| 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 | 47.6 | Very low | 66.6 | Low | 235 Ų | 235 | 117.8 Ų | 117.8 | 100% | 1.158 | 62% | 0.623 | S | S | * | * | 0 | 109.3 | 0 | -59.9 | 178.8 | -167.4 | 0 | 0 | 107.5 | N3 | M1-N3 PolarHBondContact O-N 2.98Š| |||
| 2 | T | 50 | Low | 67.7 | Low | 116 Ų | 116 | 113.3 Ų | 113.3 | 71% | 0.712 | 60% | 0.603 | S | S | * | * | trans | -86.3 | 102.9 | 179.5 | 39.4 | 0 | 0 | 0 | 0 | 108.9 | V4 | T2-V4 PolarHBondContact O-N 3.48Š| ||
| 3 | N | 60.5 | Low | 68.7 | Low | 104 Ų | 104 | 115.9 Ų | 115.9 | 56% | 0.556 | 61% | 0.606 | S | S | * | * | trans | -69.8 | 121.9 | 176.4 | -119.8 | 38.9 | 0 | 0 | 0 | 109.1 | M1 Y5 S6 | M1-N3 PolarHBondContact O-N 2.98Å; N3-Y5 PolarHBondContact O-N 3.33Å; N3-Y5 VanDerWaalsContact O-N 3.11Å; N3-S6 PolarHBondContact O-N 2.95Å | ||
| 4 | V | 58.9 | Low | 69.7 | Low | 103 Ų | 103 | 110.1 Ų | 110.1 | 62% | 0.624 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -22.8 | 174.2 | 164.9 | 0 | 0 | 0 | 0 | 111.9 | T2 S6 I10 | T2-V4 PolarHBondContact O-N 3.48Å; V4-S6 VanDerWaalsContact C-N 3.31Å; V4-S6 PolarHBondContact O-N 3.48Å; V4-I10 WeakPolarHBondContact O-CG1 3.43Å |
| 5 | Y | 55.5 | Low | 70.4 | Confident | 209 Ų | 209 | 103.9 Ų | 103.9 | 82% | 0.82 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -5.5 | 178.2 | -71.6 | -84 | 0 | 0 | 0 | 114.9 | N3 | N3-Y5 PolarHBondContact O-N 3.33Å; N3-Y5 VanDerWaalsContact O-N 3.11Å |
| 6 | S | 70.4 | Confident | 71.1 | Confident | 59 Ų | 59 | 104.4 Ų | 104.4 | 41% | 0.413 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -83.5 | 141.7 | 172.5 | -63.3 | 0 | 0 | 0 | 0 | 109.9 | N3 V4 D8 G9 I10 | N3-S6 PolarHBondContact O-N 2.95Å; V4-S6 VanDerWaalsContact C-N 3.31Å; V4-S6 PolarHBondContact O-N 3.48Å; S6-D8 PolarHBondContact O-N 3.33Å; S6-D8 VanDerWaalsContact O-N 3.08Å; S6-G9 PolarHBondContact O-N 2.86Å; S6-I10 PolarHBondContact O-N 3.31Å |
| 7 | L | 76.4 | Confident | 71.6 | Confident | 144 Ų | 144 | 104.8 Ų | 104.8 | 75% | 0.754 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -49.2 | -39.3 | -178 | -59.9 | 169.1 | 0 | 0 | 0 | 111.9 | G9 I10 L11 | L7-G9 PolarHBondContact O-N 3.5Å; L7-I10 PolarHBondContact O-N 2.86Å; L7-L11 WeakPolarHBondContact O-CD1 3.32Å; L7-L11 PolarHBondContact O-N 3.45Å; L7-L11 VanDerWaalsContact O-N 3.08Å |
| 8 | D | 76.4 | Confident | 71.9 | Confident | 99 Ų | 99 | 101.5 Ų | 101.5 | 53% | 0.529 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 174.3 | -69.8 | -72.5 | 0 | 0 | 0 | 113.9 | S6 I10 L11 V12 M66 | S6-D8 PolarHBondContact O-N 3.33Å; S6-D8 VanDerWaalsContact O-N 3.08Å; D8-I10 PolarHBondContact O-N 3.21Å; D8-L11 PolarHBondContact O-N 2.98Å; D8-V12 WeakPolarHBondContact O-CG2 3.38Å; D8-V12 PolarHBondContact O-N 3.34Å; D8-M66 HydrophobicContact CB-CE 4.01Å; D8-M66 WeakPolarHBondContact O-CE 3.26Å |
| 9 | G | 75.9 | Confident | 72.3 | Confident | 21 Ų | 21 | 98.3 Ų | 98.3 | 22% | 0.216 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -64 | -42.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S6 L7 V12 F13 | S6-G9 PolarHBondContact O-N 2.86Å; L7-G9 PolarHBondContact O-N 3.5Å; G9-V12 PolarHBondContact O-N 3.19Å; G9-F13 WeakPolarHBondContact O-CB 3.29Å; G9-F13 PolarHBondContact O-N 3.39Å |
| 10 | I | 81.5 | Confident | 72.6 | Confident | 107 Ų | 107 | 96.8 Ų | 96.8 | 55% | 0.549 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 175.1 | -71.3 | 167.7 | 0 | 0 | 0 | 110.8 | V4 S6 L7 D8 F13 G14 | V4-I10 WeakPolarHBondContact O-CG1 3.43Å; S6-I10 PolarHBondContact O-N 3.31Å; L7-I10 PolarHBondContact O-N 2.86Å; D8-I10 PolarHBondContact O-N 3.21Å; I10-F13 PolarHBondContact O-N 3.29Å; I10-G14 PolarHBondContact O-N 2.88Å |
| 11 | L | 79.8 | Confident | 72.5 | Confident | 99 Ų | 99 | 92.8 Ų | 92.8 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -48 | 174.6 | -99.1 | 98.4 | 0 | 0 | 0 | 111.7 | L7 D8 F13 G14 L15 M66 | L7-L11 WeakPolarHBondContact O-CD1 3.32Å; L7-L11 PolarHBondContact O-N 3.45Å; L7-L11 VanDerWaalsContact O-N 3.08Å; D8-L11 PolarHBondContact O-N 2.98Å; L11-F13 VanDerWaalsContact C-N 3.34Å; L11-F13 PolarHBondContact O-N 3.42Å; L11-G14 PolarHBondContact O-N 3.09Å; L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 WeakPolarHBondContact O-CD1 3.32Å; L11-L15 VanDerWaalsContact O-CG 3.3Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 2.96Å; L11-M66 HydrophobicContact CB-CE 3.75Å |
| 12 | V | 80 | Confident | 73.7 | Confident | 64 Ų | 64 | 82 Ų | 82 | 39% | 0.388 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 177.6 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | D8 G9 G14 L15 L16 M66 | D8-V12 WeakPolarHBondContact O-CG2 3.38Å; D8-V12 PolarHBondContact O-N 3.34Å; G9-V12 PolarHBondContact O-N 3.19Å; V12-G14 VanDerWaalsContact C-N 3.34Å; V12-G14 PolarHBondContact O-N 2.94Å; V12-L15 PolarHBondContact O-N 3.28Å; V12-L16 WeakPolarHBondContact O-CB 3.26Å; V12-L16 PolarHBondContact O-N 3.43Å; V12-M66 HydrophobicContact CG2-CE 3.61Å; V12-M66 HydrophobicContact CG2-CG 4.47Å; V12-M66 HydrophobicContact CG2-SD 3.25Å; V12-M66 WeakPolarHBondContact CG2-SD 3.4Å |
| 13 | F | 80.7 | Confident | 74.8 | Confident | 147 Ų | 147 | 84.4 Ų | 84.4 | 65% | 0.645 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.9 | -42 | 179.7 | -161 | -93.2 | 0 | 0 | 0 | 111.6 | G9 I10 L11 L16 F17 | G9-F13 WeakPolarHBondContact O-CB 3.29Å; G9-F13 PolarHBondContact O-N 3.39Å; I10-F13 PolarHBondContact O-N 3.29Å; L11-F13 VanDerWaalsContact C-N 3.34Å; L11-F13 PolarHBondContact O-N 3.42Å; F13-L16 PolarHBondContact O-N 2.98Å; F13-F17 VanDerWaalsContact O-CB 3.32Å; F13-F17 WeakPolarHBondContact O-CB 3.39Å; F13-F17 PolarHBondContact O-N 3Å |
| 14 | G | 82.5 | Confident | 75.3 | Confident | 34 Ų | 34 | 83.9 Ų | 83.9 | 35% | 0.351 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I10 L11 V12 F17 V18 | I10-G14 PolarHBondContact O-N 2.88Å; L11-G14 PolarHBondContact O-N 3.09Å; V12-G14 VanDerWaalsContact C-N 3.34Å; V12-G14 PolarHBondContact O-N 2.94Å; G14-F17 PolarHBondContact O-N 3.4Å; G14-V18 WeakPolarHBondContact O-CG2 3.33Å; G14-V18 PolarHBondContact O-N 2.87Å |
| 15 | L | 79.5 | Confident | 75.6 | Confident | 17 Ų | 17 | 81.8 Ų | 81.8 | 9% | 0.089 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -58.9 | -49.1 | 174.3 | -77.4 | 159.2 | 0 | 0 | 0 | 111 | L11 V12 F17 V18 C19 V59 A62 | L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 WeakPolarHBondContact O-CD1 3.32Å; L11-L15 VanDerWaalsContact O-CG 3.3Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 2.96Å; V12-L15 PolarHBondContact O-N 3.28Å; L15-F17 VanDerWaalsContact C-N 3.33Å; L15-F17 PolarHBondContact O-N 2.89Å; L15-V18 PolarHBondContact O-N 3.44Å; L15-C19 WeakPolarHBondContact O-CB 3.3Å; L15-C19 PolarHBondContact O-N 2.82Å; L15-C19 PolarHBondContact O-SG 3.08Å; L15-V59 HydrophobicContact CD2-CB 3.98Å; L15-V59 HydrophobicContact CD2-CG1 3.49Å; L15-V59 VanDerWaalsContact CD2-CG1 3.49Å; L15-V59 HydrophobicContact CD2-CG2 4.32Å; L15-V59 VanDerWaalsContact CD2-O 3.29Å; L15-V59 WeakPolarHBondContact CD2-O 3.47Å; L15-A62 HydrophobicContact CD1-CB 4.45Å; L15-A62 HydrophobicContact CD2-CB 3.99Å |
| 16 | L | 81.6 | Confident | 76.2 | Confident | 112 Ų | 112 | 80.5 Ų | 80.5 | 59% | 0.586 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.2 | -40.5 | -179.6 | -149.3 | 92.8 | 0 | 0 | 0 | 111.6 | V12 F13 C19 T20 | V12-L16 WeakPolarHBondContact O-CB 3.26Å; V12-L16 PolarHBondContact O-N 3.43Å; F13-L16 PolarHBondContact O-N 2.98Å; L16-C19 PolarHBondContact O-N 3.33Å; L16-T20 WeakPolarHBondContact O-CB 3.41Å; L16-T20 PolarHBondContact O-N 3.46Å; L16-T20 PolarHBondContact O-OG1 2.88Å |
| 17 | F | 80.5 | Confident | 76.1 | Confident | 111 Ų | 111 | 79.4 Ų | 79.4 | 49% | 0.487 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65 | -47 | 178.1 | -168.9 | -98.3 | 0 | 0 | 0 | 111.7 | F13 G14 L15 T20 C21 F45 | F13-F17 VanDerWaalsContact O-CB 3.32Å; F13-F17 WeakPolarHBondContact O-CB 3.39Å; F13-F17 PolarHBondContact O-N 3Å; G14-F17 PolarHBondContact O-N 3.4Å; L15-F17 VanDerWaalsContact C-N 3.33Å; L15-F17 PolarHBondContact O-N 2.89Å; F17-T20 PolarHBondContact O-N 3.47Å; F17-C21 PolarHBondContact O-N 3.39Å; F17-C21 PolarHBondContact O-SG 2.84Å; F17-F45 HydrophobicContact CE1-CE1 4.41Å; F17-F45 HydrophobicContact CE1-CZ 4.24Å; F17-F45 HydrophobicContact CE2-CZ 4.31Å; F17-F45 AromaticContact CZ-CE1 3.99Å; F17-F45 HydrophobicContact CZ-CE1 3.99Å; F17-F45 AromaticContact CZ-CZ 3.54Å; F17-F45 HydrophobicContact CZ-CZ 3.54Å |
| 18 | V | 77.4 | Confident | 75.3 | Confident | 46 Ų | 46 | 76.8 Ų | 76.8 | 28% | 0.279 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 176.1 | 166.6 | 0 | 0 | 0 | 0 | 111.4 | G14 L15 T20 C21 A22 V59 | G14-V18 WeakPolarHBondContact O-CG2 3.33Å; G14-V18 PolarHBondContact O-N 2.87Å; L15-V18 PolarHBondContact O-N 3.44Å; V18-T20 VanDerWaalsContact C-N 3.35Å; V18-T20 PolarHBondContact O-N 3.08Å; V18-C21 WeakPolarHBondContact O-CB 3.33Å; V18-C21 PolarHBondContact O-N 3.18Å; V18-A22 PolarHBondContact O-N 3.18Å; V18-V59 HydrophobicContact CG1-CG1 4.29Å; V18-V59 HydrophobicContact CG1-CG2 4.1Å |
| 19 | C | 78 | Confident | 74.6 | Confident | 40 Ų | 40 | 82.6 Ų | 82.6 | 27% | 0.27 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 175.6 | -81.7 | 0 | 0 | 0 | 0 | 111.9 | L15 L16 A22 Y23 | L15-C19 WeakPolarHBondContact O-CB 3.3Å; L15-C19 PolarHBondContact O-N 2.82Å; L15-C19 PolarHBondContact O-SG 3.08Å; L16-C19 PolarHBondContact O-N 3.33Å; C19-A22 PolarHBondContact O-N 2.8Å; C19-Y23 WeakPolarHBondContact O-CB 3.35Å; C19-Y23 PolarHBondContact O-N 2.92Å |
| 20 | T | 79.1 | Confident | 73.9 | Confident | 69 Ų | 69 | 84.9 Ų | 84.9 | 42% | 0.423 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 175.9 | -59 | 0 | 0 | 0 | 0 | 110.8 | L16 F17 V18 A22 Y23 F24 | L16-T20 WeakPolarHBondContact O-CB 3.41Å; L16-T20 PolarHBondContact O-N 3.46Å; L16-T20 PolarHBondContact O-OG1 2.88Å; F17-T20 PolarHBondContact O-N 3.47Å; V18-T20 VanDerWaalsContact C-N 3.35Å; V18-T20 PolarHBondContact O-N 3.08Å; T20-A22 VanDerWaalsContact C-N 3.34Å; T20-A22 PolarHBondContact O-N 3.48Å; T20-Y23 WeakPolarHBondContact O-CB 3.5Å; T20-Y23 PolarHBondContact O-N 3.41Å; T20-F24 HydrophobicContact CG2-CD2 4.02Å; T20-F24 HydrophobicContact CG2-CE2 4.1Å; T20-F24 WeakPolarHBondContact O-CD2 3.49Å; T20-F24 PolarHBondContact O-N 3.48Å |
| 21 | C | 71.1 | Confident | 72.8 | Confident | 12 Ų | 12 | 82.8 Ų | 82.8 | 8% | 0.081 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 175.7 | -66.3 | 0 | 0 | 0 | 0 | 112.1 | F17 V18 K25 F45 A49 | F17-C21 PolarHBondContact O-N 3.39Å; F17-C21 PolarHBondContact O-SG 2.84Å; V18-C21 WeakPolarHBondContact O-CB 3.33Å; V18-C21 PolarHBondContact O-N 3.18Å; C21-K25 PolarHBondContact O-N 3.06Å; C21-F45 WeakPolarHBondContact SG-CE1 3.25Å; C21-A49 HydrophobicContact CB-CB 4.17Å; C21-A49 VanDerWaalsContact O-CB 3.29Å; C21-A49 WeakPolarHBondContact O-CB 3.32Å |
| 22 | A | 71.9 | Confident | 71.8 | Confident | 8 Ų | 8 | 83.3 Ų | 83.3 | 7% | 0.066 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.9 | -38.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | V18 C19 T20 K25 K26 T53 | V18-A22 PolarHBondContact O-N 3.18Å; C19-A22 PolarHBondContact O-N 2.8Å; T20-A22 VanDerWaalsContact C-N 3.34Å; T20-A22 PolarHBondContact O-N 3.48Å; A22-K25 WeakPolarHBondContact O-CB 3.35Å; A22-K25 PolarHBondContact O-N 3.11Å; A22-K26 PolarHBondContact O-N 3.15Å; A22-T53 HydrophobicContact CB-CG2 3.89Å |
| 23 | Y | 73.1 | Confident | 70.9 | Confident | 168 Ų | 168 | 91 Ų | 91 | 66% | 0.659 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.2 | -45 | 176.4 | -166.1 | -96.9 | 0 | 0 | 0 | 111.3 | C19 T20 K25 K26 V27 | C19-Y23 WeakPolarHBondContact O-CB 3.35Å; C19-Y23 PolarHBondContact O-N 2.92Å; T20-Y23 WeakPolarHBondContact O-CB 3.5Å; T20-Y23 PolarHBondContact O-N 3.41Å; Y23-K25 PolarHBondContact O-N 3.42Å; Y23-K26 PolarHBondContact O-N 3.23Å; Y23-V27 HydrophobicContact CD1-CG2 3.88Å; Y23-V27 HydrophobicContact CE1-CG2 3.55Å; Y23-V27 PolarHBondContact O-N 3.02Å |
| 24 | F | 71.1 | Confident | 69.6 | Low | 93 Ų | 93 | 85.4 Ų | 85.4 | 41% | 0.408 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -56.5 | -33.6 | 174.2 | -99 | -89.9 | 0 | 0 | 0 | 113.1 | T20 L30 L34 | T20-F24 HydrophobicContact CG2-CD2 4.02Å; T20-F24 HydrophobicContact CG2-CE2 4.1Å; T20-F24 WeakPolarHBondContact O-CD2 3.49Å; T20-F24 PolarHBondContact O-N 3.48Å; F24-L30 HydrophobicContact CD1-CB 4.36Å; F24-L30 HydrophobicContact CD1-CD1 4.29Å; F24-L30 HydrophobicContact CE1-CB 4.37Å; F24-L30 HydrophobicContact CE1-CD1 3.92Å; F24-L30 HydrophobicContact CE1-CD2 4.49Å; F24-L30 HydrophobicContact CZ-CD1 4.39Å; F24-L34 HydrophobicContact CD1-CD2 4.45Å; F24-L34 HydrophobicContact CE1-CD2 4.23Å |
| 25 | K | 65.7 | Low | 68.2 | Low | 58 Ų | 58 | 86.2 Ų | 86.2 | 25% | 0.252 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71.4 | -32.5 | 175.2 | -175.2 | 173.3 | 172.9 | -159.6 | 0 | 112.8 | C21 A22 Y23 Y46 A49 V50 T53 | C21-K25 PolarHBondContact O-N 3.06Å; A22-K25 WeakPolarHBondContact O-CB 3.35Å; A22-K25 PolarHBondContact O-N 3.11Å; Y23-K25 PolarHBondContact O-N 3.42Å; K25-Y46 HydrophobicContact CD-CE2 4.22Å; K25-Y46 HydrophobicContact CG-CE2 4.08Å; K25-A49 HydrophobicContact CB-CB 4.2Å; K25-A49 HydrophobicContact CD-CB 4.28Å; K25-V50 HydrophobicContact CD-CG2 4.04Å; K25-T53 HydrophobicContact CD-CG2 4.33Å; K25-T53 PolarHBondContact NZ-OG1 3.46Å; K25-T53 VanDerWaalsContact NZ-OG1 3.1Å |
| 26 | K | 67.3 | Low | 67 | Low | 182 Ų | 182 | 90 Ų | 90 | 79% | 0.791 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -83.5 | -18.2 | -179 | -164.5 | 159.1 | -176.1 | 179.3 | 0 | 113.4 | A22 Y23 P28 | A22-K26 PolarHBondContact O-N 3.15Å; Y23-K26 PolarHBondContact O-N 3.23Å; K26-P28 WeakPolarHBondContact O-CD 3.45Å |
| 27 | V | 68.9 | Low | 65.8 | Low | 37 Ų | 37 | 91.7 Ų | 91.7 | 22% | 0.224 | 44% | 0.443 | C | S | . | . | trans | -90 | 96.1 | 172.9 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | Y23 R29 L30 K31 | Y23-V27 HydrophobicContact CD1-CG2 3.88Å; Y23-V27 HydrophobicContact CE1-CG2 3.55Å; Y23-V27 PolarHBondContact O-N 3.02Å; V27-R29 HydrophobicContact CG1-CB 4.35Å; V27-R29 PolarHBondContact O-N 3.4Å; V27-L30 HydrophobicContact CB-CD1 4.42Å; V27-L30 HydrophobicContact CG1-CB 4.38Å; V27-L30 HydrophobicContact CG1-CD1 4.03Å; V27-L30 HydrophobicContact CG1-CG 4.3Å; V27-L30 PolarHBondContact O-N 3.3Å; V27-K31 PolarHBondContact O-N 3.34Å | ||
| 28 | P | 59.8 | Low | 64.4 | Low | 88 Ų | 88 | 95.8 Ų | 95.8 | 57% | 0.571 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.5 | -25.4 | -175.8 | 26.6 | -36.3 | 0 | 0 | 0 | 113.2 | K26 K31 T32 | K26-P28 WeakPolarHBondContact O-CD 3.45Å; P28-K31 WeakPolarHBondContact O-CB 3.34Å; P28-K31 PolarHBondContact O-N 3.1Å; P28-T32 PolarHBondContact O-N 3.4Å; P28-T32 PolarHBondContact O-OG1 3.31Å |
| 29 | R | 61.1 | Low | 63.3 | Low | 222 Ų | 222 | 102.8 Ų | 102.8 | 84% | 0.838 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.9 | -45 | -179.4 | -74.7 | -73 | -169.8 | 138.1 | 0.2 | 112.6 | V27 W33 | V27-R29 HydrophobicContact CG1-CB 4.35Å; V27-R29 PolarHBondContact O-N 3.4Å; R29-W33 PolarHBondContact O-N 3.46Å |
| 30 | L | 61.3 | Low | 62.8 | Low | 69 Ų | 69 | 103.6 Ų | 103.6 | 36% | 0.361 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.8 | -36.2 | 175.4 | -77.6 | 162.4 | 0 | 0 | 0 | 110.8 | F24 V27 T32 W33 L34 | F24-L30 HydrophobicContact CD1-CB 4.36Å; F24-L30 HydrophobicContact CD1-CD1 4.29Å; F24-L30 HydrophobicContact CE1-CB 4.37Å; F24-L30 HydrophobicContact CE1-CD1 3.92Å; F24-L30 HydrophobicContact CE1-CD2 4.49Å; F24-L30 HydrophobicContact CZ-CD1 4.39Å; V27-L30 HydrophobicContact CB-CD1 4.42Å; V27-L30 HydrophobicContact CG1-CB 4.38Å; V27-L30 HydrophobicContact CG1-CD1 4.03Å; V27-L30 HydrophobicContact CG1-CG 4.3Å; V27-L30 PolarHBondContact O-N 3.3Å; L30-T32 VanDerWaalsContact C-N 3.3Å; L30-T32 PolarHBondContact O-N 2.98Å; L30-W33 PolarHBondContact O-N 2.82Å; L30-L34 HydrophobicContact CB-CD1 4.28Å; L30-L34 HydrophobicContact CD2-CD1 4.01Å; L30-L34 VanDerWaalsContact O-CB 3.27Å; L30-L34 WeakPolarHBondContact O-CB 3.29Å; L30-L34 VanDerWaalsContact O-CD1 3.26Å; L30-L34 WeakPolarHBondContact O-CD1 3.44Å; L30-L34 PolarHBondContact O-N 2.84Å |
| 31 | K | 57.7 | Low | 62.1 | Low | 63 Ų | 63 | 106 Ų | 106 | 27% | 0.274 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.4 | -40.4 | 176.7 | -159.7 | 177.6 | -171.8 | -80 | 0 | 112.2 | V27 P28 L35 Y46 | V27-K31 PolarHBondContact O-N 3.34Å; P28-K31 WeakPolarHBondContact O-CB 3.34Å; P28-K31 PolarHBondContact O-N 3.1Å; K31-L35 HydrophobicContact CG-CD1 4.11Å; K31-L35 HydrophobicContact CG-CD2 4.23Å; K31-L35 WeakPolarHBondContact O-CA 3.34Å; K31-L35 WeakPolarHBondContact O-CB 3.2Å; K31-L35 PolarHBondContact O-N 3.24Å; K31-Y46 HydrophobicContact CD-CE2 4.4Å |
| 32 | T | 59.1 | Low | 61.8 | Low | 109 Ų | 109 | 110.9 Ų | 110.9 | 67% | 0.669 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -71.3 | -37.9 | 177.3 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | P28 L30 | P28-T32 PolarHBondContact O-N 3.4Å; P28-T32 PolarHBondContact O-OG1 3.31Å; L30-T32 VanDerWaalsContact C-N 3.3Å; L30-T32 PolarHBondContact O-N 2.98Å |
| 33 | W | 60.6 | Low | 61.5 | Low | 226 Ų | 226 | 112.7 Ų | 112.7 | 86% | 0.856 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72.5 | -35.1 | 179.4 | -138.8 | 73.4 | 0 | 0 | 0 | 112.1 | R29 L30 | R29-W33 PolarHBondContact O-N 3.46Å; L30-W33 PolarHBondContact O-N 2.82Å |
| 34 | L | 53.6 | Low | 61.5 | Low | 29 Ų | 29 | 109.6 Ų | 109.6 | 15% | 0.152 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -83.8 | -55.3 | 177.4 | -84.9 | 76.4 | 0 | 0 | 0 | 112.6 | F24 L30 S36 W42 | F24-L34 HydrophobicContact CD1-CD2 4.45Å; F24-L34 HydrophobicContact CE1-CD2 4.23Å; L30-L34 HydrophobicContact CB-CD1 4.28Å; L30-L34 HydrophobicContact CD2-CD1 4.01Å; L30-L34 VanDerWaalsContact O-CB 3.27Å; L30-L34 WeakPolarHBondContact O-CB 3.29Å; L30-L34 VanDerWaalsContact O-CD1 3.26Å; L30-L34 WeakPolarHBondContact O-CD1 3.44Å; L30-L34 PolarHBondContact O-N 2.84Å; L34-S36 PolarHBondContact O-N 2.88Å; L34-S36 VanDerWaalsContact O-N 3.07Å; L34-W42 HydrophobicContact CB-CD2 3.93Å; L34-W42 HydrophobicContact CB-CE3 3.47Å; L34-W42 VanDerWaalsContact CB-CE3 3.47Å; L34-W42 HydrophobicContact CB-CH2 3.62Å; L34-W42 HydrophobicContact CB-CZ2 3.98Å; L34-W42 HydrophobicContact CB-CZ3 3.33Å; L34-W42 HydrophobicContact CD1-CH2 4.28Å; L34-W42 HydrophobicContact CD1-CZ2 4.35Å; L34-W42 HydrophobicContact CD2-CD2 3.77Å; L34-W42 HydrophobicContact CD2-CE3 4.16Å; L34-W42 HydrophobicContact CD2-CH2 3.75Å; L34-W42 HydrophobicContact CD2-CZ2 3.19Å; L34-W42 HydrophobicContact CD2-CZ3 4.18Å; L34-W42 HydrophobicContact CG-CD2 4.04Å; L34-W42 HydrophobicContact CG-CE3 3.91Å; L34-W42 HydrophobicContact CG-CH2 3.19Å; L34-W42 HydrophobicContact CG-CZ2 3.23Å; L34-W42 HydrophobicContact CG-CZ3 3.53Å; L34-W42 WeakPolarHBondContact O-CZ3 3.3Å |
| 35 | L | 53.1 | Low | 61.4 | Low | 52 Ų | 52 | 109.8 Ų | 109.8 | 27% | 0.272 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.1 | 6.9 | -174.8 | -88.5 | 71.5 | 0 | 0 | 0 | 115 | K31 E37 K38 Y46 | K31-L35 HydrophobicContact CG-CD1 4.11Å; K31-L35 HydrophobicContact CG-CD2 4.23Å; K31-L35 WeakPolarHBondContact O-CA 3.34Å; K31-L35 WeakPolarHBondContact O-CB 3.2Å; K31-L35 PolarHBondContact O-N 3.24Å; L35-E37 PolarHBondContact O-N 2.9Å; L35-K38 WeakPolarHBondContact O-CG 3.37Å; L35-Y46 HydrophobicContact CD2-CD2 4.36Å; L35-Y46 HydrophobicContact CD2-CG 4.43Å |
| 36 | S | 56 | Low | 61.5 | Low | 97 Ų | 97 | 111.1 Ų | 111.1 | 68% | 0.678 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -32.5 | 169.9 | -162.3 | 0 | 0 | 0 | 0 | 111 | L34 K38 | L34-S36 PolarHBondContact O-N 2.88Å; L34-S36 VanDerWaalsContact O-N 3.07Å; S36-K38 PolarHBondContact O-N 3.41Å |
| 37 | E | 54.8 | Low | 61.7 | Low | 146 Ų | 146 | 109.8 Ų | 109.8 | 68% | 0.682 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -90 | 86.7 | 169.5 | -76.4 | -71.4 | 108.4 | 0 | 0 | 109.4 | L35 K39 | L35-E37 PolarHBondContact O-N 2.9Å; E37-K39 PolarHBondContact O-N 2.83Å |
| 38 | K | 52.2 | Low | 61.7 | Low | 198 Ų | 198 | 110.3 Ų | 110.3 | 86% | 0.861 | 56% | 0.558 | S | S | * | * | trans | -69.1 | 33.2 | 178.4 | -68.7 | -171 | -176.6 | -175.6 | 0 | 114.3 | L35 S36 | L35-K38 WeakPolarHBondContact O-CG 3.37Å; S36-K38 PolarHBondContact O-N 3.41Å | ||
| 39 | K | 53.5 | Low | 62.1 | Low | 193 Ų | 193 | 106.4 Ų | 106.4 | 84% | 0.839 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -133.4 | 131.4 | 178.8 | -94.2 | 178.8 | 174 | 178.3 | 0 | 112.1 | E37 | E37-K39 PolarHBondContact O-N 2.83Š|
| 40 | G | 66.9 | Low | 62.7 | Low | 57 Ų | 57 | 97.7 Ų | 97.7 | 59% | 0.588 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 103.2 | -154.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | W42 G43 | G40-W42 PolarHBondContact O-N 3.2Å; G40-W42 VanDerWaalsContact O-N 3.08Å; G40-G43 PolarHBondContact O-N 3.28Å |
| 41 | V | 65.7 | Low | 63.3 | Low | 118 Ų | 118 | 100 Ų | 100 | 72% | 0.715 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -55.2 | -25.5 | -171.2 | -93.9 | 0 | 0 | 0 | 0 | 114.7 | G43 V44 F45 | V41-G43 VanDerWaalsContact C-N 3.33Å; V41-G43 PolarHBondContact O-N 3.48Å; V41-V44 PolarHBondContact O-N 2.9Å; V41-F45 PolarHBondContact O-N 3.3Å |
| 42 | W | 65.3 | Low | 63.8 | Low | 116 Ų | 116 | 97.5 Ų | 97.5 | 44% | 0.439 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.6 | -24.1 | 174.9 | -83.2 | -4.7 | 0 | 0 | 0 | 114.9 | L34 G40 V44 Y46 | L34-W42 HydrophobicContact CB-CD2 3.93Å; L34-W42 HydrophobicContact CB-CE3 3.47Å; L34-W42 VanDerWaalsContact CB-CE3 3.47Å; L34-W42 HydrophobicContact CB-CH2 3.62Å; L34-W42 HydrophobicContact CB-CZ2 3.98Å; L34-W42 HydrophobicContact CB-CZ3 3.33Å; L34-W42 HydrophobicContact CD1-CH2 4.28Å; L34-W42 HydrophobicContact CD1-CZ2 4.35Å; L34-W42 HydrophobicContact CD2-CD2 3.77Å; L34-W42 HydrophobicContact CD2-CE3 4.16Å; L34-W42 HydrophobicContact CD2-CH2 3.75Å; L34-W42 HydrophobicContact CD2-CZ2 3.19Å; L34-W42 HydrophobicContact CD2-CZ3 4.18Å; L34-W42 HydrophobicContact CG-CD2 4.04Å; L34-W42 HydrophobicContact CG-CE3 3.91Å; L34-W42 HydrophobicContact CG-CH2 3.19Å; L34-W42 HydrophobicContact CG-CZ2 3.23Å; L34-W42 HydrophobicContact CG-CZ3 3.53Å; L34-W42 WeakPolarHBondContact O-CZ3 3.3Å; G40-W42 PolarHBondContact O-N 3.2Å; G40-W42 VanDerWaalsContact O-N 3.08Å; W42-V44 VanDerWaalsContact C-N 3.33Å; W42-Y46 WeakPolarHBondContact O-CB 3.37Å; W42-Y46 PolarHBondContact O-N 3.48Å |
| 43 | G | 65.3 | Low | 64.3 | Low | 46 Ų | 46 | 94.7 Ų | 94.7 | 47% | 0.474 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | G40 V41 Y46 K47 | G40-G43 PolarHBondContact O-N 3.28Å; V41-G43 VanDerWaalsContact C-N 3.33Å; V41-G43 PolarHBondContact O-N 3.48Å; G43-Y46 PolarHBondContact O-N 2.92Å; G43-K47 PolarHBondContact O-N 2.91Å |
| 44 | V | 72.4 | Confident | 65 | Low | 102 Ų | 102 | 94 Ų | 94 | 62% | 0.618 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.1 | -45 | 176 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | V41 W42 Y46 K47 A48 | V41-V44 PolarHBondContact O-N 2.9Å; W42-V44 VanDerWaalsContact C-N 3.33Å; V44-Y46 VanDerWaalsContact C-N 3.29Å; V44-Y46 PolarHBondContact O-N 3.27Å; V44-K47 PolarHBondContact O-N 3.39Å; V44-A48 VanDerWaalsContact O-CB 3.29Å; V44-A48 WeakPolarHBondContact O-CB 3.47Å; V44-A48 PolarHBondContact O-N 2.95Å |
| 45 | F | 68.3 | Low | 66 | Low | 98 Ų | 98 | 98.1 Ų | 98.1 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.5 | -38.3 | 173.6 | -107 | -96.5 | 0 | 0 | 0 | 112.7 | F17 C21 V41 A48 A49 | F17-F45 HydrophobicContact CE1-CE1 4.41Å; F17-F45 HydrophobicContact CE1-CZ 4.24Å; F17-F45 HydrophobicContact CE2-CZ 4.31Å; F17-F45 AromaticContact CZ-CE1 3.99Å; F17-F45 HydrophobicContact CZ-CE1 3.99Å; F17-F45 AromaticContact CZ-CZ 3.54Å; F17-F45 HydrophobicContact CZ-CZ 3.54Å; C21-F45 WeakPolarHBondContact SG-CE1 3.25Å; V41-F45 PolarHBondContact O-N 3.3Å; F45-A48 PolarHBondContact O-N 3.43Å; F45-A49 VanDerWaalsContact O-CB 3.26Å; F45-A49 WeakPolarHBondContact O-CB 3.37Å; F45-A49 PolarHBondContact O-N 2.91Å |
| 46 | Y | 68.4 | Low | 67 | Low | 86 Ų | 86 | 99.2 Ų | 99.2 | 34% | 0.337 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67 | -44.3 | 175.9 | -173.6 | -106.8 | 0 | 0 | 0 | 112.1 | K25 K31 L35 W42 G43 V44 A49 V50 | K25-Y46 HydrophobicContact CD-CE2 4.22Å; K25-Y46 HydrophobicContact CG-CE2 4.08Å; K31-Y46 HydrophobicContact CD-CE2 4.4Å; L35-Y46 HydrophobicContact CD2-CD2 4.36Å; L35-Y46 HydrophobicContact CD2-CG 4.43Å; W42-Y46 WeakPolarHBondContact O-CB 3.37Å; W42-Y46 PolarHBondContact O-N 3.48Å; G43-Y46 PolarHBondContact O-N 2.92Å; V44-Y46 VanDerWaalsContact C-N 3.29Å; V44-Y46 PolarHBondContact O-N 3.27Å; Y46-A49 PolarHBondContact O-N 3.32Å; Y46-V50 HydrophobicContact CD1-CG2 4.22Å; Y46-V50 HydrophobicContact CE1-CG2 3.95Å; Y46-V50 HydrophobicContact CE2-CG2 4.45Å; Y46-V50 WeakPolarHBondContact O-CG2 3.43Å; Y46-V50 PolarHBondContact O-N 3.46Å |
| 47 | K | 71.1 | Confident | 67.9 | Low | 153 Ų | 153 | 98 Ų | 98 | 67% | 0.665 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.5 | -43.6 | 173.6 | -97.1 | -165.7 | -179.2 | -155.4 | 0 | 111.8 | G43 V44 A49 V50 I51 | G43-K47 PolarHBondContact O-N 2.91Å; V44-K47 PolarHBondContact O-N 3.39Å; K47-A49 PolarHBondContact O-N 2.8Å; K47-V50 PolarHBondContact O-N 3.44Å; K47-V50 VanDerWaalsContact O-N 3.16Å; K47-I51 WeakPolarHBondContact O-CG1 3.44Å; K47-I51 PolarHBondContact O-N 2.86Å |
| 48 | A | 69.2 | Low | 69 | Low | 49 Ų | 49 | 93.8 Ų | 93.8 | 41% | 0.405 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V44 F45 V50 I51 G52 | V44-A48 VanDerWaalsContact O-CB 3.29Å; V44-A48 WeakPolarHBondContact O-CB 3.47Å; V44-A48 PolarHBondContact O-N 2.95Å; F45-A48 PolarHBondContact O-N 3.43Å; A48-V50 VanDerWaalsContact C-N 3.33Å; A48-V50 PolarHBondContact O-N 2.95Å; A48-I51 PolarHBondContact O-N 3.33Å; A48-G52 PolarHBondContact O-N 3.32Å |
| 49 | A | 68.6 | Low | 70.2 | Confident | 5 Ų | 5 | 85.3 Ų | 85.3 | 4% | 0.041 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66.2 | -33.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | C21 K25 F45 Y46 K47 T53 | C21-A49 HydrophobicContact CB-CB 4.17Å; C21-A49 VanDerWaalsContact O-CB 3.29Å; C21-A49 WeakPolarHBondContact O-CB 3.32Å; K25-A49 HydrophobicContact CB-CB 4.2Å; K25-A49 HydrophobicContact CD-CB 4.28Å; F45-A49 VanDerWaalsContact O-CB 3.26Å; F45-A49 WeakPolarHBondContact O-CB 3.37Å; F45-A49 PolarHBondContact O-N 2.91Å; Y46-A49 PolarHBondContact O-N 3.32Å; K47-A49 PolarHBondContact O-N 2.8Å; A49-T53 WeakPolarHBondContact O-CB 3.42Å; A49-T53 WeakPolarHBondContact O-CG2 3.49Å; A49-T53 PolarHBondContact O-N 2.77Å; A49-T53 PolarHBondContact O-OG1 2.92Å |
| 50 | V | 73 | Confident | 71.3 | Confident | 40 Ų | 40 | 77.9 Ų | 77.9 | 24% | 0.242 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -67 | -44.7 | 173.6 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | K25 Y46 K47 A48 T53 R54 | K25-V50 HydrophobicContact CD-CG2 4.04Å; Y46-V50 HydrophobicContact CD1-CG2 4.22Å; Y46-V50 HydrophobicContact CE1-CG2 3.95Å; Y46-V50 HydrophobicContact CE2-CG2 4.45Å; Y46-V50 WeakPolarHBondContact O-CG2 3.43Å; Y46-V50 PolarHBondContact O-N 3.46Å; K47-V50 PolarHBondContact O-N 3.44Å; K47-V50 VanDerWaalsContact O-N 3.16Å; A48-V50 VanDerWaalsContact C-N 3.33Å; A48-V50 PolarHBondContact O-N 2.95Å; V50-T53 WeakPolarHBondContact CA-OG1 3.39Å; V50-T53 PolarHBondContact O-N 3.45Å; V50-T53 PolarHBondContact O-OG1 3.4Å; V50-R54 WeakPolarHBondContact O-CG 3.46Å; V50-R54 PolarHBondContact O-N 3.39Å |
| 51 | I | 74.8 | Confident | 72.1 | Confident | 118 Ų | 118 | 80.3 Ų | 80.3 | 61% | 0.605 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.6 | -45.2 | 175.6 | -71.6 | 158.4 | 0 | 0 | 0 | 110.3 | K47 A48 T53 R54 L55 | K47-I51 WeakPolarHBondContact O-CG1 3.44Å; K47-I51 PolarHBondContact O-N 2.86Å; A48-I51 PolarHBondContact O-N 3.33Å; I51-T53 VanDerWaalsContact C-N 3.29Å; I51-T53 PolarHBondContact O-N 2.91Å; I51-R54 WeakPolarHBondContact O-CB 3.36Å; I51-R54 PolarHBondContact O-N 2.83Å; I51-L55 PolarHBondContact O-N 3.23Å; I51-L55 VanDerWaalsContact O-N 3.15Å |
| 52 | G | 68.8 | Low | 72.9 | Confident | 10 Ų | 10 | 76.5 Ų | 76.5 | 10% | 0.103 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.3 | -37.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A48 R54 L55 H56 | A48-G52 PolarHBondContact O-N 3.32Å; G52-R54 VanDerWaalsContact C-N 3.3Å; G52-R54 PolarHBondContact O-N 2.95Å; G52-L55 CarbonylContact O-C 3.44Å; G52-L55 PolarHBondContact O-N 3.2Å; G52-H56 WeakPolarHBondContact O-CA 3.44Å; G52-H56 WeakPolarHBondContact O-CB 3.32Å; G52-H56 PolarHBondContact O-N 3.42Å |
| 53 | T | 69.6 | Low | 73.6 | Confident | 49 Ų | 49 | 73.4 Ų | 73.4 | 30% | 0.301 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.8 | -25.8 | 174.9 | 41 | 0 | 0 | 0 | 0 | 113.6 | A22 K25 A49 V50 I51 | A22-T53 HydrophobicContact CB-CG2 3.89Å; K25-T53 HydrophobicContact CD-CG2 4.33Å; K25-T53 PolarHBondContact NZ-OG1 3.46Å; K25-T53 VanDerWaalsContact NZ-OG1 3.1Å; A49-T53 WeakPolarHBondContact O-CB 3.42Å; A49-T53 WeakPolarHBondContact O-CG2 3.49Å; A49-T53 PolarHBondContact O-N 2.77Å; A49-T53 PolarHBondContact O-OG1 2.92Å; V50-T53 WeakPolarHBondContact CA-OG1 3.39Å; V50-T53 PolarHBondContact O-N 3.45Å; V50-T53 PolarHBondContact O-OG1 3.4Å; I51-T53 VanDerWaalsContact C-N 3.29Å; I51-T53 PolarHBondContact O-N 2.91Å |
| 54 | R | 74.4 | Confident | 74.4 | Confident | 211 Ų | 211 | 76.3 Ų | 76.3 | 80% | 0.796 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -73 | -39.5 | 171.2 | -56.9 | -70.4 | -179.1 | 170 | 0.9 | 111.5 | V50 I51 G52 H56 | V50-R54 WeakPolarHBondContact O-CG 3.46Å; V50-R54 PolarHBondContact O-N 3.39Å; I51-R54 WeakPolarHBondContact O-CB 3.36Å; I51-R54 PolarHBondContact O-N 2.83Å; G52-R54 VanDerWaalsContact C-N 3.3Å; G52-R54 PolarHBondContact O-N 2.95Å; R54-H56 VanDerWaalsContact C-N 3.33Å |
| 55 | L | 75.7 | Confident | 75 | Confident | 116 Ų | 116 | 75.6 Ų | 75.6 | 61% | 0.607 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -86.7 | -0.8 | 178.2 | -134.8 | 74.5 | 0 | 0 | 0 | 113.7 | I51 G52 A57 A58 V59 | I51-L55 PolarHBondContact O-N 3.23Å; I51-L55 VanDerWaalsContact O-N 3.15Å; G52-L55 CarbonylContact O-C 3.44Å; G52-L55 PolarHBondContact O-N 3.2Å; L55-A57 PolarHBondContact O-N 3.21Å; L55-A58 WeakPolarHBondContact O-CB 3.39Å; L55-A58 PolarHBondContact O-N 3.24Å; L55-V59 PolarHBondContact O-N 3.32Å |
| 56 | H | 72.5 | Confident | 75.5 | Confident | 76 Ų | 76 | 72.3 Ų | 72.3 | 35% | 0.352 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.5 | -32.1 | -171.1 | -172 | -175.1 | 0 | 0 | 0 | 112.4 | G52 R54 A58 V59 A60 | G52-H56 WeakPolarHBondContact O-CA 3.44Å; G52-H56 WeakPolarHBondContact O-CB 3.32Å; G52-H56 PolarHBondContact O-N 3.42Å; R54-H56 VanDerWaalsContact C-N 3.33Å; H56-A58 VanDerWaalsContact C-N 3.34Å; H56-A58 PolarHBondContact O-N 3.06Å; H56-V59 PolarHBondContact O-N 3.15Å; H56-A60 WeakPolarHBondContact O-CB 3.26Å; H56-A60 PolarHBondContact O-N 2.96Å |
| 57 | A | 75.1 | Confident | 76 | Confident | 70 Ų | 70 | 70.8 Ų | 70.8 | 58% | 0.579 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.1 | -45.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L55 A60 I61 | L55-A57 PolarHBondContact O-N 3.21Å; A57-A60 PolarHBondContact O-N 3.38Å; A57-I61 WeakPolarHBondContact O-CD1 3.29Å; A57-I61 VanDerWaalsContact O-CG1 3.26Å; A57-I61 WeakPolarHBondContact O-CG1 3.42Å; A57-I61 PolarHBondContact O-N 3.46Å; A57-I61 VanDerWaalsContact O-N 3.09Å |
| 58 | A | 79.1 | Confident | 76.6 | Confident | 59 Ų | 59 | 69.5 Ų | 69.5 | 49% | 0.488 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.4 | -41 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | L55 H56 I61 A62 | L55-A58 WeakPolarHBondContact O-CB 3.39Å; L55-A58 PolarHBondContact O-N 3.24Å; H56-A58 VanDerWaalsContact C-N 3.34Å; H56-A58 PolarHBondContact O-N 3.06Å; A58-I61 PolarHBondContact O-N 2.95Å; A58-A62 WeakPolarHBondContact O-CB 3.49Å; A58-A62 PolarHBondContact O-N 2.8Å |
| 59 | V | 77.3 | Confident | 77.3 | Confident | 19 Ų | 19 | 73.5 Ų | 73.5 | 12% | 0.115 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61 | -44.5 | 175.4 | 167.3 | 0 | 0 | 0 | 0 | 111 | L15 V18 L55 H56 A62 C63 | L15-V59 HydrophobicContact CD2-CB 3.98Å; L15-V59 HydrophobicContact CD2-CG1 3.49Å; L15-V59 VanDerWaalsContact CD2-CG1 3.49Å; L15-V59 HydrophobicContact CD2-CG2 4.32Å; L15-V59 VanDerWaalsContact CD2-O 3.29Å; L15-V59 WeakPolarHBondContact CD2-O 3.47Å; V18-V59 HydrophobicContact CG1-CG1 4.29Å; V18-V59 HydrophobicContact CG1-CG2 4.1Å; L55-V59 PolarHBondContact O-N 3.32Å; H56-V59 PolarHBondContact O-N 3.15Å; V59-A62 PolarHBondContact O-N 3.24Å; V59-C63 WeakPolarHBondContact O-CB 3.11Å; V59-C63 PolarHBondContact O-N 3.38Å |
| 60 | A | 76.9 | Confident | 77.7 | Confident | 38 Ų | 38 | 76.6 Ų | 76.6 | 31% | 0.314 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | H56 A57 C63 I64 | H56-A60 WeakPolarHBondContact O-CB 3.26Å; H56-A60 PolarHBondContact O-N 2.96Å; A57-A60 PolarHBondContact O-N 3.38Å; A60-C63 PolarHBondContact O-N 2.91Å; A60-I64 WeakPolarHBondContact O-CG1 3Å; A60-I64 PolarHBondContact O-N 3.05Å |
| 61 | I | 82.9 | Confident | 78.1 | Confident | 108 Ų | 108 | 81.5 Ų | 81.5 | 55% | 0.554 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.6 | -47.7 | 175.7 | -65.9 | 162.7 | 0 | 0 | 0 | 110.1 | A57 A58 C63 I64 V65 | A57-I61 WeakPolarHBondContact O-CD1 3.29Å; A57-I61 VanDerWaalsContact O-CG1 3.26Å; A57-I61 WeakPolarHBondContact O-CG1 3.42Å; A57-I61 PolarHBondContact O-N 3.46Å; A57-I61 VanDerWaalsContact O-N 3.09Å; A58-I61 PolarHBondContact O-N 2.95Å; I61-C63 VanDerWaalsContact C-N 3.32Å; I61-C63 PolarHBondContact O-N 3.16Å; I61-I64 PolarHBondContact O-N 3.5Å; I61-V65 HydrophobicContact CG2-CG2 4.41Å; I61-V65 WeakPolarHBondContact O-CG2 3.41Å; I61-V65 PolarHBondContact O-N 3.46Å |
| 62 | A | 81.8 | Confident | 78.5 | Confident | 38 Ų | 38 | 83.7 Ų | 83.7 | 31% | 0.314 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.8 | -38 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L15 A58 V59 V65 M66 | L15-A62 HydrophobicContact CD1-CB 4.45Å; L15-A62 HydrophobicContact CD2-CB 3.99Å; A58-A62 WeakPolarHBondContact O-CB 3.49Å; A58-A62 PolarHBondContact O-N 2.8Å; V59-A62 PolarHBondContact O-N 3.24Å; A62-V65 PolarHBondContact O-N 3Å; A62-M66 WeakPolarHBondContact O-CB 3.44Å; A62-M66 PolarHBondContact O-N 3.37Å |
| 63 | C | 79.8 | Confident | 78.9 | Confident | 51 Ų | 51 | 88.5 Ų | 88.5 | 35% | 0.345 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 174.7 | -121.2 | 0 | 0 | 0 | 0 | 112.2 | V59 A60 I61 A67 | V59-C63 WeakPolarHBondContact O-CB 3.11Å; V59-C63 PolarHBondContact O-N 3.38Å; A60-C63 PolarHBondContact O-N 2.91Å; I61-C63 VanDerWaalsContact C-N 3.32Å; I61-C63 PolarHBondContact O-N 3.16Å; C63-A67 VanDerWaalsContact O-CB 3.3Å; C63-A67 WeakPolarHBondContact O-CB 3.47Å; C63-A67 PolarHBondContact O-N 3.3Å |
| 64 | I | 82.7 | Confident | 78.8 | Confident | 106 Ų | 106 | 94.2 Ų | 94.2 | 54% | 0.544 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -44.7 | 176.3 | -67.8 | 166 | 0 | 0 | 0 | 110.4 | A60 I61 A67 F68 | A60-I64 WeakPolarHBondContact O-CG1 3Å; A60-I64 PolarHBondContact O-N 3.05Å; I61-I64 PolarHBondContact O-N 3.5Å; I64-A67 PolarHBondContact O-N 3.32Å; I64-F68 HydrophobicContact CG2-CD2 4.21Å; I64-F68 PolarHBondContact O-N 3.21Å |
| 65 | V | 84 | Confident | 79 | Confident | 88 Ų | 88 | 88.4 Ų | 88.4 | 53% | 0.533 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 177.9 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | I61 A62 A67 F68 Y69 | I61-V65 HydrophobicContact CG2-CG2 4.41Å; I61-V65 WeakPolarHBondContact O-CG2 3.41Å; I61-V65 PolarHBondContact O-N 3.46Å; A62-V65 PolarHBondContact O-N 3Å; V65-A67 PolarHBondContact O-N 3.07Å; V65-F68 PolarHBondContact O-N 3.24Å; V65-Y69 WeakPolarHBondContact O-CB 3.43Å; V65-Y69 PolarHBondContact O-N 3.35Å |
| 66 | M | 78.9 | Confident | 79.2 | Confident | 29 Ų | 29 | 86.9 Ų | 86.9 | 14% | 0.143 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -58.8 | -45.2 | 174 | -95.5 | -99.2 | -172 | 0 | 0 | 112.3 | D8 L11 V12 A62 F68 Y69 V70 | D8-M66 HydrophobicContact CB-CE 4.01Å; D8-M66 WeakPolarHBondContact O-CE 3.26Å; L11-M66 HydrophobicContact CB-CE 3.75Å; V12-M66 HydrophobicContact CG2-CE 3.61Å; V12-M66 HydrophobicContact CG2-CG 4.47Å; V12-M66 HydrophobicContact CG2-SD 3.25Å; V12-M66 WeakPolarHBondContact CG2-SD 3.4Å; A62-M66 WeakPolarHBondContact O-CB 3.44Å; A62-M66 PolarHBondContact O-N 3.37Å; M66-F68 VanDerWaalsContact C-N 3.35Å; M66-F68 PolarHBondContact O-N 2.97Å; M66-Y69 PolarHBondContact O-N 3.07Å; M66-V70 WeakPolarHBondContact O-CB 3.29Å; M66-V70 WeakPolarHBondContact O-CG2 3.45Å; M66-V70 PolarHBondContact O-N 3.08Å |
| 67 | A | 79 | Confident | 79.6 | Confident | 54 Ų | 54 | 87.6 Ų | 87.6 | 45% | 0.446 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | C63 I64 V65 V70 L71 | C63-A67 VanDerWaalsContact O-CB 3.3Å; C63-A67 WeakPolarHBondContact O-CB 3.47Å; C63-A67 PolarHBondContact O-N 3.3Å; I64-A67 PolarHBondContact O-N 3.32Å; V65-A67 PolarHBondContact O-N 3.07Å; A67-V70 PolarHBondContact O-N 2.81Å; A67-L71 WeakPolarHBondContact O-CB 3.27Å; A67-L71 PolarHBondContact O-N 2.8Å |
| 68 | F | 85.4 | Confident | 79.8 | Confident | 126 Ų | 126 | 88.6 Ų | 88.6 | 55% | 0.553 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.9 | -42.7 | 173.6 | -102 | -88.3 | 0 | 0 | 0 | 112.2 | I64 V65 M66 V70 L71 F72 | I64-F68 HydrophobicContact CG2-CD2 4.21Å; I64-F68 PolarHBondContact O-N 3.21Å; V65-F68 PolarHBondContact O-N 3.24Å; M66-F68 VanDerWaalsContact C-N 3.35Å; M66-F68 PolarHBondContact O-N 2.97Å; F68-V70 PolarHBondContact O-N 3.35Å; F68-L71 PolarHBondContact O-N 3.46Å; F68-F72 AromaticContact CD1-CD2 3.61Å; F68-F72 HydrophobicContact CD1-CD2 3.61Å; F68-F72 AromaticContact CD1-CE2 3.78Å; F68-F72 HydrophobicContact CD1-CE2 3.78Å; F68-F72 AromaticContact CE1-CD2 3.96Å; F68-F72 HydrophobicContact CE1-CD2 3.96Å; F68-F72 AromaticContact CE1-CE2 3.6Å; F68-F72 HydrophobicContact CE1-CE2 3.6Å; F68-F72 WeakPolarHBondContact O-CB 2.86Å; F68-F72 PolarHBondContact O-N 2.78Å |
| 69 | Y | 82.1 | Confident | 79.9 | Confident | 133 Ų | 133 | 90.4 Ų | 90.4 | 52% | 0.522 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 179.5 | -155.2 | -88.4 | 0 | 0 | 0 | 111.6 | V65 M66 I73 K74 | V65-Y69 WeakPolarHBondContact O-CB 3.43Å; V65-Y69 PolarHBondContact O-N 3.35Å; M66-Y69 PolarHBondContact O-N 3.07Å; Y69-I73 HydrophobicContact CD1-CB 4.22Å; Y69-I73 HydrophobicContact CD1-CG2 4.01Å; Y69-I73 HydrophobicContact CD2-CD1 3.59Å; Y69-I73 HydrophobicContact CE1-CB 4.19Å; Y69-I73 HydrophobicContact CE1-CD1 4.35Å; Y69-I73 HydrophobicContact CE1-CG2 3.53Å; Y69-I73 HydrophobicContact CE2-CD1 3.33Å; Y69-I73 HydrophobicContact CE2-CG2 4.45Å; Y69-I73 HydrophobicContact CG-CB 4.45Å; Y69-I73 HydrophobicContact CG-CD1 4.2Å; Y69-I73 WeakPolarHBondContact O-CA 3.48Å; Y69-I73 VanDerWaalsContact O-CB 3.29Å; Y69-I73 WeakPolarHBondContact O-CB 3.21Å; Y69-I73 PolarHBondContact O-N 3.39Å; Y69-K74 PolarHBondContact O-N 3.39Å |
| 70 | V | 78.6 | Confident | 80.1 | Confident | 69 Ų | 69 | 95.2 Ų | 95.2 | 42% | 0.418 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.3 | -31.4 | 177.2 | 173.8 | 0 | 0 | 0 | 0 | 112.2 | M66 A67 F68 K74 | M66-V70 WeakPolarHBondContact O-CB 3.29Å; M66-V70 WeakPolarHBondContact O-CG2 3.45Å; M66-V70 PolarHBondContact O-N 3.08Å; A67-V70 PolarHBondContact O-N 2.81Å; F68-V70 PolarHBondContact O-N 3.35Å; V70-K74 VanDerWaalsContact O-OXT 3.06Å |
| 71 | L | 81 | Confident | 80.3 | Confident | 144 Ų | 144 | 99.3 Ų | 99.3 | 75% | 0.754 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -81.5 | -37.7 | 179.5 | -108.3 | 163.9 | 0 | 0 | 0 | 114 | A67 F68 | A67-L71 WeakPolarHBondContact O-CB 3.27Å; A67-L71 PolarHBondContact O-N 2.8Å; F68-L71 PolarHBondContact O-N 3.46Å |
| 72 | F | 82.9 | Confident | 80.1 | Confident | 163 Ų | 163 | 98.6 Ų | 98.6 | 72% | 0.715 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -100.5 | -30.8 | -173.8 | -87.2 | -86.9 | 0 | 0 | 0 | 114.1 | F68 | F68-F72 AromaticContact CD1-CD2 3.61Å; F68-F72 HydrophobicContact CD1-CD2 3.61Å; F68-F72 AromaticContact CD1-CE2 3.78Å; F68-F72 HydrophobicContact CD1-CE2 3.78Å; F68-F72 AromaticContact CE1-CD2 3.96Å; F68-F72 HydrophobicContact CE1-CD2 3.96Å; F68-F72 AromaticContact CE1-CE2 3.6Å; F68-F72 HydrophobicContact CE1-CE2 3.6Å; F68-F72 WeakPolarHBondContact O-CB 2.86Å; F68-F72 PolarHBondContact O-N 2.78Å |
| 73 | I | 77.4 | Confident | 79.9 | Confident | 111 Ų | 111 | 103.7 Ų | 103.7 | 57% | 0.569 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -30.7 | -174.8 | -81.1 | 165.1 | 0 | 0 | 0 | 112.7 | Y69 | Y69-I73 HydrophobicContact CD1-CB 4.22Å; Y69-I73 HydrophobicContact CD1-CG2 4.01Å; Y69-I73 HydrophobicContact CD2-CD1 3.59Å; Y69-I73 HydrophobicContact CE1-CB 4.19Å; Y69-I73 HydrophobicContact CE1-CD1 4.35Å; Y69-I73 HydrophobicContact CE1-CG2 3.53Å; Y69-I73 HydrophobicContact CE2-CD1 3.33Å; Y69-I73 HydrophobicContact CE2-CG2 4.45Å; Y69-I73 HydrophobicContact CG-CB 4.45Å; Y69-I73 HydrophobicContact CG-CD1 4.2Å; Y69-I73 WeakPolarHBondContact O-CA 3.48Å; Y69-I73 VanDerWaalsContact O-CB 3.29Å; Y69-I73 WeakPolarHBondContact O-CB 3.21Å; Y69-I73 PolarHBondContact O-N 3.39Å |
| 74 | K | 67.6 | Low | 80 | Confident | 170 Ų | 170 | 108.5 Ų | 108.5 | 74% | 0.739 | 54% | 0.54 | S | S | * | . | trans | -104.7 | 0 | -175.5 | -156.5 | 173.8 | 67.1 | 52.2 | 0 | 112.9 | Y69 V70 | Y69-K74 PolarHBondContact O-N 3.39Å; V70-K74 VanDerWaalsContact O-OXT 3.06Å |
Retrieved 74 of 74 residues in 175.4 ms
(Link to these results)