| 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 | 32.6 | Very low | 43.3 | Very low | 252 Ų | 252 | 103.1 Ų | 103.1 | 100% | 1.241 | 59% | 0.587 | S | S | * | * | 0 | 131.7 | 0 | -76.3 | 175 | 169.4 | 0 | 0 | 107.4 | |||||
| 2 | G | 40.8 | Very low | 43.9 | Very low | 69 Ų | 69 | 99.9 Ų | 99.9 | 71% | 0.711 | 58% | 0.576 | S | S | * | * | trans | 126 | 36.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L4 | G2-L4 PolarHBondContact O-N 3.47Š| ||
| 3 | T | 39.2 | Very low | 44.6 | Very low | 127 Ų | 127 | 95.1 Ų | 95.1 | 78% | 0.779 | 55% | 0.549 | S | S | * | . | trans | -58.2 | 120.2 | 174.4 | -19.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 4 | L | 41.1 | Very low | 45.1 | Very low | 118 Ų | 118 | 104.2 Ų | 104.2 | 62% | 0.618 | 57% | 0.57 | S | S | * | * | trans | 59.5 | 83.6 | 172.8 | -62.9 | 103.4 | 0 | 0 | 0 | 115.1 | G2 K6 | G2-L4 PolarHBondContact O-N 3.47Å; L4-K6 HydrophobicContact CB-CG 4.2Å; L4-K6 HydrophobicContact CD2-CG 4.26Å; L4-K6 PolarHBondContact O-N 3.09Å | ||
| 5 | C | 44.2 | Very low | 45.9 | Very low | 48 Ų | 48 | 102.5 Ų | 102.5 | 32% | 0.324 | 58% | 0.575 | S | S | . | * | -58 | 95.4 | 128.9 | -61.7 | 0 | 0 | 0 | 0 | 104.2 | A7 C41 | C5-A7 PolarHBondContact O-N 2.88Å; C5-C41 HydrophobicContact CB-CB 4.24Å; C5-C41 WeakPolarHBondContact CB-SG 3.32Å; C5-C41 WeakPolarHBondContact SG-CA 3.31Å; C5-C41 WeakPolarHBondContact SG-CB 3.42Å; C5-C41 CovalentContact SG-SG 2.02Å; C5-C41 PolarHBondContact SG-SG 3.47Å | |||
| 6 | K | 45.7 | Very low | 46.7 | Very low | 86 Ų | 86 | 100.4 Ų | 100.4 | 37% | 0.374 | 56% | 0.558 | S | S | . | * | trans | -51.5 | 110.1 | 179.3 | -80.9 | 177.3 | -178.2 | 176.4 | 0 | 104.6 | L4 L8 D74 E75 | L4-K6 HydrophobicContact CB-CG 4.2Å; L4-K6 HydrophobicContact CD2-CG 4.26Å; L4-K6 PolarHBondContact O-N 3.09Å; K6-L8 PolarHBondContact O-N 3.18Å; K6-D74 PolarHBondContact NZ-O 3.31Å; K6-E75 VanDerWaalsContact CB-O 3.22Å; K6-E75 WeakPolarHBondContact CB-O 3.42Å; K6-E75 WeakPolarHBondContact CD-O 3.37Å | ||
| 7 | A | 44.9 | Very low | 47.5 | Very low | 81 Ų | 81 | 96.1 Ų | 96.1 | 67% | 0.669 | 54% | 0.535 | S | S | * | . | trans | -53.2 | 123 | 176.2 | 0 | 0 | 0 | 0 | 0 | 104.5 | C5 G9 | C5-A7 PolarHBondContact O-N 2.88Å; A7-G9 WeakPolarHBondContact O-CA 3.46Å; A7-G9 PolarHBondContact O-N 2.71Å | ||
| 8 | L | 49.3 | Very low | 48.6 | Very low | 34 Ų | 34 | 99.2 Ų | 99.2 | 18% | 0.178 | 56% | 0.557 | C | S | . | * | trans | -50.6 | 100.5 | 176.4 | -110.9 | 169.2 | 0 | 0 | 0 | 107.1 | K6 R10 T30 F34 L72 N76 | K6-L8 PolarHBondContact O-N 3.18Å; L8-R10 PolarHBondContact O-N 3.21Å; L8-T30 HydrophobicContact CD1-CG2 3.86Å; L8-T30 WeakPolarHBondContact CD1-O 3.3Å; L8-T30 HydrophobicContact CD2-CG2 3.78Å; L8-T30 HydrophobicContact CG-CG2 4.43Å; L8-F34 HydrophobicContact CB-CD2 3.89Å; L8-F34 HydrophobicContact CD1-CB 3.22Å; L8-F34 HydrophobicContact CD1-CD2 3.66Å; L8-F34 HydrophobicContact CD1-CG 3.81Å; L8-F34 HydrophobicContact CG-CB 4.48Å; L8-F34 HydrophobicContact CG-CD2 4.17Å; L8-L72 HydrophobicContact CD2-CD2 4.22Å; L8-N76 WeakPolarHBondContact CD2-ND2 3.34Å; L8-N76 WeakPolarHBondContact CD2-OD1 2.95Å; L8-N76 WeakPolarHBondContact CG-OD1 3.32Å | ||
| 9 | G | 44.4 | Very low | 49.8 | Very low | 49 Ų | 49 | 97.5 Ų | 97.5 | 51% | 0.505 | 55% | 0.547 | S | S | . | . | trans | -85.6 | 71.1 | -152 | 0 | 0 | 0 | 0 | 0 | 107.2 | A7 L11 | A7-G9 WeakPolarHBondContact O-CA 3.46Å; A7-G9 PolarHBondContact O-N 2.71Å; G9-L11 PolarHBondContact O-N 3.32Å | ||
| 10 | R | 44.3 | Very low | 50.8 | Low | 241 Ų | 241 | 97.9 Ų | 97.9 | 91% | 0.909 | 56% | 0.556 | S | S | * | * | trans | 46.6 | 45.1 | 173.1 | -59.1 | 176.6 | 172.3 | -169.9 | -2.7 | 112.1 | L8 S12 | L8-R10 PolarHBondContact O-N 3.21Å; R10-S12 VanDerWaalsContact C-N 3.25Å; R10-S12 PolarHBondContact O-N 3.39Å | ||
| 11 | L | 50.2 | Low | 51.9 | Low | 29 Ų | 29 | 99.6 Ų | 99.6 | 15% | 0.152 | 56% | 0.559 | C | S | . | * | trans | -64.4 | 99.9 | 167.1 | -113.8 | 107.5 | 0 | 0 | 0 | 106.6 | G9 V13 F16 L72 E75 | G9-L11 PolarHBondContact O-N 3.32Å; L11-V13 PolarHBondContact O-N 3.41Å; L11-F16 HydrophobicContact CD2-CD2 3.74Å; L11-F16 HydrophobicContact CD2-CE1 4.41Å; L11-F16 HydrophobicContact CD2-CE2 3.03Å; L11-F16 HydrophobicContact CD2-CZ 3.41Å; L11-F16 VanDerWaalsContact CD2-CZ 3.41Å; L11-F16 HydrophobicContact CG-CE2 3.79Å; L11-F16 HydrophobicContact CG-CZ 4.31Å; L11-L72 HydrophobicContact CB-CD2 4.49Å; L11-L72 HydrophobicContact CD1-CD2 3.88Å; L11-L72 HydrophobicContact CD2-CD1 4.38Å; L11-L72 HydrophobicContact CD2-CD2 3.61Å; L11-L72 HydrophobicContact CD2-CG 3.85Å; L11-L72 HydrophobicContact CG-CD2 4.21Å; L11-E75 WeakPolarHBondContact CD1-OE2 3.46Å | ||
| 12 | S | 50.6 | Low | 53.7 | Low | 65 Ų | 65 | 92.4 Ų | 92.4 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | trans | -63.9 | 111.1 | 172.1 | 178.3 | 0 | 0 | 0 | 0 | 105.9 | R10 R14 A15 | R10-S12 VanDerWaalsContact C-N 3.25Å; R10-S12 PolarHBondContact O-N 3.39Å; S12-R14 PolarHBondContact O-N 3.44Å; S12-A15 VanDerWaalsContact O-CB 3.25Å; S12-A15 WeakPolarHBondContact O-CB 3.25Å; S12-A15 PolarHBondContact O-N 3.5Å | ||
| 13 | V | 53 | Low | 55.2 | Low | 37 Ų | 37 | 90.2 Ų | 90.2 | 22% | 0.224 | 50% | 0.497 | C | S | . | . | G | 310 helix | trans | -47.9 | -34.5 | 172.5 | 171 | 0 | 0 | 0 | 0 | 110.6 | L11 A15 F16 A23 L26 A27 | L11-V13 PolarHBondContact O-N 3.41Å; V13-A15 VanDerWaalsContact C-N 3.29Å; V13-A15 PolarHBondContact O-N 2.93Å; V13-F16 PolarHBondContact O-N 2.96Å; V13-A23 HydrophobicContact CG1-CB 3.7Å; V13-A23 WeakPolarHBondContact CG1-O 3.5Å; V13-L26 HydrophobicContact CB-CD2 4.28Å; V13-L26 HydrophobicContact CG1-CB 4.24Å; V13-L26 HydrophobicContact CG1-CD2 4.01Å; V13-L26 HydrophobicContact CG1-CG 4.32Å; V13-L26 HydrophobicContact CG2-CG 4.42Å; V13-L26 WeakPolarHBondContact O-CD2 3.49Å; V13-A27 HydrophobicContact CG2-CB 4.03Å |
| 14 | R | 50.8 | Low | 56.9 | Low | 223 Ų | 223 | 85.7 Ų | 85.7 | 84% | 0.842 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -68.3 | -20.1 | 176.4 | -65.5 | -176.4 | 176.9 | 173 | -1.1 | 114.8 | S12 F16 | S12-R14 PolarHBondContact O-N 3.44Å; R14-F16 PolarHBondContact O-N 2.99Å |
| 15 | A | 56.7 | Low | 58.6 | Low | 78 Ų | 78 | 83 Ų | 83 | 65% | 0.645 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -71.7 | -19.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S12 V13 | S12-A15 VanDerWaalsContact O-CB 3.25Å; S12-A15 WeakPolarHBondContact O-CB 3.25Å; S12-A15 PolarHBondContact O-N 3.5Å; V13-A15 VanDerWaalsContact C-N 3.29Å; V13-A15 PolarHBondContact O-N 2.93Å |
| 16 | F | 58.8 | Low | 60.2 | Low | 69 Ų | 69 | 80.8 Ų | 80.8 | 30% | 0.303 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -25.2 | -174.2 | -74.7 | -91.1 | 0 | 0 | 0 | 113.4 | L11 V13 R14 L26 T68 K71 | L11-F16 HydrophobicContact CD2-CD2 3.74Å; L11-F16 HydrophobicContact CD2-CE1 4.41Å; L11-F16 HydrophobicContact CD2-CE2 3.03Å; L11-F16 HydrophobicContact CD2-CZ 3.41Å; L11-F16 VanDerWaalsContact CD2-CZ 3.41Å; L11-F16 HydrophobicContact CG-CE2 3.79Å; L11-F16 HydrophobicContact CG-CZ 4.31Å; V13-F16 PolarHBondContact O-N 2.96Å; R14-F16 PolarHBondContact O-N 2.99Å; F16-L26 HydrophobicContact CB-CD2 3.43Å; F16-L26 VanDerWaalsContact CB-CD2 3.43Å; F16-L26 HydrophobicContact CD2-CD2 4.24Å; F16-L26 HydrophobicContact CG-CD2 4.02Å; F16-T68 HydrophobicContact CD1-CG2 3.59Å; F16-T68 HydrophobicContact CE1-CG2 4.07Å; F16-T68 HydrophobicContact CG-CG2 4.22Å; F16-K71 HydrophobicContact CE1-CD 4.21Å; F16-K71 HydrophobicContact CZ-CD 4.23Å |
| 17 | T | 61.4 | Low | 61.6 | Low | 27 Ų | 27 | 78.6 Ų | 78.6 | 17% | 0.166 | 44% | 0.442 | C | S | . | . | trans | -157.8 | 143 | -177.9 | -177 | 0 | 0 | 0 | 0 | 113.2 | D19 K22 A23 L26 | T17-D19 WeakPolarHBondContact OG1-CB 3.29Å; T17-D19 PolarHBondContact OG1-N 3.04Å; T17-D19 PolarHBondContact OG1-O 3.05Å; T17-K22 HydrophobicContact CG2-CB 3.84Å; T17-A23 HydrophobicContact CG2-CB 3.94Å; T17-L26 HydrophobicContact CG2-CD2 4.46Å | ||
| 18 | T | 67.3 | Low | 63.3 | Low | 152 Ų | 152 | 79.8 Ų | 79.8 | 93% | 0.933 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -93.3 | -13.9 | 166.7 | 53.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 19 | D | 71.6 | Confident | 64.8 | Low | 67 Ų | 67 | 78.1 Ų | 78.1 | 36% | 0.358 | 43% | 0.428 | S | S | . | . | trans | -73.1 | 122.1 | 174.8 | -179.8 | -37.3 | 0 | 0 | 0 | 109.5 | T17 E21 K22 A23 | T17-D19 WeakPolarHBondContact OG1-CB 3.29Å; T17-D19 PolarHBondContact OG1-N 3.04Å; T17-D19 PolarHBondContact OG1-O 3.05Å; D19-E21 PolarHBondContact O-N 2.86Å; D19-E21 WeakPolarHBondContact OD1-CB 3.23Å; D19-E21 PolarHBondContact OD1-N 3.32Å; D19-K22 HydrophobicContact CB-CB 4.08Å; D19-K22 HydrophobicContact CB-CD 4.09Å; D19-K22 HydrophobicContact CB-CG 4.1Å; D19-K22 PolarHBondContact OD1-N 3.5Å; D19-A23 VanDerWaalsContact O-CB 3.29Å; D19-A23 WeakPolarHBondContact O-CB 3.29Å; D19-A23 PolarHBondContact O-N 3.48Å | ||
| 20 | S | 70 | Confident | 66.1 | Low | 106 Ų | 106 | 76.8 Ų | 76.8 | 74% | 0.741 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -67.2 | -31.8 | -175.4 | 52.7 | 0 | 0 | 0 | 0 | 113.8 | A23 G24 | S20-A23 PolarHBondContact O-N 3.41Å; S20-G24 PolarHBondContact O-N 3.38Å |
| 21 | E | 72.6 | Confident | 67.6 | Low | 133 Ų | 133 | 73.2 Ų | 73.2 | 62% | 0.621 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -72.9 | -47.2 | 178.5 | -172.5 | -177.5 | 159.3 | 0 | 0 | 109.7 | D19 A23 G24 H25 | D19-E21 PolarHBondContact O-N 2.86Å; D19-E21 WeakPolarHBondContact OD1-CB 3.23Å; D19-E21 PolarHBondContact OD1-N 3.32Å; E21-A23 PolarHBondContact O-N 3.1Å; E21-G24 WeakPolarHBondContact O-CA 3.19Å; E21-G24 PolarHBondContact O-N 3.02Å; E21-H25 PolarHBondContact O-N 3.47Å; E21-H25 IonicContact OE1-CE1 2.9Å |
| 22 | K | 71.1 | Confident | 69 | Low | 102 Ų | 102 | 73.6 Ų | 73.6 | 44% | 0.443 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61 | -35.7 | 172.8 | -64.6 | -174.4 | -177.9 | -179.1 | 0 | 111.8 | T17 D19 G24 H25 L26 L64 | T17-K22 HydrophobicContact CG2-CB 3.84Å; D19-K22 HydrophobicContact CB-CB 4.08Å; D19-K22 HydrophobicContact CB-CD 4.09Å; D19-K22 HydrophobicContact CB-CG 4.1Å; D19-K22 PolarHBondContact OD1-N 3.5Å; K22-G24 VanDerWaalsContact C-N 3.3Å; K22-G24 PolarHBondContact O-N 3.03Å; K22-H25 PolarHBondContact O-N 3.32Å; K22-L26 WeakPolarHBondContact O-CB 3.46Å; K22-L26 PolarHBondContact O-N 2.85Å; K22-L64 WeakPolarHBondContact O-CD2 3.44Å |
| 23 | A | 71.1 | Confident | 70 | Confident | 23 Ų | 23 | 70.5 Ų | 70.5 | 19% | 0.19 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V13 T17 D19 S20 E21 L26 A27 | V13-A23 HydrophobicContact CG1-CB 3.7Å; V13-A23 WeakPolarHBondContact CG1-O 3.5Å; T17-A23 HydrophobicContact CG2-CB 3.94Å; D19-A23 VanDerWaalsContact O-CB 3.29Å; D19-A23 WeakPolarHBondContact O-CB 3.29Å; D19-A23 PolarHBondContact O-N 3.48Å; S20-A23 PolarHBondContact O-N 3.41Å; E21-A23 PolarHBondContact O-N 3.1Å; A23-L26 PolarHBondContact O-N 3.44Å; A23-A27 WeakPolarHBondContact O-CB 3.44Å; A23-A27 PolarHBondContact O-N 3.26Å |
| 24 | G | 75.5 | Confident | 70.9 | Confident | 31 Ų | 31 | 72.5 Ų | 72.5 | 32% | 0.32 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60 | -56 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S20 E21 K22 L26 A27 D28 | S20-G24 PolarHBondContact O-N 3.38Å; E21-G24 WeakPolarHBondContact O-CA 3.19Å; E21-G24 PolarHBondContact O-N 3.02Å; K22-G24 VanDerWaalsContact C-N 3.3Å; K22-G24 PolarHBondContact O-N 3.03Å; G24-L26 PolarHBondContact O-N 3.29Å; G24-A27 WeakPolarHBondContact O-CB 3.2Å; G24-A27 PolarHBondContact O-N 2.82Å; G24-A27 VanDerWaalsContact O-N 3.09Å; G24-D28 PolarHBondContact O-N 3.11Å |
| 25 | H | 77.7 | Confident | 72 | Confident | 61 Ų | 61 | 65.8 Ų | 65.8 | 28% | 0.282 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.3 | -38.9 | 177.6 | -64.4 | 154.1 | 0 | 0 | 0 | 112.3 | E21 K22 D28 F29 L64 | E21-H25 PolarHBondContact O-N 3.47Å; E21-H25 IonicContact OE1-CE1 2.9Å; K22-H25 PolarHBondContact O-N 3.32Å; H25-D28 PolarHBondContact O-N 3.17Å; H25-F29 VanDerWaalsContact O-CB 3.3Å; H25-F29 WeakPolarHBondContact O-CB 3.27Å; H25-F29 PolarHBondContact O-N 3.07Å; H25-L64 HydrophobicContact CB-CD2 3.8Å; H25-L64 HydrophobicContact CB-CG 3.95Å |
| 26 | L | 76.8 | Confident | 72.7 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.7 | -41.4 | 178.5 | -178.4 | 63.5 | 0 | 0 | 0 | 111.6 | V13 F16 T17 K22 A23 G24 T30 L64 T68 L72 | V13-L26 HydrophobicContact CB-CD2 4.28Å; V13-L26 HydrophobicContact CG1-CB 4.24Å; V13-L26 HydrophobicContact CG1-CD2 4.01Å; V13-L26 HydrophobicContact CG1-CG 4.32Å; V13-L26 HydrophobicContact CG2-CG 4.42Å; V13-L26 WeakPolarHBondContact O-CD2 3.49Å; F16-L26 HydrophobicContact CB-CD2 3.43Å; F16-L26 VanDerWaalsContact CB-CD2 3.43Å; F16-L26 HydrophobicContact CD2-CD2 4.24Å; F16-L26 HydrophobicContact CG-CD2 4.02Å; T17-L26 HydrophobicContact CG2-CD2 4.46Å; K22-L26 WeakPolarHBondContact O-CB 3.46Å; K22-L26 PolarHBondContact O-N 2.85Å; A23-L26 PolarHBondContact O-N 3.44Å; G24-L26 PolarHBondContact O-N 3.29Å; L26-T30 WeakPolarHBondContact O-CB 3.28Å; L26-T30 PolarHBondContact O-N 2.85Å; L26-T30 PolarHBondContact O-OG1 2.95Å; L26-L64 HydrophobicContact CB-CD1 4.41Å; L26-L64 HydrophobicContact CB-CD2 3.86Å; L26-L64 HydrophobicContact CD1-CD1 4.18Å; L26-T68 HydrophobicContact CD1-CG2 3.89Å; L26-L72 HydrophobicContact CD1-CD1 3.45Å; L26-L72 VanDerWaalsContact CD1-CD1 3.45Å |
| 27 | A | 75.2 | Confident | 73 | Confident | 40 Ų | 40 | 60.9 Ų | 60.9 | 33% | 0.331 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V13 A23 G24 T30 R31 | V13-A27 HydrophobicContact CG2-CB 4.03Å; A23-A27 WeakPolarHBondContact O-CB 3.44Å; A23-A27 PolarHBondContact O-N 3.26Å; G24-A27 WeakPolarHBondContact O-CB 3.2Å; G24-A27 PolarHBondContact O-N 2.82Å; G24-A27 VanDerWaalsContact O-N 3.09Å; A27-T30 PolarHBondContact O-N 3.32Å; A27-R31 VanDerWaalsContact O-CB 3.27Å; A27-R31 WeakPolarHBondContact O-CB 3.48Å; A27-R31 PolarHBondContact O-N 3.25Å |
| 28 | D | 81.2 | Confident | 73.3 | Confident | 106 Ų | 106 | 63.9 Ų | 63.9 | 57% | 0.567 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.8 | -46 | 178.4 | -72.3 | -21.1 | 0 | 0 | 0 | 111.4 | G24 H25 R31 Y32 | G24-D28 PolarHBondContact O-N 3.11Å; H25-D28 PolarHBondContact O-N 3.17Å; D28-R31 PolarHBondContact O-N 3.06Å; D28-Y32 WeakPolarHBondContact O-CB 3.34Å; D28-Y32 PolarHBondContact O-N 2.99Å |
| 29 | F | 79.5 | Confident | 73.1 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 176.1 | -177.7 | -120.4 | 0 | 0 | 0 | 111.9 | H25 R31 Y32 V33 V57 C61 L64 C69 L72 L73 | H25-F29 VanDerWaalsContact O-CB 3.3Å; H25-F29 WeakPolarHBondContact O-CB 3.27Å; H25-F29 PolarHBondContact O-N 3.07Å; F29-R31 VanDerWaalsContact C-N 3.29Å; F29-R31 PolarHBondContact O-N 3.29Å; F29-Y32 HydrophobicContact CD2-CD1 4.46Å; F29-Y32 PolarHBondContact O-N 3.4Å; F29-V33 HydrophobicContact CD1-CG2 4.46Å; F29-V33 HydrophobicContact CD2-CG2 4.12Å; F29-V33 HydrophobicContact CE1-CG2 4.02Å; F29-V33 HydrophobicContact CE2-CG2 3.69Å; F29-V33 HydrophobicContact CG-CG2 4.49Å; F29-V33 HydrophobicContact CZ-CG2 3.63Å; F29-V33 WeakPolarHBondContact O-CB 3.29Å; F29-V33 WeakPolarHBondContact O-CG2 3.44Å; F29-V33 PolarHBondContact O-N 3.14Å; F29-V57 HydrophobicContact CE2-CG1 3.99Å; F29-V57 HydrophobicContact CZ-CG1 4.36Å; F29-C61 WeakPolarHBondContact CE2-SG 3.4Å; F29-C61 WeakPolarHBondContact CZ-SG 3.44Å; F29-L64 HydrophobicContact CB-CD1 3.8Å; F29-L64 HydrophobicContact CD1-CD1 4.09Å; F29-L64 HydrophobicContact CG-CD1 4.16Å; F29-C69 HydrophobicContact CE1-CB 4.12Å; F29-C69 VanDerWaalsContact CE1-SG 3.6Å; F29-C69 HydrophobicContact CZ-CB 4.38Å; F29-L72 HydrophobicContact CD1-CB 4.27Å; F29-L72 HydrophobicContact CD1-CD1 3.54Å; F29-L72 HydrophobicContact CE1-CB 3.68Å; F29-L72 HydrophobicContact CE1-CD1 3.84Å; F29-L72 HydrophobicContact CE1-CG 4.41Å; F29-L73 HydrophobicContact CZ-CD1 4.49Å; F29-L73 HydrophobicContact CZ-CD2 3.88Å; F29-L73 HydrophobicContact CZ-CG 3.97Å |
| 30 | T | 72.7 | Confident | 72.4 | Confident | 20 Ų | 20 | 59.5 Ų | 59.5 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.4 | -44.2 | 175.8 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | L8 L26 A27 V33 F34 | L8-T30 HydrophobicContact CD1-CG2 3.86Å; L8-T30 WeakPolarHBondContact CD1-O 3.3Å; L8-T30 HydrophobicContact CD2-CG2 3.78Å; L8-T30 HydrophobicContact CG-CG2 4.43Å; L26-T30 WeakPolarHBondContact O-CB 3.28Å; L26-T30 PolarHBondContact O-N 2.85Å; L26-T30 PolarHBondContact O-OG1 2.95Å; A27-T30 PolarHBondContact O-N 3.32Å; T30-V33 PolarHBondContact O-N 2.86Å; T30-F34 PolarHBondContact O-N 2.92Å |
| 31 | R | 75.3 | Confident | 71.6 | Confident | 167 Ų | 167 | 57.4 Ų | 57.4 | 63% | 0.63 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.7 | -43.6 | 177.8 | -177.9 | 179 | -179.4 | 118.7 | 0.8 | 111.8 | A27 D28 F29 F34 H35 | A27-R31 VanDerWaalsContact O-CB 3.27Å; A27-R31 WeakPolarHBondContact O-CB 3.48Å; A27-R31 PolarHBondContact O-N 3.25Å; D28-R31 PolarHBondContact O-N 3.06Å; F29-R31 VanDerWaalsContact C-N 3.29Å; F29-R31 PolarHBondContact O-N 3.29Å; R31-F34 VanDerWaalsContact O-CB 3.3Å; R31-F34 WeakPolarHBondContact O-CB 3.32Å; R31-F34 PolarHBondContact O-N 3.09Å; R31-H35 PolarHBondContact O-CD2 2.03Å; R31-H35 PolarHBondContact O-N 3.25Å; R31-H35 VanDerWaalsContact O-N 3.1Å |
| 32 | Y | 79.1 | Confident | 70.4 | Confident | 36 Ų | 36 | 54.8 Ų | 54.8 | 14% | 0.141 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 176.8 | 168.1 | -92.7 | 0 | 0 | 0 | 111.1 | D28 F29 F34 H35 K36 W50 S53 E56 V57 | D28-Y32 WeakPolarHBondContact O-CB 3.34Å; D28-Y32 PolarHBondContact O-N 2.99Å; F29-Y32 HydrophobicContact CD2-CD1 4.46Å; F29-Y32 PolarHBondContact O-N 3.4Å; Y32-F34 VanDerWaalsContact C-N 3.28Å; Y32-F34 PolarHBondContact O-N 2.92Å; Y32-H35 PolarHBondContact O-N 3.49Å; Y32-K36 HydrophobicContact CD1-CG 4.46Å; Y32-K36 HydrophobicContact CD2-CG 4.35Å; Y32-K36 HydrophobicContact CE1-CG 4.01Å; Y32-K36 HydrophobicContact CE2-CD 4.23Å; Y32-K36 HydrophobicContact CE2-CG 3.9Å; Y32-K36 VanDerWaalsContact CZ-CE 3.48Å; Y32-K36 WeakPolarHBondContact O-CG 2.93Å; Y32-K36 PolarHBondContact O-N 3.26Å; Y32-K36 WeakPolarHBondContact OH-CE 3.21Å; Y32-W50 HydrophobicContact CE1-CZ3 4.33Å; Y32-S53 WeakPolarHBondContact OH-CB 3.36Å; Y32-S53 PolarHBondContact OH-O 3.28Å; Y32-E56 HydrophobicContact CE2-CB 3.97Å; Y32-E56 VanDerWaalsContact OH-CB 3.28Å; Y32-E56 WeakPolarHBondContact OH-CB 3.27Å; Y32-V57 HydrophobicContact CE1-CB 4.26Å; Y32-V57 HydrophobicContact CE1-CG2 3.88Å; Y32-V57 PolarHBondContact OH-N 2.68Å |
| 33 | V | 72.4 | Confident | 69.4 | Low | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 177.6 | 166.1 | 0 | 0 | 0 | 0 | 111 | F29 T30 H35 S37 W50 L73 N76 | F29-V33 HydrophobicContact CD1-CG2 4.46Å; F29-V33 HydrophobicContact CD2-CG2 4.12Å; F29-V33 HydrophobicContact CE1-CG2 4.02Å; F29-V33 HydrophobicContact CE2-CG2 3.69Å; F29-V33 HydrophobicContact CG-CG2 4.49Å; F29-V33 HydrophobicContact CZ-CG2 3.63Å; F29-V33 WeakPolarHBondContact O-CB 3.29Å; F29-V33 WeakPolarHBondContact O-CG2 3.44Å; F29-V33 PolarHBondContact O-N 3.14Å; T30-V33 PolarHBondContact O-N 2.86Å; V33-H35 PolarHBondContact O-N 2.77Å; V33-S37 WeakPolarHBondContact O-CB 3.39Å; V33-S37 PolarHBondContact O-N 2.78Å; V33-S37 PolarHBondContact O-OG 3.41Å; V33-S37 VanDerWaalsContact O-OG 3.11Å; V33-W50 HydrophobicContact CB-CH2 4.16Å; V33-W50 HydrophobicContact CG1-CH2 3.97Å; V33-W50 HydrophobicContact CG2-CH2 4.1Å; V33-W50 HydrophobicContact CG2-CZ3 4.41Å; V33-L73 HydrophobicContact CG2-CD2 3.99Å; V33-N76 HydrophobicContact CG1-CB 3.17Å |
| 34 | F | 71.4 | Confident | 68.1 | Low | 79 Ų | 79 | 57.2 Ų | 57.2 | 35% | 0.346 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -54.7 | -55 | 174.2 | -169.3 | -120.6 | 0 | 0 | 0 | 112.4 | L8 T30 R31 Y32 K36 S37 M38 | L8-F34 HydrophobicContact CB-CD2 3.89Å; L8-F34 HydrophobicContact CD1-CB 3.22Å; L8-F34 HydrophobicContact CD1-CD2 3.66Å; L8-F34 HydrophobicContact CD1-CG 3.81Å; L8-F34 HydrophobicContact CG-CB 4.48Å; L8-F34 HydrophobicContact CG-CD2 4.17Å; T30-F34 PolarHBondContact O-N 2.92Å; R31-F34 VanDerWaalsContact O-CB 3.3Å; R31-F34 WeakPolarHBondContact O-CB 3.32Å; R31-F34 PolarHBondContact O-N 3.09Å; Y32-F34 VanDerWaalsContact C-N 3.28Å; Y32-F34 PolarHBondContact O-N 2.92Å; F34-K36 PolarHBondContact O-N 3.15Å; F34-S37 PolarHBondContact O-N 3.44Å; F34-M38 HydrophobicContact CD1-CG 4.16Å; F34-M38 HydrophobicContact CD2-CG 4.22Å; F34-M38 HydrophobicContact CE1-CG 3.83Å; F34-M38 HydrophobicContact CE2-CG 3.93Å; F34-M38 HydrophobicContact CE2-SD 4.16Å; F34-M38 HydrophobicContact CG-CG 4.37Å; F34-M38 HydrophobicContact CZ-CG 3.72Å; F34-M38 HydrophobicContact CZ-SD 4.02Å; F34-M38 WeakPolarHBondContact O-CB 2.94Å; F34-M38 VanDerWaalsContact O-CG 3.3Å; F34-M38 WeakPolarHBondContact O-CG 3.47Å; F34-M38 PolarHBondContact O-N 2.98Å |
| 35 | H | 74.4 | Confident | 66.8 | Low | 83 Ų | 83 | 57.5 Ų | 57.5 | 38% | 0.384 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | -173.2 | -73.1 | -58.9 | 0 | 0 | 0 | 110.4 | R31 Y32 V33 S37 M38 D39 | R31-H35 PolarHBondContact O-CD2 2.03Å; R31-H35 PolarHBondContact O-N 3.25Å; R31-H35 VanDerWaalsContact O-N 3.1Å; Y32-H35 PolarHBondContact O-N 3.49Å; V33-H35 PolarHBondContact O-N 2.77Å; H35-S37 PolarHBondContact O-N 3.47Å; H35-M38 CarbonylContact O-C 3.56Å; H35-M38 PolarHBondContact O-N 2.97Å; H35-M38 VanDerWaalsContact O-N 3.09Å; H35-D39 VanDerWaalsContact O-CG 3.27Å; H35-D39 PolarHBondContact O-N 2.96Å |
| 36 | K | 72.4 | Confident | 65.5 | Low | 34 Ų | 34 | 59.2 Ų | 59.2 | 15% | 0.148 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 174.9 | -66.2 | -69.9 | -177.2 | 167.7 | 0 | 112.1 | Y32 F34 M38 D39 C40 V49 W50 S53 E56 | Y32-K36 HydrophobicContact CD1-CG 4.46Å; Y32-K36 HydrophobicContact CD2-CG 4.35Å; Y32-K36 HydrophobicContact CE1-CG 4.01Å; Y32-K36 HydrophobicContact CE2-CD 4.23Å; Y32-K36 HydrophobicContact CE2-CG 3.9Å; Y32-K36 VanDerWaalsContact CZ-CE 3.48Å; Y32-K36 WeakPolarHBondContact O-CG 2.93Å; Y32-K36 PolarHBondContact O-N 3.26Å; Y32-K36 WeakPolarHBondContact OH-CE 3.21Å; F34-K36 PolarHBondContact O-N 3.15Å; K36-M38 VanDerWaalsContact C-N 3.31Å; K36-M38 PolarHBondContact O-N 3.04Å; K36-D39 PolarHBondContact O-N 3.48Å; K36-C40 PolarHBondContact O-N 3.31Å; K36-C40 PolarHBondContact O-SG 3.35Å; K36-V49 HydrophobicContact CD-CG1 3.96Å; K36-W50 HydrophobicContact CB-CH2 3.74Å; K36-W50 HydrophobicContact CB-CZ2 3.76Å; K36-W50 HydrophobicContact CB-CZ3 4.16Å; K36-S53 PolarHBondContact NZ-OG 3.31Å; K36-E56 IonicContact NZ-OE2 2.61Å; K36-E56 PolarHBondContact NZ-OE2 2.88Å |
| 37 | S | 65.3 | Low | 64.4 | Low | 10 Ų | 10 | 62.3 Ų | 62.3 | 7% | 0.07 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.7 | -34.4 | 172.9 | -67.3 | 0 | 0 | 0 | 0 | 112.6 | V33 F34 H35 C40 C41 W50 N76 | V33-S37 WeakPolarHBondContact O-CB 3.39Å; V33-S37 PolarHBondContact O-N 2.78Å; V33-S37 PolarHBondContact O-OG 3.41Å; V33-S37 VanDerWaalsContact O-OG 3.11Å; F34-S37 PolarHBondContact O-N 3.44Å; H35-S37 PolarHBondContact O-N 3.47Å; S37-C40 WeakPolarHBondContact O-CB 3.45Å; S37-C40 PolarHBondContact O-N 3.4Å; S37-C41 PolarHBondContact O-N 3.44Å; S37-W50 WeakPolarHBondContact OG-CZ2 3.29Å; S37-N76 PolarHBondContact OG-O 3.14Å |
| 38 | M | 66.2 | Low | 63.5 | Low | 89 Ų | 89 | 63.8 Ų | 63.8 | 44% | 0.438 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -73.9 | -38.2 | 177.5 | -74 | -61.7 | -59.8 | 0 | 0 | 112.6 | F34 H35 K36 C40 C41 | F34-M38 HydrophobicContact CD1-CG 4.16Å; F34-M38 HydrophobicContact CD2-CG 4.22Å; F34-M38 HydrophobicContact CE1-CG 3.83Å; F34-M38 HydrophobicContact CE2-CG 3.93Å; F34-M38 HydrophobicContact CE2-SD 4.16Å; F34-M38 HydrophobicContact CG-CG 4.37Å; F34-M38 HydrophobicContact CZ-CG 3.72Å; F34-M38 HydrophobicContact CZ-SD 4.02Å; F34-M38 WeakPolarHBondContact O-CB 2.94Å; F34-M38 VanDerWaalsContact O-CG 3.3Å; F34-M38 WeakPolarHBondContact O-CG 3.47Å; F34-M38 PolarHBondContact O-N 2.98Å; H35-M38 CarbonylContact O-C 3.56Å; H35-M38 PolarHBondContact O-N 2.97Å; H35-M38 VanDerWaalsContact O-N 3.09Å; K36-M38 VanDerWaalsContact C-N 3.31Å; K36-M38 PolarHBondContact O-N 3.04Å; M38-C40 PolarHBondContact O-N 3.44Å; M38-C41 WeakPolarHBondContact O-CA 3.49Å; M38-C41 WeakPolarHBondContact O-CB 3.43Å; M38-C41 PolarHBondContact O-N 3.05Å |
| 39 | D | 64.4 | Low | 62.8 | Low | 107 Ų | 107 | 60.9 Ų | 60.9 | 57% | 0.572 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.2 | -27.3 | 173.2 | -68.9 | -22.1 | 0 | 0 | 0 | 111.2 | H35 K36 C41 | H35-D39 VanDerWaalsContact O-CG 3.27Å; H35-D39 PolarHBondContact O-N 2.96Å; K36-D39 PolarHBondContact O-N 3.48Å; D39-C41 VanDerWaalsContact C-N 3.35Å |
| 40 | C | 55.9 | Low | 62.5 | Low | 20 Ų | 20 | 61.4 Ų | 61.4 | 14% | 0.135 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -14.2 | 171.9 | -71.2 | 0 | 0 | 0 | 0 | 115 | K36 S37 M38 G42 C45 | K36-C40 PolarHBondContact O-N 3.31Å; K36-C40 PolarHBondContact O-SG 3.35Å; S37-C40 WeakPolarHBondContact O-CB 3.45Å; S37-C40 PolarHBondContact O-N 3.4Å; M38-C40 PolarHBondContact O-N 3.44Å; C40-G42 PolarHBondContact O-N 2.87Å; C40-G42 VanDerWaalsContact O-N 3.11Å; C40-C45 WeakPolarHBondContact CA-SG 3.46Å; C40-C45 HydrophobicContact CB-CB 3.48Å; C40-C45 VanDerWaalsContact CB-CB 3.48Å; C40-C45 WeakPolarHBondContact CB-SG 3.35Å; C40-C45 WeakPolarHBondContact SG-CB 3.29Å; C40-C45 CovalentContact SG-SG 2.01Å; C40-C45 PolarHBondContact SG-SG 3.45Å |
| 41 | C | 53.5 | Low | 62.3 | Low | 62 Ų | 62 | 62.9 Ų | 62.9 | 42% | 0.419 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 92.7 | -170.8 | -139.8 | 0 | 0 | 0 | 0 | 110.4 | C5 S37 M38 D39 | C5-C41 HydrophobicContact CB-CB 4.24Å; C5-C41 WeakPolarHBondContact CB-SG 3.32Å; C5-C41 WeakPolarHBondContact SG-CA 3.31Å; C5-C41 WeakPolarHBondContact SG-CB 3.42Å; C5-C41 CovalentContact SG-SG 2.02Å; C5-C41 PolarHBondContact SG-SG 3.47Å; S37-C41 PolarHBondContact O-N 3.44Å; M38-C41 WeakPolarHBondContact O-CA 3.49Å; M38-C41 WeakPolarHBondContact O-CB 3.43Å; M38-C41 PolarHBondContact O-N 3.05Å; D39-C41 VanDerWaalsContact C-N 3.35Å |
| 42 | G | 47.7 | Very low | 62.2 | Low | 79 Ų | 79 | 59.2 Ų | 59.2 | 81% | 0.814 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 128.7 | -24.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | C40 | C40-G42 PolarHBondContact O-N 2.87Å; C40-G42 VanDerWaalsContact O-N 3.11Å |
| 43 | T | 48.9 | Very low | 62 | Low | 120 Ų | 120 | 58 Ų | 58 | 74% | 0.736 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -7.3 | 178.7 | 44.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 44 | G | 44.6 | Very low | 62.3 | Low | 55 Ų | 55 | 59.3 Ų | 59.3 | 57% | 0.567 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 93.6 | -165.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | V46 | G44-V46 VanDerWaalsContact C-N 3.26Å; G44-V46 PolarHBondContact O-N 3.19Å |
| 45 | C | 49.1 | Very low | 62.8 | Low | 37 Ų | 37 | 60.6 Ų | 60.6 | 25% | 0.25 | 38% | 0.384 | C | S | . | . | trans | -57 | 102.3 | 171.7 | -105.5 | 0 | 0 | 0 | 0 | 107.8 | C40 D47 V49 | C40-C45 WeakPolarHBondContact CA-SG 3.46Å; C40-C45 HydrophobicContact CB-CB 3.48Å; C40-C45 VanDerWaalsContact CB-CB 3.48Å; C40-C45 WeakPolarHBondContact CB-SG 3.35Å; C40-C45 WeakPolarHBondContact SG-CB 3.29Å; C40-C45 CovalentContact SG-SG 2.01Å; C40-C45 PolarHBondContact SG-SG 3.45Å; C45-D47 PolarHBondContact O-N 3.05Å; C45-V49 WeakPolarHBondContact SG-CG2 3.35Å | ||
| 46 | V | 49 | Very low | 63.1 | Low | 98 Ų | 98 | 60.4 Ų | 60.4 | 59% | 0.594 | 38% | 0.383 | S | S | * | . | trans | -43.1 | 132.2 | 147.5 | -155 | 0 | 0 | 0 | 0 | 103.7 | G44 C48 V49 | G44-V46 VanDerWaalsContact C-N 3.26Å; G44-V46 PolarHBondContact O-N 3.19Å; V46-C48 HydrophobicContact CB-CB 4.18Å; V46-C48 WeakPolarHBondContact CG1-SG 3.42Å; V46-C48 WeakPolarHBondContact O-CA 3.44Å; V46-C48 PolarHBondContact O-N 3.37Å; V46-V49 PolarHBondContact O-N 3.09Å | ||
| 47 | D | 53.4 | Low | 63.5 | Low | 66 Ų | 66 | 58.8 Ų | 58.8 | 35% | 0.353 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -39.9 | -23.3 | -176.7 | -51.6 | -92.2 | 0 | 0 | 0 | 113.7 | C45 V49 L51 N79 | C45-D47 PolarHBondContact O-N 3.05Å; D47-V49 PolarHBondContact O-N 3.46Å; D47-L51 HydrophobicContact CB-CD1 3.92Å; D47-L51 WeakPolarHBondContact O-CG 3.36Å; D47-L51 PolarHBondContact O-N 2.94Å; D47-N79 VanDerWaalsContact OD1-CG 3.26Å; D47-N79 PolarHBondContact OD1-ND2 3.42Å; D47-N79 PolarHBondContact OD1-OD1 3.15Å |
| 48 | C | 57.1 | Low | 64.4 | Low | 72 Ų | 72 | 58.6 Ų | 58.6 | 49% | 0.486 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -40 | -44.2 | 173.5 | -55.7 | 0 | 0 | 0 | 0 | 119.3 | V46 W50 L51 A52 | V46-C48 HydrophobicContact CB-CB 4.18Å; V46-C48 WeakPolarHBondContact CG1-SG 3.42Å; V46-C48 WeakPolarHBondContact O-CA 3.44Å; V46-C48 PolarHBondContact O-N 3.37Å; C48-W50 PolarHBondContact O-N 2.76Å; C48-L51 PolarHBondContact O-N 2.88Å; C48-A52 WeakPolarHBondContact O-CA 3.28Å; C48-A52 WeakPolarHBondContact O-CB 3.37Å; C48-A52 PolarHBondContact O-N 3.41Å |
| 49 | V | 66.6 | Low | 65.2 | Low | 45 Ų | 45 | 61.2 Ų | 61.2 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.4 | -46 | -170.6 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | K36 C45 V46 D47 S53 | K36-V49 HydrophobicContact CD-CG1 3.96Å; C45-V49 WeakPolarHBondContact SG-CG2 3.35Å; V46-V49 PolarHBondContact O-N 3.09Å; D47-V49 PolarHBondContact O-N 3.46Å; V49-S53 VanDerWaalsContact O-CB 3.28Å; V49-S53 WeakPolarHBondContact O-CB 3.34Å; V49-S53 PolarHBondContact O-N 3.12Å; V49-S53 VanDerWaalsContact O-N 3.09Å; V49-S53 PolarHBondContact O-OG 3.23Å |
| 50 | W | 72.9 | Confident | 65.9 | Low | 10 Ų | 10 | 58 Ų | 58 | 4% | 0.038 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 177.6 | -75.9 | 106.6 | 0 | 0 | 0 | 111.8 | Y32 V33 K36 S37 C48 S53 E54 V57 L73 V77 A82 L86 | Y32-W50 HydrophobicContact CE1-CZ3 4.33Å; V33-W50 HydrophobicContact CB-CH2 4.16Å; V33-W50 HydrophobicContact CG1-CH2 3.97Å; V33-W50 HydrophobicContact CG2-CH2 4.1Å; V33-W50 HydrophobicContact CG2-CZ3 4.41Å; K36-W50 HydrophobicContact CB-CH2 3.74Å; K36-W50 HydrophobicContact CB-CZ2 3.76Å; K36-W50 HydrophobicContact CB-CZ3 4.16Å; S37-W50 WeakPolarHBondContact OG-CZ2 3.29Å; C48-W50 PolarHBondContact O-N 2.76Å; W50-S53 CarbonylContact O-C 3.58Å; W50-S53 PolarHBondContact O-N 2.9Å; W50-E54 PolarHBondContact O-N 2.84Å; W50-V57 HydrophobicContact CE3-CG2 3.78Å; W50-V57 HydrophobicContact CZ3-CG2 3.95Å; W50-L73 HydrophobicContact CH2-CD2 4.35Å; W50-L73 HydrophobicContact CZ3-CD2 3.91Å; W50-V77 HydrophobicContact CD2-CG1 4.27Å; W50-V77 HydrophobicContact CD2-CG2 3.88Å; W50-V77 HydrophobicContact CE3-CG2 4.03Å; W50-V77 HydrophobicContact CG-CG1 4.1Å; W50-V77 HydrophobicContact CH2-CG2 3.93Å; W50-V77 HydrophobicContact CZ2-CG2 3.81Å; W50-V77 HydrophobicContact CZ3-CG2 4.05Å; W50-A82 HydrophobicContact CB-CB 3.86Å; W50-L86 HydrophobicContact CB-CD1 4.12Å; W50-L86 HydrophobicContact CD2-CD1 4.22Å; W50-L86 HydrophobicContact CE3-CD1 3.7Å; W50-L86 HydrophobicContact CG-CD1 4.42Å; W50-L86 HydrophobicContact CZ3-CD1 4.47Å |
| 51 | L | 69.4 | Low | 67.2 | Low | 51 Ų | 51 | 57.6 Ų | 57.6 | 27% | 0.267 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.5 | -38.9 | 179.3 | -63.5 | 178.4 | 0 | 0 | 0 | 112.8 | D47 C48 S53 E54 A82 I85 | D47-L51 HydrophobicContact CB-CD1 3.92Å; D47-L51 WeakPolarHBondContact O-CG 3.36Å; D47-L51 PolarHBondContact O-N 2.94Å; C48-L51 PolarHBondContact O-N 2.88Å; L51-S53 PolarHBondContact O-N 2.9Å; L51-E54 VanDerWaalsContact O-CB 3.24Å; L51-E54 WeakPolarHBondContact O-CB 3.33Å; L51-E54 PolarHBondContact O-N 3.46Å; L51-A82 HydrophobicContact CD2-CB 4.36Å; L51-A82 HydrophobicContact CG-CB 4.36Å; L51-I85 HydrophobicContact CD1-CD1 4.27Å; L51-I85 HydrophobicContact CD2-CB 3.83Å; L51-I85 HydrophobicContact CD2-CD1 3.6Å; L51-I85 HydrophobicContact CD2-CG1 4.31Å; L51-I85 HydrophobicContact CD2-CG2 3.68Å |
| 52 | A | 72 | Confident | 68.4 | Low | 90 Ų | 90 | 59.4 Ų | 59.4 | 74% | 0.744 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -70.4 | -23.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | C48 | C48-A52 WeakPolarHBondContact O-CA 3.28Å; C48-A52 WeakPolarHBondContact O-CB 3.37Å; C48-A52 PolarHBondContact O-N 3.41Å |
| 53 | S | 74.6 | Confident | 69.8 | Low | 12 Ų | 12 | 57.9 Ų | 57.9 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 15 | 177.4 | -40.5 | 0 | 0 | 0 | 0 | 112.2 | Y32 K36 V49 W50 L51 D55 E56 V57 | Y32-S53 WeakPolarHBondContact OH-CB 3.36Å; Y32-S53 PolarHBondContact OH-O 3.28Å; K36-S53 PolarHBondContact NZ-OG 3.31Å; V49-S53 VanDerWaalsContact O-CB 3.28Å; V49-S53 WeakPolarHBondContact O-CB 3.34Å; V49-S53 PolarHBondContact O-N 3.12Å; V49-S53 VanDerWaalsContact O-N 3.09Å; V49-S53 PolarHBondContact O-OG 3.23Å; W50-S53 CarbonylContact O-C 3.58Å; W50-S53 PolarHBondContact O-N 2.9Å; L51-S53 PolarHBondContact O-N 2.9Å; S53-D55 VanDerWaalsContact C-N 3.33Å; S53-D55 PolarHBondContact O-N 3.34Å; S53-E56 CarbonylContact O-C 3.44Å; S53-E56 WeakPolarHBondContact O-CA 3.36Å; S53-E56 VanDerWaalsContact O-CB 3.29Å; S53-E56 WeakPolarHBondContact O-CB 3.21Å; S53-E56 PolarHBondContact O-N 2.89Å; S53-V57 WeakPolarHBondContact O-CG2 3.2Å; S53-V57 PolarHBondContact O-N 2.61Å |
| 54 | E | 79 | Confident | 71.2 | Confident | 27 Ų | 27 | 53.4 Ų | 53.4 | 13% | 0.126 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -52.8 | -49.2 | -174.6 | 179.7 | -172.4 | 118.2 | 0 | 0 | 112 | W50 L51 E56 V57 V58 I85 L86 R89 | W50-E54 PolarHBondContact O-N 2.84Å; L51-E54 VanDerWaalsContact O-CB 3.24Å; L51-E54 WeakPolarHBondContact O-CB 3.33Å; L51-E54 PolarHBondContact O-N 3.46Å; E54-E56 PolarHBondContact O-N 3.37Å; E54-V57 WeakPolarHBondContact O-CB 3.42Å; E54-V57 PolarHBondContact O-N 3.07Å; E54-V57 VanDerWaalsContact O-N 3.12Å; E54-V58 WeakPolarHBondContact O-CG2 3.41Å; E54-V58 PolarHBondContact O-N 3.3Å; E54-I85 WeakPolarHBondContact OE2-CG2 3.46Å; E54-L86 HydrophobicContact CB-CD2 4.17Å; E54-L86 HydrophobicContact CG-CD2 3.98Å; E54-R89 HydrophobicContact CG-CG 4.2Å; E54-R89 WeakPolarHBondContact OE1-CG 3.39Å; E54-R89 IonicContact OE1-CZ 2.84Å; E54-R89 IonicContact OE1-NE 3.85Å; E54-R89 PolarHBondContact OE1-NE 2.87Å; E54-R89 IonicContact OE1-NH2 3.71Å; E54-R89 PolarHBondContact OE1-NH2 2.85Å |
| 55 | D | 81.9 | Confident | 73 | Confident | 105 Ų | 105 | 55.1 Ų | 55.1 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62 | -30.5 | 176.1 | -70.4 | -29.1 | 0 | 0 | 0 | 112.9 | S53 R59 | S53-D55 VanDerWaalsContact C-N 3.33Å; S53-D55 PolarHBondContact O-N 3.34Å; D55-R59 VanDerWaalsContact O-CB 3.29Å; D55-R59 WeakPolarHBondContact O-CB 3.24Å; D55-R59 WeakPolarHBondContact O-CG 3.47Å; D55-R59 PolarHBondContact O-N 3.06Å; D55-R59 PolarHBondContact O-NE 2.89Å; D55-R59 VanDerWaalsContact O-NE 3.11Å |
| 56 | E | 82.2 | Confident | 74.8 | Confident | 79 Ų | 79 | 54.5 Ų | 54.5 | 37% | 0.369 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.3 | -44 | 173.3 | -69 | 176.3 | 179.3 | 0 | 0 | 111.1 | Y32 K36 S53 E54 V58 R59 S60 | Y32-E56 HydrophobicContact CE2-CB 3.97Å; Y32-E56 VanDerWaalsContact OH-CB 3.28Å; Y32-E56 WeakPolarHBondContact OH-CB 3.27Å; K36-E56 IonicContact NZ-OE2 2.61Å; K36-E56 PolarHBondContact NZ-OE2 2.88Å; S53-E56 CarbonylContact O-C 3.44Å; S53-E56 WeakPolarHBondContact O-CA 3.36Å; S53-E56 VanDerWaalsContact O-CB 3.29Å; S53-E56 WeakPolarHBondContact O-CB 3.21Å; S53-E56 PolarHBondContact O-N 2.89Å; E54-E56 PolarHBondContact O-N 3.37Å; E56-V58 VanDerWaalsContact C-N 3.3Å; E56-V58 PolarHBondContact O-N 3.28Å; E56-R59 VanDerWaalsContact CG-NH2 3.32Å; E56-R59 PolarHBondContact O-N 2.8Å; E56-S60 WeakPolarHBondContact O-CB 3.25Å; E56-S60 PolarHBondContact O-N 2.98Å; E56-S60 PolarHBondContact O-OG 3.34Å |
| 57 | V | 80.7 | Confident | 76.5 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.6 | -49 | 176.3 | -172.3 | 0 | 0 | 0 | 0 | 109.9 | F29 Y32 W50 S53 E54 S60 C61 L73 L86 | F29-V57 HydrophobicContact CE2-CG1 3.99Å; F29-V57 HydrophobicContact CZ-CG1 4.36Å; Y32-V57 HydrophobicContact CE1-CB 4.26Å; Y32-V57 HydrophobicContact CE1-CG2 3.88Å; Y32-V57 PolarHBondContact OH-N 2.68Å; W50-V57 HydrophobicContact CE3-CG2 3.78Å; W50-V57 HydrophobicContact CZ3-CG2 3.95Å; S53-V57 WeakPolarHBondContact O-CG2 3.2Å; S53-V57 PolarHBondContact O-N 2.61Å; E54-V57 WeakPolarHBondContact O-CB 3.42Å; E54-V57 PolarHBondContact O-N 3.07Å; E54-V57 VanDerWaalsContact O-N 3.12Å; V57-S60 PolarHBondContact O-N 3.5Å; V57-C61 PolarHBondContact O-N 3.38Å; V57-C61 VanDerWaalsContact O-N 3.15Å; V57-L73 HydrophobicContact CG1-CD1 3.9Å; V57-L73 HydrophobicContact CG1-CD2 3.78Å; V57-L73 HydrophobicContact CG1-CG 4.43Å; V57-L86 HydrophobicContact CB-CD2 3.79Å; V57-L86 HydrophobicContact CG1-CD1 4.41Å; V57-L86 HydrophobicContact CG1-CD2 4.05Å; V57-L86 HydrophobicContact CG2-CD1 4.24Å; V57-L86 HydrophobicContact CG2-CD2 3.57Å |
| 58 | V | 83 | Confident | 77.9 | Confident | 6 Ų | 6 | 53.6 Ų | 53.6 | 4% | 0.036 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.3 | -41 | -177.7 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | E54 E56 C61 R89 L90 Q93 | E54-V58 WeakPolarHBondContact O-CG2 3.41Å; E54-V58 PolarHBondContact O-N 3.3Å; E56-V58 VanDerWaalsContact C-N 3.3Å; E56-V58 PolarHBondContact O-N 3.28Å; V58-C61 WeakPolarHBondContact O-CB 3.43Å; V58-C61 PolarHBondContact O-N 3.44Å; V58-R89 HydrophobicContact CG2-CB 4.08Å; V58-L90 HydrophobicContact CB-CD2 4.35Å; V58-L90 HydrophobicContact CG1-CD2 4.3Å; V58-L90 HydrophobicContact CG2-CD2 4.1Å; V58-L90 HydrophobicContact CG2-CG 4.38Å; V58-Q93 HydrophobicContact CG1-CG 3.93Å; V58-Q93 VanDerWaalsContact CG1-NE2 3.28Å |
| 59 | R | 83.7 | Confident | 79.2 | Confident | 144 Ų | 144 | 50.1 Ų | 50.1 | 54% | 0.543 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 174 | -79.2 | -177.2 | -63.8 | 171.7 | 1.9 | 112.6 | D55 E56 C61 Q62 | D55-R59 VanDerWaalsContact O-CB 3.29Å; D55-R59 WeakPolarHBondContact O-CB 3.24Å; D55-R59 WeakPolarHBondContact O-CG 3.47Å; D55-R59 PolarHBondContact O-N 3.06Å; D55-R59 PolarHBondContact O-NE 2.89Å; D55-R59 VanDerWaalsContact O-NE 3.11Å; E56-R59 VanDerWaalsContact CG-NH2 3.32Å; E56-R59 PolarHBondContact O-N 2.8Å; R59-C61 PolarHBondContact O-N 3.43Å; R59-Q62 VanDerWaalsContact O-CB 3.23Å; R59-Q62 WeakPolarHBondContact O-CB 3.35Å; R59-Q62 VanDerWaalsContact O-CG 3.29Å; R59-Q62 WeakPolarHBondContact O-CG 2.97Å; R59-Q62 PolarHBondContact O-N 3.32Å |
| 60 | S | 79.7 | Confident | 80.2 | Confident | 41 Ų | 41 | 49.4 Ų | 49.4 | 29% | 0.287 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.5 | -18 | 178 | -64.7 | 0 | 0 | 0 | 0 | 113.2 | E56 V57 Q62 | E56-S60 WeakPolarHBondContact O-CB 3.25Å; E56-S60 PolarHBondContact O-N 2.98Å; E56-S60 PolarHBondContact O-OG 3.34Å; V57-S60 PolarHBondContact O-N 3.5Å; S60-Q62 VanDerWaalsContact C-N 3.33Å |
| 61 | C | 81.8 | Confident | 80.7 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -8.1 | 170.2 | -83.5 | 0 | 0 | 0 | 0 | 114.6 | F29 V57 V58 R59 G63 L64 C69 L90 | F29-C61 WeakPolarHBondContact CE2-SG 3.4Å; F29-C61 WeakPolarHBondContact CZ-SG 3.44Å; V57-C61 PolarHBondContact O-N 3.38Å; V57-C61 VanDerWaalsContact O-N 3.15Å; V58-C61 WeakPolarHBondContact O-CB 3.43Å; V58-C61 PolarHBondContact O-N 3.44Å; R59-C61 PolarHBondContact O-N 3.43Å; C61-G63 PolarHBondContact O-N 3.18Å; C61-L64 WeakPolarHBondContact O-CB 3.48Å; C61-L64 PolarHBondContact O-N 2.93Å; C61-L64 VanDerWaalsContact O-N 3.1Å; C61-C69 WeakPolarHBondContact CA-SG 3.22Å; C61-C69 HydrophobicContact CB-CB 4.04Å; C61-C69 WeakPolarHBondContact CB-SG 3.42Å; C61-C69 WeakPolarHBondContact SG-CB 3.23Å; C61-C69 CovalentContact SG-SG 2.03Å; C61-C69 PolarHBondContact SG-SG 3.44Å; C61-L90 HydrophobicContact CB-CD2 3.58Å |
| 62 | Q | 79.8 | Confident | 81.2 | Confident | 101 Ų | 101 | 51.5 Ų | 51.5 | 47% | 0.472 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 132.6 | 178.2 | -66.8 | 179.8 | -4.7 | 0 | 0 | 110.7 | R59 S60 L64 | R59-Q62 VanDerWaalsContact O-CB 3.23Å; R59-Q62 WeakPolarHBondContact O-CB 3.35Å; R59-Q62 VanDerWaalsContact O-CG 3.29Å; R59-Q62 WeakPolarHBondContact O-CG 2.97Å; R59-Q62 PolarHBondContact O-N 3.32Å; S60-Q62 VanDerWaalsContact C-N 3.33Å; Q62-L64 VanDerWaalsContact C-N 3.31Å |
| 63 | G | 77 | Confident | 81.6 | Confident | 46 Ų | 46 | 47.2 Ų | 47.2 | 47% | 0.474 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -3.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | C61 | C61-G63 PolarHBondContact O-N 3.18Š|
| 64 | L | 78.2 | Confident | 81.9 | Confident | 26 Ų | 26 | 49.4 Ų | 49.4 | 14% | 0.136 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -105.3 | 160.3 | 171.1 | -60.7 | 177.5 | 0 | 0 | 0 | 111.5 | K22 H25 L26 F29 C61 Q62 | K22-L64 WeakPolarHBondContact O-CD2 3.44Å; H25-L64 HydrophobicContact CB-CD2 3.8Å; H25-L64 HydrophobicContact CB-CG 3.95Å; L26-L64 HydrophobicContact CB-CD1 4.41Å; L26-L64 HydrophobicContact CB-CD2 3.86Å; L26-L64 HydrophobicContact CD1-CD1 4.18Å; F29-L64 HydrophobicContact CB-CD1 3.8Å; F29-L64 HydrophobicContact CD1-CD1 4.09Å; F29-L64 HydrophobicContact CG-CD1 4.16Å; C61-L64 WeakPolarHBondContact O-CB 3.48Å; C61-L64 PolarHBondContact O-N 2.93Å; C61-L64 VanDerWaalsContact O-N 3.1Å; Q62-L64 VanDerWaalsContact C-N 3.31Å |
| 65 | D | 82.8 | Confident | 81.6 | Confident | 92 Ų | 92 | 51 Ų | 51 | 49% | 0.492 | 27% | 0.265 | S | S | . | . | trans | -71.1 | 136.5 | 167.9 | 178.9 | -94 | 0 | 0 | 0 | 110.2 | D67 T68 C69 | D65-D67 VanDerWaalsContact C-N 3.3Å; D65-D67 PolarHBondContact O-N 3.21Å; D65-D67 WeakPolarHBondContact OD1-CA 3.28Å; D65-D67 VanDerWaalsContact OD1-CB 3.28Å; D65-D67 WeakPolarHBondContact OD1-CB 3.47Å; D65-D67 PolarHBondContact OD1-N 3.15Å; D65-T68 WeakPolarHBondContact O-CB 3.41Å; D65-T68 PolarHBondContact O-N 3.41Å; D65-T68 VanDerWaalsContact O-N 3.15Å; D65-T68 PolarHBondContact OD1-N 3.35Å; D65-C69 PolarHBondContact O-N 2.84Å; D65-C69 VanDerWaalsContact O-N 3.09Å | ||
| 66 | V | 85.7 | Confident | 81.1 | Confident | 23 Ų | 23 | 46.3 Ų | 46.3 | 14% | 0.139 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.4 | -35.4 | -174.6 | 167.4 | 0 | 0 | 0 | 0 | 111.9 | T68 C69 I70 L90 N94 | V66-T68 VanDerWaalsContact C-N 3.29Å; V66-T68 PolarHBondContact O-N 2.86Å; V66-C69 WeakPolarHBondContact O-CB 3.47Å; V66-C69 PolarHBondContact O-N 3.05Å; V66-I70 HydrophobicContact CG1-CD1 3.65Å; V66-I70 HydrophobicContact CG1-CG1 4.2Å; V66-I70 VanDerWaalsContact O-CG1 3.32Å; V66-I70 WeakPolarHBondContact O-CG1 3.3Å; V66-I70 PolarHBondContact O-N 3.39Å; V66-L90 HydrophobicContact CG1-CB 4.15Å; V66-N94 HydrophobicContact CG2-CB 3.97Å; V66-N94 VanDerWaalsContact CG2-ND2 3.27Å; V66-N94 WeakPolarHBondContact CG2-ND2 2.97Å |
| 67 | D | 86.1 | Confident | 80.7 | Confident | 119 Ų | 119 | 42.7 Ų | 42.7 | 64% | 0.636 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -67 | -36.1 | 177.8 | -63.7 | -22.4 | 0 | 0 | 0 | 110.8 | D65 C69 I70 K71 | D65-D67 VanDerWaalsContact C-N 3.3Å; D65-D67 PolarHBondContact O-N 3.21Å; D65-D67 WeakPolarHBondContact OD1-CA 3.28Å; D65-D67 VanDerWaalsContact OD1-CB 3.28Å; D65-D67 WeakPolarHBondContact OD1-CB 3.47Å; D65-D67 PolarHBondContact OD1-N 3.15Å; D67-C69 VanDerWaalsContact C-N 3.35Å; D67-I70 PolarHBondContact O-N 3.09Å; D67-K71 WeakPolarHBondContact O-CB 3.11Å; D67-K71 PolarHBondContact O-N 2.9Å |
| 68 | T | 82.3 | Confident | 80.2 | Confident | 26 Ų | 26 | 46.4 Ų | 46.4 | 16% | 0.16 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 173.3 | -61.8 | 0 | 0 | 0 | 0 | 111.2 | F16 L26 D65 V66 K71 L72 | F16-T68 HydrophobicContact CD1-CG2 3.59Å; F16-T68 HydrophobicContact CE1-CG2 4.07Å; F16-T68 HydrophobicContact CG-CG2 4.22Å; L26-T68 HydrophobicContact CD1-CG2 3.89Å; D65-T68 WeakPolarHBondContact O-CB 3.41Å; D65-T68 PolarHBondContact O-N 3.41Å; D65-T68 VanDerWaalsContact O-N 3.15Å; D65-T68 PolarHBondContact OD1-N 3.35Å; V66-T68 VanDerWaalsContact C-N 3.29Å; V66-T68 PolarHBondContact O-N 2.86Å; T68-K71 PolarHBondContact O-N 3.46Å; T68-L72 PolarHBondContact O-N 3.09Å |
| 69 | C | 84.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 176 | -94.1 | 0 | 0 | 0 | 0 | 112.8 | F29 C61 D65 V66 D67 K71 L72 L73 L90 | F29-C69 HydrophobicContact CE1-CB 4.12Å; F29-C69 VanDerWaalsContact CE1-SG 3.6Å; F29-C69 HydrophobicContact CZ-CB 4.38Å; C61-C69 WeakPolarHBondContact CA-SG 3.22Å; C61-C69 HydrophobicContact CB-CB 4.04Å; C61-C69 WeakPolarHBondContact CB-SG 3.42Å; C61-C69 WeakPolarHBondContact SG-CB 3.23Å; C61-C69 CovalentContact SG-SG 2.03Å; C61-C69 PolarHBondContact SG-SG 3.44Å; D65-C69 PolarHBondContact O-N 2.84Å; D65-C69 VanDerWaalsContact O-N 3.09Å; V66-C69 WeakPolarHBondContact O-CB 3.47Å; V66-C69 PolarHBondContact O-N 3.05Å; D67-C69 VanDerWaalsContact C-N 3.35Å; C69-K71 VanDerWaalsContact C-N 3.31Å; C69-K71 PolarHBondContact O-N 3.38Å; C69-L72 WeakPolarHBondContact O-CB 3.39Å; C69-L72 PolarHBondContact O-N 3Å; C69-L73 WeakPolarHBondContact O-CG 3.24Å; C69-L73 PolarHBondContact O-N 3.1Å; C69-L90 HydrophobicContact CB-CD1 4.06Å |
| 70 | I | 87.3 | Confident | 79.3 | Confident | 30 Ų | 30 | 47.6 Ų | 47.6 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 178.2 | -70.6 | 167.6 | 0 | 0 | 0 | 110.5 | V66 D67 L72 L73 D74 F83 K87 L90 | V66-I70 HydrophobicContact CG1-CD1 3.65Å; V66-I70 HydrophobicContact CG1-CG1 4.2Å; V66-I70 VanDerWaalsContact O-CG1 3.32Å; V66-I70 WeakPolarHBondContact O-CG1 3.3Å; V66-I70 PolarHBondContact O-N 3.39Å; D67-I70 PolarHBondContact O-N 3.09Å; I70-L72 VanDerWaalsContact C-N 3.34Å; I70-L72 PolarHBondContact O-N 3.19Å; I70-L73 PolarHBondContact O-N 3.49Å; I70-D74 PolarHBondContact O-N 2.71Å; I70-F83 HydrophobicContact CG2-CE2 4.29Å; I70-F83 HydrophobicContact CG2-CZ 4.08Å; I70-K87 HydrophobicContact CD1-CG 4.05Å; I70-K87 HydrophobicContact CG1-CG 4.17Å; I70-K87 HydrophobicContact CG2-CD 4.29Å; I70-K87 HydrophobicContact CG2-CG 4.26Å; I70-L90 HydrophobicContact CG1-CD1 4.18Å |
| 71 | K | 83.3 | Confident | 79.3 | Confident | 104 Ų | 104 | 49.9 Ų | 49.9 | 45% | 0.452 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 177.3 | -175.6 | 176.9 | 179.3 | 179.7 | 0 | 111.8 | F16 D67 T68 C69 L73 D74 E75 | F16-K71 HydrophobicContact CE1-CD 4.21Å; F16-K71 HydrophobicContact CZ-CD 4.23Å; D67-K71 WeakPolarHBondContact O-CB 3.11Å; D67-K71 PolarHBondContact O-N 2.9Å; T68-K71 PolarHBondContact O-N 3.46Å; C69-K71 VanDerWaalsContact C-N 3.31Å; C69-K71 PolarHBondContact O-N 3.38Å; K71-L73 VanDerWaalsContact C-N 3.31Å; K71-L73 PolarHBondContact O-N 3.35Å; K71-D74 PolarHBondContact O-N 2.82Å; K71-E75 WeakPolarHBondContact CE-OE1 3.18Å; K71-E75 WeakPolarHBondContact O-CG 3.35Å; K71-E75 PolarHBondContact O-N 3.48Å; K71-E75 VanDerWaalsContact O-N 3.15Å |
| 72 | L | 78.9 | Confident | 79 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 175.9 | -95.7 | 172.9 | 0 | 0 | 0 | 112.4 | L8 L11 L26 F29 T68 C69 I70 N76 | L8-L72 HydrophobicContact CD2-CD2 4.22Å; L11-L72 HydrophobicContact CB-CD2 4.49Å; L11-L72 HydrophobicContact CD1-CD2 3.88Å; L11-L72 HydrophobicContact CD2-CD1 4.38Å; L11-L72 HydrophobicContact CD2-CD2 3.61Å; L11-L72 HydrophobicContact CD2-CG 3.85Å; L11-L72 HydrophobicContact CG-CD2 4.21Å; L26-L72 HydrophobicContact CD1-CD1 3.45Å; L26-L72 VanDerWaalsContact CD1-CD1 3.45Å; F29-L72 HydrophobicContact CD1-CB 4.27Å; F29-L72 HydrophobicContact CD1-CD1 3.54Å; F29-L72 HydrophobicContact CE1-CB 3.68Å; F29-L72 HydrophobicContact CE1-CD1 3.84Å; F29-L72 HydrophobicContact CE1-CG 4.41Å; T68-L72 PolarHBondContact O-N 3.09Å; C69-L72 WeakPolarHBondContact O-CB 3.39Å; C69-L72 PolarHBondContact O-N 3Å; I70-L72 VanDerWaalsContact C-N 3.34Å; I70-L72 PolarHBondContact O-N 3.19Å; L72-N76 PolarHBondContact O-N 2.71Å; L72-N76 PolarHBondContact O-ND2 3.49Å |
| 73 | L | 80 | Confident | 79.2 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.1 | -42.2 | 175.9 | -67.4 | 174.5 | 0 | 0 | 0 | 112.3 | F29 V33 W50 V57 C69 I70 K71 E75 N76 V77 F83 L86 L90 | F29-L73 HydrophobicContact CZ-CD1 4.49Å; F29-L73 HydrophobicContact CZ-CD2 3.88Å; F29-L73 HydrophobicContact CZ-CG 3.97Å; V33-L73 HydrophobicContact CG2-CD2 3.99Å; W50-L73 HydrophobicContact CH2-CD2 4.35Å; W50-L73 HydrophobicContact CZ3-CD2 3.91Å; V57-L73 HydrophobicContact CG1-CD1 3.9Å; V57-L73 HydrophobicContact CG1-CD2 3.78Å; V57-L73 HydrophobicContact CG1-CG 4.43Å; C69-L73 WeakPolarHBondContact O-CG 3.24Å; C69-L73 PolarHBondContact O-N 3.1Å; I70-L73 PolarHBondContact O-N 3.49Å; K71-L73 VanDerWaalsContact C-N 3.31Å; K71-L73 PolarHBondContact O-N 3.35Å; L73-E75 PolarHBondContact O-N 3.46Å; L73-N76 PolarHBondContact O-N 3.46Å; L73-V77 HydrophobicContact CB-CG2 4Å; L73-V77 HydrophobicContact CD2-CG2 3.72Å; L73-V77 HydrophobicContact CG-CG2 4.45Å; L73-V77 VanDerWaalsContact O-CB 3.32Å; L73-V77 WeakPolarHBondContact O-CB 3.48Å; L73-V77 WeakPolarHBondContact O-CG2 3.3Å; L73-V77 PolarHBondContact O-N 3.11Å; L73-F83 HydrophobicContact CB-CD2 4Å; L73-F83 HydrophobicContact CB-CE2 4.09Å; L73-L86 HydrophobicContact CD1-CB 4.01Å; L73-L86 HydrophobicContact CD1-CD1 4.34Å; L73-L86 HydrophobicContact CD2-CD1 4.34Å; L73-L90 HydrophobicContact CD1-CD1 3.53Å |
| 74 | D | 81.4 | Confident | 79.5 | Confident | 57 Ų | 57 | 46.6 Ų | 46.6 | 31% | 0.305 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.6 | -34.1 | 177.6 | 178.9 | 47.1 | 0 | 0 | 0 | 112.2 | K6 I70 K71 N76 R80 F83 | K6-D74 PolarHBondContact NZ-O 3.31Å; I70-D74 PolarHBondContact O-N 2.71Å; K71-D74 PolarHBondContact O-N 2.82Å; D74-N76 VanDerWaalsContact C-N 3.33Å; D74-N76 PolarHBondContact O-N 3.45Å; D74-R80 IonicContact OD1-CZ 3.25Å; D74-R80 VanDerWaalsContact OD1-CZ 3.25Å; D74-R80 IonicContact OD1-NH1 3.91Å; D74-R80 PolarHBondContact OD1-NH1 3.45Å; D74-R80 IonicContact OD1-NH2 2.93Å; D74-R80 PolarHBondContact OD1-NH2 2.96Å; D74-F83 VanDerWaalsContact CA-CE2 3.49Å; D74-F83 HydrophobicContact CB-CD2 4.33Å; D74-F83 HydrophobicContact CB-CE2 3.59Å; D74-F83 HydrophobicContact CB-CZ 3.82Å; D74-F83 VanDerWaalsContact N-CE2 3.33Å |
| 75 | E | 74.1 | Confident | 79.8 | Confident | 60 Ų | 60 | 48.2 Ų | 48.2 | 28% | 0.28 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -76.4 | -15 | 177.6 | -70.4 | -175.7 | -155.7 | 0 | 0 | 113.8 | K6 L11 K71 L73 | K6-E75 VanDerWaalsContact CB-O 3.22Å; K6-E75 WeakPolarHBondContact CB-O 3.42Å; K6-E75 WeakPolarHBondContact CD-O 3.37Å; L11-E75 WeakPolarHBondContact CD1-OE2 3.46Å; K71-E75 WeakPolarHBondContact CE-OE1 3.18Å; K71-E75 WeakPolarHBondContact O-CG 3.35Å; K71-E75 PolarHBondContact O-N 3.48Å; K71-E75 VanDerWaalsContact O-N 3.15Å; L73-E75 PolarHBondContact O-N 3.46Å |
| 76 | N | 70.5 | Confident | 79.9 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.043 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -132.7 | -22.5 | -169.4 | -68.2 | -68.6 | 0 | 0 | 0 | 116 | L8 V33 S37 L72 L73 D74 A78 | L8-N76 WeakPolarHBondContact CD2-ND2 3.34Å; L8-N76 WeakPolarHBondContact CD2-OD1 2.95Å; L8-N76 WeakPolarHBondContact CG-OD1 3.32Å; V33-N76 HydrophobicContact CG1-CB 3.17Å; S37-N76 PolarHBondContact OG-O 3.14Å; L72-N76 PolarHBondContact O-N 2.71Å; L72-N76 PolarHBondContact O-ND2 3.49Å; L73-N76 PolarHBondContact O-N 3.46Å; D74-N76 VanDerWaalsContact C-N 3.33Å; D74-N76 PolarHBondContact O-N 3.45Å; N76-A78 PolarHBondContact O-N 2.65Å |
| 77 | V | 73.3 | Confident | 80.1 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | trans | -89.7 | 96.3 | 175.2 | -173.2 | 0 | 0 | 0 | 0 | 107.7 | W50 L73 N79 A82 F83 L86 | W50-V77 HydrophobicContact CD2-CG1 4.27Å; W50-V77 HydrophobicContact CD2-CG2 3.88Å; W50-V77 HydrophobicContact CE3-CG2 4.03Å; W50-V77 HydrophobicContact CG-CG1 4.1Å; W50-V77 HydrophobicContact CH2-CG2 3.93Å; W50-V77 HydrophobicContact CZ2-CG2 3.81Å; W50-V77 HydrophobicContact CZ3-CG2 4.05Å; L73-V77 HydrophobicContact CB-CG2 4Å; L73-V77 HydrophobicContact CD2-CG2 3.72Å; L73-V77 HydrophobicContact CG-CG2 4.45Å; L73-V77 VanDerWaalsContact O-CB 3.32Å; L73-V77 WeakPolarHBondContact O-CB 3.48Å; L73-V77 WeakPolarHBondContact O-CG2 3.3Å; L73-V77 PolarHBondContact O-N 3.11Å; V77-N79 WeakPolarHBondContact CG1-O 3.43Å; V77-N79 PolarHBondContact O-N 3Å; V77-A82 HydrophobicContact CG1-CB 4.06Å; V77-F83 HydrophobicContact CB-CB 4.29Å; V77-F83 HydrophobicContact CG1-CB 4.08Å; V77-L86 HydrophobicContact CG2-CD1 4.21Å | ||
| 78 | A | 70.2 | Confident | 80.3 | Confident | 77 Ų | 77 | 44.3 Ų | 44.3 | 64% | 0.636 | 23% | 0.228 | S | C | * | . | trans | -66.3 | -27.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N76 R80 | N76-A78 PolarHBondContact O-N 2.65Å; A78-R80 PolarHBondContact O-N 3.42Å | ||
| 79 | N | 71.5 | Confident | 80.5 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 25% | 0.251 | 24% | 0.24 | S | C | . | . | trans | -80.9 | 115.6 | 178.8 | -171.8 | -64.1 | 0 | 0 | 0 | 110.9 | D47 V77 V81 A82 F83 | D47-N79 VanDerWaalsContact OD1-CG 3.26Å; D47-N79 PolarHBondContact OD1-ND2 3.42Å; D47-N79 PolarHBondContact OD1-OD1 3.15Å; V77-N79 WeakPolarHBondContact CG1-O 3.43Å; V77-N79 PolarHBondContact O-N 3Å; N79-V81 PolarHBondContact O-N 2.76Å; N79-V81 WeakPolarHBondContact OD1-CB 3.48Å; N79-V81 PolarHBondContact OD1-N 2.97Å; N79-A82 HydrophobicContact CB-CB 4.03Å; N79-A82 PolarHBondContact O-N 3.46Å; N79-A82 PolarHBondContact OD1-N 2.97Å; N79-F83 WeakPolarHBondContact O-CB 3.46Å; N79-F83 PolarHBondContact O-N 2.76Å | ||
| 80 | R | 77.7 | Confident | 80.7 | Confident | 128 Ų | 128 | 48.4 Ų | 48.4 | 48% | 0.483 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.9 | -32.3 | -176.4 | -72.5 | -67.5 | 177.9 | -164.3 | -1.8 | 114.1 | D74 A78 F83 E84 | D74-R80 IonicContact OD1-CZ 3.25Å; D74-R80 VanDerWaalsContact OD1-CZ 3.25Å; D74-R80 IonicContact OD1-NH1 3.91Å; D74-R80 PolarHBondContact OD1-NH1 3.45Å; D74-R80 IonicContact OD1-NH2 2.93Å; D74-R80 PolarHBondContact OD1-NH2 2.96Å; A78-R80 PolarHBondContact O-N 3.42Å; R80-F83 PolarHBondContact O-N 2.74Å; R80-E84 WeakPolarHBondContact O-CG 3.44Å; R80-E84 PolarHBondContact O-N 3.4Å |
| 81 | V | 78.9 | Confident | 80.7 | Confident | 90 Ų | 90 | 49.8 Ų | 49.8 | 55% | 0.545 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.8 | -47.3 | 177 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | N79 F83 E84 I85 | N79-V81 PolarHBondContact O-N 2.76Å; N79-V81 WeakPolarHBondContact OD1-CB 3.48Å; N79-V81 PolarHBondContact OD1-N 2.97Å; V81-F83 VanDerWaalsContact C-N 3.31Å; V81-F83 PolarHBondContact O-N 3Å; V81-E84 PolarHBondContact O-N 3.49Å; V81-I85 HydrophobicContact CG1-CD1 3.96Å; V81-I85 WeakPolarHBondContact O-CG1 3.32Å; V81-I85 PolarHBondContact O-N 3.35Å; V81-I85 VanDerWaalsContact O-N 3.09Å |
| 82 | A | 75.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | W50 L51 V77 N79 I85 L86 | W50-A82 HydrophobicContact CB-CB 3.86Å; L51-A82 HydrophobicContact CD2-CB 4.36Å; L51-A82 HydrophobicContact CG-CB 4.36Å; V77-A82 HydrophobicContact CG1-CB 4.06Å; N79-A82 HydrophobicContact CB-CB 4.03Å; N79-A82 PolarHBondContact O-N 3.46Å; N79-A82 PolarHBondContact OD1-N 2.97Å; A82-I85 PolarHBondContact O-N 3.45Å; A82-L86 WeakPolarHBondContact O-CB 2.88Å; A82-L86 WeakPolarHBondContact O-CG 3.02Å; A82-L86 PolarHBondContact O-N 2.93Å |
| 83 | F | 82.9 | Confident | 80.7 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.1 | -50.2 | 175.9 | 170.1 | -100.8 | 0 | 0 | 0 | 112.5 | I70 L73 D74 V77 N79 R80 V81 I85 L86 K87 | I70-F83 HydrophobicContact CG2-CE2 4.29Å; I70-F83 HydrophobicContact CG2-CZ 4.08Å; L73-F83 HydrophobicContact CB-CD2 4Å; L73-F83 HydrophobicContact CB-CE2 4.09Å; D74-F83 VanDerWaalsContact CA-CE2 3.49Å; D74-F83 HydrophobicContact CB-CD2 4.33Å; D74-F83 HydrophobicContact CB-CE2 3.59Å; D74-F83 HydrophobicContact CB-CZ 3.82Å; D74-F83 VanDerWaalsContact N-CE2 3.33Å; V77-F83 HydrophobicContact CB-CB 4.29Å; V77-F83 HydrophobicContact CG1-CB 4.08Å; N79-F83 WeakPolarHBondContact O-CB 3.46Å; N79-F83 PolarHBondContact O-N 2.76Å; R80-F83 PolarHBondContact O-N 2.74Å; V81-F83 VanDerWaalsContact C-N 3.31Å; V81-F83 PolarHBondContact O-N 3Å; F83-I85 VanDerWaalsContact C-N 3.35Å; F83-I85 PolarHBondContact O-N 3.02Å; F83-L86 PolarHBondContact O-N 3.17Å; F83-K87 HydrophobicContact CE1-CD 3.85Å; F83-K87 HydrophobicContact CZ-CD 3.86Å; F83-K87 VanDerWaalsContact O-CB 3.23Å; F83-K87 WeakPolarHBondContact O-CB 3.38Å; F83-K87 PolarHBondContact O-N 2.81Å |
| 84 | E | 84.3 | Confident | 80.2 | Confident | 77 Ų | 77 | 57.5 Ų | 57.5 | 36% | 0.36 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | -179.3 | -66.8 | -57.9 | 147.9 | 0 | 0 | 111.5 | R80 V81 L86 K87 D88 | R80-E84 WeakPolarHBondContact O-CG 3.44Å; R80-E84 PolarHBondContact O-N 3.4Å; V81-E84 PolarHBondContact O-N 3.49Å; E84-L86 PolarHBondContact O-N 3.49Å; E84-K87 PolarHBondContact O-N 3.44Å; E84-K87 IonicContact OE1-NZ 2.77Å; E84-K87 IonicContact OE2-NZ 2.64Å; E84-K87 PolarHBondContact OE2-NZ 3.24Å; E84-D88 WeakPolarHBondContact O-CB 3.11Å; E84-D88 VanDerWaalsContact O-CG 3.31Å; E84-D88 PolarHBondContact O-N 3.23Å |
| 85 | I | 84.7 | Confident | 79.3 | Confident | 59 Ų | 59 | 59.1 Ų | 59.1 | 30% | 0.303 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 175.8 | -68.1 | 166.3 | 0 | 0 | 0 | 111.2 | L51 E54 V81 A82 F83 K87 D88 R89 | L51-I85 HydrophobicContact CD1-CD1 4.27Å; L51-I85 HydrophobicContact CD2-CB 3.83Å; L51-I85 HydrophobicContact CD2-CD1 3.6Å; L51-I85 HydrophobicContact CD2-CG1 4.31Å; L51-I85 HydrophobicContact CD2-CG2 3.68Å; E54-I85 WeakPolarHBondContact OE2-CG2 3.46Å; V81-I85 HydrophobicContact CG1-CD1 3.96Å; V81-I85 WeakPolarHBondContact O-CG1 3.32Å; V81-I85 PolarHBondContact O-N 3.35Å; V81-I85 VanDerWaalsContact O-N 3.09Å; A82-I85 PolarHBondContact O-N 3.45Å; F83-I85 VanDerWaalsContact C-N 3.35Å; F83-I85 PolarHBondContact O-N 3.02Å; I85-K87 VanDerWaalsContact C-N 3.32Å; I85-K87 PolarHBondContact O-N 2.93Å; I85-D88 PolarHBondContact O-N 2.64Å; I85-R89 VanDerWaalsContact O-CG 3.29Å; I85-R89 WeakPolarHBondContact O-CG 3.46Å; I85-R89 PolarHBondContact O-N 3.28Å |
| 86 | L | 84.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.1 | -41 | 178 | -71 | 172.2 | 0 | 0 | 0 | 112 | W50 E54 V57 L73 V77 A82 F83 E84 R89 L90 | W50-L86 HydrophobicContact CB-CD1 4.12Å; W50-L86 HydrophobicContact CD2-CD1 4.22Å; W50-L86 HydrophobicContact CE3-CD1 3.7Å; W50-L86 HydrophobicContact CG-CD1 4.42Å; W50-L86 HydrophobicContact CZ3-CD1 4.47Å; E54-L86 HydrophobicContact CB-CD2 4.17Å; E54-L86 HydrophobicContact CG-CD2 3.98Å; V57-L86 HydrophobicContact CB-CD2 3.79Å; V57-L86 HydrophobicContact CG1-CD1 4.41Å; V57-L86 HydrophobicContact CG1-CD2 4.05Å; V57-L86 HydrophobicContact CG2-CD1 4.24Å; V57-L86 HydrophobicContact CG2-CD2 3.57Å; L73-L86 HydrophobicContact CD1-CB 4.01Å; L73-L86 HydrophobicContact CD1-CD1 4.34Å; L73-L86 HydrophobicContact CD2-CD1 4.34Å; V77-L86 HydrophobicContact CG2-CD1 4.21Å; A82-L86 WeakPolarHBondContact O-CB 2.88Å; A82-L86 WeakPolarHBondContact O-CG 3.02Å; A82-L86 PolarHBondContact O-N 2.93Å; F83-L86 PolarHBondContact O-N 3.17Å; E84-L86 PolarHBondContact O-N 3.49Å; L86-R89 PolarHBondContact O-N 3.32Å; L86-L90 WeakPolarHBondContact O-CB 3.47Å; L86-L90 VanDerWaalsContact O-CG 3.31Å; L86-L90 WeakPolarHBondContact O-CG 2.92Å; L86-L90 PolarHBondContact O-N 2.64Å |
| 87 | K | 89.6 | Confident | 77.6 | Confident | 64 Ų | 64 | 67.6 Ų | 67.6 | 28% | 0.278 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 177.8 | 174.2 | -176.6 | 154.6 | -148.6 | 0 | 111.8 | I70 F83 E84 I85 R89 L90 T91 | I70-K87 HydrophobicContact CD1-CG 4.05Å; I70-K87 HydrophobicContact CG1-CG 4.17Å; I70-K87 HydrophobicContact CG2-CD 4.29Å; I70-K87 HydrophobicContact CG2-CG 4.26Å; F83-K87 HydrophobicContact CE1-CD 3.85Å; F83-K87 HydrophobicContact CZ-CD 3.86Å; F83-K87 VanDerWaalsContact O-CB 3.23Å; F83-K87 WeakPolarHBondContact O-CB 3.38Å; F83-K87 PolarHBondContact O-N 2.81Å; E84-K87 PolarHBondContact O-N 3.44Å; E84-K87 IonicContact OE1-NZ 2.77Å; E84-K87 IonicContact OE2-NZ 2.64Å; E84-K87 PolarHBondContact OE2-NZ 3.24Å; I85-K87 VanDerWaalsContact C-N 3.32Å; I85-K87 PolarHBondContact O-N 2.93Å; K87-R89 VanDerWaalsContact C-N 3.32Å; K87-R89 PolarHBondContact O-N 3.47Å; K87-L90 PolarHBondContact O-N 3.37Å; K87-T91 WeakPolarHBondContact O-CB 3.22Å; K87-T91 PolarHBondContact O-N 3.45Å; K87-T91 PolarHBondContact O-OG1 3.07Å |
| 88 | D | 90.4 | Very high | 76.4 | Confident | 88 Ų | 88 | 70.5 Ų | 70.5 | 47% | 0.471 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 176 | -74.9 | -13.2 | 0 | 0 | 0 | 110.2 | E84 I85 L90 T91 E92 | E84-D88 WeakPolarHBondContact O-CB 3.11Å; E84-D88 VanDerWaalsContact O-CG 3.31Å; E84-D88 PolarHBondContact O-N 3.23Å; I85-D88 PolarHBondContact O-N 2.64Å; D88-L90 PolarHBondContact O-N 3.31Å; D88-T91 WeakPolarHBondContact O-CB 3.46Å; D88-T91 PolarHBondContact O-N 2.01Å; D88-T91 VanDerWaalsContact O-N 3.14Å; D88-E92 WeakPolarHBondContact O-CG 3.17Å; D88-E92 PolarHBondContact O-N 2.8Å |
| 89 | R | 87.2 | Confident | 75.1 | Confident | 108 Ų | 108 | 76.9 Ų | 76.9 | 41% | 0.408 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 178.4 | -69.4 | -65.9 | -134 | 155.6 | 22.7 | 114.1 | E54 V58 I85 L86 K87 T91 E92 Q93 | E54-R89 HydrophobicContact CG-CG 4.2Å; E54-R89 WeakPolarHBondContact OE1-CG 3.39Å; E54-R89 IonicContact OE1-CZ 2.84Å; E54-R89 IonicContact OE1-NE 3.85Å; E54-R89 PolarHBondContact OE1-NE 2.87Å; E54-R89 IonicContact OE1-NH2 3.71Å; E54-R89 PolarHBondContact OE1-NH2 2.85Å; V58-R89 HydrophobicContact CG2-CB 4.08Å; I85-R89 VanDerWaalsContact O-CG 3.29Å; I85-R89 WeakPolarHBondContact O-CG 3.46Å; I85-R89 PolarHBondContact O-N 3.28Å; L86-R89 PolarHBondContact O-N 3.32Å; K87-R89 VanDerWaalsContact C-N 3.32Å; K87-R89 PolarHBondContact O-N 3.47Å; R89-T91 VanDerWaalsContact C-N 3.27Å; R89-T91 PolarHBondContact O-N 2.89Å; R89-E92 WeakPolarHBondContact CD-OE2 3.12Å; R89-E92 IonicContact NH1-OE2 3.1Å; R89-E92 PolarHBondContact O-N 3.09Å; R89-Q93 PolarHBondContact O-N 2.96Å; R89-Q93 VanDerWaalsContact O-N 3.07Å |
| 90 | L | 87 | Confident | 75.3 | Confident | 5 Ų | 5 | 78.4 Ų | 78.4 | 3% | 0.026 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.9 | -39 | 173.7 | -75.8 | 173.1 | 0 | 0 | 0 | 111.4 | V58 C61 V66 C69 I70 L73 L86 K87 D88 N94 | V58-L90 HydrophobicContact CB-CD2 4.35Å; V58-L90 HydrophobicContact CG1-CD2 4.3Å; V58-L90 HydrophobicContact CG2-CD2 4.1Å; V58-L90 HydrophobicContact CG2-CG 4.38Å; C61-L90 HydrophobicContact CB-CD2 3.58Å; V66-L90 HydrophobicContact CG1-CB 4.15Å; C69-L90 HydrophobicContact CB-CD1 4.06Å; I70-L90 HydrophobicContact CG1-CD1 4.18Å; L73-L90 HydrophobicContact CD1-CD1 3.53Å; L86-L90 WeakPolarHBondContact O-CB 3.47Å; L86-L90 VanDerWaalsContact O-CG 3.31Å; L86-L90 WeakPolarHBondContact O-CG 2.92Å; L86-L90 PolarHBondContact O-N 2.64Å; K87-L90 PolarHBondContact O-N 3.37Å; D88-L90 PolarHBondContact O-N 3.31Å; L90-N94 PolarHBondContact O-N 3.36Å |
| 91 | T | 87.7 | Confident | 75.2 | Confident | 59 Ų | 59 | 75.7 Ų | 75.7 | 36% | 0.362 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.9 | -44.4 | 178.1 | -53.4 | 0 | 0 | 0 | 0 | 111.1 | K87 D88 R89 Q93 N94 T95 | K87-T91 WeakPolarHBondContact O-CB 3.22Å; K87-T91 PolarHBondContact O-N 3.45Å; K87-T91 PolarHBondContact O-OG1 3.07Å; D88-T91 WeakPolarHBondContact O-CB 3.46Å; D88-T91 PolarHBondContact O-N 2.01Å; D88-T91 VanDerWaalsContact O-N 3.14Å; R89-T91 VanDerWaalsContact C-N 3.27Å; R89-T91 PolarHBondContact O-N 2.89Å; T91-Q93 PolarHBondContact O-N 3.47Å; T91-N94 PolarHBondContact O-N 3.38Å; T91-N94 VanDerWaalsContact O-N 3.17Å; T91-T95 PolarHBondContact O-N 3.46Å; T91-T95 PolarHBondContact O-OG1 2.87Å |
| 92 | E | 85 | Confident | 75 | Confident | 97 Ų | 97 | 74.9 Ų | 74.9 | 45% | 0.453 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 177.1 | -76 | 178 | 174.4 | 0 | 0 | 112.9 | D88 R89 N94 T95 S96 | D88-E92 WeakPolarHBondContact O-CG 3.17Å; D88-E92 PolarHBondContact O-N 2.8Å; R89-E92 WeakPolarHBondContact CD-OE2 3.12Å; R89-E92 IonicContact NH1-OE2 3.1Å; R89-E92 PolarHBondContact O-N 3.09Å; E92-N94 VanDerWaalsContact C-N 3.3Å; E92-N94 PolarHBondContact O-N 3.33Å; E92-T95 WeakPolarHBondContact CA-OG1 3.46Å; E92-T95 PolarHBondContact O-OG1 2.61Å; E92-S96 VanDerWaalsContact O-CB 3.25Å; E92-S96 WeakPolarHBondContact O-CB 3.02Å; E92-S96 PolarHBondContact O-N 3.38Å; E92-S96 PolarHBondContact O-OG 3.44Å |
| 93 | Q | 76.8 | Confident | 74.9 | Confident | 85 Ų | 85 | 79.4 Ų | 79.4 | 40% | 0.397 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.8 | -30.5 | 176.7 | -77.4 | -151 | 0.4 | 0 | 0 | 112.9 | V58 R89 T91 K97 | V58-Q93 HydrophobicContact CG1-CG 3.93Å; V58-Q93 VanDerWaalsContact CG1-NE2 3.28Å; R89-Q93 PolarHBondContact O-N 2.96Å; R89-Q93 VanDerWaalsContact O-N 3.07Å; T91-Q93 PolarHBondContact O-N 3.47Å; Q93-K97 PolarHBondContact O-N 2.7Å |
| 94 | N | 69.7 | Low | 74.4 | Confident | 84 Ų | 84 | 83.6 Ų | 83.6 | 45% | 0.449 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -74.5 | -44.5 | 176.9 | -158.3 | -14.9 | 0 | 0 | 0 | 111.2 | V66 L90 T91 E92 S96 K97 G98 | V66-N94 HydrophobicContact CG2-CB 3.97Å; V66-N94 VanDerWaalsContact CG2-ND2 3.27Å; V66-N94 WeakPolarHBondContact CG2-ND2 2.97Å; L90-N94 PolarHBondContact O-N 3.36Å; T91-N94 PolarHBondContact O-N 3.38Å; T91-N94 VanDerWaalsContact O-N 3.17Å; E92-N94 VanDerWaalsContact C-N 3.3Å; E92-N94 PolarHBondContact O-N 3.33Å; N94-S96 VanDerWaalsContact C-N 3.29Å; N94-S96 PolarHBondContact O-N 3.23Å; N94-K97 PolarHBondContact O-N 2.02Å; N94-G98 PolarHBondContact O-N 3.11Å |
| 95 | T | 62.4 | Low | 73.8 | Confident | 91 Ų | 91 | 84.1 Ų | 84.1 | 56% | 0.558 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.5 | -35.6 | 175.5 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | T91 E92 K97 G98 | T91-T95 PolarHBondContact O-N 3.46Å; T91-T95 PolarHBondContact O-OG1 2.87Å; E92-T95 WeakPolarHBondContact CA-OG1 3.46Å; E92-T95 PolarHBondContact O-OG1 2.61Å; T95-K97 VanDerWaalsContact C-N 3.3Å; T95-K97 PolarHBondContact O-N 2.87Å; T95-G98 PolarHBondContact O-N 3.21Å; T95-G98 VanDerWaalsContact O-N 3.09Å |
| 96 | S | 57.8 | Low | 73 | Confident | 86 Ų | 86 | 85.9 Ų | 85.9 | 60% | 0.601 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -67.5 | -26.1 | 176.4 | -60.6 | 0 | 0 | 0 | 0 | 113.8 | E92 N94 G98 | E92-S96 VanDerWaalsContact O-CB 3.25Å; E92-S96 WeakPolarHBondContact O-CB 3.02Å; E92-S96 PolarHBondContact O-N 3.38Å; E92-S96 PolarHBondContact O-OG 3.44Å; N94-S96 VanDerWaalsContact C-N 3.29Å; N94-S96 PolarHBondContact O-N 3.23Å; S96-G98 VanDerWaalsContact C-N 3.29Å |
| 97 | K | 51.5 | Low | 72.1 | Confident | 161 Ų | 161 | 92.5 Ų | 92.5 | 70% | 0.7 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -13.1 | 172.7 | -83.5 | -178.3 | 177.6 | 175.3 | 0 | 113.3 | Q93 N94 T95 | Q93-K97 PolarHBondContact O-N 2.7Å; N94-K97 PolarHBondContact O-N 2.02Å; T95-K97 VanDerWaalsContact C-N 3.3Å; T95-K97 PolarHBondContact O-N 2.87Å |
| 98 | G | 49.5 | Very low | 70.6 | Confident | 64 Ų | 64 | 94.8 Ų | 94.8 | 66% | 0.66 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -4.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | N94 T95 S96 | N94-G98 PolarHBondContact O-N 3.11Å; T95-G98 PolarHBondContact O-N 3.21Å; T95-G98 VanDerWaalsContact O-N 3.09Å; S96-G98 VanDerWaalsContact C-N 3.29Å |
| 99 | N | 42.6 | Very low | 68.8 | Low | 210 Ų | 210 | 95.5 Ų | 95.5 | 100% | 1.123 | 52% | 0.522 | S | S | * | . | trans | -107.2 | 0 | 175.2 | -82.9 | -14.9 | 0 | 0 | 0 | 111.4 |
Retrieved 99 of 99 residues in 53.6 ms
(Link to these results)