| 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 | F | 50.4 | Low | 61.5 | Low | 240 Ų | 240 | 104.5 Ų | 104.5 | 100% | 1.053 | 60% | 0.602 | S | S | * | * | 0 | -15.5 | 0 | -69 | -82.2 | 0 | 0 | 0 | 115.3 | |||||
| 2 | G | 56 | Low | 61.4 | Low | 56 Ų | 56 | 108.4 Ų | 108.4 | 58% | 0.577 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -77.3 | -30.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | V6 | G2-V6 WeakPolarHBondContact O-CG2 3.49Å |
| 3 | G | 63.7 | Low | 61.7 | Low | 50 Ų | 50 | 103.4 Ų | 103.4 | 52% | 0.515 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -75.2 | -33.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | V6 H7 | G3-V6 PolarHBondContact O-N 3.32Å; G3-H7 PolarHBondContact O-CD2 3.47Å; G3-H7 PolarHBondContact O-N 3Å; G3-H7 VanDerWaalsContact O-N 3.16Å |
| 4 | V | 63.8 | Low | 62 | Low | 111 Ų | 111 | 102 Ų | 102 | 67% | 0.673 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.3 | -40.9 | -176.8 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | V6 H7 V8 | V4-V6 PolarHBondContact O-N 3.2Å; V4-H7 PolarHBondContact O-N 3.44Å; V4-V8 WeakPolarHBondContact O-CG2 3.34Å; V4-V8 PolarHBondContact O-N 3.3Å; V4-V8 VanDerWaalsContact O-N 3.1Å |
| 5 | L | 60.1 | Low | 62.6 | Low | 116 Ų | 116 | 99.8 Ų | 99.8 | 61% | 0.607 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.5 | -40.5 | 176.5 | -97.2 | 142.9 | 0 | 0 | 0 | 112.1 | V8 I9 | L5-V8 PolarHBondContact O-N 3.01Å; L5-I9 WeakPolarHBondContact O-CB 3.03Å; L5-I9 WeakPolarHBondContact O-CD1 3.48Å; L5-I9 WeakPolarHBondContact O-CG1 3.41Å; L5-I9 PolarHBondContact O-N 3.26Å |
| 6 | V | 64.5 | Low | 63.7 | Low | 81 Ų | 81 | 100.2 Ų | 100.2 | 49% | 0.491 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66 | -42.1 | 178.2 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | G2 G3 V4 V8 I9 I10 | G2-V6 WeakPolarHBondContact O-CG2 3.49Å; G3-V6 PolarHBondContact O-N 3.32Å; V4-V6 PolarHBondContact O-N 3.2Å; V6-V8 PolarHBondContact O-N 3.28Å; V6-I9 PolarHBondContact O-N 3.39Å; V6-I10 HydrophobicContact CG1-CD1 3.76Å; V6-I10 WeakPolarHBondContact O-CG1 3.43Å; V6-I10 PolarHBondContact O-N 3.43Å |
| 7 | H | 62.9 | Low | 64.6 | Low | 142 Ų | 142 | 101.5 Ų | 101.5 | 66% | 0.657 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.7 | -41.4 | 175.1 | -92.6 | -84.5 | 0 | 0 | 0 | 112.6 | G3 V4 I10 A11 | G3-H7 PolarHBondContact O-CD2 3.47Å; G3-H7 PolarHBondContact O-N 3Å; G3-H7 VanDerWaalsContact O-N 3.16Å; V4-H7 PolarHBondContact O-N 3.44Å; H7-I10 PolarHBondContact O-N 3.05Å; H7-A11 WeakPolarHBondContact O-CB 3.05Å; H7-A11 PolarHBondContact O-N 3.28Å |
| 8 | V | 66.9 | Low | 65.5 | Low | 86 Ų | 86 | 100.2 Ų | 100.2 | 52% | 0.521 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.2 | -43.2 | 176.2 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | V4 L5 V6 I10 F12 | V4-V8 WeakPolarHBondContact O-CG2 3.34Å; V4-V8 PolarHBondContact O-N 3.3Å; V4-V8 VanDerWaalsContact O-N 3.1Å; L5-V8 PolarHBondContact O-N 3.01Å; V6-V8 PolarHBondContact O-N 3.28Å; V8-I10 VanDerWaalsContact C-N 3.28Å; V8-I10 PolarHBondContact O-N 3.25Å; V8-F12 WeakPolarHBondContact O-CB 3.45Å; V8-F12 PolarHBondContact O-N 3.34Å |
| 9 | I | 64.7 | Low | 66.5 | Low | 109 Ų | 109 | 100 Ų | 100 | 56% | 0.559 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.1 | -26.6 | -180 | -67.2 | 162.9 | 0 | 0 | 0 | 112.7 | L5 V6 P13 | L5-I9 WeakPolarHBondContact O-CB 3.03Å; L5-I9 WeakPolarHBondContact O-CD1 3.48Å; L5-I9 WeakPolarHBondContact O-CG1 3.41Å; L5-I9 PolarHBondContact O-N 3.26Å; V6-I9 PolarHBondContact O-N 3.39Å; I9-P13 WeakPolarHBondContact O-CD 3.45Å; I9-P13 WeakPolarHBondContact O-CG 3.49Å |
| 10 | I | 62.9 | Low | 67.4 | Low | 107 Ų | 107 | 99.1 Ų | 99.1 | 55% | 0.549 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -93.7 | -37.8 | 178.4 | -62.1 | 171.1 | 0 | 0 | 0 | 112.2 | V6 H7 V8 P13 T14 | V6-I10 HydrophobicContact CG1-CD1 3.76Å; V6-I10 WeakPolarHBondContact O-CG1 3.43Å; V6-I10 PolarHBondContact O-N 3.43Å; H7-I10 PolarHBondContact O-N 3.05Å; V8-I10 VanDerWaalsContact C-N 3.28Å; V8-I10 PolarHBondContact O-N 3.25Å; I10-P13 WeakPolarHBondContact O-CD 3.42Å; I10-T14 PolarHBondContact O-OG1 3.03Å; I10-T14 VanDerWaalsContact O-OG1 3.05Å |
| 11 | A | 60.2 | Low | 68.2 | Low | 51 Ų | 51 | 98.4 Ų | 98.4 | 42% | 0.421 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -72.5 | -34.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | H7 T14 S15 | H7-A11 WeakPolarHBondContact O-CB 3.05Å; H7-A11 PolarHBondContact O-N 3.28Å; A11-T14 PolarHBondContact O-N 3.48Å; A11-S15 VanDerWaalsContact O-CB 3.32Å; A11-S15 WeakPolarHBondContact O-CB 3.31Å; A11-S15 PolarHBondContact O-N 2.99Å; A11-S15 PolarHBondContact O-OG 2.97Å |
| 12 | F | 60.2 | Low | 69.9 | Low | 152 Ų | 152 | 92.5 Ų | 92.5 | 67% | 0.667 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.5 | -40.9 | 179.4 | -165.4 | -90.8 | 0 | 0 | 0 | 112.2 | V8 T14 S15 Y16 | V8-F12 WeakPolarHBondContact O-CB 3.45Å; V8-F12 PolarHBondContact O-N 3.34Å; F12-T14 PolarHBondContact O-N 2.94Å; F12-S15 PolarHBondContact O-N 3.32Å; F12-Y16 WeakPolarHBondContact O-CD1 3.43Å; F12-Y16 PolarHBondContact O-N 3.21Å |
| 13 | P | 65.3 | Low | 71.5 | Confident | 43 Ų | 43 | 97.8 Ų | 97.8 | 28% | 0.279 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 171.4 | -29.6 | 34.2 | 0 | 0 | 0 | 115.6 | I9 I10 S15 Y16 K17 | I9-P13 WeakPolarHBondContact O-CD 3.45Å; I9-P13 WeakPolarHBondContact O-CG 3.49Å; I10-P13 WeakPolarHBondContact O-CD 3.42Å; P13-S15 VanDerWaalsContact C-N 3.33Å; P13-Y16 HydrophobicContact CB-CD1 4.23Å; P13-Y16 HydrophobicContact CB-CE1 3.7Å; P13-Y16 HydrophobicContact CG-CE1 4.39Å; P13-Y16 WeakPolarHBondContact O-CD1 3.29Å; P13-Y16 WeakPolarHBondContact O-CE1 3.33Å; P13-K17 WeakPolarHBondContact O-CG 3.28Å; P13-K17 PolarHBondContact O-N 2.96Å; P13-K17 VanDerWaalsContact O-N 3.12Å |
| 14 | T | 65.9 | Low | 72.8 | Confident | 84 Ų | 84 | 99.1 Ų | 99.1 | 52% | 0.515 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.1 | -40.3 | -177 | -51.7 | 0 | 0 | 0 | 0 | 110.1 | I10 A11 F12 K17 V18 | I10-T14 PolarHBondContact O-OG1 3.03Å; I10-T14 VanDerWaalsContact O-OG1 3.05Å; A11-T14 PolarHBondContact O-N 3.48Å; F12-T14 PolarHBondContact O-N 2.94Å; T14-K17 PolarHBondContact O-N 3.03Å; T14-V18 WeakPolarHBondContact O-CG2 3.19Å; T14-V18 PolarHBondContact O-N 3.01Å; T14-V18 VanDerWaalsContact O-N 3.16Å |
| 15 | S | 71.3 | Confident | 74.1 | Confident | 69 Ų | 69 | 97.8 Ų | 97.8 | 48% | 0.483 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.4 | -44.3 | 177.6 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | A11 F12 P13 K17 V18 V19 | A11-S15 VanDerWaalsContact O-CB 3.32Å; A11-S15 WeakPolarHBondContact O-CB 3.31Å; A11-S15 PolarHBondContact O-N 2.99Å; A11-S15 PolarHBondContact O-OG 2.97Å; F12-S15 PolarHBondContact O-N 3.32Å; P13-S15 VanDerWaalsContact C-N 3.33Å; S15-K17 VanDerWaalsContact C-N 3.3Å; S15-K17 PolarHBondContact O-N 3.35Å; S15-V18 PolarHBondContact O-N 3.08Å; S15-V19 VanDerWaalsContact O-CG2 3.32Å; S15-V19 WeakPolarHBondContact O-CG2 3.41Å; S15-V19 PolarHBondContact O-N 3Å |
| 16 | Y | 79.8 | Confident | 75.5 | Confident | 106 Ų | 106 | 100 Ų | 100 | 42% | 0.416 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 177.6 | 85.3 | -117.6 | 0 | 0 | 0 | 111.2 | F12 P13 V18 V19 I20 | F12-Y16 WeakPolarHBondContact O-CD1 3.43Å; F12-Y16 PolarHBondContact O-N 3.21Å; P13-Y16 HydrophobicContact CB-CD1 4.23Å; P13-Y16 HydrophobicContact CB-CE1 3.7Å; P13-Y16 HydrophobicContact CG-CE1 4.39Å; P13-Y16 WeakPolarHBondContact O-CD1 3.29Å; P13-Y16 WeakPolarHBondContact O-CE1 3.33Å; Y16-V18 VanDerWaalsContact C-N 3.33Å; Y16-V18 PolarHBondContact O-N 3.4Å; Y16-V19 PolarHBondContact O-N 2.92Å; Y16-I20 HydrophobicContact CD2-CD1 3.65Å; Y16-I20 HydrophobicContact CE2-CD1 4.3Å; Y16-I20 WeakPolarHBondContact O-CB 3.23Å; Y16-I20 VanDerWaalsContact O-CG1 3.23Å; Y16-I20 WeakPolarHBondContact O-CG1 3.28Å; Y16-I20 PolarHBondContact O-N 3.38Å |
| 17 | K | 79.3 | Confident | 76.8 | Confident | 122 Ų | 122 | 100.8 Ų | 100.8 | 53% | 0.53 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 179.5 | -75.9 | -175.8 | -179.1 | -179.4 | 0 | 110.6 | P13 T14 S15 I20 T21 | P13-K17 WeakPolarHBondContact O-CG 3.28Å; P13-K17 PolarHBondContact O-N 2.96Å; P13-K17 VanDerWaalsContact O-N 3.12Å; T14-K17 PolarHBondContact O-N 3.03Å; S15-K17 VanDerWaalsContact C-N 3.3Å; S15-K17 PolarHBondContact O-N 3.35Å; K17-I20 PolarHBondContact O-N 3.28Å; K17-T21 WeakPolarHBondContact O-CB 3.41Å; K17-T21 PolarHBondContact O-N 3.48Å; K17-T21 PolarHBondContact O-OG1 3.2Å |
| 18 | V | 81.1 | Confident | 78 | Confident | 79 Ų | 79 | 102.2 Ų | 102.2 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 177.7 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | T14 S15 Y16 T21 L22 | T14-V18 WeakPolarHBondContact O-CG2 3.19Å; T14-V18 PolarHBondContact O-N 3.01Å; T14-V18 VanDerWaalsContact O-N 3.16Å; S15-V18 PolarHBondContact O-N 3.08Å; Y16-V18 VanDerWaalsContact C-N 3.33Å; Y16-V18 PolarHBondContact O-N 3.4Å; V18-T21 PolarHBondContact O-N 3.29Å; V18-L22 HydrophobicContact CG1-CD1 3.95Å; V18-L22 HydrophobicContact CG1-CG 4.48Å; V18-L22 WeakPolarHBondContact O-CB 3.46Å; V18-L22 VanDerWaalsContact O-CG 3.28Å; V18-L22 WeakPolarHBondContact O-CG 3.48Å; V18-L22 PolarHBondContact O-N 3.4Å |
| 19 | V | 84.3 | Confident | 79 | Confident | 96 Ų | 96 | 102.3 Ų | 102.3 | 58% | 0.582 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.4 | -43.8 | 179.2 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | S15 Y16 L22 W23 | S15-V19 VanDerWaalsContact O-CG2 3.32Å; S15-V19 WeakPolarHBondContact O-CG2 3.41Å; S15-V19 PolarHBondContact O-N 3Å; Y16-V19 PolarHBondContact O-N 2.92Å; V19-L22 PolarHBondContact O-N 3.23Å; V19-W23 WeakPolarHBondContact O-CB 3.38Å; V19-W23 PolarHBondContact O-N 2.96Å |
| 20 | I | 85.8 | Confident | 79.9 | Confident | 82 Ų | 82 | 99 Ų | 99 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 177.4 | -69 | 175.7 | 0 | 0 | 0 | 110.5 | Y16 K17 L22 W23 I24 | Y16-I20 HydrophobicContact CD2-CD1 3.65Å; Y16-I20 HydrophobicContact CE2-CD1 4.3Å; Y16-I20 WeakPolarHBondContact O-CB 3.23Å; Y16-I20 VanDerWaalsContact O-CG1 3.23Å; Y16-I20 WeakPolarHBondContact O-CG1 3.28Å; Y16-I20 PolarHBondContact O-N 3.38Å; K17-I20 PolarHBondContact O-N 3.28Å; I20-L22 PolarHBondContact O-N 3.01Å; I20-W23 PolarHBondContact O-N 3.26Å; I20-I24 HydrophobicContact CG2-CD1 3.69Å; I20-I24 HydrophobicContact CG2-CG1 4.32Å; I20-I24 WeakPolarHBondContact O-CB 3.32Å; I20-I24 VanDerWaalsContact O-CG1 3.25Å; I20-I24 WeakPolarHBondContact O-CG1 3.31Å; I20-I24 PolarHBondContact O-N 3.45Å |
| 21 | T | 84.2 | Confident | 81 | Confident | 85 Ų | 85 | 98.2 Ų | 98.2 | 52% | 0.521 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 177.7 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | K17 V18 W23 I24 V25 | K17-T21 WeakPolarHBondContact O-CB 3.41Å; K17-T21 PolarHBondContact O-N 3.48Å; K17-T21 PolarHBondContact O-OG1 3.2Å; V18-T21 PolarHBondContact O-N 3.29Å; T21-W23 PolarHBondContact O-N 3.11Å; T21-I24 PolarHBondContact O-N 3.06Å; T21-V25 VanDerWaalsContact O-CG2 3.31Å; T21-V25 WeakPolarHBondContact O-CG2 3.31Å; T21-V25 PolarHBondContact O-N 3.47Å |
| 22 | L | 85.8 | Confident | 82.2 | Confident | 115 Ų | 115 | 101.4 Ų | 101.4 | 60% | 0.602 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.3 | -42.1 | 175.7 | -72.2 | 171.4 | 0 | 0 | 0 | 112 | V18 V19 I20 V25 Y26 | V18-L22 HydrophobicContact CG1-CD1 3.95Å; V18-L22 HydrophobicContact CG1-CG 4.48Å; V18-L22 WeakPolarHBondContact O-CB 3.46Å; V18-L22 VanDerWaalsContact O-CG 3.28Å; V18-L22 WeakPolarHBondContact O-CG 3.48Å; V18-L22 PolarHBondContact O-N 3.4Å; V19-L22 PolarHBondContact O-N 3.23Å; I20-L22 PolarHBondContact O-N 3.01Å; L22-V25 PolarHBondContact O-N 3.01Å; L22-Y26 VanDerWaalsContact O-CB 3.31Å; L22-Y26 WeakPolarHBondContact O-CB 3.32Å; L22-Y26 PolarHBondContact O-N 3.38Å |
| 23 | W | 89.9 | Confident | 83 | Confident | 167 Ų | 167 | 101.8 Ų | 101.8 | 63% | 0.633 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -41.9 | 177.4 | -174.7 | 60.9 | 0 | 0 | 0 | 112.3 | V19 I20 T21 Y26 L27 | V19-W23 WeakPolarHBondContact O-CB 3.38Å; V19-W23 PolarHBondContact O-N 2.96Å; I20-W23 PolarHBondContact O-N 3.26Å; T21-W23 PolarHBondContact O-N 3.11Å; W23-Y26 PolarHBondContact O-N 3.32Å; W23-L27 WeakPolarHBondContact O-CB 3.29Å; W23-L27 PolarHBondContact O-N 3.39Å |
| 24 | I | 90.6 | Very high | 83.4 | Confident | 79 Ų | 79 | 103.9 Ų | 103.9 | 41% | 0.405 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -50.4 | 175 | -69.7 | 168.8 | 0 | 0 | 0 | 110.1 | I20 T21 Y26 L27 W28 | I20-I24 HydrophobicContact CG2-CD1 3.69Å; I20-I24 HydrophobicContact CG2-CG1 4.32Å; I20-I24 WeakPolarHBondContact O-CB 3.32Å; I20-I24 VanDerWaalsContact O-CG1 3.25Å; I20-I24 WeakPolarHBondContact O-CG1 3.31Å; I20-I24 PolarHBondContact O-N 3.45Å; T21-I24 PolarHBondContact O-N 3.06Å; I24-Y26 VanDerWaalsContact C-N 3.31Å; I24-Y26 PolarHBondContact O-N 3.05Å; I24-L27 PolarHBondContact O-N 3.11Å; I24-W28 PolarHBondContact O-N 3.33Å |
| 25 | V | 90.1 | Very high | 83.9 | Confident | 82 Ų | 82 | 104.4 Ų | 104.4 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 179.2 | 172.1 | 0 | 0 | 0 | 0 | 111 | T21 L22 L27 W28 V29 | T21-V25 VanDerWaalsContact O-CG2 3.31Å; T21-V25 WeakPolarHBondContact O-CG2 3.31Å; T21-V25 PolarHBondContact O-N 3.47Å; L22-V25 PolarHBondContact O-N 3.01Å; V25-L27 PolarHBondContact O-N 2.98Å; V25-W28 PolarHBondContact O-N 3.5Å; V25-V29 HydrophobicContact CG1-CG2 4.39Å; V25-V29 WeakPolarHBondContact O-CG2 3.28Å; V25-V29 PolarHBondContact O-N 3.18Å |
| 26 | Y | 90.8 | Very high | 83.6 | Confident | 162 Ų | 162 | 107.2 Ų | 107.2 | 64% | 0.635 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.8 | -43.3 | 177.1 | -179.6 | -101 | 0 | 0 | 0 | 112.5 | L22 W23 I24 V29 S30 | L22-Y26 VanDerWaalsContact O-CB 3.31Å; L22-Y26 WeakPolarHBondContact O-CB 3.32Å; L22-Y26 PolarHBondContact O-N 3.38Å; W23-Y26 PolarHBondContact O-N 3.32Å; I24-Y26 VanDerWaalsContact C-N 3.31Å; I24-Y26 PolarHBondContact O-N 3.05Å; Y26-V29 PolarHBondContact O-N 3.36Å; Y26-S30 VanDerWaalsContact O-CB 3.29Å; Y26-S30 WeakPolarHBondContact O-CB 3.45Å; Y26-S30 PolarHBondContact O-N 3.05Å; Y26-S30 PolarHBondContact O-OG 2.9Å |
| 27 | L | 90.1 | Very high | 82.5 | Confident | 98 Ų | 98 | 112.6 Ų | 112.6 | 51% | 0.513 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 176.6 | -173.6 | 67.4 | 0 | 0 | 0 | 111.4 | W23 I24 V25 S30 L31 | W23-L27 WeakPolarHBondContact O-CB 3.29Å; W23-L27 PolarHBondContact O-N 3.39Å; I24-L27 PolarHBondContact O-N 3.11Å; V25-L27 PolarHBondContact O-N 2.98Å; L27-S30 PolarHBondContact O-N 2.98Å; L27-L31 WeakPolarHBondContact O-CB 3.39Å; L27-L31 PolarHBondContact O-N 3.38Å |
| 28 | W | 89.7 | Confident | 81.6 | Confident | 173 Ų | 173 | 110.6 Ų | 110.6 | 66% | 0.655 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.8 | -44.5 | 176.9 | -87.1 | 98 | 0 | 0 | 0 | 112.7 | I24 V25 S30 L31 L32 | I24-W28 PolarHBondContact O-N 3.33Å; V25-W28 PolarHBondContact O-N 3.5Å; W28-S30 VanDerWaalsContact C-N 3.33Å; W28-S30 PolarHBondContact O-N 3.12Å; W28-L31 PolarHBondContact O-N 3.48Å; W28-L32 VanDerWaalsContact O-CB 3.32Å; W28-L32 WeakPolarHBondContact O-CB 3.32Å; W28-L32 PolarHBondContact O-N 3.37Å |
| 29 | V | 86.8 | Confident | 80.2 | Confident | 87 Ų | 87 | 116.4 Ų | 116.4 | 53% | 0.527 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65 | -39.1 | 176.5 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | V25 Y26 L32 K33 | V25-V29 HydrophobicContact CG1-CG2 4.39Å; V25-V29 WeakPolarHBondContact O-CG2 3.28Å; V25-V29 PolarHBondContact O-N 3.18Å; Y26-V29 PolarHBondContact O-N 3.36Å; V29-L32 PolarHBondContact O-N 3.08Å; V29-K33 VanDerWaalsContact O-CB 3.28Å; V29-K33 WeakPolarHBondContact O-CB 3.42Å; V29-K33 PolarHBondContact O-N 3.25Å |
| 30 | S | 84.4 | Confident | 78.7 | Confident | 40 Ų | 40 | 117.1 Ų | 117.1 | 28% | 0.28 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.4 | -42.8 | 175.7 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | Y26 L27 W28 K33 T34 | Y26-S30 VanDerWaalsContact O-CB 3.29Å; Y26-S30 WeakPolarHBondContact O-CB 3.45Å; Y26-S30 PolarHBondContact O-N 3.05Å; Y26-S30 PolarHBondContact O-OG 2.9Å; L27-S30 PolarHBondContact O-N 2.98Å; W28-S30 VanDerWaalsContact C-N 3.33Å; W28-S30 PolarHBondContact O-N 3.12Å; S30-K33 PolarHBondContact O-N 3.3Å; S30-T34 WeakPolarHBondContact O-CG2 3.1Å; S30-T34 PolarHBondContact O-N 3.34Å; S30-T34 PolarHBondContact O-OG1 3.47Å |
| 31 | L | 84.8 | Confident | 77.2 | Confident | 90 Ų | 90 | 115.9 Ų | 115.9 | 47% | 0.471 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.4 | -42.3 | 174.7 | -171.6 | 71.3 | 0 | 0 | 0 | 111.4 | L27 W28 K33 T34 I35 | L27-L31 WeakPolarHBondContact O-CB 3.39Å; L27-L31 PolarHBondContact O-N 3.38Å; W28-L31 PolarHBondContact O-N 3.48Å; L31-K33 VanDerWaalsContact C-N 3.31Å; L31-K33 PolarHBondContact O-N 2.86Å; L31-T34 WeakPolarHBondContact CA-OG1 3.22Å; L31-T34 PolarHBondContact O-N 3.04Å; L31-T34 PolarHBondContact O-OG1 3.37Å; L31-I35 HydrophobicContact CG-CD1 4.06Å; L31-I35 VanDerWaalsContact O-CG1 3.31Å; L31-I35 WeakPolarHBondContact O-CG1 3.46Å; L31-I35 PolarHBondContact O-N 3.24Å |
| 32 | L | 85 | Confident | 75.8 | Confident | 118 Ų | 118 | 116.9 Ų | 116.9 | 62% | 0.618 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64 | -40 | 177.6 | -162.5 | 72 | 0 | 0 | 0 | 111.1 | W28 V29 I35 F36 | W28-L32 VanDerWaalsContact O-CB 3.32Å; W28-L32 WeakPolarHBondContact O-CB 3.32Å; W28-L32 PolarHBondContact O-N 3.37Å; V29-L32 PolarHBondContact O-N 3.08Å; L32-I35 PolarHBondContact O-N 2.91Å; L32-F36 VanDerWaalsContact O-CB 3.29Å; L32-F36 WeakPolarHBondContact O-CB 3.32Å; L32-F36 PolarHBondContact O-N 3.48Å |
| 33 | K | 78.3 | Confident | 74.4 | Confident | 160 Ų | 160 | 119.7 Ų | 119.7 | 70% | 0.696 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.5 | -41.3 | 176.8 | -170.7 | 164.5 | -179.7 | 165.5 | 0 | 112.1 | V29 S30 L31 F36 W37 | V29-K33 VanDerWaalsContact O-CB 3.28Å; V29-K33 WeakPolarHBondContact O-CB 3.42Å; V29-K33 PolarHBondContact O-N 3.25Å; S30-K33 PolarHBondContact O-N 3.3Å; L31-K33 VanDerWaalsContact C-N 3.31Å; L31-K33 PolarHBondContact O-N 2.86Å; K33-F36 PolarHBondContact O-N 2.86Å; K33-W37 VanDerWaalsContact O-CB 3.23Å; K33-W37 WeakPolarHBondContact O-CB 3.36Å; K33-W37 PolarHBondContact O-N 3.39Å |
| 34 | T | 74.4 | Confident | 72.8 | Confident | 88 Ų | 88 | 113.8 Ų | 113.8 | 54% | 0.54 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.4 | -40.9 | 175.3 | 51.5 | 0 | 0 | 0 | 0 | 112.4 | S30 L31 S38 | S30-T34 WeakPolarHBondContact O-CG2 3.1Å; S30-T34 PolarHBondContact O-N 3.34Å; S30-T34 PolarHBondContact O-OG1 3.47Å; L31-T34 WeakPolarHBondContact CA-OG1 3.22Å; L31-T34 PolarHBondContact O-N 3.04Å; L31-T34 PolarHBondContact O-OG1 3.37Å; T34-S38 VanDerWaalsContact O-CB 3.31Å; T34-S38 WeakPolarHBondContact O-CB 3.49Å; T34-S38 PolarHBondContact O-N 3.33Å |
| 35 | I | 74.8 | Confident | 71.2 | Confident | 94 Ų | 94 | 113.7 Ų | 113.7 | 48% | 0.482 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.4 | -41.9 | 175.7 | -66.2 | 167.6 | 0 | 0 | 0 | 111.4 | L31 L32 S38 R39 | L31-I35 HydrophobicContact CG-CD1 4.06Å; L31-I35 VanDerWaalsContact O-CG1 3.31Å; L31-I35 WeakPolarHBondContact O-CG1 3.46Å; L31-I35 PolarHBondContact O-N 3.24Å; L32-I35 PolarHBondContact O-N 2.91Å; I35-S38 WeakPolarHBondContact O-CB 3.33Å; I35-S38 PolarHBondContact O-N 3.02Å; I35-R39 WeakPolarHBondContact O-CB 3.36Å; I35-R39 PolarHBondContact O-N 3.14Å; I35-R39 VanDerWaalsContact O-N 3.16Å |
| 36 | F | 66.6 | Low | 69.8 | Low | 129 Ų | 129 | 112.1 Ų | 112.1 | 57% | 0.566 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.4 | -37.8 | -178.8 | -156.3 | -104.3 | 0 | 0 | 0 | 111.8 | L32 K33 R39 N40 | L32-F36 VanDerWaalsContact O-CB 3.29Å; L32-F36 WeakPolarHBondContact O-CB 3.32Å; L32-F36 PolarHBondContact O-N 3.48Å; K33-F36 PolarHBondContact O-N 2.86Å; F36-R39 PolarHBondContact O-N 3.16Å; F36-R39 VanDerWaalsContact O-N 3.14Å; F36-N40 WeakPolarHBondContact CD1-ND2 3.15Å; F36-N40 WeakPolarHBondContact CE1-ND2 3.19Å; F36-N40 PolarHBondContact O-N 3.41Å |
| 37 | W | 56.5 | Low | 68.5 | Low | 218 Ų | 218 | 108.4 Ų | 108.4 | 83% | 0.826 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.9 | -38 | 173.1 | -156.5 | 56 | 0 | 0 | 0 | 112 | K33 R39 G41 | K33-W37 VanDerWaalsContact O-CB 3.23Å; K33-W37 WeakPolarHBondContact O-CB 3.36Å; K33-W37 PolarHBondContact O-N 3.39Å; W37-R39 PolarHBondContact O-N 3.01Å; W37-G41 PolarHBondContact O-N 2.96Å |
| 38 | S | 58.5 | Low | 67.2 | Low | 81 Ų | 81 | 108.4 Ų | 108.4 | 57% | 0.566 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.5 | -24.7 | 171.1 | 176.1 | 0 | 0 | 0 | 0 | 113.4 | T34 I35 | T34-S38 VanDerWaalsContact O-CB 3.31Å; T34-S38 WeakPolarHBondContact O-CB 3.49Å; T34-S38 PolarHBondContact O-N 3.33Å; I35-S38 WeakPolarHBondContact O-CB 3.33Å; I35-S38 PolarHBondContact O-N 3.02Å |
| 39 | R | 53.7 | Low | 66.1 | Low | 201 Ų | 201 | 106.7 Ų | 106.7 | 76% | 0.758 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -96 | -25.9 | -175.3 | -171 | 153.6 | 154.3 | 177.9 | -10 | 113.4 | I35 F36 W37 | I35-R39 WeakPolarHBondContact O-CB 3.36Å; I35-R39 PolarHBondContact O-N 3.14Å; I35-R39 VanDerWaalsContact O-N 3.16Å; F36-R39 PolarHBondContact O-N 3.16Å; F36-R39 VanDerWaalsContact O-N 3.14Å; W37-R39 PolarHBondContact O-N 3.01Å |
| 40 | N | 51.8 | Low | 65.2 | Low | 111 Ų | 111 | 107.5 Ų | 107.5 | 59% | 0.594 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -94.1 | -10 | -179.9 | -70.1 | 0.8 | 0 | 0 | 0 | 114.2 | F36 | F36-N40 WeakPolarHBondContact CD1-ND2 3.15Å; F36-N40 WeakPolarHBondContact CE1-ND2 3.19Å; F36-N40 PolarHBondContact O-N 3.41Å |
| 41 | G | 53.4 | Low | 64.6 | Low | 55 Ų | 55 | 113.7 Ų | 113.7 | 57% | 0.567 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -101.8 | 19.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | W37 | W37-G41 PolarHBondContact O-N 2.96Š|
| 42 | H | 55.2 | Low | 63.9 | Low | 106 Ų | 106 | 112 Ų | 112 | 49% | 0.491 | 58% | 0.58 | S | S | . | * | trans | -117.8 | 32.1 | -161.7 | -126.3 | 59.7 | 0 | 0 | 0 | 116.3 | T46 | H42-T46 WeakPolarHBondContact CE1-CG2 3.31Å; H42-T46 WeakPolarHBondContact NE2-CG2 3.42Å | ||
| 43 | D | 56.3 | Low | 63.3 | Low | 175 Ų | 175 | 113.5 Ų | 113.5 | 94% | 0.936 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -112.5 | 25.5 | -177.8 | -78.1 | -19.3 | 0 | 0 | 0 | 115.2 | ||
| 44 | G | 57.5 | Low | 62.7 | Low | 42 Ų | 42 | 113 Ų | 113 | 43% | 0.433 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -171.5 | -31.4 | 169 | 0 | 0 | 0 | 0 | 0 | 117.7 | T46 | G44-T46 PolarHBondContact O-N 2.79Š|
| 45 | S | 57.1 | Low | 62.3 | Low | 78 Ų | 78 | 112.7 Ų | 112.7 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.3 | -31.9 | -174.7 | -179 | 0 | 0 | 0 | 0 | 113.4 | V48 Q49 | S45-V48 PolarHBondContact O-N 3.36Å; S45-Q49 PolarHBondContact O-N 2.89Å |
| 46 | T | 59.6 | Low | 62.3 | Low | 49 Ų | 49 | 113 Ų | 113 | 30% | 0.301 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.7 | -32.2 | -179.5 | 42 | 0 | 0 | 0 | 0 | 114 | H42 G44 V48 Q50 | H42-T46 WeakPolarHBondContact CE1-CG2 3.31Å; H42-T46 WeakPolarHBondContact NE2-CG2 3.42Å; G44-T46 PolarHBondContact O-N 2.79Å; T46-V48 VanDerWaalsContact C-N 3.33Å; T46-Q50 WeakPolarHBondContact O-CB 3.45Å; T46-Q50 PolarHBondContact O-N 3.41Å |
| 47 | D | 64.5 | Low | 62.3 | Low | 83 Ų | 83 | 113.6 Ų | 113.6 | 44% | 0.444 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64 | -43.1 | 173.8 | -171.2 | -103.4 | 0 | 0 | 0 | 110.6 | Q50 R51 | D47-Q50 PolarHBondContact O-N 3.5Å; D47-R51 WeakPolarHBondContact O-CB 3.25Å; D47-R51 PolarHBondContact O-N 3.36Å; D47-R51 IonicContact OD1-CZ 3.5Å; D47-R51 IonicContact OD1-NE 3.52Å; D47-R51 IonicContact OD1-NH2 2.84Å; D47-R51 PolarHBondContact OD1-NH2 2.78Å |
| 48 | V | 63.3 | Low | 62.5 | Low | 99 Ų | 99 | 112.8 Ų | 112.8 | 60% | 0.6 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.3 | -48.1 | 179.1 | 179.9 | 0 | 0 | 0 | 0 | 111 | S45 T46 Q50 R51 A52 | S45-V48 PolarHBondContact O-N 3.36Å; T46-V48 VanDerWaalsContact C-N 3.33Å; V48-Q50 VanDerWaalsContact C-N 3.34Å; V48-Q50 PolarHBondContact O-N 2.93Å; V48-R51 PolarHBondContact O-N 3.23Å; V48-A52 WeakPolarHBondContact O-CB 3.49Å; V48-A52 PolarHBondContact O-N 2.92Å |
| 49 | Q | 65.1 | Low | 62.5 | Low | 136 Ų | 136 | 118 Ų | 118 | 64% | 0.636 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.8 | -37.5 | 177.9 | -71.8 | -155.5 | -17.7 | 0 | 0 | 112.3 | S45 A52 W53 | S45-Q49 PolarHBondContact O-N 2.89Å; Q49-A52 PolarHBondContact O-N 3.22Å; Q49-W53 VanDerWaalsContact O-CB 3.29Å; Q49-W53 WeakPolarHBondContact O-CB 3.36Å; Q49-W53 PolarHBondContact O-N 3.4Å |
| 50 | Q | 68.3 | Low | 62.8 | Low | 104 Ų | 104 | 113.8 Ų | 113.8 | 49% | 0.486 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -72 | -32.8 | 178 | -168.6 | 157.9 | -13.3 | 0 | 0 | 112.1 | T46 D47 V48 R54 | T46-Q50 WeakPolarHBondContact O-CB 3.45Å; T46-Q50 PolarHBondContact O-N 3.41Å; D47-Q50 PolarHBondContact O-N 3.5Å; V48-Q50 VanDerWaalsContact C-N 3.34Å; V48-Q50 PolarHBondContact O-N 2.93Å; Q50-R54 WeakPolarHBondContact O-CB 3.37Å; Q50-R54 WeakPolarHBondContact O-CG 3.42Å; Q50-R54 PolarHBondContact O-N 2.86Å |
| 51 | R | 71.2 | Confident | 63.2 | Low | 170 Ų | 170 | 114 Ų | 114 | 64% | 0.642 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.3 | -44.6 | 171.6 | -168.9 | 177.6 | -62.3 | -163.4 | 2.8 | 111.5 | D47 V48 W53 R54 S55 | D47-R51 WeakPolarHBondContact O-CB 3.25Å; D47-R51 PolarHBondContact O-N 3.36Å; D47-R51 IonicContact OD1-CZ 3.5Å; D47-R51 IonicContact OD1-NE 3.52Å; D47-R51 IonicContact OD1-NH2 2.84Å; D47-R51 PolarHBondContact OD1-NH2 2.78Å; V48-R51 PolarHBondContact O-N 3.23Å; R51-W53 VanDerWaalsContact C-N 3.34Å; R51-W53 PolarHBondContact O-N 3.44Å; R51-R54 PolarHBondContact O-N 2.83Å; R51-S55 PolarHBondContact O-N 2.9Å |
| 52 | A | 71.6 | Confident | 63.5 | Low | 55 Ų | 55 | 113.1 Ų | 113.1 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.5 | -42.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | V48 Q49 S55 N56 | V48-A52 WeakPolarHBondContact O-CB 3.49Å; V48-A52 PolarHBondContact O-N 2.92Å; Q49-A52 PolarHBondContact O-N 3.22Å; A52-S55 PolarHBondContact O-N 3.48Å; A52-N56 PolarHBondContact O-N 3.46Å |
| 53 | W | 71.4 | Confident | 63.6 | Low | 150 Ų | 150 | 113.4 Ų | 113.4 | 57% | 0.568 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.8 | -43.3 | 177.2 | -172.6 | 84.8 | 0 | 0 | 0 | 112.6 | Q49 R51 S55 N56 R57 | Q49-W53 VanDerWaalsContact O-CB 3.29Å; Q49-W53 WeakPolarHBondContact O-CB 3.36Å; Q49-W53 PolarHBondContact O-N 3.4Å; R51-W53 VanDerWaalsContact C-N 3.34Å; R51-W53 PolarHBondContact O-N 3.44Å; W53-S55 VanDerWaalsContact C-N 3.3Å; W53-S55 PolarHBondContact O-N 3.39Å; W53-N56 PolarHBondContact O-N 3.3Å; W53-R57 WeakPolarHBondContact O-CB 3.47Å; W53-R57 PolarHBondContact O-N 3.42Å |
| 54 | R | 66.9 | Low | 63.5 | Low | 150 Ų | 150 | 113.5 Ų | 113.5 | 57% | 0.566 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61 | -38.4 | 174.5 | -79.9 | -176.3 | -179.3 | 143.8 | -0.1 | 112.2 | Q50 R51 R58 | Q50-R54 WeakPolarHBondContact O-CB 3.37Å; Q50-R54 WeakPolarHBondContact O-CG 3.42Å; Q50-R54 PolarHBondContact O-N 2.86Å; R51-R54 PolarHBondContact O-N 2.83Å; R54-R58 PolarHBondContact O-N 3.1Å |
| 55 | S | 65.8 | Low | 63.3 | Low | 80 Ų | 80 | 115.5 Ų | 115.5 | 56% | 0.559 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.2 | -47.1 | 177.2 | -172.6 | 0 | 0 | 0 | 0 | 112 | R51 A52 W53 R57 R58 R59 | R51-S55 PolarHBondContact O-N 2.9Å; A52-S55 PolarHBondContact O-N 3.48Å; W53-S55 VanDerWaalsContact C-N 3.3Å; W53-S55 PolarHBondContact O-N 3.39Å; S55-R57 VanDerWaalsContact C-N 3.3Å; S55-R57 PolarHBondContact O-N 2.93Å; S55-R58 PolarHBondContact O-N 2.9Å; S55-R59 PolarHBondContact O-N 3.27Å |
| 56 | N | 73.1 | Confident | 63.1 | Low | 101 Ų | 101 | 118.1 Ų | 118.1 | 54% | 0.54 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.9 | -32.7 | 178.9 | -107.2 | -32.5 | 0 | 0 | 0 | 113.2 | A52 W53 R59 Q60 | A52-N56 PolarHBondContact O-N 3.46Å; W53-N56 PolarHBondContact O-N 3.3Å; N56-R59 PolarHBondContact O-N 3.49Å; N56-Q60 PolarHBondContact O-N 2.94Å |
| 57 | R | 66.4 | Low | 62.9 | Low | 141 Ų | 141 | 118.9 Ų | 118.9 | 53% | 0.532 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.9 | -46 | 176.7 | -164.7 | 178.1 | -151.6 | 179.7 | 7.4 | 112.4 | W53 S55 R59 Q60 E61 | W53-R57 WeakPolarHBondContact O-CB 3.47Å; W53-R57 PolarHBondContact O-N 3.42Å; S55-R57 VanDerWaalsContact C-N 3.3Å; S55-R57 PolarHBondContact O-N 2.93Å; R57-R59 VanDerWaalsContact C-N 3.32Å; R57-R59 PolarHBondContact O-N 3.39Å; R57-Q60 PolarHBondContact O-N 3.39Å; R57-E61 WeakPolarHBondContact O-CG 3.46Å; R57-E61 PolarHBondContact O-N 3.17Å |
| 58 | R | 61.7 | Low | 62.2 | Low | 202 Ų | 202 | 122.1 Ų | 122.1 | 76% | 0.762 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.2 | -38.4 | 176.7 | -68.3 | -171.9 | -174.8 | -172 | 2.1 | 111.8 | R54 S55 E61 G62 | R54-R58 PolarHBondContact O-N 3.1Å; S55-R58 PolarHBondContact O-N 2.9Å; R58-E61 PolarHBondContact O-N 3.48Å; R58-G62 PolarHBondContact O-N 3.03Å |
| 59 | R | 59.3 | Low | 61.7 | Low | 191 Ų | 191 | 126 Ų | 126 | 72% | 0.721 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.3 | -39 | 176.4 | -131.3 | -177 | -170.9 | -177.8 | 3 | 112.5 | S55 N56 R57 G62 L63 | S55-R59 PolarHBondContact O-N 3.27Å; N56-R59 PolarHBondContact O-N 3.49Å; R57-R59 VanDerWaalsContact C-N 3.32Å; R57-R59 PolarHBondContact O-N 3.39Å; R59-G62 PolarHBondContact O-N 2.92Å; R59-L63 PolarHBondContact O-N 3.48Å; R59-L63 VanDerWaalsContact O-N 3.09Å |
| 60 | Q | 59.7 | Low | 61.3 | Low | 112 Ų | 112 | 125.2 Ų | 125.2 | 52% | 0.523 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.2 | -32.3 | 173.6 | -80.2 | -156.2 | 18.5 | 0 | 0 | 113.4 | N56 R57 G62 L63 R64 | N56-Q60 PolarHBondContact O-N 2.94Å; R57-Q60 PolarHBondContact O-N 3.39Å; Q60-G62 VanDerWaalsContact C-N 3.35Å; Q60-L63 PolarHBondContact O-N 2.95Å; Q60-R64 VanDerWaalsContact O-CB 3.23Å; Q60-R64 WeakPolarHBondContact O-CB 3.39Å; Q60-R64 VanDerWaalsContact O-CG 3.26Å; Q60-R64 WeakPolarHBondContact O-CG 3.23Å; Q60-R64 PolarHBondContact O-N 3.36Å |
| 61 | E | 59.7 | Low | 60.2 | Low | 114 Ų | 114 | 128.3 Ų | 128.3 | 53% | 0.533 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.5 | -39.7 | 174.1 | -74.9 | 165.2 | -174.1 | 0 | 0 | 111.2 | R57 R58 R64 S65 | R57-E61 WeakPolarHBondContact O-CG 3.46Å; R57-E61 PolarHBondContact O-N 3.17Å; R58-E61 PolarHBondContact O-N 3.48Å; E61-R64 PolarHBondContact O-N 3.4Å; E61-S65 PolarHBondContact O-N 3.17Å |
| 62 | G | 60.4 | Low | 59.2 | Low | 37 Ų | 37 | 129.9 Ų | 129.9 | 38% | 0.381 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69.7 | -32 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R58 R59 Q60 S65 I66 | R58-G62 PolarHBondContact O-N 3.03Å; R59-G62 PolarHBondContact O-N 2.92Å; Q60-G62 VanDerWaalsContact C-N 3.35Å; G62-S65 PolarHBondContact O-OG 3.1Å; G62-I66 WeakPolarHBondContact O-CG1 3.03Å |
| 63 | L | 56.4 | Low | 58.1 | Low | 113 Ų | 113 | 138.2 Ų | 138.2 | 59% | 0.592 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -77.7 | -31.8 | 172.4 | -78.6 | 165.9 | 0 | 0 | 0 | 112.6 | R59 Q60 I66 C67 | R59-L63 PolarHBondContact O-N 3.48Å; R59-L63 VanDerWaalsContact O-N 3.09Å; Q60-L63 PolarHBondContact O-N 2.95Å; L63-I66 PolarHBondContact O-N 3.09Å; L63-C67 VanDerWaalsContact O-CB 3.3Å; L63-C67 WeakPolarHBondContact O-CB 3.41Å; L63-C67 PolarHBondContact O-N 3.02Å |
| 64 | R | 54.3 | Low | 57.2 | Low | 176 Ų | 176 | 137.3 Ų | 137.3 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.2 | -31.2 | 176.6 | -84.3 | -179.5 | 177.7 | -156 | 1.3 | 112.7 | Q60 E61 I66 C67 M68 | Q60-R64 VanDerWaalsContact O-CB 3.23Å; Q60-R64 WeakPolarHBondContact O-CB 3.39Å; Q60-R64 VanDerWaalsContact O-CG 3.26Å; Q60-R64 WeakPolarHBondContact O-CG 3.23Å; Q60-R64 PolarHBondContact O-N 3.36Å; E61-R64 PolarHBondContact O-N 3.4Å; R64-I66 VanDerWaalsContact C-N 3.33Å; R64-C67 CarbonylContact O-C 3.52Å; R64-M68 WeakPolarHBondContact O-CG 3.36Å |
| 65 | S | 54.1 | Low | 56.4 | Low | 84 Ų | 84 | 134.4 Ų | 134.4 | 59% | 0.587 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.8 | -31.3 | 174.6 | 58.2 | 0 | 0 | 0 | 0 | 112.4 | E61 G62 | E61-S65 PolarHBondContact O-N 3.17Å; G62-S65 PolarHBondContact O-OG 3.1Å |
| 66 | I | 52.7 | Low | 55.8 | Low | 133 Ų | 133 | 135.5 Ų | 135.5 | 68% | 0.682 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -78.4 | -37.3 | 174.7 | -57.3 | 170 | 0 | 0 | 0 | 110.7 | G62 L63 R64 M68 | G62-I66 WeakPolarHBondContact O-CG1 3.03Å; L63-I66 PolarHBondContact O-N 3.09Å; R64-I66 VanDerWaalsContact C-N 3.33Å; I66-M68 PolarHBondContact O-N 3.44Å |
| 67 | C | 55.3 | Low | 54.9 | Low | 65 Ų | 65 | 139.6 Ų | 139.6 | 44% | 0.439 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.3 | 46.9 | -178.7 | -173.7 | 0 | 0 | 0 | 0 | 113.2 | L63 R64 | L63-C67 VanDerWaalsContact O-CB 3.3Å; L63-C67 WeakPolarHBondContact O-CB 3.41Å; L63-C67 PolarHBondContact O-N 3.02Å; R64-C67 CarbonylContact O-C 3.52Å |
| 68 | M | 49.8 | Very low | 54.5 | Low | 152 Ų | 152 | 144.4 Ų | 144.4 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -12 | 168 | -86.6 | -154.4 | 69.9 | 0 | 0 | 114.3 | R64 I66 T70 | R64-M68 WeakPolarHBondContact O-CG 3.36Å; I66-M68 PolarHBondContact O-N 3.44Å; M68-T70 PolarHBondContact O-N 3.5Å |
| 69 | H | 53.1 | Low | 54.3 | Low | 181 Ų | 181 | 138.1 Ų | 138.1 | 84% | 0.838 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -86 | -0.9 | -171.6 | -77.4 | -70.6 | 0 | 0 | 0 | 116.8 | ||
| 70 | T | 55.8 | Low | 54.4 | Low | 119 Ų | 119 | 135 Ų | 135 | 73% | 0.73 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -139.5 | 7.5 | -173.8 | 52.4 | 0 | 0 | 0 | 0 | 117.6 | M68 K72 | M68-T70 PolarHBondContact O-N 3.5Å; T70-K72 PolarHBondContact O-N 2.74Å |
| 71 | K | 45.9 | Very low | 54.4 | Low | 168 Ų | 168 | 134.8 Ų | 134.8 | 73% | 0.73 | 69% | 0.686 | S | S | * | * | trans | -93.6 | 82.2 | 176.4 | -82.9 | -172.4 | 176.9 | 180 | 0 | 113 | R73 | K71-R73 PolarHBondContact O-N 3.01Å; K71-R73 VanDerWaalsContact O-N 3.15Å | ||
| 72 | K | 49.7 | Very low | 54.5 | Low | 203 Ų | 203 | 135.6 Ų | 135.6 | 88% | 0.883 | 69% | 0.693 | S | S | * | * | trans | -62.1 | 108.1 | 155.9 | -85.8 | -172.5 | 177.6 | 179.1 | 0 | 108.5 | T70 V74 | T70-K72 PolarHBondContact O-N 2.74Å; K72-V74 PolarHBondContact O-N 3.31Å | ||
| 73 | R | 48 | Very low | 54.8 | Low | 231 Ų | 231 | 138.2 Ų | 138.2 | 87% | 0.872 | 70% | 0.701 | S | S | * | * | trans | -81.7 | 97 | 170.5 | -69.3 | -168.1 | -175.1 | -166.5 | 3.6 | 109.4 | K71 | K71-R73 PolarHBondContact O-N 3.01Å; K71-R73 VanDerWaalsContact O-N 3.15Å | ||
| 74 | V | 53.3 | Low | 55.8 | Low | 130 Ų | 130 | 137.9 Ų | 137.9 | 79% | 0.788 | 70% | 0.699 | S | S | * | * | trans | -88.2 | 101.1 | 161.9 | -176.4 | 0 | 0 | 0 | 0 | 107.5 | K72 | K72-V74 PolarHBondContact O-N 3.31Š| ||
| 75 | S | 50.4 | Low | 56.8 | Low | 89 Ų | 89 | 136 Ų | 136 | 62% | 0.622 | 70% | 0.696 | S | S | * | * | trans | -154.8 | 70.5 | 161.5 | 71 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 76 | S | 52.2 | Low | 58 | Low | 103 Ų | 103 | 136.7 Ų | 136.7 | 72% | 0.72 | 69% | 0.693 | S | S | * | * | trans | -95.5 | 57.9 | 169.8 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | R78 | S76-R78 PolarHBondContact O-N 3.32Š| ||
| 77 | F | 55.5 | Low | 59.4 | Low | 187 Ų | 187 | 134.4 Ų | 134.4 | 82% | 0.82 | 69% | 0.685 | S | S | * | * | trans | -77.6 | 109.9 | 161.6 | -85.8 | -83.7 | 0 | 0 | 0 | 108.8 | G79 K81 | F77-G79 VanDerWaalsContact C-N 3.34Å; F77-K81 WeakPolarHBondContact O-CE 3.45Å; F77-K81 PolarHBondContact O-NZ 3.39Å | ||
| 78 | R | 56.7 | Low | 60.9 | Low | 243 Ų | 243 | 134.7 Ų | 134.7 | 92% | 0.917 | 68% | 0.681 | S | S | * | * | trans | -95.9 | 29.7 | -173.5 | -159.1 | -174.7 | -174.9 | -148.3 | 2.2 | 111.8 | S76 | S76-R78 PolarHBondContact O-N 3.32Š| ||
| 79 | G | 58.7 | Low | 62.7 | Low | 70 Ų | 70 | 131.5 Ų | 131.5 | 72% | 0.722 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -100.9 | -26.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | F77 | F77-G79 VanDerWaalsContact C-N 3.34Š|
| 80 | N | 60.6 | Low | 64.3 | Low | 126 Ų | 126 | 128.2 Ų | 128.2 | 67% | 0.674 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -143.3 | 19.6 | -169.2 | -139.6 | 19.2 | 0 | 0 | 0 | 114.7 | ||
| 81 | K | 60.2 | Low | 66 | Low | 107 Ų | 107 | 131.3 Ų | 131.3 | 47% | 0.465 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -79.1 | -18.6 | -171.1 | -72.4 | 177.3 | 175.9 | 170.6 | 0 | 114 | F77 K85 | F77-K81 WeakPolarHBondContact O-CE 3.45Å; F77-K81 PolarHBondContact O-NZ 3.39Å; K81-K85 WeakPolarHBondContact O-CB 3.36Å; K81-K85 VanDerWaalsContact O-CD 3.25Å; K81-K85 WeakPolarHBondContact O-CD 2.98Å; K81-K85 WeakPolarHBondContact O-CG 2.8Å; K81-K85 PolarHBondContact O-N 3.35Å |
| 82 | I | 62.1 | Low | 68 | Low | 131 Ų | 131 | 131.5 Ų | 131.5 | 67% | 0.672 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -77.9 | -57 | -175.7 | -60.9 | 174 | 0 | 0 | 0 | 109.5 | L84 K85 D86 | I82-L84 VanDerWaalsContact C-N 3.35Å; I82-L84 PolarHBondContact O-N 3.46Å; I82-K85 WeakPolarHBondContact O-CB 3.17Å; I82-K85 PolarHBondContact O-N 3.16Å; I82-K85 VanDerWaalsContact O-N 3.09Å; I82-D86 PolarHBondContact O-N 3.43Å; I82-D86 VanDerWaalsContact O-N 3.12Å |
| 83 | V | 65.6 | Low | 69.9 | Low | 91 Ų | 91 | 126.2 Ų | 126.2 | 55% | 0.552 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -58.5 | -42.9 | -179.8 | -176.7 | 0 | 0 | 0 | 0 | 112.5 | K85 D86 V87 | V83-K85 PolarHBondContact O-N 3.4Å; V83-D86 PolarHBondContact O-N 3.12Å; V83-V87 WeakPolarHBondContact O-CG2 3.4Å; V83-V87 PolarHBondContact O-N 2.92Å |
| 84 | L | 76.9 | Confident | 72 | Confident | 106 Ų | 106 | 118.9 Ų | 118.9 | 56% | 0.555 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.1 | -36.7 | 179 | -177.8 | 62 | 0 | 0 | 0 | 112.4 | I82 D86 I88 | I82-L84 VanDerWaalsContact C-N 3.35Å; I82-L84 PolarHBondContact O-N 3.46Å; L84-D86 VanDerWaalsContact C-N 3.33Å; L84-I88 HydrophobicContact CD1-CD1 3.99Å; L84-I88 HydrophobicContact CD1-CG1 4.26Å; L84-I88 HydrophobicContact CG-CD1 3.83Å; L84-I88 HydrophobicContact CG-CG1 4.49Å; L84-I88 WeakPolarHBondContact O-CB 3.4Å; L84-I88 WeakPolarHBondContact O-CD1 3.16Å; L84-I88 WeakPolarHBondContact O-CG1 3.29Å; L84-I88 PolarHBondContact O-N 3.05Å |
| 85 | K | 76.6 | Confident | 73.8 | Confident | 136 Ų | 136 | 116.5 Ų | 116.5 | 59% | 0.591 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.6 | -40.4 | 175.8 | -80.3 | 174 | -176.6 | -174.9 | 0 | 111 | K81 I82 V83 I88 T89 | K81-K85 WeakPolarHBondContact O-CB 3.36Å; K81-K85 VanDerWaalsContact O-CD 3.25Å; K81-K85 WeakPolarHBondContact O-CD 2.98Å; K81-K85 WeakPolarHBondContact O-CG 2.8Å; K81-K85 PolarHBondContact O-N 3.35Å; I82-K85 WeakPolarHBondContact O-CB 3.17Å; I82-K85 PolarHBondContact O-N 3.16Å; I82-K85 VanDerWaalsContact O-N 3.09Å; V83-K85 PolarHBondContact O-N 3.4Å; K85-I88 PolarHBondContact O-N 3.49Å; K85-T89 VanDerWaalsContact O-CB 3.3Å; K85-T89 WeakPolarHBondContact O-CB 3.47Å; K85-T89 PolarHBondContact O-N 2.94Å; K85-T89 PolarHBondContact O-OG1 2.9Å |
| 86 | D | 79 | Confident | 75.8 | Confident | 99 Ų | 99 | 116.2 Ų | 116.2 | 53% | 0.529 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.3 | -42.4 | -179.4 | -63 | -24.9 | 0 | 0 | 0 | 111.3 | I82 V83 L84 I88 T89 L90 | I82-D86 PolarHBondContact O-N 3.43Å; I82-D86 VanDerWaalsContact O-N 3.12Å; V83-D86 PolarHBondContact O-N 3.12Å; L84-D86 VanDerWaalsContact C-N 3.33Å; D86-I88 PolarHBondContact O-N 3.1Å; D86-T89 PolarHBondContact O-N 3.35Å; D86-L90 WeakPolarHBondContact O-CB 3.39Å; D86-L90 PolarHBondContact O-N 2.96Å |
| 87 | V | 82.9 | Confident | 77.7 | Confident | 85 Ų | 85 | 117.1 Ų | 117.1 | 52% | 0.515 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.5 | -43.6 | 175 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | V83 T89 L90 R91 | V83-V87 WeakPolarHBondContact O-CG2 3.4Å; V83-V87 PolarHBondContact O-N 2.92Å; V87-T89 VanDerWaalsContact C-N 3.33Å; V87-L90 PolarHBondContact O-N 3.35Å; V87-R91 WeakPolarHBondContact O-CB 3.01Å; V87-R91 PolarHBondContact O-N 3.45Å |
| 88 | I | 85.3 | Confident | 79.5 | Confident | 71 Ų | 71 | 111.7 Ų | 111.7 | 36% | 0.364 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.7 | -39.7 | 177.5 | -69.1 | 168.2 | 0 | 0 | 0 | 110.8 | L84 K85 D86 R91 R92 | L84-I88 HydrophobicContact CD1-CD1 3.99Å; L84-I88 HydrophobicContact CD1-CG1 4.26Å; L84-I88 HydrophobicContact CG-CD1 3.83Å; L84-I88 HydrophobicContact CG-CG1 4.49Å; L84-I88 WeakPolarHBondContact O-CB 3.4Å; L84-I88 WeakPolarHBondContact O-CD1 3.16Å; L84-I88 WeakPolarHBondContact O-CG1 3.29Å; L84-I88 PolarHBondContact O-N 3.05Å; K85-I88 PolarHBondContact O-N 3.49Å; D86-I88 PolarHBondContact O-N 3.1Å; I88-R91 PolarHBondContact O-N 3.46Å; I88-R92 WeakPolarHBondContact O-CB 3.47Å; I88-R92 WeakPolarHBondContact O-CG 3.34Å; I88-R92 PolarHBondContact O-N 3.16Å |
| 89 | T | 87.4 | Confident | 81.1 | Confident | 85 Ų | 85 | 107.9 Ų | 107.9 | 52% | 0.521 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.8 | -44.6 | 179.4 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | K85 D86 V87 R91 R92 H93 | K85-T89 VanDerWaalsContact O-CB 3.3Å; K85-T89 WeakPolarHBondContact O-CB 3.47Å; K85-T89 PolarHBondContact O-N 2.94Å; K85-T89 PolarHBondContact O-OG1 2.9Å; D86-T89 PolarHBondContact O-N 3.35Å; V87-T89 VanDerWaalsContact C-N 3.33Å; T89-R91 PolarHBondContact O-N 3.43Å; T89-R92 PolarHBondContact O-N 3.5Å; T89-H93 WeakPolarHBondContact O-CB 3.48Å; T89-H93 PolarHBondContact O-N 3.06Å |
| 90 | L | 87.3 | Confident | 82.6 | Confident | 112 Ų | 112 | 107 Ų | 107 | 59% | 0.586 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.3 | -45.7 | 175.9 | -173.8 | 64.6 | 0 | 0 | 0 | 111.3 | D86 V87 R92 H93 V94 | D86-L90 WeakPolarHBondContact O-CB 3.39Å; D86-L90 PolarHBondContact O-N 2.96Å; V87-L90 PolarHBondContact O-N 3.35Å; L90-R92 PolarHBondContact O-N 2.87Å; L90-H93 PolarHBondContact O-N 3.29Å; L90-V94 WeakPolarHBondContact O-CG2 3.4Å; L90-V94 PolarHBondContact O-N 2.84Å |
| 91 | R | 91 | Very high | 84.1 | Confident | 185 Ų | 185 | 108.6 Ų | 108.6 | 70% | 0.698 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.2 | -47.8 | 175.8 | -177.6 | 179.1 | 174.5 | -176.6 | 1.2 | 111.5 | V87 I88 T89 H93 V94 E95 | V87-R91 WeakPolarHBondContact O-CB 3.01Å; V87-R91 PolarHBondContact O-N 3.45Å; I88-R91 PolarHBondContact O-N 3.46Å; T89-R91 PolarHBondContact O-N 3.43Å; R91-H93 VanDerWaalsContact C-N 3.34Å; R91-H93 PolarHBondContact O-N 3.43Å; R91-V94 PolarHBondContact O-N 3.41Å; R91-E95 WeakPolarHBondContact O-CB 3.3Å; R91-E95 PolarHBondContact O-N 3.49Å |
| 92 | R | 89.4 | Confident | 85.5 | Confident | 172 Ų | 172 | 108.5 Ų | 108.5 | 65% | 0.649 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.3 | -44 | 177.7 | -76.2 | 177 | 177.9 | 179.9 | 0.2 | 111.7 | I88 T89 L90 E95 T96 | I88-R92 WeakPolarHBondContact O-CB 3.47Å; I88-R92 WeakPolarHBondContact O-CG 3.34Å; I88-R92 PolarHBondContact O-N 3.16Å; T89-R92 PolarHBondContact O-N 3.5Å; L90-R92 PolarHBondContact O-N 2.87Å; R92-E95 PolarHBondContact O-N 2.9Å; R92-T96 WeakPolarHBondContact O-CG2 3.49Å; R92-T96 PolarHBondContact O-N 2.88Å; R92-T96 PolarHBondContact O-OG1 3.42Å |
| 93 | H | 89.6 | Confident | 86.8 | Confident | 91 Ų | 91 | 111.4 Ų | 111.4 | 42% | 0.421 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 179.9 | 172.6 | -105.9 | 0 | 0 | 0 | 112.9 | T89 L90 R91 E95 T96 K97 | T89-H93 WeakPolarHBondContact O-CB 3.48Å; T89-H93 PolarHBondContact O-N 3.06Å; L90-H93 PolarHBondContact O-N 3.29Å; R91-H93 VanDerWaalsContact C-N 3.34Å; R91-H93 PolarHBondContact O-N 3.43Å; H93-E95 VanDerWaalsContact C-N 3.35Å; H93-T96 PolarHBondContact O-OG1 3.12Å; H93-K97 WeakPolarHBondContact CE1-CE 3.4Å; H93-K97 PolarHBondContact CE1-NZ 3.42Å; H93-K97 WeakPolarHBondContact NE2-CE 3.45Å; H93-K97 PolarHBondContact O-N 3.12Å; H93-K97 VanDerWaalsContact O-N 3.1Å |
| 94 | V | 92.3 | Very high | 87.8 | Confident | 77 Ų | 77 | 114.6 Ų | 114.6 | 47% | 0.467 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 173.8 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | L90 R91 T96 K97 V98 | L90-V94 WeakPolarHBondContact O-CG2 3.4Å; L90-V94 PolarHBondContact O-N 2.84Å; R91-V94 PolarHBondContact O-N 3.41Å; V94-T96 PolarHBondContact O-N 2.95Å; V94-K97 PolarHBondContact O-N 3.43Å; V94-V98 HydrophobicContact CG1-CG2 4.32Å; V94-V98 WeakPolarHBondContact O-CG2 3.46Å; V94-V98 PolarHBondContact O-N 3Å |
| 95 | E | 89.7 | Confident | 88.3 | Confident | 80 Ų | 80 | 118.8 Ų | 118.8 | 37% | 0.374 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63 | -41.1 | -180 | -163.9 | 178.5 | 164.9 | 0 | 0 | 112.2 | R91 R92 H93 V98 R99 | R91-E95 WeakPolarHBondContact O-CB 3.3Å; R91-E95 PolarHBondContact O-N 3.49Å; R92-E95 PolarHBondContact O-N 2.9Å; H93-E95 VanDerWaalsContact C-N 3.35Å; E95-V98 PolarHBondContact O-N 2.91Å; E95-R99 WeakPolarHBondContact O-CB 3.33Å; E95-R99 VanDerWaalsContact O-CG 3.25Å; E95-R99 WeakPolarHBondContact O-CG 3.44Å; E95-R99 PolarHBondContact O-N 2.87Å; E95-R99 IonicContact OE1-CZ 3.37Å; E95-R99 IonicContact OE1-NE 3.34Å; E95-R99 PolarHBondContact OE1-NE 3.42Å; E95-R99 IonicContact OE1-NH2 2.69Å; E95-R99 PolarHBondContact OE1-NH2 3.43Å |
| 96 | T | 92.8 | Very high | 88.6 | Confident | 83 Ų | 83 | 119 Ų | 119 | 51% | 0.509 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.9 | -40.9 | 174.9 | 57.5 | 0 | 0 | 0 | 0 | 112 | R92 H93 V94 V98 R99 A100 | R92-T96 WeakPolarHBondContact O-CG2 3.49Å; R92-T96 PolarHBondContact O-N 2.88Å; R92-T96 PolarHBondContact O-OG1 3.42Å; H93-T96 PolarHBondContact O-OG1 3.12Å; V94-T96 PolarHBondContact O-N 2.95Å; T96-V98 PolarHBondContact O-N 3.43Å; T96-R99 PolarHBondContact O-N 3.42Å; T96-A100 WeakPolarHBondContact O-CB 3.38Å; T96-A100 PolarHBondContact O-N 2.95Å |
| 97 | K | 91.9 | Very high | 88.8 | Confident | 122 Ų | 122 | 117.7 Ų | 117.7 | 53% | 0.53 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 174.7 | -80.9 | -172.1 | 172 | 179.8 | 0 | 112.2 | H93 V94 A100 K101 | H93-K97 WeakPolarHBondContact CE1-CE 3.4Å; H93-K97 PolarHBondContact CE1-NZ 3.42Å; H93-K97 WeakPolarHBondContact NE2-CE 3.45Å; H93-K97 PolarHBondContact O-N 3.12Å; H93-K97 VanDerWaalsContact O-N 3.1Å; V94-K97 PolarHBondContact O-N 3.43Å; K97-A100 PolarHBondContact O-N 3.45Å; K97-K101 WeakPolarHBondContact O-CG 3.25Å; K97-K101 PolarHBondContact O-N 2.88Å |
| 98 | V | 93.5 | Very high | 88.4 | Confident | 74 Ų | 74 | 116.9 Ų | 116.9 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.2 | -47.7 | 177.1 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | V94 E95 T96 A100 K101 I102 | V94-V98 HydrophobicContact CG1-CG2 4.32Å; V94-V98 WeakPolarHBondContact O-CG2 3.46Å; V94-V98 PolarHBondContact O-N 3Å; E95-V98 PolarHBondContact O-N 2.91Å; T96-V98 PolarHBondContact O-N 3.43Å; V98-A100 VanDerWaalsContact C-N 3.32Å; V98-A100 PolarHBondContact O-N 2.96Å; V98-K101 PolarHBondContact O-N 3.34Å; V98-I102 HydrophobicContact CG1-CD1 3.81Å; V98-I102 HydrophobicContact CG1-CG1 4.44Å; V98-I102 WeakPolarHBondContact O-CG1 3.33Å; V98-I102 PolarHBondContact O-N 2.96Å |
| 99 | R | 90.1 | Very high | 88.2 | Confident | 163 Ų | 163 | 117.7 Ų | 117.7 | 62% | 0.615 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.4 | -41 | 176.6 | -73.2 | 175.6 | -177.4 | -147.5 | 3.9 | 112.2 | E95 T96 I102 R103 | E95-R99 WeakPolarHBondContact O-CB 3.33Å; E95-R99 VanDerWaalsContact O-CG 3.25Å; E95-R99 WeakPolarHBondContact O-CG 3.44Å; E95-R99 PolarHBondContact O-N 2.87Å; E95-R99 IonicContact OE1-CZ 3.37Å; E95-R99 IonicContact OE1-NE 3.34Å; E95-R99 PolarHBondContact OE1-NE 3.42Å; E95-R99 IonicContact OE1-NH2 2.69Å; E95-R99 PolarHBondContact OE1-NH2 3.43Å; T96-R99 PolarHBondContact O-N 3.42Å; R99-I102 PolarHBondContact O-N 3.01Å; R99-R103 WeakPolarHBondContact O-CB 3.44Å; R99-R103 PolarHBondContact O-N 3.32Å |
| 100 | A | 91.5 | Very high | 87.5 | Confident | 50 Ų | 50 | 119.6 Ų | 119.6 | 41% | 0.413 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.6 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T96 K97 V98 R103 K104 | T96-A100 WeakPolarHBondContact O-CB 3.38Å; T96-A100 PolarHBondContact O-N 2.95Å; K97-A100 PolarHBondContact O-N 3.45Å; V98-A100 VanDerWaalsContact C-N 3.32Å; V98-A100 PolarHBondContact O-N 2.96Å; A100-R103 PolarHBondContact O-N 3.46Å; A100-K104 WeakPolarHBondContact O-CG 3.45Å; A100-K104 PolarHBondContact O-N 3.41Å |
| 101 | K | 90.6 | Very high | 86.9 | Confident | 160 Ų | 160 | 118.3 Ų | 118.3 | 70% | 0.696 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.5 | -44.7 | 174.4 | -75.3 | -178.5 | 178.1 | -174.9 | 0 | 111.8 | K97 V98 R103 K104 R105 | K97-K101 WeakPolarHBondContact O-CG 3.25Å; K97-K101 PolarHBondContact O-N 2.88Å; V98-K101 PolarHBondContact O-N 3.34Å; K101-R103 PolarHBondContact O-N 2.85Å; K101-K104 PolarHBondContact O-N 2.87Å; K101-R105 WeakPolarHBondContact O-CB 3.23Å; K101-R105 PolarHBondContact O-N 2.81Å |
| 102 | I | 90.3 | Very high | 85.8 | Confident | 106 Ų | 106 | 114.1 Ų | 114.1 | 54% | 0.544 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 176.5 | -67 | 167.5 | 0 | 0 | 0 | 110.7 | V98 R99 R105 K106 | V98-I102 HydrophobicContact CG1-CD1 3.81Å; V98-I102 HydrophobicContact CG1-CG1 4.44Å; V98-I102 WeakPolarHBondContact O-CG1 3.33Å; V98-I102 PolarHBondContact O-N 2.96Å; R99-I102 PolarHBondContact O-N 3.01Å; I102-R105 PolarHBondContact O-N 2.97Å; I102-K106 WeakPolarHBondContact O-CB 3.33Å; I102-K106 PolarHBondContact O-N 3.39Å |
| 103 | R | 89.1 | Confident | 85.1 | Confident | 192 Ų | 192 | 111.4 Ų | 111.4 | 73% | 0.725 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.9 | -46.3 | 178.1 | -172.6 | 177 | 177.3 | 176.4 | -0.9 | 111.6 | R99 A100 K101 R105 K106 V107 | R99-R103 WeakPolarHBondContact O-CB 3.44Å; R99-R103 PolarHBondContact O-N 3.32Å; A100-R103 PolarHBondContact O-N 3.46Å; K101-R103 PolarHBondContact O-N 2.85Å; R103-R105 PolarHBondContact O-N 2.92Å; R103-K106 PolarHBondContact O-N 2.92Å; R103-V107 VanDerWaalsContact O-CG2 3.3Å; R103-V107 WeakPolarHBondContact O-CG2 3.39Å; R103-V107 PolarHBondContact O-N 3.5Å |
| 104 | K | 86.8 | Confident | 84.3 | Confident | 158 Ų | 158 | 113 Ų | 113 | 69% | 0.687 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.7 | -44.2 | 176.3 | -76.3 | -171.3 | 178.1 | -169.9 | 0 | 111.9 | A100 K101 V107 T108 | A100-K104 WeakPolarHBondContact O-CG 3.45Å; A100-K104 PolarHBondContact O-N 3.41Å; K101-K104 PolarHBondContact O-N 2.87Å; K104-V107 PolarHBondContact O-N 3.36Å; K104-T108 WeakPolarHBondContact O-CG2 3.34Å; K104-T108 PolarHBondContact O-N 3.36Å; K104-T108 PolarHBondContact O-OG1 3.34Å |
| 105 | R | 86.8 | Confident | 83.2 | Confident | 193 Ų | 193 | 114 Ų | 114 | 73% | 0.728 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.1 | -45.2 | 176.5 | -164.2 | 175 | -174.9 | -171.4 | 1.6 | 111.5 | K101 I102 R103 V107 T108 T109 | K101-R105 WeakPolarHBondContact O-CB 3.23Å; K101-R105 PolarHBondContact O-N 2.81Å; I102-R105 PolarHBondContact O-N 2.97Å; R103-R105 PolarHBondContact O-N 2.92Å; R105-V107 PolarHBondContact O-N 3.29Å; R105-T108 WeakPolarHBondContact CA-OG1 3.26Å; R105-T108 PolarHBondContact O-N 3.35Å; R105-T108 PolarHBondContact O-OG1 2.94Å; R105-T109 WeakPolarHBondContact O-CB 3.37Å; R105-T109 PolarHBondContact O-N 3.48Å; R105-T109 PolarHBondContact O-OG1 3.3Å |
| 106 | K | 84.1 | Confident | 82.5 | Confident | 141 Ų | 141 | 117.5 Ų | 117.5 | 61% | 0.613 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62 | -41.3 | 177.1 | -170.3 | 174.3 | -176.2 | 175.2 | 0 | 112.5 | I102 R103 K110 | I102-K106 WeakPolarHBondContact O-CB 3.33Å; I102-K106 PolarHBondContact O-N 3.39Å; R103-K106 PolarHBondContact O-N 2.92Å; K106-K110 WeakPolarHBondContact O-CG 3.24Å; K106-K110 PolarHBondContact O-N 3.04Å; K106-K110 VanDerWaalsContact O-N 3.12Å |
| 107 | V | 82.1 | Confident | 81.8 | Confident | 71 Ų | 71 | 117.8 Ų | 117.8 | 43% | 0.43 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.7 | -48.6 | 177.8 | 170.5 | 0 | 0 | 0 | 0 | 111 | R103 K104 R105 T109 K110 I111 | R103-V107 VanDerWaalsContact O-CG2 3.3Å; R103-V107 WeakPolarHBondContact O-CG2 3.39Å; R103-V107 PolarHBondContact O-N 3.5Å; K104-V107 PolarHBondContact O-N 3.36Å; R105-V107 PolarHBondContact O-N 3.29Å; V107-T109 PolarHBondContact O-N 2.9Å; V107-K110 WeakPolarHBondContact O-CB 3.39Å; V107-K110 PolarHBondContact O-N 3.41Å; V107-K110 VanDerWaalsContact O-N 3.12Å; V107-I111 HydrophobicContact CG1-CD1 3.81Å; V107-I111 HydrophobicContact CG1-CG1 4.44Å; V107-I111 WeakPolarHBondContact O-CG1 3.49Å; V107-I111 PolarHBondContact O-N 2.95Å |
| 108 | T | 74.1 | Confident | 80.9 | Confident | 69 Ų | 69 | 115.6 Ų | 115.6 | 42% | 0.423 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 178.5 | 49.1 | 0 | 0 | 0 | 0 | 112.3 | K104 R105 K110 I111 N112 | K104-T108 WeakPolarHBondContact O-CG2 3.34Å; K104-T108 PolarHBondContact O-N 3.36Å; K104-T108 PolarHBondContact O-OG1 3.34Å; R105-T108 WeakPolarHBondContact CA-OG1 3.26Å; R105-T108 PolarHBondContact O-N 3.35Å; R105-T108 PolarHBondContact O-OG1 2.94Å; T108-K110 VanDerWaalsContact C-N 3.32Å; T108-K110 PolarHBondContact O-N 3.38Å; T108-I111 PolarHBondContact O-N 3.01Å; T108-N112 WeakPolarHBondContact O-CB 3.36Å; T108-N112 VanDerWaalsContact O-CG 3.22Å; T108-N112 PolarHBondContact O-N 2.94Å; T108-N112 PolarHBondContact O-ND2 2.91Å |
| 109 | T | 81.1 | Confident | 80.2 | Confident | 87 Ų | 87 | 113.7 Ų | 113.7 | 53% | 0.534 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 173.3 | -55.5 | 0 | 0 | 0 | 0 | 112.3 | R105 V107 H113 | R105-T109 WeakPolarHBondContact O-CB 3.37Å; R105-T109 PolarHBondContact O-N 3.48Å; R105-T109 PolarHBondContact O-OG1 3.3Å; V107-T109 PolarHBondContact O-N 2.9Å; T109-H113 PolarHBondContact O-N 2.97Å; T109-H113 VanDerWaalsContact O-N 3.17Å |
| 110 | K | 72.9 | Confident | 79.9 | Confident | 125 Ų | 125 | 113.8 Ų | 113.8 | 54% | 0.543 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.1 | -46.3 | 175.2 | -77.1 | -174.1 | 172.8 | -162.6 | 0 | 112.1 | K106 V107 T108 N112 H113 H114 | K106-K110 WeakPolarHBondContact O-CG 3.24Å; K106-K110 PolarHBondContact O-N 3.04Å; K106-K110 VanDerWaalsContact O-N 3.12Å; V107-K110 WeakPolarHBondContact O-CB 3.39Å; V107-K110 PolarHBondContact O-N 3.41Å; V107-K110 VanDerWaalsContact O-N 3.12Å; T108-K110 VanDerWaalsContact C-N 3.32Å; T108-K110 PolarHBondContact O-N 3.38Å; K110-N112 VanDerWaalsContact C-N 3.34Å; K110-N112 PolarHBondContact O-N 3.48Å; K110-H113 WeakPolarHBondContact O-CB 3.49Å; K110-H113 PolarHBondContact O-N 3.38Å; K110-H113 VanDerWaalsContact O-N 3.1Å; K110-H114 PolarHBondContact O-CD2 3.01Å; K110-H114 PolarHBondContact O-N 2.92Å |
| 111 | I | 75.5 | Confident | 79.3 | Confident | 86 Ų | 86 | 120.6 Ų | 120.6 | 44% | 0.441 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -56.7 | -49.8 | 178.1 | -66.6 | 167.2 | 0 | 0 | 0 | 109.9 | V107 T108 H113 H114 D115 | V107-I111 HydrophobicContact CG1-CD1 3.81Å; V107-I111 HydrophobicContact CG1-CG1 4.44Å; V107-I111 WeakPolarHBondContact O-CG1 3.49Å; V107-I111 PolarHBondContact O-N 2.95Å; T108-I111 PolarHBondContact O-N 3.01Å; I111-H113 PolarHBondContact O-N 3.36Å; I111-H113 VanDerWaalsContact O-N 3.17Å; I111-H114 PolarHBondContact O-N 3.19Å; I111-H114 VanDerWaalsContact O-N 3.09Å; I111-D115 PolarHBondContact O-N 3.42Å |
| 112 | N | 67.9 | Low | 78.8 | Confident | 97 Ų | 97 | 119.3 Ų | 119.3 | 52% | 0.519 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.6 | -31.3 | 178.1 | -68.4 | -14 | 0 | 0 | 0 | 113.4 | T108 K110 K116 | T108-N112 WeakPolarHBondContact O-CB 3.36Å; T108-N112 VanDerWaalsContact O-CG 3.22Å; T108-N112 PolarHBondContact O-N 2.94Å; T108-N112 PolarHBondContact O-ND2 2.91Å; K110-N112 VanDerWaalsContact C-N 3.34Å; K110-N112 PolarHBondContact O-N 3.48Å; N112-K116 WeakPolarHBondContact O-CG 3.3Å; N112-K116 PolarHBondContact O-N 3.36Å |
| 113 | H | 74.9 | Confident | 78.6 | Confident | 114 Ų | 114 | 118.1 Ų | 118.1 | 53% | 0.528 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -73.9 | -42.5 | 176.4 | -173.3 | 69.9 | 0 | 0 | 0 | 111.9 | T109 K110 I111 D115 K116 I117 | T109-H113 PolarHBondContact O-N 2.97Å; T109-H113 VanDerWaalsContact O-N 3.17Å; K110-H113 WeakPolarHBondContact O-CB 3.49Å; K110-H113 PolarHBondContact O-N 3.38Å; K110-H113 VanDerWaalsContact O-N 3.1Å; I111-H113 PolarHBondContact O-N 3.36Å; I111-H113 VanDerWaalsContact O-N 3.17Å; H113-D115 PolarHBondContact O-N 2.87Å; H113-K116 PolarHBondContact O-N 2.9Å; H113-I117 VanDerWaalsContact NE2-CD1 3.28Å; H113-I117 WeakPolarHBondContact NE2-CD1 3.2Å; H113-I117 WeakPolarHBondContact O-CG1 3.45Å; H113-I117 PolarHBondContact O-N 3.23Å; H113-I117 VanDerWaalsContact O-N 3.12Å |
| 114 | H | 71.6 | Confident | 78.5 | Confident | 124 Ų | 124 | 111.1 Ų | 111.1 | 57% | 0.574 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.3 | -41.3 | 176.6 | -75.8 | -70.8 | 0 | 0 | 0 | 112.1 | K110 I111 K116 I117 N118 | K110-H114 PolarHBondContact O-CD2 3.01Å; K110-H114 PolarHBondContact O-N 2.92Å; I111-H114 PolarHBondContact O-N 3.19Å; I111-H114 VanDerWaalsContact O-N 3.09Å; H114-K116 PolarHBondContact O-N 3.37Å; H114-I117 PolarHBondContact O-N 3.45Å; H114-N118 WeakPolarHBondContact O-CB 3.44Å; H114-N118 PolarHBondContact O-N 3.39Å |
| 115 | D | 70.7 | Confident | 78.7 | Confident | 98 Ų | 98 | 112.4 Ų | 112.4 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 178.8 | -68.8 | -26.2 | 0 | 0 | 0 | 112.3 | I111 H113 I117 N118 G119 | I111-D115 PolarHBondContact O-N 3.42Å; H113-D115 PolarHBondContact O-N 2.87Å; D115-I117 PolarHBondContact O-N 3.34Å; D115-N118 PolarHBondContact O-N 3.34Å; D115-G119 PolarHBondContact O-N 2.69Å |
| 116 | K | 75 | Confident | 78.9 | Confident | 155 Ų | 155 | 110.6 Ų | 110.6 | 67% | 0.674 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.6 | -40.7 | 175.3 | -76 | -179.8 | -179.8 | -174.1 | 0 | 112.3 | N112 H113 H114 K120 | N112-K116 WeakPolarHBondContact O-CG 3.3Å; N112-K116 PolarHBondContact O-N 3.36Å; H113-K116 PolarHBondContact O-N 2.9Å; H114-K116 PolarHBondContact O-N 3.37Å; K116-K120 WeakPolarHBondContact O-CG 3.33Å; K116-K120 PolarHBondContact O-N 3.3Å |
| 117 | I | 76.4 | Confident | 79.2 | Confident | 88 Ų | 88 | 110 Ų | 110 | 45% | 0.451 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68 | -45.1 | 177.2 | -68.8 | 172.3 | 0 | 0 | 0 | 110.8 | H113 H114 D115 G119 K120 R121 | H113-I117 VanDerWaalsContact NE2-CD1 3.28Å; H113-I117 WeakPolarHBondContact NE2-CD1 3.2Å; H113-I117 WeakPolarHBondContact O-CG1 3.45Å; H113-I117 PolarHBondContact O-N 3.23Å; H113-I117 VanDerWaalsContact O-N 3.12Å; H114-I117 PolarHBondContact O-N 3.45Å; D115-I117 PolarHBondContact O-N 3.34Å; I117-G119 VanDerWaalsContact C-N 3.35Å; I117-G119 PolarHBondContact O-N 3.46Å; I117-K120 PolarHBondContact O-N 2.96Å; I117-R121 PolarHBondContact O-N 2.91Å |
| 118 | N | 74.2 | Confident | 79.8 | Confident | 76 Ų | 76 | 113.7 Ų | 113.7 | 41% | 0.406 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 179.9 | -165.8 | 27.4 | 0 | 0 | 0 | 111.7 | H114 D115 R121 K122 | H114-N118 WeakPolarHBondContact O-CB 3.44Å; H114-N118 PolarHBondContact O-N 3.39Å; D115-N118 PolarHBondContact O-N 3.34Å; N118-R121 PolarHBondContact O-N 3.24Å; N118-K122 WeakPolarHBondContact O-CG 3.41Å; N118-K122 PolarHBondContact O-N 3.1Å |
| 119 | G | 79.5 | Confident | 80.8 | Confident | 35 Ų | 35 | 115.7 Ų | 115.7 | 36% | 0.361 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -57 | -51.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D115 I117 R121 K122 T123 | D115-G119 PolarHBondContact O-N 2.69Å; I117-G119 VanDerWaalsContact C-N 3.35Å; I117-G119 PolarHBondContact O-N 3.46Å; G119-R121 VanDerWaalsContact C-N 3.33Å; G119-R121 PolarHBondContact O-N 3.49Å; G119-K122 PolarHBondContact O-N 3.34Å; G119-T123 PolarHBondContact O-N 2.94Å; G119-T123 VanDerWaalsContact O-N 3.08Å; G119-T123 PolarHBondContact O-OG1 3.41Å; G119-T123 VanDerWaalsContact O-OG1 3.11Å |
| 120 | K | 81.9 | Confident | 81.4 | Confident | 165 Ų | 165 | 117.8 Ų | 117.8 | 72% | 0.717 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.1 | -41.8 | 176.5 | -72 | -177 | 178.4 | -170.2 | 0 | 112.6 | K116 I117 K122 T123 A124 | K116-K120 WeakPolarHBondContact O-CG 3.33Å; K116-K120 PolarHBondContact O-N 3.3Å; I117-K120 PolarHBondContact O-N 2.96Å; K120-K122 PolarHBondContact O-N 2.92Å; K120-T123 PolarHBondContact O-N 3.44Å; K120-A124 PolarHBondContact O-N 3.41Å |
| 121 | R | 80.1 | Confident | 82.4 | Confident | 193 Ų | 193 | 117.9 Ų | 117.9 | 73% | 0.728 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.3 | -41 | 178.4 | -169.6 | 178 | -177.3 | 178.1 | 1.2 | 112.2 | I117 N118 G119 R125 | I117-R121 PolarHBondContact O-N 2.91Å; N118-R121 PolarHBondContact O-N 3.24Å; G119-R121 VanDerWaalsContact C-N 3.33Å; G119-R121 PolarHBondContact O-N 3.49Å; R121-R125 WeakPolarHBondContact O-CB 3.3Å; R121-R125 PolarHBondContact O-N 3.44Å |
| 122 | K | 80.6 | Confident | 83.3 | Confident | 133 Ų | 133 | 122.5 Ų | 122.5 | 58% | 0.578 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.1 | -43.4 | 175.8 | -73.2 | 179.3 | -179.3 | -177.4 | 0 | 111.5 | N118 G119 K120 R125 K126 | N118-K122 WeakPolarHBondContact O-CG 3.41Å; N118-K122 PolarHBondContact O-N 3.1Å; G119-K122 PolarHBondContact O-N 3.34Å; K120-K122 PolarHBondContact O-N 2.92Å; K122-R125 PolarHBondContact O-N 3.2Å; K122-K126 PolarHBondContact O-N 3.01Å |
| 123 | T | 84.6 | Confident | 84.5 | Confident | 80 Ų | 80 | 120.2 Ų | 120.2 | 49% | 0.491 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.2 | -46.1 | 177.6 | -52 | 0 | 0 | 0 | 0 | 111.9 | G119 K120 R125 K126 Q127 | G119-T123 PolarHBondContact O-N 2.94Å; G119-T123 VanDerWaalsContact O-N 3.08Å; G119-T123 PolarHBondContact O-OG1 3.41Å; G119-T123 VanDerWaalsContact O-OG1 3.11Å; K120-T123 PolarHBondContact O-N 3.44Å; T123-R125 VanDerWaalsContact C-N 3.32Å; T123-R125 PolarHBondContact O-N 3.5Å; T123-K126 PolarHBondContact O-N 3.33Å; T123-Q127 PolarHBondContact O-N 2.82Å |
| 124 | A | 88.4 | Confident | 85.4 | Confident | 46 Ų | 46 | 118.9 Ų | 118.9 | 38% | 0.38 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.1 | -38.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K120 Q127 K128 | K120-A124 PolarHBondContact O-N 3.41Å; A124-Q127 PolarHBondContact O-N 3.29Å; A124-K128 PolarHBondContact O-N 3.09Å |
| 125 | R | 90.4 | Very high | 86.5 | Confident | 184 Ų | 184 | 118.1 Ų | 118.1 | 69% | 0.694 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.2 | -39.5 | 176.9 | -161.6 | 177.6 | -176.2 | 176.1 | 1 | 111.8 | R121 K122 T123 K128 M129 | R121-R125 WeakPolarHBondContact O-CB 3.3Å; R121-R125 PolarHBondContact O-N 3.44Å; K122-R125 PolarHBondContact O-N 3.2Å; T123-R125 VanDerWaalsContact C-N 3.32Å; T123-R125 PolarHBondContact O-N 3.5Å; R125-K128 PolarHBondContact O-N 2.93Å; R125-M129 HydrophobicContact CG-CE 4.35Å; R125-M129 WeakPolarHBondContact O-CG 3.33Å; R125-M129 PolarHBondContact O-N 3.3Å; R125-M129 VanDerWaalsContact O-N 3.11Å |
| 126 | K | 90.8 | Very high | 87.6 | Confident | 156 Ų | 156 | 118.8 Ų | 118.8 | 68% | 0.678 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.3 | -45.6 | 173.6 | -78 | -172.3 | 175 | -172.2 | 0 | 111.9 | K122 T123 K128 M129 F130 | K122-K126 PolarHBondContact O-N 3.01Å; T123-K126 PolarHBondContact O-N 3.33Å; K126-K128 PolarHBondContact O-N 3.27Å; K126-M129 PolarHBondContact O-N 3.46Å; K126-F130 PolarHBondContact O-N 3.4Å |
| 127 | Q | 91.1 | Very high | 88.3 | Confident | 128 Ų | 128 | 120.1 Ų | 120.1 | 60% | 0.598 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.8 | -43.6 | 177 | -76.3 | 178.7 | -25.5 | 0 | 0 | 112.3 | T123 A124 M129 F130 Q131 | T123-Q127 PolarHBondContact O-N 2.82Å; A124-Q127 PolarHBondContact O-N 3.29Å; Q127-M129 PolarHBondContact O-N 2.96Å; Q127-F130 PolarHBondContact O-N 3.46Å; Q127-Q131 WeakPolarHBondContact O-CG 3.48Å; Q127-Q131 PolarHBondContact O-N 3.47Å |
| 128 | K | 94.6 | Very high | 88.9 | Confident | 148 Ų | 148 | 124 Ų | 124 | 64% | 0.643 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.3 | -39.6 | 176.3 | -74.6 | -173.3 | 178 | -170.7 | 0 | 113.3 | A124 R125 K126 R132 | A124-K128 PolarHBondContact O-N 3.09Å; R125-K128 PolarHBondContact O-N 2.93Å; K126-K128 PolarHBondContact O-N 3.27Å; K128-R132 PolarHBondContact O-N 2.97Å |
| 129 | M | 94.3 | Very high | 89.6 | Confident | 111 Ų | 111 | 127.1 Ų | 127.1 | 55% | 0.547 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.6 | -39.9 | 175.9 | -74.2 | -173 | -68.6 | 0 | 0 | 111.5 | R125 K126 Q127 R132 A133 | R125-M129 HydrophobicContact CG-CE 4.35Å; R125-M129 WeakPolarHBondContact O-CG 3.33Å; R125-M129 PolarHBondContact O-N 3.3Å; R125-M129 VanDerWaalsContact O-N 3.11Å; K126-M129 PolarHBondContact O-N 3.46Å; Q127-M129 PolarHBondContact O-N 2.96Å; M129-R132 PolarHBondContact O-N 3.49Å; M129-A133 WeakPolarHBondContact O-CB 3.09Å; M129-A133 PolarHBondContact O-N 3.36Å |
| 130 | F | 93.1 | Very high | 90 | Very high | 132 Ų | 132 | 127.9 Ų | 127.9 | 58% | 0.579 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.9 | -44.3 | 176.3 | -172.2 | -101 | 0 | 0 | 0 | 112.1 | K126 Q127 A133 Q134 | K126-F130 PolarHBondContact O-N 3.4Å; Q127-F130 PolarHBondContact O-N 3.46Å; F130-A133 PolarHBondContact O-N 2.94Å; F130-Q134 HydrophobicContact CE1-CG 4.22Å; F130-Q134 HydrophobicContact CZ-CG 4.49Å; F130-Q134 PolarHBondContact O-N 3.36Å |
| 131 | Q | 93.9 | Very high | 90.3 | Very high | 126 Ų | 126 | 125.7 Ų | 125.7 | 59% | 0.589 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.5 | -46.5 | 174.3 | -75.4 | 176.8 | -17.8 | 0 | 0 | 112.1 | Q127 A133 Q134 E135 | Q127-Q131 WeakPolarHBondContact O-CG 3.48Å; Q127-Q131 PolarHBondContact O-N 3.47Å; Q131-A133 VanDerWaalsContact C-N 3.32Å; Q131-A133 PolarHBondContact O-N 2.94Å; Q131-Q134 PolarHBondContact O-N 3.44Å; Q131-E135 PolarHBondContact O-N 2.92Å |
| 132 | R | 94.8 | Very high | 90.6 | Very high | 183 Ų | 183 | 121.3 Ų | 121.3 | 69% | 0.691 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.3 | -40.1 | 175.5 | -85 | -174.9 | 175.3 | -175.3 | -3 | 112.8 | K128 M129 Q134 E135 L136 | K128-R132 PolarHBondContact O-N 2.97Å; M129-R132 PolarHBondContact O-N 3.49Å; R132-Q134 VanDerWaalsContact C-N 3.34Å; R132-E135 PolarHBondContact O-N 3.19Å; R132-L136 WeakPolarHBondContact O-CG 3.25Å; R132-L136 PolarHBondContact O-N 3.43Å |
| 133 | A | 93.8 | Very high | 90.5 | Very high | 50 Ų | 50 | 123.8 Ų | 123.8 | 41% | 0.413 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.9 | -38.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M129 F130 Q131 R137 | M129-A133 WeakPolarHBondContact O-CB 3.09Å; M129-A133 PolarHBondContact O-N 3.36Å; F130-A133 PolarHBondContact O-N 2.94Å; Q131-A133 VanDerWaalsContact C-N 3.32Å; Q131-A133 PolarHBondContact O-N 2.94Å; A133-R137 PolarHBondContact O-N 3.48Å; A133-R137 VanDerWaalsContact O-N 3.08Å |
| 134 | Q | 94.3 | Very high | 89.9 | Confident | 86 Ų | 86 | 128.3 Ų | 128.3 | 40% | 0.402 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66 | -40.3 | 173.6 | -75 | -174.6 | -29.2 | 0 | 0 | 112.4 | F130 Q131 R132 R137 R138 | F130-Q134 HydrophobicContact CE1-CG 4.22Å; F130-Q134 HydrophobicContact CZ-CG 4.49Å; F130-Q134 PolarHBondContact O-N 3.36Å; Q131-Q134 PolarHBondContact O-N 3.44Å; R132-Q134 VanDerWaalsContact C-N 3.34Å; Q134-R137 PolarHBondContact O-N 2.96Å; Q134-R138 WeakPolarHBondContact O-CG 3.39Å; Q134-R138 PolarHBondContact O-N 3.39Å |
| 135 | E | 93.8 | Very high | 89 | Confident | 107 Ų | 107 | 134.5 Ų | 134.5 | 50% | 0.5 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.4 | -40.4 | 177.8 | -166.6 | 178.4 | -179.2 | 0 | 0 | 112 | Q131 R132 R138 R139 | Q131-E135 PolarHBondContact O-N 2.92Å; R132-E135 PolarHBondContact O-N 3.19Å; E135-R138 PolarHBondContact O-N 3.03Å; E135-R139 PolarHBondContact O-N 2.85Å |
| 136 | L | 94 | Very high | 87.4 | Confident | 112 Ų | 112 | 133.9 Ų | 133.9 | 59% | 0.586 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.9 | -40.2 | 173.5 | -73.4 | 169.6 | 0 | 0 | 0 | 112.3 | R132 R139 A140 | R132-L136 WeakPolarHBondContact O-CG 3.25Å; R132-L136 PolarHBondContact O-N 3.43Å; L136-R139 PolarHBondContact O-N 3.32Å; L136-A140 PolarHBondContact O-N 3.02Å |
| 137 | R | 89.3 | Confident | 87.3 | Confident | 183 Ų | 183 | 132.8 Ų | 132.8 | 69% | 0.691 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -59.9 | -47.2 | 173.5 | -80.4 | -177.2 | 174.5 | -177.9 | -2.7 | 111.7 | A133 Q134 R139 A140 E141 | A133-R137 PolarHBondContact O-N 3.48Å; A133-R137 VanDerWaalsContact O-N 3.08Å; Q134-R137 PolarHBondContact O-N 2.96Å; R137-R139 PolarHBondContact O-N 3.41Å; R137-A140 PolarHBondContact O-N 3.29Å; R137-E141 WeakPolarHBondContact O-CG 3.46Å; R137-E141 PolarHBondContact O-N 3.12Å |
| 138 | R | 89.4 | Confident | 87.1 | Confident | 170 Ų | 170 | 133 Ų | 133 | 64% | 0.642 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -59.9 | -43.5 | 176.9 | -71.2 | -178 | -172.1 | 176 | 1.4 | 112.3 | Q134 E135 A140 E141 D142 | Q134-R138 WeakPolarHBondContact O-CG 3.39Å; Q134-R138 PolarHBondContact O-N 3.39Å; E135-R138 PolarHBondContact O-N 3.03Å; R138-A140 PolarHBondContact O-N 2.7Å; R138-E141 PolarHBondContact O-N 2.9Å; R138-D142 PolarHBondContact O-N 3.27Å |
| 139 | R | 89.1 | Confident | 86.6 | Confident | 142 Ų | 142 | 132.2 Ų | 132.2 | 54% | 0.536 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.5 | -43.8 | 174.9 | -84.7 | -170.7 | -175 | 150.3 | 6.5 | 112.6 | E135 L136 R137 E141 D142 Y143 | E135-R139 PolarHBondContact O-N 2.85Å; L136-R139 PolarHBondContact O-N 3.32Å; R137-R139 PolarHBondContact O-N 3.41Å; R139-E141 VanDerWaalsContact C-N 3.31Å; R139-E141 PolarHBondContact O-N 3.29Å; R139-D142 PolarHBondContact O-N 3.45Å; R139-Y143 HydrophobicContact CB-CE2 4.46Å; R139-Y143 WeakPolarHBondContact O-CD2 3.11Å; R139-Y143 PolarHBondContact O-N 3.46Å |
| 140 | A | 88.3 | Confident | 86.2 | Confident | 51 Ų | 51 | 133.4 Ų | 133.4 | 42% | 0.421 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.1 | -37.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L136 R137 R138 Y143 H144 | L136-A140 PolarHBondContact O-N 3.02Å; R137-A140 PolarHBondContact O-N 3.29Å; R138-A140 PolarHBondContact O-N 2.7Å; A140-Y143 PolarHBondContact O-N 3.15Å; A140-H144 PolarHBondContact O-N 3.27Å |
| 141 | E | 88 | Confident | 85.8 | Confident | 118 Ų | 118 | 133.5 Ų | 133.5 | 55% | 0.551 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.2 | -39.4 | 173.9 | -71.7 | 168.1 | -162.2 | 0 | 0 | 112.1 | R137 R138 R139 H144 K145 | R137-E141 WeakPolarHBondContact O-CG 3.46Å; R137-E141 PolarHBondContact O-N 3.12Å; R138-E141 PolarHBondContact O-N 2.9Å; R139-E141 VanDerWaalsContact C-N 3.31Å; R139-E141 PolarHBondContact O-N 3.29Å; E141-H144 PolarHBondContact O-N 3.35Å; E141-K145 PolarHBondContact O-N 3.3Å |
| 142 | D | 86.1 | Confident | 85.2 | Confident | 102 Ų | 102 | 134 Ų | 134 | 55% | 0.545 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.4 | -38.8 | 175.2 | -77.4 | -19.4 | 0 | 0 | 0 | 112.3 | R138 R139 H144 K145 | R138-D142 PolarHBondContact O-N 3.27Å; R139-D142 PolarHBondContact O-N 3.45Å; D142-H144 PolarHBondContact O-N 3.09Å; D142-K145 PolarHBondContact O-N 3.27Å |
| 143 | Y | 77.8 | Confident | 84.5 | Confident | 184 Ų | 184 | 130.5 Ų | 130.5 | 72% | 0.722 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.2 | -25.9 | 174.5 | -78 | -64.3 | 0 | 0 | 0 | 113.6 | R139 A140 | R139-Y143 HydrophobicContact CB-CE2 4.46Å; R139-Y143 WeakPolarHBondContact O-CD2 3.11Å; R139-Y143 PolarHBondContact O-N 3.46Å; A140-Y143 PolarHBondContact O-N 3.15Å |
| 144 | H | 73.8 | Confident | 83.8 | Confident | 176 Ų | 176 | 136.7 Ų | 136.7 | 82% | 0.815 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -88.7 | -10 | 177.2 | -96.4 | -56.8 | 0 | 0 | 0 | 113.9 | A140 E141 D142 | A140-H144 PolarHBondContact O-N 3.27Å; E141-H144 PolarHBondContact O-N 3.35Å; D142-H144 PolarHBondContact O-N 3.09Å |
| 145 | K | 68.5 | Low | 83 | Confident | 176 Ų | 176 | 140.9 Ų | 140.9 | 77% | 0.765 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -94.6 | -13.5 | 178.4 | -90.2 | -178.4 | 176 | 175.8 | 0 | 114.2 | E141 D142 | E141-K145 PolarHBondContact O-N 3.3Å; D142-K145 PolarHBondContact O-N 3.27Å |
| 146 | C | 57.5 | Low | 82 | Confident | 170 Ų | 170 | 144 Ų | 144 | 100% | 1.149 | 68% | 0.675 | S | S | * | * | trans | -92.1 | 0 | 170.7 | -59.7 | 0 | 0 | 0 | 0 | 110 |
Retrieved 146 of 146 residues in 36 ms
(Link to these results)