7 | 176.6 | -64.4 | 174.8 | 0 | 0 | 0 | 110 | I44 R45 V47 P51 A83 M86 | I44-L49 CarbonylContact C-O 3.54Å; I44-L49 HydrophobicContact CG2-CB 3.41Å; I44-L49 VanDerWaalsContact CG2-CB 3.41Å; I44-L49 HydrophobicContact CG2-CD1 4.12Å; I44-L49 HydrophobicContact CG2-CG 4.4Å; I44-L49 WeakPolarHBondContact O-CB 3.47Å; I44-L49 PolarHBondContact O-N 2.81Å; I44-L49 VanDerWaalsContact O-N 3.11Å; R45-L49 VanDerWaalsContact CA-O 3.23Å; R45-L49 WeakPolarHBondContact CA-O 3.45Å; R45-L49 PolarHBondContact N-O 2.84Å; V47-L49 HydrophobicContact CG2-CD1 4.13Å; V47-L49 HydrophobicContact CG2-CG 4.25Å; L49-P51 VanDerWaalsContact C-CD 3.48Å; L49-P51 VanDerWaalsContact O-CD 3.24Å; L49-P51 WeakPolarHBondContact O-CD 3.42Å; L49-A83 HydrophobicContact CD1-CB 3.76Å; L49-M86 HydrophobicContact CB-CE 3.91Å; L49-M86 HydrophobicContact CB-SD 4.27Å; L49-M86 HydrophobicContact CD1-CB 4.01Å; L49-M86 HydrophobicContact CD1-SD 4.14Å; L49-M86 HydrophobicContact CD2-CB 4.29Å | ||
| 50 | M | 82.9 | Confident | 88.7 | Confident | 147 Ų | 147 | 52.3 Ų | 52.3 | 72% | 0.724 | 27% | 0.27 | S | S | * | . | trans | -119.8 | 72.3 | -175.2 | -64.4 | -173.3 | 66.6 | 0 | 0 | 111.8 | L160 | M50-L160 HydrophobicContact SD-CD2 3.86Š| ||
| 51 | P | 84.6 | Confident | 88.7 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 5% | 0.045 | 30% | 0.296 | C | S | . | . | trans | -77.7 | 155.7 | 176.3 | 33.4 | -34 | 0 | 0 | 0 | 111.7 | I44 L49 E55 I56 M86 | I44-P51 HydrophobicContact CB-CG 4.42Å; I44-P51 HydrophobicContact CG2-CG 3.69Å; L49-P51 VanDerWaalsContact C-CD 3.48Å; L49-P51 VanDerWaalsContact O-CD 3.24Å; L49-P51 WeakPolarHBondContact O-CD 3.42Å; P51-E55 HydrophobicContact CB-CB 4.23Å; P51-I56 HydrophobicContact CB-CD1 4.03Å; P51-I56 HydrophobicContact CB-CG1 3.67Å; P51-I56 HydrophobicContact CG-CD1 3.39Å; P51-I56 HydrophobicContact CG-CG1 3.39Å; P51-M86 HydrophobicContact CB-CE 3.39Å; P51-M86 HydrophobicContact CB-SD 3.97Å; P51-M86 HydrophobicContact CG-CE 3.81Å; P51-M86 HydrophobicContact CG-SD 4.13Å | ||
| 52 | S | 82.6 | Confident | 88.9 | Confident | 32 Ų | 32 | 57.8 Ų | 57.8 | 22% | 0.224 | 31% | 0.307 | C | S | . | . | trans | -68.6 | 161.8 | 156.5 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | L54 E55 I56 E125 | S52-L54 VanDerWaalsContact C-N 3.29Å; S52-L54 PolarHBondContact O-N 3.05Å; S52-E55 WeakPolarHBondContact CB-OE2 3.35Å; S52-E55 PolarHBondContact N-OE2 3.35Å; S52-E55 PolarHBondContact O-N 2.93Å; S52-E55 WeakPolarHBondContact OG-CB 3.44Å; S52-E55 VanDerWaalsContact OG-CD 3.28Å; S52-E55 WeakPolarHBondContact OG-CG 3.39Å; S52-E55 PolarHBondContact OG-N 3.02Å; S52-E55 PolarHBondContact OG-OE2 2.94Å; S52-I56 WeakPolarHBondContact O-CG1 3.36Å; S52-I56 PolarHBondContact O-N 3.13Å; S52-E125 WeakPolarHBondContact CB-OE2 3.41Å | ||
| 53 | N | 83.5 | Confident | 89 | Confident | 70 Ų | 70 | 55.1 Ų | 55.1 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.6 | -34.6 | 177 | -44.1 | -65.1 | 0 | 0 | 0 | 111.1 | I56 E57 E125 | N53-I56 PolarHBondContact O-N 3.44Å; N53-E57 WeakPolarHBondContact O-CG 3.23Å; N53-E57 PolarHBondContact O-N 3.37Å; N53-E125 WeakPolarHBondContact CA-OE1 3.18Å; N53-E125 WeakPolarHBondContact CB-OE1 3.18Å; N53-E125 VanDerWaalsContact CG-OE1 3.3Å; N53-E125 VanDerWaalsContact N-CD 3.32Å; N53-E125 PolarHBondContact N-OE1 3.4Å; N53-E125 PolarHBondContact N-OE2 3.5Å; N53-E125 VanDerWaalsContact N-OE2 3.1Å; N53-E125 PolarHBondContact ND2-OE1 3.48Å; N53-E125 PolarHBondContact ND2-OE2 3.17Å |
| 54 | L | 85.6 | Confident | 89 | Confident | 79 Ų | 79 | 55.7 Ų | 55.7 | 41% | 0.414 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.1 | -47.6 | 174.9 | -178.4 | 61.9 | 0 | 0 | 0 | 112.1 | S52 I56 E57 E58 E125 | S52-L54 VanDerWaalsContact C-N 3.29Å; S52-L54 PolarHBondContact O-N 3.05Å; L54-I56 VanDerWaalsContact C-N 3.29Å; L54-I56 PolarHBondContact O-N 3.21Å; L54-E57 PolarHBondContact O-N 3.46Å; L54-E58 HydrophobicContact CD1-CG 4.31Å; L54-E58 WeakPolarHBondContact O-CG 3.45Å; L54-E58 PolarHBondContact O-N 3.41Å; L54-E125 PolarHBondContact N-OE1 2.91Å |
| 55 | E | 87.1 | Confident | 89.1 | Confident | 67 Ų | 67 | 62.5 Ų | 62.5 | 31% | 0.313 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.4 | -39.7 | 176.7 | -74.8 | 164.6 | 136.8 | 0 | 0 | 111.6 | P51 S52 E58 L59 | P51-E55 HydrophobicContact CB-CB 4.23Å; S52-E55 WeakPolarHBondContact CB-OE2 3.35Å; S52-E55 PolarHBondContact N-OE2 3.35Å; S52-E55 PolarHBondContact O-N 2.93Å; S52-E55 WeakPolarHBondContact OG-CB 3.44Å; S52-E55 VanDerWaalsContact OG-CD 3.28Å; S52-E55 WeakPolarHBondContact OG-CG 3.39Å; S52-E55 PolarHBondContact OG-N 3.02Å; S52-E55 PolarHBondContact OG-OE2 2.94Å; E55-E58 PolarHBondContact O-N 2.71Å; E55-L59 VanDerWaalsContact O-CB 3.25Å; E55-L59 WeakPolarHBondContact O-CB 3.29Å; E55-L59 WeakPolarHBondContact O-CD1 3.48Å; E55-L59 WeakPolarHBondContact O-CG 3.34Å; E55-L59 PolarHBondContact O-N 3.18Å |
| 56 | I | 89.3 | Confident | 89.2 | Confident | 6 Ų | 6 | 63.5 Ų | 63.5 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 175.9 | -69 | 159 | 0 | 0 | 0 | 110.9 | T41 I44 P51 S52 N53 L54 E58 L59 I60 | T41-I56 HydrophobicContact CG2-CD1 3.65Å; T41-I56 WeakPolarHBondContact OG1-CD1 3.35Å; I44-I56 HydrophobicContact CD1-CG1 4.09Å; P51-I56 HydrophobicContact CB-CD1 4.03Å; P51-I56 HydrophobicContact CB-CG1 3.67Å; P51-I56 HydrophobicContact CG-CD1 3.39Å; P51-I56 HydrophobicContact CG-CG1 3.39Å; S52-I56 WeakPolarHBondContact O-CG1 3.36Å; S52-I56 PolarHBondContact O-N 3.13Å; N53-I56 PolarHBondContact O-N 3.44Å; L54-I56 VanDerWaalsContact C-N 3.29Å; L54-I56 PolarHBondContact O-N 3.21Å; I56-E58 VanDerWaalsContact C-N 3.34Å; I56-E58 PolarHBondContact O-N 2.81Å; I56-L59 PolarHBondContact O-N 2.94Å; I56-I60 HydrophobicContact CG2-CD1 3.54Å; I56-I60 HydrophobicContact CG2-CG1 4.19Å; I56-I60 VanDerWaalsContact O-CB 3.31Å; I56-I60 WeakPolarHBondContact O-CB 3.3Å; I56-I60 VanDerWaalsContact O-CG1 3.26Å; I56-I60 WeakPolarHBondContact O-CG1 3.48Å; I56-I60 PolarHBondContact O-N 2.89Å |
| 57 | E | 90.2 | Very high | 89.3 | Confident | 133 Ų | 133 | 67.3 Ų | 67.3 | 62% | 0.621 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.8 | -45.6 | 179.2 | -73.6 | 178.7 | -170.3 | 0 | 0 | 111.4 | N53 L54 A61 | N53-E57 WeakPolarHBondContact O-CG 3.23Å; N53-E57 PolarHBondContact O-N 3.37Å; L54-E57 PolarHBondContact O-N 3.46Å; E57-A61 WeakPolarHBondContact O-CB 3.42Å; E57-A61 PolarHBondContact O-N 2.73Å |
| 58 | E | 91.6 | Very high | 89.5 | Confident | 117 Ų | 117 | 68.6 Ų | 68.6 | 55% | 0.547 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 177.1 | -71.3 | -177.1 | 164.5 | 0 | 0 | 111.7 | L54 E55 I56 A61 D62 | L54-E58 HydrophobicContact CD1-CG 4.31Å; L54-E58 WeakPolarHBondContact O-CG 3.45Å; L54-E58 PolarHBondContact O-N 3.41Å; E55-E58 PolarHBondContact O-N 2.71Å; I56-E58 VanDerWaalsContact C-N 3.34Å; I56-E58 PolarHBondContact O-N 2.81Å; E58-A61 PolarHBondContact O-N 3.32Å; E58-D62 WeakPolarHBondContact O-CB 3.48Å; E58-D62 PolarHBondContact O-N 2.88Å |
| 59 | L | 92.7 | Very high | 89.8 | Confident | 14 Ų | 14 | 66.2 Ų | 66.2 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 179.6 | -72.2 | 168.9 | 0 | 0 | 0 | 112.3 | E55 I56 D62 V63 I82 R85 M86 | E55-L59 VanDerWaalsContact O-CB 3.25Å; E55-L59 WeakPolarHBondContact O-CB 3.29Å; E55-L59 WeakPolarHBondContact O-CD1 3.48Å; E55-L59 WeakPolarHBondContact O-CG 3.34Å; E55-L59 PolarHBondContact O-N 3.18Å; I56-L59 PolarHBondContact O-N 2.94Å; L59-D62 WeakPolarHBondContact O-CB 3.47Å; L59-D62 PolarHBondContact O-N 3.11Å; L59-V63 PolarHBondContact O-N 3.09Å; L59-V63 VanDerWaalsContact O-N 3.09Å; L59-I82 HydrophobicContact CB-CG1 4.21Å; L59-I82 HydrophobicContact CB-CG2 4.04Å; L59-I82 HydrophobicContact CD1-CG2 4.02Å; L59-R85 HydrophobicContact CD2-CB 3.86Å; L59-R85 HydrophobicContact CD2-CG 4.46Å; L59-M86 HydrophobicContact CD1-CG 3.46Å; L59-M86 VanDerWaalsContact CD1-CG 3.46Å; L59-M86 HydrophobicContact CD1-SD 4.03Å |
| 60 | I | 93.8 | Very high | 90 | Very high | 17 Ų | 17 | 73 Ų | 73 | 9% | 0.087 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.7 | -49.2 | 174.6 | -75.1 | 174.4 | 0 | 0 | 0 | 110.2 | V37 V40 I56 D62 V63 D64 A69 I74 I82 | V37-I60 HydrophobicContact CG1-CD1 3.93Å; V37-I60 HydrophobicContact CG2-CD1 4.41Å; V40-I60 HydrophobicContact CB-CD1 4.29Å; V40-I60 HydrophobicContact CG1-CD1 4.05Å; I56-I60 HydrophobicContact CG2-CD1 3.54Å; I56-I60 HydrophobicContact CG2-CG1 4.19Å; I56-I60 VanDerWaalsContact O-CB 3.31Å; I56-I60 WeakPolarHBondContact O-CB 3.3Å; I56-I60 VanDerWaalsContact O-CG1 3.26Å; I56-I60 WeakPolarHBondContact O-CG1 3.48Å; I56-I60 PolarHBondContact O-N 2.89Å; I60-D62 PolarHBondContact O-N 3.03Å; I60-V63 PolarHBondContact O-N 2.72Å; I60-D64 WeakPolarHBondContact O-CB 3.39Å; I60-D64 PolarHBondContact O-N 3.18Å; I60-A69 HydrophobicContact CG2-CB 4.33Å; I60-I74 HydrophobicContact CG1-CD1 4.46Å; I60-I74 HydrophobicContact CG2-CD1 4.1Å; I60-I82 HydrophobicContact CG1-CD1 3.88Å |
| 61 | A | 93.6 | Very high | 90.4 | Very high | 67 Ų | 67 | 73.1 Ų | 73.1 | 55% | 0.554 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.1 | -32.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E57 E58 | E57-A61 WeakPolarHBondContact O-CB 3.42Å; E57-A61 PolarHBondContact O-N 2.73Å; E58-A61 PolarHBondContact O-N 3.32Å |
| 62 | D | 93.3 | Very high | 90.8 | Very high | 75 Ų | 75 | 77.2 Ų | 77.2 | 40% | 0.401 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -74.2 | -32.9 | 178.4 | -101.5 | 9.1 | 0 | 0 | 0 | 114.3 | E58 L59 I60 K65 R85 | E58-D62 WeakPolarHBondContact O-CB 3.48Å; E58-D62 PolarHBondContact O-N 2.88Å; L59-D62 WeakPolarHBondContact O-CB 3.47Å; L59-D62 PolarHBondContact O-N 3.11Å; I60-D62 PolarHBondContact O-N 3.03Å; D62-K65 WeakPolarHBondContact O-CE 3.49Å; D62-K65 PolarHBondContact O-NZ 3.46Å; D62-R85 IonicContact OD2-CZ 2.71Å; D62-R85 IonicContact OD2-NH1 3.3Å; D62-R85 PolarHBondContact OD2-NH1 3.5Å |
| 63 | V | 93.2 | Very high | 91.4 | Very high | 9 Ų | 9 | 75.8 Ų | 75.8 | 6% | 0.055 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -95.3 | -21.8 | 178.9 | -56.5 | 0 | 0 | 0 | 0 | 113.1 | L59 I60 K65 I74 Q78 E81 I82 | L59-V63 PolarHBondContact O-N 3.09Å; L59-V63 VanDerWaalsContact O-N 3.09Å; I60-V63 PolarHBondContact O-N 2.72Å; V63-K65 PolarHBondContact O-N 3.35Å; V63-K65 VanDerWaalsContact O-N 3.14Å; V63-I74 HydrophobicContact CG2-CD1 4.39Å; V63-Q78 HydrophobicContact CB-CB 4.28Å; V63-Q78 HydrophobicContact CB-CG 4.29Å; V63-Q78 HydrophobicContact CG2-CB 3.92Å; V63-Q78 HydrophobicContact CG2-CG 4.25Å; V63-Q78 PolarHBondContact O-NE2 3.46Å; V63-Q78 VanDerWaalsContact O-NE2 3.08Å; V63-E81 HydrophobicContact CG1-CB 4Å; V63-E81 HydrophobicContact CG1-CG 3.79Å; V63-I82 HydrophobicContact CB-CG1 4.42Å; V63-I82 HydrophobicContact CG1-CG1 3.86Å; V63-I82 HydrophobicContact CG2-CD1 3.67Å; V63-I82 HydrophobicContact CG2-CG1 3.71Å |
| 64 | D | 94.5 | Very high | 92 | Very high | 13 Ų | 13 | 72.5 Ų | 72.5 | 7% | 0.07 | 36% | 0.363 | C | S | . | . | trans | -87.9 | 69 | 178.4 | -175.1 | 25.8 | 0 | 0 | 0 | 112 | I60 E66 K67 T68 A69 | I60-D64 WeakPolarHBondContact O-CB 3.39Å; I60-D64 PolarHBondContact O-N 3.18Å; D64-E66 PolarHBondContact O-N 2.9Å; D64-K67 PolarHBondContact O-N 3.48Å; D64-K67 VanDerWaalsContact O-N 3.11Å; D64-K67 PolarHBondContact OD1-N 2.82Å; D64-K67 WeakPolarHBondContact OD2-CA 3.28Å; D64-T68 PolarHBondContact OD1-N 2.93Å; D64-T68 PolarHBondContact OD2-N 3.22Å; D64-A69 HydrophobicContact CB-CB 3.94Å; D64-A69 VanDerWaalsContact CG-CB 3.44Å; D64-A69 PolarHBondContact OD1-N 3.45Å; D64-A69 WeakPolarHBondContact OD2-CB 3.46Å; D64-A69 PolarHBondContact OD2-N 2.91Å | ||
| 65 | K | 92.4 | Very high | 92.5 | Very high | 144 Ų | 144 | 71 Ų | 71 | 63% | 0.626 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -32 | -177.4 | -59.3 | -49.9 | -169.3 | -169.3 | 0 | 113.6 | D62 V63 K67 | D62-K65 WeakPolarHBondContact O-CE 3.49Å; D62-K65 PolarHBondContact O-NZ 3.46Å; V63-K65 PolarHBondContact O-N 3.35Å; V63-K65 VanDerWaalsContact O-N 3.14Å; K65-K67 VanDerWaalsContact C-N 3.34Å |
| 66 | E | 92.3 | Very high | 92.9 | Very high | 157 Ų | 157 | 69.2 Ų | 69.2 | 73% | 0.734 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -6.3 | -179.1 | -57.2 | -55.3 | 133.1 | 0 | 0 | 112.9 | D64 T68 | D64-E66 PolarHBondContact O-N 2.9Å; E66-T68 VanDerWaalsContact C-N 3.26Å; E66-T68 HydrophobicContact CB-CG2 3.94Å; E66-T68 PolarHBondContact O-N 3.19Å |
| 67 | K | 91.8 | Very high | 93.2 | Very high | 179 Ų | 179 | 75 Ų | 75 | 78% | 0.778 | 38% | 0.379 | S | S | * | . | S | Bend | trans | 58.1 | 36 | -178.4 | -57.9 | -173.7 | 176.4 | -174.2 | 0 | 113.2 | D64 K65 | D64-K67 PolarHBondContact O-N 3.48Å; D64-K67 VanDerWaalsContact O-N 3.11Å; D64-K67 PolarHBondContact OD1-N 2.82Å; D64-K67 WeakPolarHBondContact OD2-CA 3.28Å; K65-K67 VanDerWaalsContact C-N 3.34Å |
| 68 | T | 92.6 | Very high | 93.5 | Very high | 45 Ų | 45 | 70.4 Ų | 70.4 | 28% | 0.276 | 36% | 0.357 | S | S | . | . | trans | -100.5 | -11.3 | -178.7 | 63 | 0 | 0 | 0 | 0 | 112.9 | D64 E66 L70 I71 E72 | D64-T68 PolarHBondContact OD1-N 2.93Å; D64-T68 PolarHBondContact OD2-N 3.22Å; E66-T68 VanDerWaalsContact C-N 3.26Å; E66-T68 HydrophobicContact CB-CG2 3.94Å; E66-T68 PolarHBondContact O-N 3.19Å; T68-L70 VanDerWaalsContact C-N 3.27Å; T68-L70 PolarHBondContact O-N 3.5Å; T68-L70 VanDerWaalsContact O-N 3.16Å; T68-I71 PolarHBondContact O-N 2.92Å; T68-E72 PolarHBondContact O-N 3.45Å | ||
| 69 | A | 91.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.5 | -33.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V37 I60 D64 I71 G73 I74 | V37-A69 HydrophobicContact CG2-CB 3.93Å; V37-A69 WeakPolarHBondContact CG2-O 3.24Å; I60-A69 HydrophobicContact CG2-CB 4.33Å; D64-A69 HydrophobicContact CB-CB 3.94Å; D64-A69 VanDerWaalsContact CG-CB 3.44Å; D64-A69 PolarHBondContact OD1-N 3.45Å; D64-A69 WeakPolarHBondContact OD2-CB 3.46Å; D64-A69 PolarHBondContact OD2-N 2.91Å; A69-I71 PolarHBondContact O-N 3.48Å; A69-G73 WeakPolarHBondContact O-CA 3.49Å; A69-G73 PolarHBondContact O-N 2.8Å; A69-I74 HydrophobicContact CB-CD1 3.41Å; A69-I74 VanDerWaalsContact CB-CD1 3.41Å; A69-I74 HydrophobicContact CB-CG1 4.04Å |
| 70 | L | 90.6 | Very high | 93.7 | Very high | 153 Ų | 153 | 65.1 Ų | 65.1 | 80% | 0.801 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.9 | -27.7 | 177.6 | -70.3 | 176.7 | 0 | 0 | 0 | 113.3 | V37 T68 | V37-L70 HydrophobicContact CG1-CD2 4.49Å; V37-L70 HydrophobicContact CG2-CD2 4.4Å; T68-L70 VanDerWaalsContact C-N 3.27Å; T68-L70 PolarHBondContact O-N 3.5Å; T68-L70 VanDerWaalsContact O-N 3.16Å |
| 71 | I | 91.7 | Very high | 93.7 | Very high | 151 Ų | 151 | 68.5 Ų | 68.5 | 77% | 0.774 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -102.1 | -45.5 | -178.1 | -59.8 | 174.6 | 0 | 0 | 0 | 110.4 | T68 A69 | T68-I71 PolarHBondContact O-N 2.92Å; A69-I71 PolarHBondContact O-N 3.48Å |
| 72 | E | 93.2 | Very high | 93.6 | Very high | 93 Ų | 93 | 65.3 Ų | 65.3 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -97.8 | -19.3 | -170.6 | -59.9 | -171.1 | 176.6 | 0 | 0 | 113.3 | K34 T68 | K34-E72 VanDerWaalsContact CB-O 3.3Å; K34-E72 WeakPolarHBondContact CB-O 3.37Å; K34-E72 HydrophobicContact CD-CB 4.05Å; K34-E72 WeakPolarHBondContact CD-O 3.39Å; K34-E72 IonicContact NZ-OE2 2.64Å; K34-E72 PolarHBondContact NZ-OE2 3.44Å; T68-E72 PolarHBondContact O-N 3.45Å |
| 73 | G | 94 | Very high | 93.5 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | trans | 83.7 | 177.1 | -170 | 0 | 0 | 0 | 0 | 0 | 113.8 | V35 A69 | V35-G73 CarbonylContact O-C 3.47Å; V35-G73 WeakPolarHBondContact O-CA 3.39Å; A69-G73 WeakPolarHBondContact O-CA 3.49Å; A69-G73 PolarHBondContact O-N 2.8Å | ||
| 74 | I | 96.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 133.8 | -178.3 | -65.4 | -69.3 | 0 | 0 | 0 | 109.3 | F24 K34 V35 V37 V40 I60 V63 A69 Q78 F79 | F24-I74 WeakPolarHBondContact CZ-O 3.28Å; K34-I74 WeakPolarHBondContact CA-O 3.48Å; V35-I74 PolarHBondContact N-O 3.03Å; V35-I74 PolarHBondContact O-N 3.05Å; V37-I74 HydrophobicContact CG2-CG1 4.48Å; V40-I74 HydrophobicContact CG2-CB 4.17Å; V40-I74 HydrophobicContact CG2-CG1 3.97Å; I60-I74 HydrophobicContact CG1-CD1 4.46Å; I60-I74 HydrophobicContact CG2-CD1 4.1Å; V63-I74 HydrophobicContact CG2-CD1 4.39Å; A69-I74 HydrophobicContact CB-CD1 3.41Å; A69-I74 VanDerWaalsContact CB-CD1 3.41Å; A69-I74 HydrophobicContact CB-CG1 4.04Å; I74-Q78 HydrophobicContact CG2-CB 3.6Å; I74-F79 HydrophobicContact CG2-CB 4.3Å |
| 75 | T | 96.4 | Very high | 93 | Very high | 47 Ų | 47 | 65 Ų | 65 | 29% | 0.288 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 163.1 | 175.1 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | K34 D77 Q78 F79 | K34-T75 HydrophobicContact CG-CG2 4.32Å; T75-D77 VanDerWaalsContact C-N 3.29Å; T75-D77 PolarHBondContact O-N 3.42Å; T75-Q78 PolarHBondContact O-N 3.22Å; T75-Q78 WeakPolarHBondContact OG1-CG 3.04Å; T75-Q78 PolarHBondContact OG1-N 3.37Å; T75-Q78 PolarHBondContact OG1-OE1 3.46Å; T75-F79 PolarHBondContact O-N 3.1Å |
| 76 | F | 96.4 | Very high | 92.5 | Very high | 31 Ų | 31 | 59 Ų | 59 | 14% | 0.136 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.8 | -37.4 | 177 | -178.7 | -111.8 | 0 | 0 | 0 | 113.5 | I17 K21 F24 F79 C80 | I17-F76 HydrophobicContact CG2-CE1 4.1Å; I17-F76 HydrophobicContact CG2-CZ 4.02Å; K21-F76 VanDerWaalsContact CA-CE2 3.41Å; K21-F76 HydrophobicContact CB-CE1 4.25Å; K21-F76 HydrophobicContact CB-CE2 3.8Å; K21-F76 HydrophobicContact CB-CZ 3.58Å; K21-F76 HydrophobicContact CD-CD1 4.05Å; K21-F76 HydrophobicContact CD-CD2 3.8Å; K21-F76 HydrophobicContact CD-CE1 4.08Å; K21-F76 HydrophobicContact CD-CE2 3.86Å; K21-F76 HydrophobicContact CD-CG 3.89Å; K21-F76 HydrophobicContact CD-CZ 3.99Å; K21-F76 HydrophobicContact CG-CE2 4.43Å; K21-F76 HydrophobicContact CG-CZ 4.27Å; F24-F76 HydrophobicContact CB-CD2 3.89Å; F24-F76 HydrophobicContact CB-CE2 4.28Å; F24-F76 HydrophobicContact CD1-CB 4.42Å; F24-F76 HydrophobicContact CD1-CD2 4.35Å; F24-F76 HydrophobicContact CD2-CB 4.36Å; F24-F76 AromaticContact CD2-CD2 3.88Å; F24-F76 HydrophobicContact CD2-CD2 3.88Å; F24-F76 HydrophobicContact CE1-CB 4.28Å; F24-F76 HydrophobicContact CE2-CB 4.21Å; F24-F76 HydrophobicContact CG-CB 4.48Å; F24-F76 AromaticContact CG-CD2 3.79Å; F24-F76 HydrophobicContact CG-CD2 3.79Å; F24-F76 HydrophobicContact CZ-CB 4.16Å; F76-F79 HydrophobicContact CD2-CD1 4.2Å; F76-F79 HydrophobicContact CE2-CD1 4.17Å; F76-F79 PolarHBondContact O-N 2.75Å; F76-C80 VanDerWaalsContact CE1-SG 3.59Å; F76-C80 WeakPolarHBondContact CZ-SG 3.43Å; F76-C80 PolarHBondContact O-N 3.08Å; F76-C80 PolarHBondContact O-SG 3.2Å; F76-C80 VanDerWaalsContact O-SG 3.39Å |
| 77 | D | 95.4 | Very high | 91.8 | Very high | 128 Ų | 128 | 57.2 Ų | 57.2 | 68% | 0.684 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.9 | -41.9 | 178.6 | -71.4 | -13.6 | 0 | 0 | 0 | 111.4 | T75 F79 C80 E81 | T75-D77 VanDerWaalsContact C-N 3.29Å; T75-D77 PolarHBondContact O-N 3.42Å; D77-F79 VanDerWaalsContact C-N 3.35Å; D77-C80 PolarHBondContact O-N 3.43Å; D77-E81 PolarHBondContact O-N 3.18Å |
| 78 | Q | 95.7 | Very high | 90.9 | Very high | 35 Ų | 35 | 49.8 Ų | 49.8 | 16% | 0.164 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 174 | -74.4 | 171.2 | -50 | 0 | 0 | 111.4 | V63 I74 T75 E81 I82 | V63-Q78 HydrophobicContact CB-CB 4.28Å; V63-Q78 HydrophobicContact CB-CG 4.29Å; V63-Q78 HydrophobicContact CG2-CB 3.92Å; V63-Q78 HydrophobicContact CG2-CG 4.25Å; V63-Q78 PolarHBondContact O-NE2 3.46Å; V63-Q78 VanDerWaalsContact O-NE2 3.08Å; I74-Q78 HydrophobicContact CG2-CB 3.6Å; T75-Q78 PolarHBondContact O-N 3.22Å; T75-Q78 WeakPolarHBondContact OG1-CG 3.04Å; T75-Q78 PolarHBondContact OG1-N 3.37Å; T75-Q78 PolarHBondContact OG1-OE1 3.46Å; Q78-E81 PolarHBondContact O-N 2.94Å; Q78-I82 WeakPolarHBondContact O-CG1 3.4Å; Q78-I82 PolarHBondContact O-N 3.1Å |
| 79 | F | 95.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 173.7 | 170.4 | -110.6 | 0 | 0 | 0 | 112.1 | Y20 F24 L43 I44 V47 I74 T75 F76 D77 E81 I82 A83 | Y20-F79 HydrophobicContact CD2-CE1 4.01Å; Y20-F79 HydrophobicContact CD2-CZ 4.49Å; Y20-F79 HydrophobicContact CG-CE1 4.05Å; F24-F79 HydrophobicContact CD2-CB 4.18Å; F24-F79 HydrophobicContact CD2-CD1 4.19Å; F24-F79 HydrophobicContact CD2-CG 4.27Å; F24-F79 HydrophobicContact CE2-CB 4.24Å; L43-F79 HydrophobicContact CB-CE2 4.39Å; L43-F79 HydrophobicContact CD1-CZ 4.18Å; L43-F79 HydrophobicContact CD2-CD1 4.05Å; L43-F79 HydrophobicContact CD2-CD2 3.65Å; L43-F79 HydrophobicContact CD2-CE1 4Å; L43-F79 HydrophobicContact CD2-CE2 3.63Å; L43-F79 HydrophobicContact CD2-CG 3.87Å; L43-F79 HydrophobicContact CD2-CZ 3.81Å; L43-F79 HydrophobicContact CG-CD2 4.12Å; L43-F79 HydrophobicContact CG-CE1 4.16Å; L43-F79 HydrophobicContact CG-CE2 3.56Å; L43-F79 HydrophobicContact CG-CZ 3.59Å; I44-F79 HydrophobicContact CG1-CD2 4.37Å; I44-F79 HydrophobicContact CG1-CE2 3.8Å; V47-F79 HydrophobicContact CG1-CZ 4.08Å; V47-F79 HydrophobicContact CG2-CZ 3.91Å; I74-F79 HydrophobicContact CG2-CB 4.3Å; T75-F79 PolarHBondContact O-N 3.1Å; F76-F79 HydrophobicContact CD2-CD1 4.2Å; F76-F79 HydrophobicContact CE2-CD1 4.17Å; F76-F79 PolarHBondContact O-N 2.75Å; D77-F79 VanDerWaalsContact C-N 3.35Å; F79-E81 VanDerWaalsContact C-N 3.26Å; F79-E81 PolarHBondContact O-N 3.2Å; F79-I82 PolarHBondContact O-N 2.89Å; F79-A83 HydrophobicContact CZ-CB 4.46Å; F79-A83 WeakPolarHBondContact O-CB 3.21Å; F79-A83 PolarHBondContact O-N 2.97Å |
| 80 | C | 94.4 | Very high | 88.6 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 14% | 0.135 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.2 | -37.1 | 175.3 | -74 | 0 | 0 | 0 | 0 | 112.2 | L12 F76 D77 S84 | L12-C80 HydrophobicContact CD1-CB 4.25Å; F76-C80 VanDerWaalsContact CE1-SG 3.59Å; F76-C80 WeakPolarHBondContact CZ-SG 3.43Å; F76-C80 PolarHBondContact O-N 3.08Å; F76-C80 PolarHBondContact O-SG 3.2Å; F76-C80 VanDerWaalsContact O-SG 3.39Å; D77-C80 PolarHBondContact O-N 3.43Å; C80-S84 WeakPolarHBondContact O-CB 3.38Å; C80-S84 PolarHBondContact O-N 3.36Å |
| 81 | E | 92.9 | Very high | 87.7 | Confident | 87 Ų | 87 | 56.7 Ų | 56.7 | 41% | 0.407 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.7 | -45.3 | 175.5 | -174.3 | 173.5 | 169.4 | 0 | 0 | 112 | V63 D77 Q78 F79 S84 R85 | V63-E81 HydrophobicContact CG1-CB 4Å; V63-E81 HydrophobicContact CG1-CG 3.79Å; D77-E81 PolarHBondContact O-N 3.18Å; Q78-E81 PolarHBondContact O-N 2.94Å; F79-E81 VanDerWaalsContact C-N 3.26Å; F79-E81 PolarHBondContact O-N 3.2Å; E81-S84 PolarHBondContact O-N 3.41Å; E81-R85 VanDerWaalsContact O-CG 3.31Å; E81-R85 WeakPolarHBondContact O-CG 3.37Å; E81-R85 PolarHBondContact O-N 2.65Å; E81-R85 IonicContact OE1-CZ 3.52Å; E81-R85 IonicContact OE1-NE 2.65Å; E81-R85 PolarHBondContact OE1-NE 2.94Å; E81-R85 IonicContact OE1-NH2 3.83Å; E81-R85 PolarHBondContact OE1-NH2 2.87Å |
| 82 | I | 92.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.4 | -55.1 | 173.7 | -68 | 172.5 | 0 | 0 | 0 | 109.8 | I44 L59 I60 V63 Q78 F79 S84 R85 M86 | I44-I82 HydrophobicContact CD1-CG2 3.83Å; L59-I82 HydrophobicContact CB-CG1 4.21Å; L59-I82 HydrophobicContact CB-CG2 4.04Å; L59-I82 HydrophobicContact CD1-CG2 4.02Å; I60-I82 HydrophobicContact CG1-CD1 3.88Å; V63-I82 HydrophobicContact CB-CG1 4.42Å; V63-I82 HydrophobicContact CG1-CG1 3.86Å; V63-I82 HydrophobicContact CG2-CD1 3.67Å; V63-I82 HydrophobicContact CG2-CG1 3.71Å; Q78-I82 WeakPolarHBondContact O-CG1 3.4Å; Q78-I82 PolarHBondContact O-N 3.1Å; F79-I82 PolarHBondContact O-N 2.89Å; I82-S84 VanDerWaalsContact C-N 3.31Å; I82-S84 PolarHBondContact O-N 3.31Å; I82-R85 PolarHBondContact O-N 3.39Å; I82-R85 VanDerWaalsContact O-N 3.13Å; I82-M86 WeakPolarHBondContact O-CG 3.1Å; I82-M86 PolarHBondContact O-N 3.45Å |
| 83 | A | 90.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.2 | -37.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y20 L49 F79 M86 Y87 | Y20-A83 HydrophobicContact CD2-CB 4.16Å; Y20-A83 HydrophobicContact CE2-CB 3.56Å; L49-A83 HydrophobicContact CD1-CB 3.76Å; F79-A83 HydrophobicContact CZ-CB 4.46Å; F79-A83 WeakPolarHBondContact O-CB 3.21Å; F79-A83 PolarHBondContact O-N 2.97Å; A83-M86 PolarHBondContact O-N 2.72Å; A83-Y87 WeakPolarHBondContact O-CB 3.42Å; A83-Y87 PolarHBondContact O-N 2.98Å |
| 84 | S | 88.9 | Confident | 86.1 | Confident | 27 Ų | 27 | 55.2 Ų | 55.2 | 19% | 0.189 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 175.7 | -178.2 | 0 | 0 | 0 | 0 | 112.5 | C80 E81 I82 N88 | C80-S84 WeakPolarHBondContact O-CB 3.38Å; C80-S84 PolarHBondContact O-N 3.36Å; E81-S84 PolarHBondContact O-N 3.41Å; I82-S84 VanDerWaalsContact C-N 3.31Å; I82-S84 PolarHBondContact O-N 3.31Å; S84-N88 PolarHBondContact O-N 2.8Å; S84-N88 PolarHBondContact O-ND2 3.21Å |
| 85 | R | 87.3 | Confident | 85.6 | Confident | 63 Ų | 63 | 58.2 Ų | 58.2 | 24% | 0.238 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.8 | -47.3 | 175.5 | -71.5 | 168.7 | 178.9 | -139.9 | 13.7 | 110.6 | L59 D62 E81 I82 Y87 N88 E89 | L59-R85 HydrophobicContact CD2-CB 3.86Å; L59-R85 HydrophobicContact CD2-CG 4.46Å; D62-R85 IonicContact OD2-CZ 2.71Å; D62-R85 IonicContact OD2-NH1 3.3Å; D62-R85 PolarHBondContact OD2-NH1 3.5Å; E81-R85 VanDerWaalsContact O-CG 3.31Å; E81-R85 WeakPolarHBondContact O-CG 3.37Å; E81-R85 PolarHBondContact O-N 2.65Å; E81-R85 IonicContact OE1-CZ 3.52Å; E81-R85 IonicContact OE1-NE 2.65Å; E81-R85 PolarHBondContact OE1-NE 2.94Å; E81-R85 IonicContact OE1-NH2 3.83Å; E81-R85 PolarHBondContact OE1-NH2 2.87Å; I82-R85 PolarHBondContact O-N 3.39Å; I82-R85 VanDerWaalsContact O-N 3.13Å; R85-Y87 PolarHBondContact O-N 3.07Å; R85-N88 WeakPolarHBondContact O-CB 3.43Å; R85-N88 PolarHBondContact O-N 2.89Å; R85-N88 VanDerWaalsContact O-N 3.13Å; R85-E89 PolarHBondContact O-N 3.15Å; R85-E89 VanDerWaalsContact O-N 3.13Å |
| 86 | M | 83.4 | Confident | 85.1 | Confident | 20 Ų | 20 | 58 Ų | 58 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 176.1 | -71.8 | -165.7 | 67.5 | 0 | 0 | 113.4 | I44 L49 P51 L59 I82 A83 N88 E89 I90 | I44-M86 HydrophobicContact CG2-CE 4.21Å; I44-M86 HydrophobicContact CG2-SD 3.63Å; L49-M86 HydrophobicContact CB-CE 3.91Å; L49-M86 HydrophobicContact CB-SD 4.27Å; L49-M86 HydrophobicContact CD1-CB 4.01Å; L49-M86 HydrophobicContact CD1-SD 4.14Å; L49-M86 HydrophobicContact CD2-CB 4.29Å; P51-M86 HydrophobicContact CB-CE 3.39Å; P51-M86 HydrophobicContact CB-SD 3.97Å; P51-M86 HydrophobicContact CG-CE 3.81Å; P51-M86 HydrophobicContact CG-SD 4.13Å; L59-M86 HydrophobicContact CD1-CG 3.46Å; L59-M86 VanDerWaalsContact CD1-CG 3.46Å; L59-M86 HydrophobicContact CD1-SD 4.03Å; I82-M86 WeakPolarHBondContact O-CG 3.1Å; I82-M86 PolarHBondContact O-N 3.45Å; A83-M86 PolarHBondContact O-N 2.72Å; M86-N88 PolarHBondContact O-N 3.06Å; M86-E89 CarbonylContact O-C 3.46Å; M86-E89 WeakPolarHBondContact O-CA 3.08Å; M86-E89 PolarHBondContact O-N 3.02Å; M86-I90 PolarHBondContact O-N 3.23Å; M86-I90 VanDerWaalsContact O-N 3.1Å |
| 87 | Y | 76.9 | Confident | 84.7 | Confident | 118 Ų | 118 | 57.1 Ų | 57.1 | 46% | 0.463 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.2 | -31.2 | 178.8 | -165.3 | -91.9 | 0 | 0 | 0 | 112 | A10 A83 R85 I90 | A10-Y87 HydrophobicContact CB-CD1 3.86Å; A10-Y87 HydrophobicContact CB-CE1 3.97Å; A83-Y87 WeakPolarHBondContact O-CB 3.42Å; A83-Y87 PolarHBondContact O-N 2.98Å; R85-Y87 PolarHBondContact O-N 3.07Å; Y87-I90 HydrophobicContact CD2-CD1 3.85Å; Y87-I90 HydrophobicContact CE2-CD1 4.16Å; Y87-I90 HydrophobicContact CG-CD1 4.23Å; Y87-I90 WeakPolarHBondContact O-CG1 3.21Å |
| 88 | N | 71.7 | Confident | 84.4 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 13% | 0.128 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -78.8 | -21.2 | 175 | -71.8 | -52.8 | 0 | 0 | 0 | 113.1 | K7 K9 A10 S84 R85 M86 | K7-N88 VanDerWaalsContact CD-O 3.27Å; K7-N88 WeakPolarHBondContact CD-O 3.49Å; K7-N88 WeakPolarHBondContact CE-O 3.46Å; K7-N88 PolarHBondContact NZ-O 2.93Å; K9-N88 VanDerWaalsContact CA-OD1 3.32Å; K9-N88 WeakPolarHBondContact CA-OD1 3.49Å; A10-N88 WeakPolarHBondContact CB-OD1 3.4Å; A10-N88 PolarHBondContact N-OD1 2.8Å; A10-N88 PolarHBondContact O-ND2 3.23Å; S84-N88 PolarHBondContact O-N 2.8Å; S84-N88 PolarHBondContact O-ND2 3.21Å; R85-N88 WeakPolarHBondContact O-CB 3.43Å; R85-N88 PolarHBondContact O-N 2.89Å; R85-N88 VanDerWaalsContact O-N 3.13Å; M86-N88 PolarHBondContact O-N 3.06Å |
| 89 | E | 69 | Low | 84 | Confident | 107 Ų | 107 | 57 Ų | 57 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -95.8 | -3.1 | -178.3 | -71.4 | -176.7 | 163.5 | 0 | 0 | 113.8 | R85 M86 Y91 | R85-E89 PolarHBondContact O-N 3.15Å; R85-E89 VanDerWaalsContact O-N 3.13Å; M86-E89 CarbonylContact O-C 3.46Å; M86-E89 WeakPolarHBondContact O-CA 3.08Å; M86-E89 PolarHBondContact O-N 3.02Å; E89-Y91 PolarHBondContact O-N 2.96Å |
| 90 | I | 67.4 | Low | 83.7 | Confident | 92 Ų | 92 | 57.9 Ų | 57.9 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -47.6 | 120 | 172.4 | -59.2 | 175 | 0 | 0 | 0 | 109.5 | K7 M86 Y87 | K7-I90 PolarHBondContact NZ-O 3.3Å; M86-I90 PolarHBondContact O-N 3.23Å; M86-I90 VanDerWaalsContact O-N 3.1Å; Y87-I90 HydrophobicContact CD2-CD1 3.85Å; Y87-I90 HydrophobicContact CE2-CD1 4.16Å; Y87-I90 HydrophobicContact CG-CD1 4.23Å; Y87-I90 WeakPolarHBondContact O-CG1 3.21Å |
| 91 | Y | 73.3 | Confident | 83.5 | Confident | 144 Ų | 144 | 62.3 Ų | 62.3 | 57% | 0.565 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 131.2 | 172.6 | -62.5 | -73.1 | 0 | 0 | 0 | 108.5 | E89 D95 | E89-Y91 PolarHBondContact O-N 2.96Å; Y91-D95 HydrophobicContact CD1-CB 4.17Å |
| 92 | T | 78.5 | Confident | 83.3 | Confident | 76 Ų | 76 | 63.1 Ų | 63.1 | 47% | 0.466 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 158.8 | 172 | 64.4 | 0 | 0 | 0 | 0 | 110 | S94 D95 I96 | T92-S94 PolarHBondContact O-N 3.21Å; T92-S94 VanDerWaalsContact O-N 3.09Å; T92-D95 WeakPolarHBondContact CB-OD2 3.43Å; T92-D95 PolarHBondContact N-OD2 2.84Å; T92-D95 WeakPolarHBondContact O-CB 3.47Å; T92-D95 PolarHBondContact O-N 3.36Å; T92-D95 PolarHBondContact OG1-N 2.98Å; T92-D95 PolarHBondContact OG1-OD2 3.09Å; T92-I96 PolarHBondContact O-N 3.37Å; T92-I96 VanDerWaalsContact O-N 3.13Å |
| 93 | E | 81.8 | Confident | 83 | Confident | 72 Ų | 72 | 65.5 Ų | 65.5 | 34% | 0.336 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -46.2 | -41.3 | 169.5 | 178.4 | -173.7 | 147.7 | 0 | 0 | 110.8 | I96 I97 V153 R154 | E93-I96 PolarHBondContact O-N 2.88Å; E93-I97 HydrophobicContact CG-CD1 3.75Å; E93-I97 HydrophobicContact CG-CG1 4.43Å; E93-I97 WeakPolarHBondContact O-CB 3.27Å; E93-I97 VanDerWaalsContact O-CG1 3.29Å; E93-I97 WeakPolarHBondContact O-CG1 3.38Å; E93-I97 PolarHBondContact O-N 2.64Å; E93-V153 HydrophobicContact CG-CG1 3.94Å; E93-R154 HydrophobicContact CG-CG 4.44Å; E93-R154 WeakPolarHBondContact OE1-CG 3.19Å; E93-R154 IonicContact OE1-CZ 2.77Å; E93-R154 IonicContact OE1-NE 3.68Å; E93-R154 PolarHBondContact OE1-NE 2.92Å; E93-R154 IonicContact OE1-NH2 3.64Å |
| 94 | S | 83.9 | Confident | 83 | Confident | 66 Ų | 66 | 66 Ų | 66 | 46% | 0.462 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 177.8 | -166.8 | 0 | 0 | 0 | 0 | 113 | T92 I96 I97 E98 | T92-S94 PolarHBondContact O-N 3.21Å; T92-S94 VanDerWaalsContact O-N 3.09Å; S94-I96 VanDerWaalsContact C-N 3.29Å; S94-I96 PolarHBondContact O-N 3.48Å; S94-I97 PolarHBondContact O-N 2.9Å; S94-E98 WeakPolarHBondContact O-CB 3.47Å; S94-E98 WeakPolarHBondContact O-CG 3.35Å; S94-E98 PolarHBondContact O-N 3.13Å |
| 95 | D | 85.5 | Confident | 82.8 | Confident | 65 Ų | 65 | 71.7 Ų | 71.7 | 35% | 0.348 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 179.1 | -61 | -48.8 | 0 | 0 | 0 | 110.7 | Y91 T92 A99 | Y91-D95 HydrophobicContact CD1-CB 4.17Å; T92-D95 WeakPolarHBondContact CB-OD2 3.43Å; T92-D95 PolarHBondContact N-OD2 2.84Å; T92-D95 WeakPolarHBondContact O-CB 3.47Å; T92-D95 PolarHBondContact O-N 3.36Å; T92-D95 PolarHBondContact OG1-N 2.98Å; T92-D95 PolarHBondContact OG1-OD2 3.09Å; D95-A99 PolarHBondContact O-N 2.89Å; D95-A99 VanDerWaalsContact O-N 3.1Å |
| 96 | I | 85.5 | Confident | 82.8 | Confident | 43 Ų | 43 | 76.3 Ų | 76.3 | 22% | 0.221 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.7 | -43.6 | 179.4 | -56 | 171.6 | 0 | 0 | 0 | 110.6 | T92 E93 S94 E98 A99 F100 V153 T157 | T92-I96 PolarHBondContact O-N 3.37Å; T92-I96 VanDerWaalsContact O-N 3.13Å; E93-I96 PolarHBondContact O-N 2.88Å; S94-I96 VanDerWaalsContact C-N 3.29Å; S94-I96 PolarHBondContact O-N 3.48Å; I96-E98 VanDerWaalsContact C-N 3.33Å; I96-E98 PolarHBondContact O-N 3.48Å; I96-A99 WeakPolarHBondContact O-CB 3.48Å; I96-A99 PolarHBondContact O-N 3.2Å; I96-F100 HydrophobicContact CG2-CD2 3.96Å; I96-F100 HydrophobicContact CG2-CE2 3.78Å; I96-F100 WeakPolarHBondContact O-CD2 3.36Å; I96-F100 PolarHBondContact O-N 3.05Å; I96-V153 HydrophobicContact CB-CG1 3.88Å; I96-V153 HydrophobicContact CB-CG2 4.37Å; I96-V153 HydrophobicContact CD1-CG1 4.43Å; I96-V153 HydrophobicContact CG2-CB 4.43Å; I96-V153 HydrophobicContact CG2-CG1 3.83Å; I96-V153 HydrophobicContact CG2-CG2 3.6Å; I96-T157 HydrophobicContact CD1-CG2 4.13Å |
| 97 | I | 89.2 | Confident | 83.1 | Confident | 12 Ų | 12 | 81.1 Ų | 81.1 | 6% | 0.062 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 175.5 | -72.9 | 172.5 | 0 | 0 | 0 | 111 | E93 S94 A99 F100 R101 Y149 E150 V153 | E93-I97 HydrophobicContact CG-CD1 3.75Å; E93-I97 HydrophobicContact CG-CG1 4.43Å; E93-I97 WeakPolarHBondContact O-CB 3.27Å; E93-I97 VanDerWaalsContact O-CG1 3.29Å; E93-I97 WeakPolarHBondContact O-CG1 3.38Å; E93-I97 PolarHBondContact O-N 2.64Å; S94-I97 PolarHBondContact O-N 2.9Å; I97-A99 VanDerWaalsContact C-N 3.3Å; I97-A99 PolarHBondContact O-N 3.1Å; I97-F100 PolarHBondContact O-N 3.13Å; I97-R101 WeakPolarHBondContact O-CG 3.42Å; I97-R101 PolarHBondContact O-N 3.3Å; I97-Y149 HydrophobicContact CG2-CE2 4.26Å; I97-E150 HydrophobicContact CD1-CB 4.27Å; I97-E150 HydrophobicContact CD1-CG 4.18Å; I97-E150 HydrophobicContact CG1-CG 4.34Å; I97-E150 HydrophobicContact CG2-CG 3.98Å; I97-V153 HydrophobicContact CG1-CB 3.99Å; I97-V153 HydrophobicContact CG1-CG1 4.03Å; I97-V153 HydrophobicContact CG1-CG2 4.13Å |
| 98 | E | 88.9 | Confident | 83.8 | Confident | 110 Ų | 110 | 78.2 Ų | 78.2 | 51% | 0.514 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 176.2 | -77.9 | -172.1 | -179.4 | 0 | 0 | 112 | S94 I96 R101 T102 | S94-E98 WeakPolarHBondContact O-CB 3.47Å; S94-E98 WeakPolarHBondContact O-CG 3.35Å; S94-E98 PolarHBondContact O-N 3.13Å; I96-E98 VanDerWaalsContact C-N 3.33Å; I96-E98 PolarHBondContact O-N 3.48Å; E98-R101 PolarHBondContact O-N 3.44Å; E98-T102 PolarHBondContact O-N 2.7Å |
| 99 | A | 87.2 | Confident | 84.7 | Confident | 51 Ų | 51 | 78.2 Ų | 78.2 | 42% | 0.421 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D95 I96 I97 R101 T102 F103 | D95-A99 PolarHBondContact O-N 2.89Å; D95-A99 VanDerWaalsContact O-N 3.1Å; I96-A99 WeakPolarHBondContact O-CB 3.48Å; I96-A99 PolarHBondContact O-N 3.2Å; I97-A99 VanDerWaalsContact C-N 3.3Å; I97-A99 PolarHBondContact O-N 3.1Å; A99-R101 VanDerWaalsContact C-N 3.35Å; A99-R101 PolarHBondContact O-N 3.45Å; A99-T102 WeakPolarHBondContact O-CB 3.13Å; A99-T102 PolarHBondContact O-N 2.74Å; A99-T102 VanDerWaalsContact O-N 3.16Å; A99-T102 PolarHBondContact O-OG1 3.42Å; A99-F103 WeakPolarHBondContact O-CD2 3.26Å |
| 100 | F | 88.9 | Confident | 85.9 | Confident | 18 Ų | 18 | 76 Ų | 76 | 8% | 0.079 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.6 | -37.1 | 177.1 | -82.5 | -66.3 | 0 | 0 | 0 | 113.4 | I96 I97 T102 F103 D104 L111 L116 L120 Y149 F152 V153 | I96-F100 HydrophobicContact CG2-CD2 3.96Å; I96-F100 HydrophobicContact CG2-CE2 3.78Å; I96-F100 WeakPolarHBondContact O-CD2 3.36Å; I96-F100 PolarHBondContact O-N 3.05Å; I97-F100 PolarHBondContact O-N 3.13Å; F100-T102 PolarHBondContact O-N 2.71Å; F100-T102 VanDerWaalsContact O-N 3.12Å; F100-F103 WeakPolarHBondContact O-CB 3.25Å; F100-F103 PolarHBondContact O-N 3.26Å; F100-D104 PolarHBondContact O-N 3.13Å; F100-L111 HydrophobicContact CD1-CD1 3.74Å; F100-L111 HydrophobicContact CE1-CD1 4.45Å; F100-L116 HydrophobicContact CD1-CD1 4.22Å; F100-L116 HydrophobicContact CE1-CD1 3.33Å; F100-L116 HydrophobicContact CZ-CD1 3.95Å; F100-L120 HydrophobicContact CZ-CD2 4.25Å; F100-Y149 HydrophobicContact CB-CD2 3.53Å; F100-Y149 HydrophobicContact CB-CE2 4.15Å; F100-Y149 HydrophobicContact CB-CG 3.79Å; F100-Y149 HydrophobicContact CG-CD2 4.32Å; F100-Y149 HydrophobicContact CG-CG 4.32Å; F100-F152 HydrophobicContact CZ-CD1 4.42Å; F100-F152 HydrophobicContact CZ-CE1 4.23Å; F100-V153 HydrophobicContact CD2-CG2 3.57Å; F100-V153 HydrophobicContact CE2-CG2 3.67Å |
| 101 | R | 89.8 | Confident | 87 | Confident | 114 Ų | 114 | 71.7 Ų | 71.7 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58 | -24.9 | 174.9 | -78.7 | 177.4 | -176.6 | 163.8 | 3.6 | 113.4 | I97 E98 A99 F103 D104 Y149 E150 | I97-R101 WeakPolarHBondContact O-CG 3.42Å; I97-R101 PolarHBondContact O-N 3.3Å; E98-R101 PolarHBondContact O-N 3.44Å; A99-R101 VanDerWaalsContact C-N 3.35Å; A99-R101 PolarHBondContact O-N 3.45Å; R101-F103 PolarHBondContact O-N 2.75Å; R101-D104 PolarHBondContact O-N 3.43Å; R101-Y149 HydrophobicContact CG-CE2 3.96Å; R101-Y149 WeakPolarHBondContact CG-OH 3.4Å; R101-E150 IonicContact CZ-OE1 3.92Å; R101-E150 IonicContact NE-OE1 2.76Å; R101-E150 IonicContact NH2-OE1 3.1Å; R101-E150 PolarHBondContact NH2-OE1 3.22Å |
| 102 | T | 88.4 | Confident | 87.9 | Confident | 103 Ų | 103 | 66 Ų | 66 | 63% | 0.632 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -19.6 | 175.6 | 70.9 | 0 | 0 | 0 | 0 | 113.5 | E98 A99 F100 | E98-T102 PolarHBondContact O-N 2.7Å; A99-T102 WeakPolarHBondContact O-CB 3.13Å; A99-T102 PolarHBondContact O-N 2.74Å; A99-T102 VanDerWaalsContact O-N 3.16Å; A99-T102 PolarHBondContact O-OG1 3.42Å; F100-T102 PolarHBondContact O-N 2.71Å; F100-T102 VanDerWaalsContact O-N 3.12Å |
| 103 | F | 87.3 | Confident | 88.3 | Confident | 50 Ų | 50 | 63.5 Ų | 63.5 | 22% | 0.219 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -23.3 | 175.4 | -65.1 | -85.8 | 0 | 0 | 0 | 112.7 | A99 F100 R101 I105 L111 A119 | A99-F103 WeakPolarHBondContact O-CD2 3.26Å; F100-F103 WeakPolarHBondContact O-CB 3.25Å; F100-F103 PolarHBondContact O-N 3.26Å; R101-F103 PolarHBondContact O-N 2.75Å; F103-I105 VanDerWaalsContact C-N 3.32Å; F103-I105 PolarHBondContact O-N 3.11Å; F103-L111 HydrophobicContact CB-CD1 4.02Å; F103-L111 HydrophobicContact CB-CD2 3.91Å; F103-A119 HydrophobicContact CB-CB 4.45Å; F103-A119 HydrophobicContact CD1-CB 3.6Å; F103-A119 HydrophobicContact CD2-CB 3.77Å; F103-A119 HydrophobicContact CE1-CB 3.63Å; F103-A119 HydrophobicContact CE2-CB 3.79Å; F103-A119 HydrophobicContact CG-CB 3.67Å; F103-A119 HydrophobicContact CZ-CB 3.72Å |
| 104 | D | 89.6 | Confident | 88.6 | Confident | 10 Ų | 10 | 63.9 Ų | 63.9 | 5% | 0.053 | 35% | 0.35 | C | S | . | . | trans | -81 | 79.4 | 174.7 | -179.9 | 8.4 | 0 | 0 | 0 | 110 | F100 R101 E106 N107 N108 G109 L111 Y149 | F100-D104 PolarHBondContact O-N 3.13Å; R101-D104 PolarHBondContact O-N 3.43Å; D104-E106 PolarHBondContact O-N 2.81Å; D104-E106 PolarHBondContact OD1-N 3.5Å; D104-N107 VanDerWaalsContact CG-CA 3.48Å; D104-N107 PolarHBondContact O-N 3.1Å; D104-N107 VanDerWaalsContact O-N 3.16Å; D104-N107 WeakPolarHBondContact OD1-CA 3.31Å; D104-N107 PolarHBondContact OD1-N 3.38Å; D104-N107 VanDerWaalsContact OD2-C 3.32Å; D104-N107 VanDerWaalsContact OD2-CA 3.24Å; D104-N107 WeakPolarHBondContact OD2-CA 3.49Å; D104-N108 PolarHBondContact OD1-N 3.04Å; D104-N108 PolarHBondContact OD1-OD1 3.05Å; D104-N108 PolarHBondContact OD2-N 3.18Å; D104-G109 PolarHBondContact OD2-N 3.11Å; D104-L111 HydrophobicContact CB-CD2 3.9Å; D104-Y149 HydrophobicContact CB-CE1 3.91Å; D104-Y149 PolarHBondContact OD2-OH 3.18Å | ||
| 105 | I | 85.5 | Confident | 88.8 | Confident | 148 Ų | 148 | 63.5 Ų | 63.5 | 76% | 0.759 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -32.7 | -178 | -60.2 | 172.4 | 0 | 0 | 0 | 111.2 | F103 N107 | F103-I105 VanDerWaalsContact C-N 3.32Å; F103-I105 PolarHBondContact O-N 3.11Å; I105-N107 VanDerWaalsContact C-N 3.31Å |
| 106 | E | 87.7 | Confident | 88.8 | Confident | 159 Ų | 159 | 60.4 Ų | 60.4 | 74% | 0.743 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -13.3 | -179.1 | -61 | -169.9 | 153 | 0 | 0 | 112.6 | D104 N108 | D104-E106 PolarHBondContact O-N 2.81Å; D104-E106 PolarHBondContact OD1-N 3.5Å; E106-N108 VanDerWaalsContact C-N 3.25Å; E106-N108 HydrophobicContact CB-CB 4.41Å; E106-N108 PolarHBondContact O-N 2.86Å; E106-N108 PolarHBondContact OE2-ND2 3.26Å; E106-N108 VanDerWaalsContact OE2-ND2 3.1Å |
| 107 | N | 88.5 | Confident | 88.8 | Confident | 122 Ų | 122 | 61 Ų | 61 | 65% | 0.652 | 32% | 0.324 | S | S | * | . | trans | 53.9 | 43 | -177.6 | -165.8 | 37.8 | 0 | 0 | 0 | 112 | D104 I105 | D104-N107 VanDerWaalsContact CG-CA 3.48Å; D104-N107 PolarHBondContact O-N 3.1Å; D104-N107 VanDerWaalsContact O-N 3.16Å; D104-N107 WeakPolarHBondContact OD1-CA 3.31Å; D104-N107 PolarHBondContact OD1-N 3.38Å; D104-N107 VanDerWaalsContact OD2-C 3.32Å; D104-N107 VanDerWaalsContact OD2-CA 3.24Å; D104-N107 WeakPolarHBondContact OD2-CA 3.49Å; I105-N107 VanDerWaalsContact C-N 3.31Å | ||
| 108 | N | 91.5 | Very high | 88.6 | Confident | 57 Ų | 57 | 66.4 Ų | 66.4 | 31% | 0.305 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -95.5 | -6.4 | -177.2 | 64 | 25 | 0 | 0 | 0 | 112.5 | D104 E106 F110 | D104-N108 PolarHBondContact OD1-N 3.04Å; D104-N108 PolarHBondContact OD1-OD1 3.05Å; D104-N108 PolarHBondContact OD2-N 3.18Å; E106-N108 VanDerWaalsContact C-N 3.25Å; E106-N108 HydrophobicContact CB-CB 4.41Å; E106-N108 PolarHBondContact O-N 2.86Å; E106-N108 PolarHBondContact OE2-ND2 3.26Å; E106-N108 VanDerWaalsContact OE2-ND2 3.1Å; N108-F110 HydrophobicContact CB-CD1 4.04Å; N108-F110 HydrophobicContact CB-CE1 3.55Å; N108-F110 HydrophobicContact CB-CZ 3.91Å; N108-F110 WeakPolarHBondContact ND2-CE2 3.32Å; N108-F110 WeakPolarHBondContact ND2-CZ 3.24Å; N108-F110 WeakPolarHBondContact O-CD1 3.32Å; N108-F110 WeakPolarHBondContact OD1-CD1 3.46Å; N108-F110 WeakPolarHBondContact OD1-CD2 3.38Å; N108-F110 WeakPolarHBondContact OD1-CE1 3Å; N108-F110 VanDerWaalsContact OD1-CG 3.24Å; N108-F110 WeakPolarHBondContact OD1-CG 3.49Å; N108-F110 PolarHBondContact OD1-N 3.14Å; N108-F110 PolarHBondContact OD1-O 3.08Å |
| 109 | G | 91.8 | Very high | 88.3 | Confident | 24 Ų | 24 | 61.5 Ų | 61.5 | 25% | 0.247 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 86.5 | 10.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D104 | D104-G109 PolarHBondContact OD2-N 3.11Š|
| 110 | F | 93.3 | Very high | 88 | Confident | 60 Ų | 60 | 61 Ų | 61 | 26% | 0.263 | 31% | 0.312 | S | S | . | . | trans | -140.8 | 157.8 | 177.2 | 58.4 | -96.4 | 0 | 0 | 0 | 112.4 | N108 N146 V147 | N108-F110 HydrophobicContact CB-CD1 4.04Å; N108-F110 HydrophobicContact CB-CE1 3.55Å; N108-F110 HydrophobicContact CB-CZ 3.91Å; N108-F110 WeakPolarHBondContact ND2-CE2 3.32Å; N108-F110 WeakPolarHBondContact ND2-CZ 3.24Å; N108-F110 WeakPolarHBondContact O-CD1 3.32Å; N108-F110 WeakPolarHBondContact OD1-CD1 3.46Å; N108-F110 WeakPolarHBondContact OD1-CD2 3.38Å; N108-F110 WeakPolarHBondContact OD1-CE1 3Å; N108-F110 VanDerWaalsContact OD1-CG 3.24Å; N108-F110 WeakPolarHBondContact OD1-CG 3.49Å; N108-F110 PolarHBondContact OD1-N 3.14Å; N108-F110 PolarHBondContact OD1-O 3.08Å; F110-N146 HydrophobicContact CB-CB 4.1Å; F110-N146 HydrophobicContact CD2-CB 3.66Å; F110-N146 HydrophobicContact CE2-CB 4.37Å; F110-N146 HydrophobicContact CG-CB 4.09Å; F110-V147 CarbonylContact C-O 3.58Å; F110-V147 VanDerWaalsContact CA-O 3.23Å; F110-V147 WeakPolarHBondContact CA-O 3.38Å; F110-V147 WeakPolarHBondContact CB-O 3.45Å | ||
| 111 | L | 92.1 | Very high | 87.6 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 139.6 | 169.9 | -65.4 | 176.7 | 0 | 0 | 0 | 108.2 | F100 F103 D104 E115 L116 N146 V147 Y149 | F100-L111 HydrophobicContact CD1-CD1 3.74Å; F100-L111 HydrophobicContact CE1-CD1 4.45Å; F103-L111 HydrophobicContact CB-CD1 4.02Å; F103-L111 HydrophobicContact CB-CD2 3.91Å; D104-L111 HydrophobicContact CB-CD2 3.9Å; L111-E115 HydrophobicContact CB-CB 4.25Å; L111-E115 HydrophobicContact CD2-CB 4.43Å; L111-L116 HydrophobicContact CB-CB 4.41Å; L111-N146 CarbonylContact O-C 3.57Å; L111-N146 WeakPolarHBondContact O-CA 3.31Å; L111-V147 PolarHBondContact N-O 2.87Å; L111-V147 PolarHBondContact O-N 3.13Å; L111-Y149 HydrophobicContact CD1-CD1 4.43Å; L111-Y149 HydrophobicContact CG-CD1 3.96Å |
| 112 | S | 91 | Very high | 86.7 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 17% | 0.168 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 152.3 | 167.4 | 66.9 | 0 | 0 | 0 | 0 | 109.9 | S114 E115 L116 | S112-S114 PolarHBondContact O-N 3.25Å; S112-S114 PolarHBondContact OG-OG 3.41Å; S112-E115 WeakPolarHBondContact CB-OE2 3.47Å; S112-E115 PolarHBondContact N-OE2 3.47Å; S112-E115 WeakPolarHBondContact O-CA 3.47Å; S112-E115 PolarHBondContact O-N 3.22Å; S112-E115 WeakPolarHBondContact OG-CB 3.12Å; S112-E115 VanDerWaalsContact OG-CD 3.28Å; S112-E115 WeakPolarHBondContact OG-CG 3.05Å; S112-E115 PolarHBondContact OG-N 2.89Å; S112-E115 PolarHBondContact OG-OE2 3.33Å; S112-L116 PolarHBondContact O-N 3.2Å |
| 113 | A | 88.1 | Confident | 85.4 | Confident | 24 Ų | 24 | 61.7 Ų | 61.7 | 20% | 0.198 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -54 | -31.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R117 L136 G145 | A113-R117 VanDerWaalsContact O-CB 3.28Å; A113-R117 WeakPolarHBondContact O-CB 3.36Å; A113-R117 PolarHBondContact O-N 2.87Å; A113-L136 HydrophobicContact CB-CD1 4.26Å; A113-L136 HydrophobicContact CB-CD2 4.01Å; A113-G145 PolarHBondContact N-O 2.98Å |
| 114 | S | 86.9 | Confident | 84.2 | Confident | 81 Ų | 81 | 62.1 Ų | 62.1 | 57% | 0.566 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -69.6 | -37.7 | 175.2 | 76.6 | 0 | 0 | 0 | 0 | 113.3 | S112 R118 | S112-S114 PolarHBondContact O-N 3.25Å; S112-S114 PolarHBondContact OG-OG 3.41Å; S114-R118 WeakPolarHBondContact O-CB 3.21Å; S114-R118 PolarHBondContact O-N 3.02Å |
| 115 | E | 87.6 | Confident | 83.2 | Confident | 58 Ų | 58 | 65.5 Ų | 65.5 | 27% | 0.271 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -75.3 | -39.2 | 177.4 | -71.6 | 167.4 | 134.2 | 0 | 0 | 111.4 | L111 S112 R118 A119 | L111-E115 HydrophobicContact CB-CB 4.25Å; L111-E115 HydrophobicContact CD2-CB 4.43Å; S112-E115 WeakPolarHBondContact CB-OE2 3.47Å; S112-E115 PolarHBondContact N-OE2 3.47Å; S112-E115 WeakPolarHBondContact O-CA 3.47Å; S112-E115 PolarHBondContact O-N 3.22Å; S112-E115 WeakPolarHBondContact OG-CB 3.12Å; S112-E115 VanDerWaalsContact OG-CD 3.28Å; S112-E115 WeakPolarHBondContact OG-CG 3.05Å; S112-E115 PolarHBondContact OG-N 2.89Å; S112-E115 PolarHBondContact OG-OE2 3.33Å; E115-R118 PolarHBondContact O-N 3.29Å; E115-A119 WeakPolarHBondContact O-CB 3.41Å; E115-A119 PolarHBondContact O-N 3.28Å |
| 116 | L | 87.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.2 | -47 | 171.9 | 178.3 | 56 | 0 | 0 | 0 | 110.7 | F100 L111 S112 R118 A119 L120 L135 L136 V147 | F100-L116 HydrophobicContact CD1-CD1 4.22Å; F100-L116 HydrophobicContact CE1-CD1 3.33Å; F100-L116 HydrophobicContact CZ-CD1 3.95Å; L111-L116 HydrophobicContact CB-CB 4.41Å; S112-L116 PolarHBondContact O-N 3.2Å; L116-R118 VanDerWaalsContact C-N 3.33Å; L116-R118 PolarHBondContact O-N 3.13Å; L116-A119 WeakPolarHBondContact O-CB 3.18Å; L116-A119 PolarHBondContact O-N 2.77Å; L116-L120 HydrophobicContact CD1-CD1 3.77Å; L116-L120 HydrophobicContact CD1-CG 4.01Å; L116-L120 HydrophobicContact CG-CD1 3.98Å; L116-L120 WeakPolarHBondContact O-CB 3.38Å; L116-L120 WeakPolarHBondContact O-CG 3.31Å; L116-L120 PolarHBondContact O-N 2.87Å; L116-L135 HydrophobicContact CD2-CD2 4.46Å; L116-L136 HydrophobicContact CD2-CD2 3.65Å; L116-L136 HydrophobicContact CG-CD2 4.26Å; L116-V147 HydrophobicContact CD2-CB 3.96Å; L116-V147 HydrophobicContact CD2-CG1 3.86Å; L116-V147 HydrophobicContact CD2-CG2 3.81Å |
| 117 | R | 85.3 | Confident | 82.3 | Confident | 56 Ų | 56 | 59.1 Ų | 59.1 | 21% | 0.211 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.9 | -47.7 | 173.5 | 179.1 | 179.8 | -62.1 | -102.7 | 2.9 | 111.4 | A113 A119 L120 C121 E129 M132 D133 | A113-R117 VanDerWaalsContact O-CB 3.28Å; A113-R117 WeakPolarHBondContact O-CB 3.36Å; A113-R117 PolarHBondContact O-N 2.87Å; R117-A119 VanDerWaalsContact C-N 3.34Å; R117-A119 PolarHBondContact O-N 2.81Å; R117-L120 PolarHBondContact O-N 2.97Å; R117-C121 WeakPolarHBondContact O-CB 3.49Å; R117-C121 PolarHBondContact O-N 3.16Å; R117-C121 PolarHBondContact O-SG 2.87Å; R117-E129 IonicContact CZ-OE2 3.9Å; R117-E129 IonicContact NH1-OE1 3.86Å; R117-E129 PolarHBondContact NH1-OE1 3.3Å; R117-E129 VanDerWaalsContact NH1-OE1 3.1Å; R117-E129 IonicContact NH1-OE2 2.94Å; R117-E129 PolarHBondContact NH1-OE2 3.34Å; R117-E129 IonicContact NH2-OE2 3.97Å; R117-M132 HydrophobicContact CB-CE 4.26Å; R117-M132 HydrophobicContact CB-CG 4.27Å; R117-M132 HydrophobicContact CB-SD 4.03Å; R117-M132 HydrophobicContact CG-CE 4.07Å; R117-M132 HydrophobicContact CG-CG 3.98Å; R117-M132 HydrophobicContact CG-SD 4.22Å; R117-D133 IonicContact CZ-OD1 2.72Å; R117-D133 IonicContact NH2-OD1 3.42Å; R117-D133 PolarHBondContact NH2-OD1 2.94Å |
| 118 | R | 84 | Confident | 82 | Confident | 125 Ų | 125 | 57 Ų | 57 | 47% | 0.472 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 177.3 | -174.1 | 176.1 | 67.7 | -135.5 | 1.1 | 111.1 | S114 E115 L116 L120 C121 T122 | S114-R118 WeakPolarHBondContact O-CB 3.21Å; S114-R118 PolarHBondContact O-N 3.02Å; E115-R118 PolarHBondContact O-N 3.29Å; L116-R118 VanDerWaalsContact C-N 3.33Å; L116-R118 PolarHBondContact O-N 3.13Å; R118-L120 PolarHBondContact O-N 3.18Å; R118-C121 PolarHBondContact O-N 3.38Å; R118-T122 VanDerWaalsContact O-CB 3.3Å; R118-T122 WeakPolarHBondContact O-CB 3.47Å; R118-T122 PolarHBondContact O-N 2.91Å; R118-T122 PolarHBondContact O-OG1 3.45Å |
| 119 | A | 82.6 | Confident | 81.6 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F103 E115 L116 R117 T122 | F103-A119 HydrophobicContact CB-CB 4.45Å; F103-A119 HydrophobicContact CD1-CB 3.6Å; F103-A119 HydrophobicContact CD2-CB 3.77Å; F103-A119 HydrophobicContact CE1-CB 3.63Å; F103-A119 HydrophobicContact CE2-CB 3.79Å; F103-A119 HydrophobicContact CG-CB 3.67Å; F103-A119 HydrophobicContact CZ-CB 3.72Å; E115-A119 WeakPolarHBondContact O-CB 3.41Å; E115-A119 PolarHBondContact O-N 3.28Å; L116-A119 WeakPolarHBondContact O-CB 3.18Å; L116-A119 PolarHBondContact O-N 2.77Å; R117-A119 VanDerWaalsContact C-N 3.34Å; R117-A119 PolarHBondContact O-N 2.81Å; A119-T122 PolarHBondContact O-N 3.17Å |
| 120 | L | 81.7 | Confident | 81.3 | Confident | 41 Ų | 41 | 64.4 Ų | 64.4 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -72.4 | -26.4 | -178.8 | -67.8 | 173.9 | 0 | 0 | 0 | 113.8 | F100 L116 R117 R118 L127 M132 L135 | F100-L120 HydrophobicContact CZ-CD2 4.25Å; L116-L120 HydrophobicContact CD1-CD1 3.77Å; L116-L120 HydrophobicContact CD1-CG 4.01Å; L116-L120 HydrophobicContact CG-CD1 3.98Å; L116-L120 WeakPolarHBondContact O-CB 3.38Å; L116-L120 WeakPolarHBondContact O-CG 3.31Å; L116-L120 PolarHBondContact O-N 2.87Å; R117-L120 PolarHBondContact O-N 2.97Å; R118-L120 PolarHBondContact O-N 3.18Å; L120-L127 HydrophobicContact CB-CD1 4.31Å; L120-L127 HydrophobicContact CD1-CD1 4.25Å; L120-M132 HydrophobicContact CB-CE 3.68Å; L120-M132 HydrophobicContact CD1-CE 3.82Å; L120-M132 HydrophobicContact CD1-SD 4.04Å; L120-M132 HydrophobicContact CG-CE 4.4Å; L120-L135 HydrophobicContact CD1-CD1 4.13Å; L120-L135 HydrophobicContact CD1-CD2 3.66Å |
| 121 | C | 79.5 | Confident | 81 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 31% | 0.311 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -92.2 | -7 | 175 | -62.3 | 0 | 0 | 0 | 0 | 113.8 | R117 R118 N126 | R117-C121 WeakPolarHBondContact O-CB 3.49Å; R117-C121 PolarHBondContact O-N 3.16Å; R117-C121 PolarHBondContact O-SG 2.87Å; R118-C121 PolarHBondContact O-N 3.38Å; C121-N126 PolarHBondContact O-OD1 3.34Å; C121-N126 VanDerWaalsContact O-OD1 3.09Å |
| 122 | T | 70.4 | Confident | 80.7 | Confident | 94 Ų | 94 | 66.3 Ų | 66.3 | 58% | 0.577 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -83.1 | -23.4 | 179.9 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | R118 A119 | R118-T122 VanDerWaalsContact O-CB 3.3Å; R118-T122 WeakPolarHBondContact O-CB 3.47Å; R118-T122 PolarHBondContact O-N 2.91Å; R118-T122 PolarHBondContact O-OG1 3.45Å; A119-T122 PolarHBondContact O-N 3.17Å |
| 123 | V | 62 | Low | 80.5 | Confident | 108 Ų | 108 | 69.3 Ų | 69.3 | 66% | 0.655 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -130.9 | 121.5 | -171 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 124 | G | 62.5 | Low | 80.4 | Confident | 60 Ų | 60 | 70.4 Ų | 70.4 | 62% | 0.619 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 86 | -137.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 125 | E | 69 | Low | 80.3 | Confident | 80 Ų | 80 | 68.4 Ų | 68.4 | 37% | 0.374 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -80.3 | 122.1 | -179.6 | -63.6 | -170.7 | 135.1 | 0 | 0 | 110.6 | S52 N53 L54 L127 | S52-E125 WeakPolarHBondContact CB-OE2 3.41Å; N53-E125 WeakPolarHBondContact CA-OE1 3.18Å; N53-E125 WeakPolarHBondContact CB-OE1 3.18Å; N53-E125 VanDerWaalsContact CG-OE1 3.3Å; N53-E125 VanDerWaalsContact N-CD 3.32Å; N53-E125 PolarHBondContact N-OE1 3.4Å; N53-E125 PolarHBondContact N-OE2 3.5Å; N53-E125 VanDerWaalsContact N-OE2 3.1Å; N53-E125 PolarHBondContact ND2-OE1 3.48Å; N53-E125 PolarHBondContact ND2-OE2 3.17Å; L54-E125 PolarHBondContact N-OE1 2.91Å; E125-L127 PolarHBondContact O-N 3.28Å; E125-L127 VanDerWaalsContact O-N 3.14Å |
| 126 | N | 73.4 | Confident | 80.2 | Confident | 118 Ų | 118 | 66.6 Ų | 66.6 | 63% | 0.631 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 116.3 | 177.2 | -71.1 | -23.4 | 0 | 0 | 0 | 110.2 | C121 T128 | C121-N126 PolarHBondContact O-OD1 3.34Å; C121-N126 VanDerWaalsContact O-OD1 3.09Å; N126-T128 PolarHBondContact O-N 3.09Å |
| 127 | L | 79.6 | Confident | 80.1 | Confident | 55 Ų | 55 | 74.4 Ų | 74.4 | 29% | 0.288 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 135.6 | 165.1 | -64.7 | 173.7 | 0 | 0 | 0 | 109.4 | L120 E125 E131 M132 L135 | L120-L127 HydrophobicContact CB-CD1 4.31Å; L120-L127 HydrophobicContact CD1-CD1 4.25Å; E125-L127 PolarHBondContact O-N 3.28Å; E125-L127 VanDerWaalsContact O-N 3.14Å; L127-E131 HydrophobicContact CB-CB 4.24Å; L127-E131 HydrophobicContact CD2-CB 4.12Å; L127-M132 HydrophobicContact CB-CE 4.13Å; L127-M132 HydrophobicContact CD1-CE 3.7Å; L127-M132 HydrophobicContact CG-CE 4.5Å; L127-L135 HydrophobicContact CD1-CD1 3.98Å |
| 128 | T | 82.2 | Confident | 80.1 | Confident | 77 Ų | 77 | 78.7 Ų | 78.7 | 47% | 0.472 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 160 | 168.9 | 62.3 | 0 | 0 | 0 | 0 | 110.4 | N126 V130 E131 M132 | N126-T128 PolarHBondContact O-N 3.09Å; T128-V130 PolarHBondContact O-N 2.95Å; T128-E131 WeakPolarHBondContact CB-OE2 3.27Å; T128-E131 WeakPolarHBondContact CG2-OE2 3.34Å; T128-E131 PolarHBondContact N-OE2 2.91Å; T128-E131 PolarHBondContact O-N 3.15Å; T128-E131 VanDerWaalsContact O-N 3.11Å; T128-E131 VanDerWaalsContact OG1-CD 3.26Å; T128-E131 VanDerWaalsContact OG1-CG 3.28Å; T128-E131 WeakPolarHBondContact OG1-CG 3.43Å; T128-E131 PolarHBondContact OG1-N 3.38Å; T128-E131 PolarHBondContact OG1-OE2 3.27Å; T128-M132 WeakPolarHBondContact O-CB 3.47Å; T128-M132 PolarHBondContact O-N 2.94Å |
| 129 | E | 84.2 | Confident | 80.1 | Confident | 124 Ų | 124 | 73.1 Ų | 73.1 | 58% | 0.579 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -52.5 | -40 | 175.7 | -70.6 | -66.3 | 138.4 | 0 | 0 | 112.1 | R117 M132 D133 | R117-E129 IonicContact CZ-OE2 3.9Å; R117-E129 IonicContact NH1-OE1 3.86Å; R117-E129 PolarHBondContact NH1-OE1 3.3Å; R117-E129 VanDerWaalsContact NH1-OE1 3.1Å; R117-E129 IonicContact NH1-OE2 2.94Å; R117-E129 PolarHBondContact NH1-OE2 3.34Å; R117-E129 IonicContact NH2-OE2 3.97Å; E129-M132 PolarHBondContact O-N 3.01Å; E129-D133 WeakPolarHBondContact O-CB 3.19Å; E129-D133 PolarHBondContact O-N 2.94Å |
| 130 | V | 85.7 | Confident | 80.2 | Confident | 113 Ų | 113 | 80.7 Ų | 80.7 | 69% | 0.685 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -68 | -42.5 | 179.5 | 179.2 | 0 | 0 | 0 | 0 | 111.8 | T128 A134 | T128-V130 PolarHBondContact O-N 2.95Å; V130-A134 WeakPolarHBondContact O-CB 3.23Å; V130-A134 PolarHBondContact O-N 3.34Å |
| 131 | E | 85.3 | Confident | 80.3 | Confident | 102 Ų | 102 | 81.5 Ų | 81.5 | 48% | 0.477 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 177.1 | -70.7 | 162.7 | 143.3 | 0 | 0 | 111.5 | L127 T128 A134 L135 | L127-E131 HydrophobicContact CB-CB 4.24Å; L127-E131 HydrophobicContact CD2-CB 4.12Å; T128-E131 WeakPolarHBondContact CB-OE2 3.27Å; T128-E131 WeakPolarHBondContact CG2-OE2 3.34Å; T128-E131 PolarHBondContact N-OE2 2.91Å; T128-E131 PolarHBondContact O-N 3.15Å; T128-E131 VanDerWaalsContact O-N 3.11Å; T128-E131 VanDerWaalsContact OG1-CD 3.26Å; T128-E131 VanDerWaalsContact OG1-CG 3.28Å; T128-E131 WeakPolarHBondContact OG1-CG 3.43Å; T128-E131 PolarHBondContact OG1-N 3.38Å; T128-E131 PolarHBondContact OG1-OE2 3.27Å; E131-A134 PolarHBondContact O-N 2.91Å; E131-L135 VanDerWaalsContact O-CB 3.28Å; E131-L135 WeakPolarHBondContact O-CB 2.97Å; E131-L135 PolarHBondContact O-N 3.36Å |
| 132 | M | 86.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 81.6 Ų | 81.6 | 0% | 0 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 175 | -176.9 | 56.4 | 63.5 | 0 | 0 | 111.4 | R117 L120 L127 T128 E129 A134 L135 L136 | R117-M132 HydrophobicContact CB-CE 4.26Å; R117-M132 HydrophobicContact CB-CG 4.27Å; R117-M132 HydrophobicContact CB-SD 4.03Å; R117-M132 HydrophobicContact CG-CE 4.07Å; R117-M132 HydrophobicContact CG-CG 3.98Å; R117-M132 HydrophobicContact CG-SD 4.22Å; L120-M132 HydrophobicContact CB-CE 3.68Å; L120-M132 HydrophobicContact CD1-CE 3.82Å; L120-M132 HydrophobicContact CD1-SD 4.04Å; L120-M132 HydrophobicContact CG-CE 4.4Å; L127-M132 HydrophobicContact CB-CE 4.13Å; L127-M132 HydrophobicContact CD1-CE 3.7Å; L127-M132 HydrophobicContact CG-CE 4.5Å; T128-M132 WeakPolarHBondContact O-CB 3.47Å; T128-M132 PolarHBondContact O-N 2.94Å; E129-M132 PolarHBondContact O-N 3.01Å; M132-A134 VanDerWaalsContact C-N 3.34Å; M132-A134 PolarHBondContact O-N 3.39Å; M132-L135 PolarHBondContact O-N 3.32Å; M132-L136 HydrophobicContact CG-CD1 4.03Å; M132-L136 HydrophobicContact CG-CG 4.41Å; M132-L136 WeakPolarHBondContact O-CB 3.1Å; M132-L136 VanDerWaalsContact O-CG 3.3Å; M132-L136 WeakPolarHBondContact O-CG 3.34Å; M132-L136 PolarHBondContact O-N 3.39Å; M132-L136 HydrophobicContact SD-CD1 4.28Å; M132-L136 HydrophobicContact SD-CG 4.17Å |
| 133 | D | 86.7 | Confident | 81.6 | Confident | 86 Ų | 86 | 82.9 Ų | 82.9 | 46% | 0.46 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 179.6 | -70.8 | -10.3 | 0 | 0 | 0 | 111.2 | R117 E129 L135 L136 E137 | R117-D133 IonicContact CZ-OD1 2.72Å; R117-D133 IonicContact NH2-OD1 3.42Å; R117-D133 PolarHBondContact NH2-OD1 2.94Å; E129-D133 WeakPolarHBondContact O-CB 3.19Å; E129-D133 PolarHBondContact O-N 2.94Å; D133-L135 VanDerWaalsContact C-N 3.32Å; D133-L135 PolarHBondContact O-N 3.09Å; D133-L136 PolarHBondContact O-N 3.48Å; D133-E137 WeakPolarHBondContact O-CB 3.47Å; D133-E137 PolarHBondContact O-N 2.64Å |
| 134 | A | 86.7 | Confident | 82.8 | Confident | 47 Ų | 47 | 83.9 Ų | 83.9 | 39% | 0.388 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.2 | -36.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V130 E131 M132 K138 | V130-A134 WeakPolarHBondContact O-CB 3.23Å; V130-A134 PolarHBondContact O-N 3.34Å; E131-A134 PolarHBondContact O-N 2.91Å; M132-A134 VanDerWaalsContact C-N 3.34Å; M132-A134 PolarHBondContact O-N 3.39Å; A134-K138 PolarHBondContact O-N 2.95Å |
| 135 | L | 85.4 | Confident | 84.1 | Confident | 40 Ų | 40 | 82.2 Ų | 82.2 | 21% | 0.209 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -69.4 | -42.2 | 176.2 | -175.5 | 149.9 | 0 | 0 | 0 | 111.3 | L116 L120 L127 E131 M132 D133 E137 K138 A139 F152 | L116-L135 HydrophobicContact CD2-CD2 4.46Å; L120-L135 HydrophobicContact CD1-CD1 4.13Å; L120-L135 HydrophobicContact CD1-CD2 3.66Å; L127-L135 HydrophobicContact CD1-CD1 3.98Å; E131-L135 VanDerWaalsContact O-CB 3.28Å; E131-L135 WeakPolarHBondContact O-CB 2.97Å; E131-L135 PolarHBondContact O-N 3.36Å; M132-L135 PolarHBondContact O-N 3.32Å; D133-L135 VanDerWaalsContact C-N 3.32Å; D133-L135 PolarHBondContact O-N 3.09Å; L135-E137 VanDerWaalsContact C-N 3.33Å; L135-E137 PolarHBondContact O-N 2.87Å; L135-K138 WeakPolarHBondContact O-CB 3.3Å; L135-K138 PolarHBondContact O-N 3.41Å; L135-A139 WeakPolarHBondContact O-CB 3.47Å; L135-A139 PolarHBondContact O-N 3.35Å; L135-F152 HydrophobicContact CD1-CZ 4.07Å; L135-F152 HydrophobicContact CD2-CE1 4.03Å; L135-F152 HydrophobicContact CD2-CE2 4Å; L135-F152 HydrophobicContact CD2-CZ 3.39Å; L135-F152 HydrophobicContact CG-CE2 4.14Å; L135-F152 HydrophobicContact CG-CZ 3.67Å |
| 136 | L | 85.2 | Confident | 85.3 | Confident | 19 Ų | 19 | 79.7 Ų | 79.7 | 10% | 0.099 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 175.3 | -70.7 | 172.7 | 0 | 0 | 0 | 111.9 | A113 L116 M132 D133 K138 A139 K140 V141 V147 | A113-L136 HydrophobicContact CB-CD1 4.26Å; A113-L136 HydrophobicContact CB-CD2 4.01Å; L116-L136 HydrophobicContact CD2-CD2 3.65Å; L116-L136 HydrophobicContact CG-CD2 4.26Å; M132-L136 HydrophobicContact CG-CD1 4.03Å; M132-L136 HydrophobicContact CG-CG 4.41Å; M132-L136 WeakPolarHBondContact O-CB 3.1Å; M132-L136 VanDerWaalsContact O-CG 3.3Å; M132-L136 WeakPolarHBondContact O-CG 3.34Å; M132-L136 PolarHBondContact O-N 3.39Å; M132-L136 HydrophobicContact SD-CD1 4.28Å; M132-L136 HydrophobicContact SD-CG 4.17Å; D133-L136 PolarHBondContact O-N 3.48Å; L136-K138 VanDerWaalsContact C-N 3.32Å; L136-K138 PolarHBondContact O-N 2.89Å; L136-A139 PolarHBondContact O-N 3.36Å; L136-K140 PolarHBondContact O-N 3.42Å; L136-V141 HydrophobicContact CB-CG2 4.28Å; L136-V141 HydrophobicContact CD2-CG2 4.46Å; L136-V147 HydrophobicContact CD2-CG2 4.36Å |
| 137 | E | 85.3 | Confident | 86.2 | Confident | 165 Ų | 165 | 74 Ų | 74 | 77% | 0.771 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -59.8 | -43.8 | 173.1 | -172.8 | -179.4 | 179.5 | 0 | 0 | 111.3 | D133 L135 A139 K140 | D133-E137 WeakPolarHBondContact O-CB 3.47Å; D133-E137 PolarHBondContact O-N 2.64Å; L135-E137 VanDerWaalsContact C-N 3.33Å; L135-E137 PolarHBondContact O-N 2.87Å; E137-A139 VanDerWaalsContact C-N 3.33Å; E137-A139 PolarHBondContact O-N 3.13Å; E137-K140 PolarHBondContact O-N 3.32Å |
| 138 | K | 83.5 | Confident | 86.8 | Confident | 145 Ų | 145 | 75.2 Ų | 75.2 | 63% | 0.63 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66.1 | -34 | 174.8 | -74.2 | -173.1 | 175 | -167.1 | 0 | 113.2 | A134 L135 L136 K140 | A134-K138 PolarHBondContact O-N 2.95Å; L135-K138 WeakPolarHBondContact O-CB 3.3Å; L135-K138 PolarHBondContact O-N 3.41Å; L136-K138 VanDerWaalsContact C-N 3.32Å; L136-K138 PolarHBondContact O-N 2.89Å; K138-K140 PolarHBondContact O-N 3.14Å |
| 139 | A | 85.4 | Confident | 87.2 | Confident | 8 Ų | 8 | 71.7 Ų | 71.7 | 7% | 0.066 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -6.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L135 L136 E137 V147 F152 | L135-A139 WeakPolarHBondContact O-CB 3.47Å; L135-A139 PolarHBondContact O-N 3.35Å; L136-A139 PolarHBondContact O-N 3.36Å; E137-A139 VanDerWaalsContact C-N 3.33Å; E137-A139 PolarHBondContact O-N 3.13Å; A139-V147 HydrophobicContact CB-CG1 3.74Å; A139-V147 HydrophobicContact CB-CG2 4.15Å; A139-F152 HydrophobicContact CB-CB 4.31Å; A139-F152 HydrophobicContact CB-CD2 3.39Å; A139-F152 HydrophobicContact CB-CE2 3.83Å; A139-F152 HydrophobicContact CB-CG 3.88Å |
| 140 | K | 83.4 | Confident | 87.5 | Confident | 167 Ų | 167 | 68.5 Ų | 68.5 | 73% | 0.726 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 62.5 | 178.9 | -59 | 177.2 | -175.2 | 169.7 | 0 | 112.2 | L136 E137 K138 D142 | L136-K140 PolarHBondContact O-N 3.42Å; E137-K140 PolarHBondContact O-N 3.32Å; K138-K140 PolarHBondContact O-N 3.14Å; K140-D142 PolarHBondContact O-N 2.95Å |
| 141 | V | 85.6 | Confident | 87.7 | Confident | 57 Ų | 57 | 69.1 Ų | 69.1 | 35% | 0.345 | 36% | 0.362 | S | S | . | . | trans | -53.1 | 129.1 | 173.4 | -172.3 | 0 | 0 | 0 | 0 | 109.9 | L136 G145 N146 V147 | L136-V141 HydrophobicContact CB-CG2 4.28Å; L136-V141 HydrophobicContact CD2-CG2 4.46Å; V141-G145 VanDerWaalsContact CG1-CA 3.45Å; V141-N146 WeakPolarHBondContact CA-O 3.34Å; V141-V147 HydrophobicContact CB-CG2 4.5Å; V141-V147 HydrophobicContact CG2-CG2 3.8Å | ||
| 142 | D | 88 | Confident | 87.9 | Confident | 49 Ų | 49 | 64.5 Ų | 64.5 | 26% | 0.262 | 34% | 0.341 | S | S | . | . | trans | -73.5 | -179.7 | 178.2 | 72.1 | 15.9 | 0 | 0 | 0 | 112.3 | K140 D144 G145 N146 | K140-D142 PolarHBondContact O-N 2.95Å; D142-D144 PolarHBondContact O-N 3.49Å; D142-D144 WeakPolarHBondContact OD1-CA 3.45Å; D142-D144 WeakPolarHBondContact OD1-CB 3.37Å; D142-D144 PolarHBondContact OD1-N 2.9Å; D142-G145 PolarHBondContact O-N 3.26Å; D142-G145 PolarHBondContact OD1-N 3.33Å; D142-N146 PolarHBondContact N-O 3.43Å; D142-N146 PolarHBondContact OD1-N 2.75Å; D142-N146 WeakPolarHBondContact OD2-CB 3.29Å | ||
| 143 | S | 87.5 | Confident | 88 | Confident | 121 Ų | 121 | 64.5 Ų | 64.5 | 85% | 0.846 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.6 | 179.3 | 49.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 144 | D | 88.8 | Confident | 87.9 | Confident | 128 Ų | 128 | 66.5 Ų | 66.5 | 68% | 0.684 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -1 | -178.6 | -63.6 | -52 | 0 | 0 | 0 | 111.9 | D142 N146 | D142-D144 PolarHBondContact O-N 3.49Å; D142-D144 WeakPolarHBondContact OD1-CA 3.45Å; D142-D144 WeakPolarHBondContact OD1-CB 3.37Å; D142-D144 PolarHBondContact OD1-N 2.9Å; D144-N146 VanDerWaalsContact CB-ND2 3.34Å; D144-N146 WeakPolarHBondContact CB-ND2 3.39Å |
| 145 | G | 90.1 | Very high | 87.7 | Confident | 26 Ų | 26 | 66.1 Ų | 66.1 | 27% | 0.268 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 85.2 | 17.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A113 V141 D142 | A113-G145 PolarHBondContact N-O 2.98Å; V141-G145 VanDerWaalsContact CG1-CA 3.45Å; D142-G145 PolarHBondContact O-N 3.26Å; D142-G145 PolarHBondContact OD1-N 3.33Å |
| 146 | N | 93 | Very high | 87.5 | Confident | 26 Ų | 26 | 67.3 Ų | 67.3 | 14% | 0.139 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 153.7 | -178.2 | -50.5 | -56.4 | 0 | 0 | 0 | 112.4 | F110 L111 V141 D142 D144 | F110-N146 HydrophobicContact CB-CB 4.1Å; F110-N146 HydrophobicContact CD2-CB 3.66Å; F110-N146 HydrophobicContact CE2-CB 4.37Å; F110-N146 HydrophobicContact CG-CB 4.09Å; L111-N146 CarbonylContact O-C 3.57Å; L111-N146 WeakPolarHBondContact O-CA 3.31Å; V141-N146 WeakPolarHBondContact CA-O 3.34Å; D142-N146 PolarHBondContact N-O 3.43Å; D142-N146 PolarHBondContact OD1-N 2.75Å; D142-N146 WeakPolarHBondContact OD2-CB 3.29Å; D144-N146 VanDerWaalsContact CB-ND2 3.34Å; D144-N146 WeakPolarHBondContact CB-ND2 3.39Å |
| 147 | V | 92.2 | Very high | 87 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 120.8 | 176 | 176.1 | 0 | 0 | 0 | 0 | 108.6 | F110 L111 L116 L136 A139 V141 Y149 F152 | F110-V147 CarbonylContact C-O 3.58Å; F110-V147 VanDerWaalsContact CA-O 3.23Å; F110-V147 WeakPolarHBondContact CA-O 3.38Å; F110-V147 WeakPolarHBondContact CB-O 3.45Å; L111-V147 PolarHBondContact N-O 2.87Å; L111-V147 PolarHBondContact O-N 3.13Å; L116-V147 HydrophobicContact CD2-CB 3.96Å; L116-V147 HydrophobicContact CD2-CG1 3.86Å; L116-V147 HydrophobicContact CD2-CG2 3.81Å; L136-V147 HydrophobicContact CD2-CG2 4.36Å; A139-V147 HydrophobicContact CB-CG1 3.74Å; A139-V147 HydrophobicContact CB-CG2 4.15Å; V141-V147 HydrophobicContact CB-CG2 4.5Å; V141-V147 HydrophobicContact CG2-CG2 3.8Å; V147-Y149 PolarHBondContact O-N 3.05Å; V147-F152 HydrophobicContact CG1-CB 3.94Å; V147-F152 HydrophobicContact CG1-CG 4.37Å |
| 148 | H | 92.8 | Very high | 86.3 | Confident | 79 Ų | 79 | 64.2 Ų | 64.2 | 37% | 0.366 | 34% | 0.339 | S | S | . | . | trans | -71.8 | 92.6 | 167.9 | -69.1 | -68.9 | 0 | 0 | 0 | 109.2 | E150 E151 F152 | H148-E150 VanDerWaalsContact C-N 3.25Å; H148-E150 PolarHBondContact O-N 3.38Å; H148-E151 HydrophobicContact CB-CB 4.22Å; H148-E151 HydrophobicContact CB-CG 4.12Å; H148-E151 PolarHBondContact O-N 3.47Å; H148-F152 PolarHBondContact O-N 2.95Å | ||
| 149 | Y | 91 | Very high | 85 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 1% | 0.012 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64 | -28.4 | -169.3 | 59.9 | -98.8 | 0 | 0 | 0 | 112.8 | I97 F100 R101 D104 L111 V147 F152 V153 | I97-Y149 HydrophobicContact CG2-CE2 4.26Å; F100-Y149 HydrophobicContact CB-CD2 3.53Å; F100-Y149 HydrophobicContact CB-CE2 4.15Å; F100-Y149 HydrophobicContact CB-CG 3.79Å; F100-Y149 HydrophobicContact CG-CD2 4.32Å; F100-Y149 HydrophobicContact CG-CG 4.32Å; R101-Y149 HydrophobicContact CG-CE2 3.96Å; R101-Y149 WeakPolarHBondContact CG-OH 3.4Å; D104-Y149 HydrophobicContact CB-CE1 3.91Å; D104-Y149 PolarHBondContact OD2-OH 3.18Å; L111-Y149 HydrophobicContact CD1-CD1 4.43Å; L111-Y149 HydrophobicContact CG-CD1 3.96Å; V147-Y149 PolarHBondContact O-N 3.05Å; Y149-F152 PolarHBondContact O-N 3.47Å; Y149-V153 WeakPolarHBondContact O-CB 3.29Å; Y149-V153 VanDerWaalsContact O-CG2 3.23Å; Y149-V153 WeakPolarHBondContact O-CG2 3.43Å; Y149-V153 PolarHBondContact O-N 2.95Å |
| 150 | E | 90.6 | Very high | 83.3 | Confident | 57 Ų | 57 | 71 Ų | 71 | 27% | 0.266 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 174.4 | -63.2 | -165.9 | 171.3 | 0 | 0 | 111.7 | I97 R101 H148 R154 | I97-E150 HydrophobicContact CD1-CB 4.27Å; I97-E150 HydrophobicContact CD1-CG 4.18Å; I97-E150 HydrophobicContact CG1-CG 4.34Å; I97-E150 HydrophobicContact CG2-CG 3.98Å; R101-E150 IonicContact CZ-OE1 3.92Å; R101-E150 IonicContact NE-OE1 2.76Å; R101-E150 IonicContact NH2-OE1 3.1Å; R101-E150 PolarHBondContact NH2-OE1 3.22Å; H148-E150 VanDerWaalsContact C-N 3.25Å; H148-E150 PolarHBondContact O-N 3.38Å; E150-R154 WeakPolarHBondContact O-CB 3.17Å; E150-R154 WeakPolarHBondContact O-CG 3.13Å; E150-R154 PolarHBondContact O-N 2.87Å |
| 151 | E | 89.2 | Confident | 83.3 | Confident | 126 Ų | 126 | 66.2 Ų | 66.2 | 59% | 0.589 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -69.1 | -39.4 | 174.6 | -62.4 | -168 | 168.9 | 0 | 0 | 111.2 | H148 R154 S155 | H148-E151 HydrophobicContact CB-CB 4.22Å; H148-E151 HydrophobicContact CB-CG 4.12Å; H148-E151 PolarHBondContact O-N 3.47Å; E151-R154 PolarHBondContact O-N 3.35Å; E151-S155 WeakPolarHBondContact O-CB 3.22Å; E151-S155 PolarHBondContact O-N 2.87Å |
| 152 | F | 89.1 | Confident | 83.1 | Confident | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.7 | -49.8 | 174.8 | 173.6 | -121.9 | 0 | 0 | 0 | 111.4 | F100 L135 A139 V147 H148 Y149 R154 S155 I156 | F100-F152 HydrophobicContact CZ-CD1 4.42Å; F100-F152 HydrophobicContact CZ-CE1 4.23Å; L135-F152 HydrophobicContact CD1-CZ 4.07Å; L135-F152 HydrophobicContact CD2-CE1 4.03Å; L135-F152 HydrophobicContact CD2-CE2 4Å; L135-F152 HydrophobicContact CD2-CZ 3.39Å; L135-F152 HydrophobicContact CG-CE2 4.14Å; L135-F152 HydrophobicContact CG-CZ 3.67Å; A139-F152 HydrophobicContact CB-CB 4.31Å; A139-F152 HydrophobicContact CB-CD2 3.39Å; A139-F152 HydrophobicContact CB-CE2 3.83Å; A139-F152 HydrophobicContact CB-CG 3.88Å; V147-F152 HydrophobicContact CG1-CB 3.94Å; V147-F152 HydrophobicContact CG1-CG 4.37Å; H148-F152 PolarHBondContact O-N 2.95Å; Y149-F152 PolarHBondContact O-N 3.47Å; F152-R154 VanDerWaalsContact C-N 3.33Å; F152-R154 PolarHBondContact O-N 2.88Å; F152-S155 WeakPolarHBondContact O-CB 3.44Å; F152-S155 PolarHBondContact O-N 2.91Å; F152-S155 VanDerWaalsContact O-N 3.1Å; F152-S155 PolarHBondContact O-OG 2.99Å; F152-I156 HydrophobicContact CD2-CG2 4.16Å; F152-I156 HydrophobicContact CE1-CD1 4.35Å; F152-I156 HydrophobicContact CE2-CG2 3.6Å; F152-I156 HydrophobicContact CZ-CD1 4.33Å; F152-I156 HydrophobicContact CZ-CG2 3.97Å; F152-I156 PolarHBondContact O-N 3.48Å; F152-I156 VanDerWaalsContact O-N 3.08Å |
| 153 | V | 88.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 176.9 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | E93 I96 I97 F100 Y149 S155 I156 T157 | E93-V153 HydrophobicContact CG-CG1 3.94Å; I96-V153 HydrophobicContact CB-CG1 3.88Å; I96-V153 HydrophobicContact CB-CG2 4.37Å; I96-V153 HydrophobicContact CD1-CG1 4.43Å; I96-V153 HydrophobicContact CG2-CB 4.43Å; I96-V153 HydrophobicContact CG2-CG1 3.83Å; I96-V153 HydrophobicContact CG2-CG2 3.6Å; I97-V153 HydrophobicContact CG1-CB 3.99Å; I97-V153 HydrophobicContact CG1-CG1 4.03Å; I97-V153 HydrophobicContact CG1-CG2 4.13Å; F100-V153 HydrophobicContact CD2-CG2 3.57Å; F100-V153 HydrophobicContact CE2-CG2 3.67Å; Y149-V153 WeakPolarHBondContact O-CB 3.29Å; Y149-V153 VanDerWaalsContact O-CG2 3.23Å; Y149-V153 WeakPolarHBondContact O-CG2 3.43Å; Y149-V153 PolarHBondContact O-N 2.95Å; V153-S155 VanDerWaalsContact C-N 3.27Å; V153-S155 PolarHBondContact O-N 3.21Å; V153-I156 WeakPolarHBondContact O-CG1 3.35Å; V153-I156 PolarHBondContact O-N 3.33Å; V153-T157 HydrophobicContact CG1-CG2 4.04Å; V153-T157 WeakPolarHBondContact O-CG2 3.45Å; V153-T157 PolarHBondContact O-N 2.99Å; V153-T157 PolarHBondContact O-OG1 3.08Å |
| 154 | R | 85.5 | Confident | 82.6 | Confident | 128 Ų | 128 | 64.5 Ų | 64.5 | 48% | 0.483 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.2 | -41.2 | 175.7 | -78.3 | 177.6 | -173 | 155.3 | 12.9 | 112.8 | E93 E150 E151 F152 T157 S158 | E93-R154 HydrophobicContact CG-CG 4.44Å; E93-R154 WeakPolarHBondContact OE1-CG 3.19Å; E93-R154 IonicContact OE1-CZ 2.77Å; E93-R154 IonicContact OE1-NE 3.68Å; E93-R154 PolarHBondContact OE1-NE 2.92Å; E93-R154 IonicContact OE1-NH2 3.64Å; E150-R154 WeakPolarHBondContact O-CB 3.17Å; E150-R154 WeakPolarHBondContact O-CG 3.13Å; E150-R154 PolarHBondContact O-N 2.87Å; E151-R154 PolarHBondContact O-N 3.35Å; F152-R154 VanDerWaalsContact C-N 3.33Å; F152-R154 PolarHBondContact O-N 2.88Å; R154-T157 WeakPolarHBondContact CA-OG1 3.28Å; R154-T157 PolarHBondContact O-N 2.8Å; R154-T157 PolarHBondContact O-OG1 3.09Å; R154-S158 WeakPolarHBondContact O-CB 3.23Å; R154-S158 PolarHBondContact O-N 2.62Å; R154-S158 PolarHBondContact O-OG 3.44Å |
| 155 | S | 83.2 | Confident | 82.2 | Confident | 38 Ų | 38 | 60.6 Ų | 60.6 | 27% | 0.266 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 180 | 75.8 | 0 | 0 | 0 | 0 | 112.3 | E151 F152 V153 S158 | E151-S155 WeakPolarHBondContact O-CB 3.22Å; E151-S155 PolarHBondContact O-N 2.87Å; F152-S155 WeakPolarHBondContact O-CB 3.44Å; F152-S155 PolarHBondContact O-N 2.91Å; F152-S155 VanDerWaalsContact O-N 3.1Å; F152-S155 PolarHBondContact O-OG 2.99Å; V153-S155 VanDerWaalsContact C-N 3.27Å; V153-S155 PolarHBondContact O-N 3.21Å; S155-S158 PolarHBondContact O-OG 3.18Å |
| 156 | I | 80.3 | Confident | 81.7 | Confident | 65 Ų | 65 | 62.9 Ų | 62.9 | 33% | 0.333 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -79.2 | -29.1 | 179.5 | 63.2 | 174.1 | 0 | 0 | 0 | 112.3 | F152 V153 | F152-I156 HydrophobicContact CD2-CG2 4.16Å; F152-I156 HydrophobicContact CE1-CD1 4.35Å; F152-I156 HydrophobicContact CE2-CG2 3.6Å; F152-I156 HydrophobicContact CZ-CD1 4.33Å; F152-I156 HydrophobicContact CZ-CG2 3.97Å; F152-I156 PolarHBondContact O-N 3.48Å; F152-I156 VanDerWaalsContact O-N 3.08Å; V153-I156 WeakPolarHBondContact O-CG1 3.35Å; V153-I156 PolarHBondContact O-N 3.33Å |
| 157 | T | 73.6 | Confident | 80.9 | Confident | 36 Ų | 36 | 65.5 Ų | 65.5 | 22% | 0.221 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -84 | -20.4 | 177.1 | 58.9 | 0 | 0 | 0 | 0 | 113.3 | I96 V153 R154 | I96-T157 HydrophobicContact CD1-CG2 4.13Å; V153-T157 HydrophobicContact CG1-CG2 4.04Å; V153-T157 WeakPolarHBondContact O-CG2 3.45Å; V153-T157 PolarHBondContact O-N 2.99Å; V153-T157 PolarHBondContact O-OG1 3.08Å; R154-T157 WeakPolarHBondContact CA-OG1 3.28Å; R154-T157 PolarHBondContact O-N 2.8Å; R154-T157 PolarHBondContact O-OG1 3.09Å |
| 158 | S | 70.5 | Confident | 80 | Confident | 83 Ų | 83 | 70.5 Ų | 70.5 | 58% | 0.58 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -81.2 | -20.3 | 174.6 | 65.2 | 0 | 0 | 0 | 0 | 113.8 | R154 S155 L160 | R154-S158 WeakPolarHBondContact O-CB 3.23Å; R154-S158 PolarHBondContact O-N 2.62Å; R154-S158 PolarHBondContact O-OG 3.44Å; S155-S158 PolarHBondContact O-OG 3.18Å; S158-L160 VanDerWaalsContact C-N 3.28Å |
| 159 | D | 57.5 | Low | 78.9 | Confident | 135 Ų | 135 | 69.8 Ų | 69.8 | 72% | 0.722 | 36% | 0.362 | S | S | * | . | trans | -85 | -1.3 | 177 | -78.2 | -5.4 | 0 | 0 | 0 | 112.8 | ||||
| 160 | L | 48.7 | Very low | 77.8 | Confident | 161 Ų | 161 | 75.9 Ų | 75.9 | 84% | 0.843 | 39% | 0.394 | S | S | * | . | trans | -89.6 | 0 | 172.9 | -88.3 | 149.8 | 0 | 0 | 0 | 111 | M50 S158 | M50-L160 HydrophobicContact SD-CD2 3.86Å; S158-L160 VanDerWaalsContact C-N 3.28Å |
Retrieved 160 of 160 residues in 37.7 ms
(Link to these results)