| 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 | 33.5 | Very low | 55.3 | Low | 235 Ų | 235 | 78.1 Ų | 78.1 | 100% | 1.158 | 46% | 0.459 | S | S | * | . | 0 | 135.8 | 0 | -68.6 | 166.5 | 74.7 | 0 | 0 | 108.9 | T3 | M1-T3 PolarHBondContact O-N 2.91Š| |||
| 2 | C | 45.8 | Very low | 56.4 | Low | 98 Ų | 98 | 75.3 Ų | 75.3 | 66% | 0.662 | 46% | 0.46 | S | S | * | . | trans | -72.2 | 86.4 | -158.7 | -60.4 | 0 | 0 | 0 | 0 | 114.4 | G4 S5 C6 | C2-G4 PolarHBondContact O-N 3.15Å; C2-G4 VanDerWaalsContact O-N 3.13Å; C2-S5 PolarHBondContact O-N 3.43Å; C2-S5 VanDerWaalsContact O-N 3.17Å; C2-C6 PolarHBondContact O-N 3.23Å | ||
| 3 | T | 50.7 | Low | 57.7 | Low | 42 Ų | 42 | 74.6 Ų | 74.6 | 26% | 0.258 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -53.6 | -29.2 | 170.8 | 29.6 | 0 | 0 | 0 | 0 | 113 | M1 A7 N180 | M1-T3 PolarHBondContact O-N 2.91Å; T3-A7 WeakPolarHBondContact O-CB 3.3Å; T3-A7 PolarHBondContact O-N 3.42Å; T3-N180 HydrophobicContact CG2-CB 4.23Å |
| 4 | G | 49.5 | Very low | 58.7 | Low | 50 Ų | 50 | 69.5 Ų | 69.5 | 52% | 0.515 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.4 | -37.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | C2 R8 | C2-G4 PolarHBondContact O-N 3.15Å; C2-G4 VanDerWaalsContact O-N 3.13Å; G4-R8 PolarHBondContact O-N 3.18Å |
| 5 | S | 51.6 | Low | 59.7 | Low | 82 Ų | 82 | 68.7 Ų | 68.7 | 57% | 0.573 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -73.2 | -36.6 | 176.4 | -87.2 | 0 | 0 | 0 | 0 | 111.8 | C2 R8 C9 | C2-S5 PolarHBondContact O-N 3.43Å; C2-S5 VanDerWaalsContact O-N 3.17Å; S5-R8 WeakPolarHBondContact O-CB 3.17Å; S5-R8 PolarHBondContact O-N 3.26Å; S5-C9 PolarHBondContact O-N 3.37Å |
| 6 | C | 58.3 | Low | 60.9 | Low | 52 Ų | 52 | 67.6 Ų | 67.6 | 35% | 0.351 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65 | -44.6 | 175.2 | -172 | 0 | 0 | 0 | 0 | 111.4 | C2 R8 C9 L10 | C2-C6 PolarHBondContact O-N 3.23Å; C6-R8 PolarHBondContact O-N 3.29Å; C6-C9 PolarHBondContact O-N 3.47Å; C6-L10 VanDerWaalsContact O-CG 3.29Å; C6-L10 WeakPolarHBondContact O-CG 3.34Å; C6-L10 PolarHBondContact O-N 3.36Å |
| 7 | A | 59.2 | Low | 61.9 | Low | 14 Ų | 14 | 65.6 Ų | 65.6 | 12% | 0.116 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.8 | -33.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T3 L10 G11 | T3-A7 WeakPolarHBondContact O-CB 3.3Å; T3-A7 PolarHBondContact O-N 3.42Å; A7-L10 PolarHBondContact O-N 2.95Å; A7-G11 PolarHBondContact O-N 2.77Å |
| 8 | R | 60.3 | Low | 62.6 | Low | 168 Ų | 168 | 62.8 Ų | 62.8 | 63% | 0.634 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66.5 | -41.8 | 177.1 | -162.8 | 177.6 | -176.4 | 129.1 | -1.9 | 112.3 | G4 S5 C6 G12 | G4-R8 PolarHBondContact O-N 3.18Å; S5-R8 WeakPolarHBondContact O-CB 3.17Å; S5-R8 PolarHBondContact O-N 3.26Å; C6-R8 PolarHBondContact O-N 3.29Å; R8-G12 PolarHBondContact O-N 3.18Å |
| 9 | C | 66.2 | Low | 63.4 | Low | 94 Ų | 94 | 64.9 Ų | 64.9 | 64% | 0.635 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -67.1 | -44.5 | 174.1 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | S5 C6 G12 T13 | S5-C9 PolarHBondContact O-N 3.37Å; C6-C9 PolarHBondContact O-N 3.47Å; C9-G12 PolarHBondContact O-N 3.47Å; C9-T13 PolarHBondContact O-N 3.42Å; C9-T13 VanDerWaalsContact O-N 3.1Å; C9-T13 PolarHBondContact O-OG1 3.18Å; C9-T13 VanDerWaalsContact O-OG1 3.08Å |
| 10 | L | 67.8 | Low | 64.3 | Low | 19 Ų | 19 | 68.4 Ų | 68.4 | 10% | 0.099 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.6 | -46.8 | -179.8 | -68.3 | 170.9 | 0 | 0 | 0 | 112.1 | C6 A7 G12 T13 L14 L173 I176 | C6-L10 VanDerWaalsContact O-CG 3.29Å; C6-L10 WeakPolarHBondContact O-CG 3.34Å; C6-L10 PolarHBondContact O-N 3.36Å; A7-L10 PolarHBondContact O-N 2.95Å; L10-G12 VanDerWaalsContact C-N 3.34Å; L10-G12 PolarHBondContact O-N 2.96Å; L10-T13 PolarHBondContact O-N 3.18Å; L10-T13 PolarHBondContact O-OG1 3.37Å; L10-L14 PolarHBondContact O-N 3.06Å; L10-L173 HydrophobicContact CD2-CD2 3.53Å; L10-I176 HydrophobicContact CD1-CG2 3.93Å; L10-I176 HydrophobicContact CD2-CG2 4.44Å |
| 11 | G | 65.9 | Low | 64.8 | Low | 5 Ų | 5 | 65.1 Ų | 65.1 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A7 T13 L14 I15 | A7-G11 PolarHBondContact O-N 2.77Å; G11-T13 PolarHBondContact O-N 3.34Å; G11-L14 PolarHBondContact O-N 3.06Å; G11-I15 WeakPolarHBondContact O-CD1 3.29Å; G11-I15 WeakPolarHBondContact O-CG1 3.28Å; G11-I15 PolarHBondContact O-N 3.06Å |
| 12 | G | 68.3 | Low | 66.9 | Low | 45 Ų | 45 | 58.1 Ų | 58.1 | 46% | 0.464 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.3 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R8 C9 L10 P16 | R8-G12 PolarHBondContact O-N 3.18Å; C9-G12 PolarHBondContact O-N 3.47Å; L10-G12 VanDerWaalsContact C-N 3.34Å; L10-G12 PolarHBondContact O-N 2.96Å; G12-P16 WeakPolarHBondContact O-CD 3.32Å |
| 13 | T | 72.9 | Confident | 68.5 | Low | 66 Ų | 66 | 57.8 Ų | 57.8 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -75.1 | -30.9 | 175 | 39.6 | 0 | 0 | 0 | 0 | 113.7 | C9 L10 G11 I15 P16 L17 | C9-T13 PolarHBondContact O-N 3.42Å; C9-T13 VanDerWaalsContact O-N 3.1Å; C9-T13 PolarHBondContact O-OG1 3.18Å; C9-T13 VanDerWaalsContact O-OG1 3.08Å; L10-T13 PolarHBondContact O-N 3.18Å; L10-T13 PolarHBondContact O-OG1 3.37Å; G11-T13 PolarHBondContact O-N 3.34Å; T13-I15 PolarHBondContact O-N 3.27Å; T13-P16 VanDerWaalsContact O-CD 3.31Å; T13-P16 WeakPolarHBondContact O-CD 3.42Å; T13-P16 WeakPolarHBondContact O-CG 3.38Å; T13-L17 VanDerWaalsContact O-CD1 3.3Å; T13-L17 WeakPolarHBondContact O-CD1 3.3Å |
| 14 | L | 71.6 | Confident | 69.8 | Low | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.7 | -34.3 | -178.2 | -120.1 | 106.6 | 0 | 0 | 0 | 112.9 | L10 G11 L17 A18 M59 F66 L173 | L10-L14 PolarHBondContact O-N 3.06Å; G11-L14 PolarHBondContact O-N 3.06Å; L14-L17 PolarHBondContact O-N 3.35Å; L14-A18 WeakPolarHBondContact O-CB 3.05Å; L14-A18 PolarHBondContact O-N 2.92Å; L14-M59 HydrophobicContact CD2-CE 3.65Å; L14-F66 HydrophobicContact CD1-CE2 4.48Å; L14-F66 HydrophobicContact CD2-CD2 4.28Å; L14-F66 HydrophobicContact CD2-CE2 3.99Å; L14-L173 HydrophobicContact CD1-CB 3.62Å; L14-L173 HydrophobicContact CD1-CD1 3.9Å; L14-L173 HydrophobicContact CD1-CG 4.4Å |
| 15 | I | 74.2 | Confident | 71.1 | Confident | 57 Ų | 57 | 54.3 Ų | 54.3 | 29% | 0.292 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.7 | -56 | -177.7 | -66.5 | 159.2 | 0 | 0 | 0 | 112.8 | G11 T13 L17 A18 L19 L67 | G11-I15 WeakPolarHBondContact O-CD1 3.29Å; G11-I15 WeakPolarHBondContact O-CG1 3.28Å; G11-I15 PolarHBondContact O-N 3.06Å; T13-I15 PolarHBondContact O-N 3.27Å; I15-L17 VanDerWaalsContact C-N 3.28Å; I15-L17 PolarHBondContact O-N 3.27Å; I15-A18 PolarHBondContact O-N 3.28Å; I15-L19 HydrophobicContact CG2-CD1 4.32Å; I15-L19 WeakPolarHBondContact O-CG 3.39Å; I15-L19 PolarHBondContact O-N 3.28Å; I15-L67 HydrophobicContact CD1-CD1 3.87Å |
| 16 | P | 78.3 | Confident | 72.2 | Confident | 51 Ų | 51 | 53.5 Ų | 53.5 | 33% | 0.331 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 178.7 | 24.1 | -33.5 | 0 | 0 | 0 | 111.4 | G12 T13 A18 L19 F20 | G12-P16 WeakPolarHBondContact O-CD 3.32Å; T13-P16 VanDerWaalsContact O-CD 3.31Å; T13-P16 WeakPolarHBondContact O-CD 3.42Å; T13-P16 WeakPolarHBondContact O-CG 3.38Å; P16-A18 PolarHBondContact O-N 3.46Å; P16-L19 PolarHBondContact O-N 2.76Å; P16-F20 WeakPolarHBondContact O-CD2 3.35Å; P16-F20 PolarHBondContact O-N 3.48Å |
| 17 | L | 77.9 | Confident | 73.1 | Confident | 35 Ų | 35 | 54.4 Ų | 54.4 | 18% | 0.183 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 176.7 | -93.4 | 73.8 | 0 | 0 | 0 | 112.3 | T13 L14 I15 F20 G21 V166 I169 Q170 L173 | T13-L17 VanDerWaalsContact O-CD1 3.3Å; T13-L17 WeakPolarHBondContact O-CD1 3.3Å; L14-L17 PolarHBondContact O-N 3.35Å; I15-L17 VanDerWaalsContact C-N 3.28Å; I15-L17 PolarHBondContact O-N 3.27Å; L17-F20 PolarHBondContact O-N 3.44Å; L17-G21 PolarHBondContact O-N 3.34Å; L17-V166 HydrophobicContact CB-CG1 4.28Å; L17-V166 HydrophobicContact CG-CG1 4.44Å; L17-V166 WeakPolarHBondContact O-CG1 3.38Å; L17-I169 HydrophobicContact CD2-CB 3.75Å; L17-I169 HydrophobicContact CD2-CD1 4.42Å; L17-I169 HydrophobicContact CD2-CG2 3.43Å; L17-I169 VanDerWaalsContact CD2-CG2 3.43Å; L17-Q170 HydrophobicContact CB-CG 4.41Å; L17-Q170 HydrophobicContact CD2-CG 4.25Å; L17-L173 HydrophobicContact CD2-CD1 4.48Å |
| 18 | A | 74.8 | Confident | 73.8 | Confident | 15 Ų | 15 | 55.6 Ų | 55.6 | 12% | 0.124 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L14 I15 P16 G21 F22 | L14-A18 WeakPolarHBondContact O-CB 3.05Å; L14-A18 PolarHBondContact O-N 2.92Å; I15-A18 PolarHBondContact O-N 3.28Å; P16-A18 PolarHBondContact O-N 3.46Å; A18-G21 PolarHBondContact O-N 2.97Å; A18-F22 WeakPolarHBondContact O-CB 3.14Å; A18-F22 PolarHBondContact O-N 2.9Å |
| 19 | L | 78.7 | Confident | 74.2 | Confident | 103 Ų | 103 | 52.5 Ų | 52.5 | 54% | 0.539 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 174.7 | -70.5 | 173 | 0 | 0 | 0 | 112 | I15 P16 F22 L23 | I15-L19 HydrophobicContact CG2-CD1 4.32Å; I15-L19 WeakPolarHBondContact O-CG 3.39Å; I15-L19 PolarHBondContact O-N 3.28Å; P16-L19 PolarHBondContact O-N 2.76Å; L19-F22 PolarHBondContact O-N 3.4Å; L19-L23 WeakPolarHBondContact O-CG 3.23Å; L19-L23 PolarHBondContact O-N 3.17Å |
| 20 | F | 80.3 | Confident | 74.4 | Confident | 133 Ų | 133 | 52.6 Ų | 52.6 | 58% | 0.583 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.2 | -44 | 175.9 | -82.9 | -66.6 | 0 | 0 | 0 | 112 | P16 L17 L23 A24 | P16-F20 WeakPolarHBondContact O-CD2 3.35Å; P16-F20 PolarHBondContact O-N 3.48Å; L17-F20 PolarHBondContact O-N 3.44Å; F20-L23 PolarHBondContact O-N 2.65Å; F20-A24 WeakPolarHBondContact O-CB 3.26Å; F20-A24 PolarHBondContact O-N 2.93Å |
| 21 | G | 75.8 | Confident | 74.2 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.7 | -46 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L17 A18 A24 N25 | L17-G21 PolarHBondContact O-N 3.34Å; A18-G21 PolarHBondContact O-N 2.97Å; G21-A24 PolarHBondContact O-N 3.36Å; G21-N25 PolarHBondContact O-N 2.02Å; G21-N25 PolarHBondContact O-ND2 3.3Å |
| 22 | F | 76 | Confident | 74 | Confident | 88 Ų | 88 | 54.2 Ų | 54.2 | 39% | 0.386 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 177.4 | -178.7 | -105.9 | 0 | 0 | 0 | 112.6 | A18 L19 N25 I26 | A18-F22 WeakPolarHBondContact O-CB 3.14Å; A18-F22 PolarHBondContact O-N 2.9Å; L19-F22 PolarHBondContact O-N 3.4Å; F22-N25 PolarHBondContact O-N 3.08Å; F22-I26 HydrophobicContact CD1-CD1 3.83Å; F22-I26 HydrophobicContact CE1-CD1 3.31Å; F22-I26 HydrophobicContact CE1-CG1 4.38Å; F22-I26 HydrophobicContact CE2-CD1 4.37Å; F22-I26 HydrophobicContact CZ-CD1 3.62Å; F22-I26 HydrophobicContact CZ-CG1 4.41Å; F22-I26 PolarHBondContact O-N 3.41Å; F22-I26 VanDerWaalsContact O-N 3.09Å |
| 23 | L | 79.8 | Confident | 73.6 | Confident | 92 Ų | 92 | 54.5 Ų | 54.5 | 48% | 0.482 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 177.2 | -70.7 | 172.6 | 0 | 0 | 0 | 111.8 | L19 F20 N25 I26 L27 | L19-L23 WeakPolarHBondContact O-CG 3.23Å; L19-L23 PolarHBondContact O-N 3.17Å; F20-L23 PolarHBondContact O-N 2.65Å; L23-N25 VanDerWaalsContact C-N 3.29Å; L23-N25 PolarHBondContact O-N 3.37Å; L23-I26 PolarHBondContact O-N 2.99Å; L23-I26 VanDerWaalsContact O-N 3.12Å; L23-L27 WeakPolarHBondContact O-CD1 2.74Å; L23-L27 PolarHBondContact O-N 2.97Å |
| 24 | A | 78.3 | Confident | 73 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 7% | 0.066 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61 | -38 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F20 G21 L27 L28 L159 L163 | F20-A24 WeakPolarHBondContact O-CB 3.26Å; F20-A24 PolarHBondContact O-N 2.93Å; G21-A24 PolarHBondContact O-N 3.36Å; A24-L27 PolarHBondContact O-N 3.24Å; A24-L28 PolarHBondContact O-N 3.08Å; A24-L28 VanDerWaalsContact O-N 3.12Å; A24-L159 HydrophobicContact CB-CD2 4.25Å; A24-L163 HydrophobicContact CB-CD2 3.83Å; A24-L163 HydrophobicContact CB-CG 4.03Å |
| 25 | N | 76.4 | Confident | 72.3 | Confident | 10 Ų | 10 | 62.9 Ų | 62.9 | 5% | 0.053 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 173.3 | -79.7 | -84.9 | 0 | 0 | 0 | 112.5 | G21 F22 L23 L28 F29 G51 I52 S55 L163 | G21-N25 PolarHBondContact O-N 2.02Å; G21-N25 PolarHBondContact O-ND2 3.3Å; F22-N25 PolarHBondContact O-N 3.08Å; L23-N25 VanDerWaalsContact C-N 3.29Å; L23-N25 PolarHBondContact O-N 3.37Å; N25-L28 WeakPolarHBondContact O-CB 3.4Å; N25-L28 PolarHBondContact O-N 3.02Å; N25-F29 WeakPolarHBondContact O-CD2 3.21Å; N25-G51 WeakPolarHBondContact OD1-CA 3.28Å; N25-G51 PolarHBondContact OD1-O 2.84Å; N25-I52 HydrophobicContact CB-CG1 4.09Å; N25-I52 PolarHBondContact OD1-N 3.07Å; N25-S55 PolarHBondContact ND2-OG 3.17Å; N25-L163 WeakPolarHBondContact ND2-CD2 3.29Å |
| 26 | I | 75.7 | Confident | 71.3 | Confident | 66 Ų | 66 | 63.9 Ų | 63.9 | 34% | 0.338 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 175.6 | -68.8 | 172.5 | 0 | 0 | 0 | 110.6 | F22 L23 L28 F29 F30 | F22-I26 HydrophobicContact CD1-CD1 3.83Å; F22-I26 HydrophobicContact CE1-CD1 3.31Å; F22-I26 HydrophobicContact CE1-CG1 4.38Å; F22-I26 HydrophobicContact CE2-CD1 4.37Å; F22-I26 HydrophobicContact CZ-CD1 3.62Å; F22-I26 HydrophobicContact CZ-CG1 4.41Å; F22-I26 PolarHBondContact O-N 3.41Å; F22-I26 VanDerWaalsContact O-N 3.09Å; L23-I26 PolarHBondContact O-N 2.99Å; L23-I26 VanDerWaalsContact O-N 3.12Å; I26-L28 PolarHBondContact O-N 3.3Å; I26-F29 WeakPolarHBondContact O-CB 3.49Å; I26-F29 PolarHBondContact O-N 2.97Å; I26-F29 VanDerWaalsContact O-N 3.11Å; I26-F30 HydrophobicContact CG2-CE2 4.47Å |
| 27 | L | 77.2 | Confident | 69.8 | Low | 70 Ų | 70 | 68.6 Ų | 68.6 | 37% | 0.366 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.6 | -26.7 | 179 | -90.9 | 71.8 | 0 | 0 | 0 | 112.4 | L23 A24 F29 F30 W155 L159 | L23-L27 WeakPolarHBondContact O-CD1 2.74Å; L23-L27 PolarHBondContact O-N 2.97Å; A24-L27 PolarHBondContact O-N 3.24Å; L27-F29 PolarHBondContact O-N 3.39Å; L27-F30 PolarHBondContact O-N 3.14Å; L27-F30 VanDerWaalsContact O-N 3.1Å; L27-W155 HydrophobicContact CB-CZ2 4.05Å; L27-W155 HydrophobicContact CD2-CH2 4Å; L27-W155 HydrophobicContact CD2-CZ2 4.13Å; L27-W155 HydrophobicContact CG-CH2 4.48Å; L27-W155 HydrophobicContact CG-CZ2 4.21Å; L27-W155 PolarHBondContact O-NE1 3.45Å; L27-L159 HydrophobicContact CB-CD1 3.95Å; L27-L159 HydrophobicContact CB-CD2 3.99Å; L27-L159 HydrophobicContact CD2-CD2 4.31Å |
| 28 | L | 73.4 | Confident | 68.3 | Low | 40 Ų | 40 | 72.7 Ų | 72.7 | 21% | 0.209 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.4 | -23.1 | 176.9 | -129.6 | 142.7 | 0 | 0 | 0 | 112.7 | A24 N25 I26 F30 L159 F160 L163 | A24-L28 PolarHBondContact O-N 3.08Å; A24-L28 VanDerWaalsContact O-N 3.12Å; N25-L28 WeakPolarHBondContact O-CB 3.4Å; N25-L28 PolarHBondContact O-N 3.02Å; I26-L28 PolarHBondContact O-N 3.3Å; L28-F30 PolarHBondContact O-N 3.08Å; L28-L159 HydrophobicContact CB-CD1 4.35Å; L28-L159 HydrophobicContact CD1-CB 3.89Å; L28-L159 HydrophobicContact CG-CB 4.38Å; L28-L159 HydrophobicContact CG-CD1 4.16Å; L28-F160 HydrophobicContact CD1-CD1 3.79Å; L28-F160 HydrophobicContact CD1-CD2 4.5Å; L28-F160 HydrophobicContact CD1-CE1 3.55Å; L28-F160 HydrophobicContact CD1-CE2 4.28Å; L28-F160 HydrophobicContact CD1-CG 4.26Å; L28-F160 HydrophobicContact CD1-CZ 3.82Å; L28-F160 HydrophobicContact CD2-CE1 3.89Å; L28-F160 HydrophobicContact CD2-CE2 3.87Å; L28-F160 HydrophobicContact CD2-CZ 3.35Å; L28-F160 HydrophobicContact CG-CE1 4.37Å; L28-F160 HydrophobicContact CG-CZ 4.17Å; L28-L163 HydrophobicContact CD1-CD1 3.76Å |
| 29 | F | 68.9 | Low | 67.1 | Low | 103 Ų | 103 | 78.7 Ų | 78.7 | 45% | 0.452 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -16.5 | 171.3 | -79.7 | -82 | 0 | 0 | 0 | 114.1 | N25 I26 L27 P31 I46 I52 | N25-F29 WeakPolarHBondContact O-CD2 3.21Å; I26-F29 WeakPolarHBondContact O-CB 3.49Å; I26-F29 PolarHBondContact O-N 2.97Å; I26-F29 VanDerWaalsContact O-N 3.11Å; L27-F29 PolarHBondContact O-N 3.39Å; F29-P31 VanDerWaalsContact C-CD 3.43Å; F29-P31 WeakPolarHBondContact O-CD 3.04Å; F29-I46 HydrophobicContact CE1-CG2 4.24Å; F29-I52 HydrophobicContact CD2-CD1 4.38Å; F29-I52 HydrophobicContact CE1-CD1 4.42Å; F29-I52 HydrophobicContact CE2-CD1 3.16Å; F29-I52 HydrophobicContact CE2-CG1 4.03Å; F29-I52 HydrophobicContact CZ-CD1 3.18Å; F29-I52 HydrophobicContact CZ-CG1 4.45Å |
| 30 | F | 70.1 | Confident | 65.6 | Low | 95 Ų | 95 | 80.5 Ų | 80.5 | 42% | 0.417 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -107.8 | 80.2 | 179.4 | -65.1 | -81.4 | 0 | 0 | 0 | 109.5 | I26 L27 L28 G32 G33 V35 W155 | I26-F30 HydrophobicContact CG2-CE2 4.47Å; L27-F30 PolarHBondContact O-N 3.14Å; L27-F30 VanDerWaalsContact O-N 3.1Å; L28-F30 PolarHBondContact O-N 3.08Å; F30-G32 PolarHBondContact O-N 3.37Å; F30-G32 VanDerWaalsContact O-N 3.08Å; F30-G33 PolarHBondContact O-N 3.39Å; F30-V35 HydrophobicContact CE1-CG2 4.3Å; F30-W155 PolarHBondContact O-NE1 3.47Å |
| 31 | P | 63.2 | Low | 64 | Low | 35 Ų | 35 | 81 Ų | 81 | 23% | 0.227 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -59.1 | 116.8 | 179.8 | 25.2 | -34.9 | 0 | 0 | 0 | 110.2 | F29 G33 I36 V152 | F29-P31 VanDerWaalsContact C-CD 3.43Å; F29-P31 WeakPolarHBondContact O-CD 3.04Å; P31-G33 PolarHBondContact O-N 3.43Å; P31-I36 HydrophobicContact CG-CD1 3.6Å; P31-I36 HydrophobicContact CG-CG1 4.45Å; P31-V152 HydrophobicContact CB-CG2 4.38Å |
| 32 | G | 62.7 | Low | 62.7 | Low | 24 Ų | 24 | 85.5 Ų | 85.5 | 25% | 0.247 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | 68.9 | 15.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | F30 K34 | F30-G32 PolarHBondContact O-N 3.37Å; F30-G32 VanDerWaalsContact O-N 3.08Å; G32-K34 PolarHBondContact O-N 3.1Å |
| 33 | G | 59.9 | Low | 60.9 | Low | 50 Ų | 50 | 82.9 Ų | 82.9 | 52% | 0.515 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | 70 | 14.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | F30 P31 | F30-G33 PolarHBondContact O-N 3.39Å; P31-G33 PolarHBondContact O-N 3.43Å |
| 34 | K | 58.9 | Low | 59.2 | Low | 133 Ų | 133 | 87.5 Ų | 87.5 | 58% | 0.578 | 47% | 0.466 | S | S | * | . | trans | -104.2 | 140 | 173.7 | -66.7 | -175.6 | -178.8 | 173.8 | 0 | 109.9 | G32 I36 | G32-K34 PolarHBondContact O-N 3.1Å; K34-I36 PolarHBondContact O-N 3.32Å | ||
| 35 | V | 56.8 | Low | 57.4 | Low | 113 Ų | 113 | 91.9 Ų | 91.9 | 69% | 0.685 | 49% | 0.485 | S | S | * | . | trans | -76.5 | 112.5 | 166.8 | -174.4 | 0 | 0 | 0 | 0 | 105.9 | F30 D37 | F30-V35 HydrophobicContact CE1-CG2 4.3Å; V35-D37 PolarHBondContact O-N 2.52Å | ||
| 36 | I | 54.1 | Low | 56 | Low | 77 Ų | 77 | 95.2 Ų | 95.2 | 40% | 0.395 | 50% | 0.502 | S | S | . | . | trans | -79.4 | 118 | 178.7 | -60.5 | -179.1 | 0 | 0 | 0 | 107.4 | P31 K34 D38 L42 | P31-I36 HydrophobicContact CG-CD1 3.6Å; P31-I36 HydrophobicContact CG-CG1 4.45Å; K34-I36 PolarHBondContact O-N 3.32Å; I36-D38 VanDerWaalsContact C-N 3.33Å; I36-L42 HydrophobicContact CD1-CD1 4.35Å; I36-L42 HydrophobicContact CG2-CD1 4.4Å | ||
| 37 | D | 47.2 | Very low | 54.4 | Low | 150 Ų | 150 | 102.8 Ų | 102.8 | 80% | 0.802 | 53% | 0.526 | S | S | * | . | trans | -79.1 | -10 | -178.9 | -102.7 | -34.4 | 0 | 0 | 0 | 113.7 | V35 | V35-D37 PolarHBondContact O-N 2.52Š| ||
| 38 | D | 46.8 | Very low | 52.9 | Low | 121 Ų | 121 | 105.6 Ų | 105.6 | 65% | 0.647 | 54% | 0.536 | S | S | * | . | trans | -110.5 | 110.5 | -179.1 | -95.7 | -51.1 | 0 | 0 | 0 | 112.6 | I36 D40 | I36-D38 VanDerWaalsContact C-N 3.33Å; D38-D40 VanDerWaalsContact C-N 3.33Å; D38-D40 PolarHBondContact O-N 3.48Å | ||
| 39 | N | 49 | Very low | 51.9 | Low | 141 Ų | 141 | 108.5 Ų | 108.5 | 75% | 0.754 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -0.5 | -175.3 | -78.9 | -63.8 | 0 | 0 | 0 | 114.7 | ||
| 40 | D | 48.2 | Very low | 51 | Low | 141 Ų | 141 | 103.6 Ų | 103.6 | 75% | 0.754 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -8 | -166.2 | -87.5 | -33.1 | 0 | 0 | 0 | 116 | D38 | D38-D40 VanDerWaalsContact C-N 3.33Å; D38-D40 PolarHBondContact O-N 3.48Å |
| 41 | H | 45.5 | Very low | 50.1 | Low | 145 Ų | 145 | 99.8 Ų | 99.8 | 67% | 0.671 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -126.6 | 9.4 | -179.3 | -62 | -50.5 | 0 | 0 | 0 | 114.7 | S43 | H41-S43 VanDerWaalsContact C-N 3.32Å; H41-S43 PolarHBondContact O-N 3.22Å |
| 42 | L | 47.7 | Very low | 49.9 | Very low | 93 Ų | 93 | 99.9 Ų | 99.9 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | trans | -71.9 | 93.2 | 173.6 | -111.6 | 77.2 | 0 | 0 | 0 | 108.3 | I36 I46 | I36-L42 HydrophobicContact CD1-CD1 4.35Å; I36-L42 HydrophobicContact CG2-CD1 4.4Å; L42-I46 HydrophobicContact CB-CD1 3.38Å; L42-I46 HydrophobicContact CD2-CD1 3.28Å; L42-I46 HydrophobicContact CD2-CG1 4.37Å; L42-I46 HydrophobicContact CG-CD1 3.47Å; L42-I46 VanDerWaalsContact CG-CD1 3.47Å | ||
| 43 | S | 40.1 | Very low | 49.8 | Very low | 33 Ų | 33 | 102.9 Ų | 102.9 | 23% | 0.231 | 52% | 0.521 | C | S | . | . | trans | -46.8 | 142.3 | -176.2 | -63 | 0 | 0 | 0 | 0 | 110.9 | H41 E45 I46 K119 | H41-S43 VanDerWaalsContact C-N 3.32Å; H41-S43 PolarHBondContact O-N 3.22Å; S43-E45 PolarHBondContact O-N 3.4Å; S43-I46 PolarHBondContact O-N 3.01Å; S43-I46 VanDerWaalsContact O-N 3.15Å; S43-K119 PolarHBondContact OG-NZ 3.48Å | ||
| 44 | Q | 43.1 | Very low | 49.9 | Very low | 189 Ų | 189 | 100.5 Ų | 100.5 | 88% | 0.883 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -48.4 | -5.3 | 175.1 | -68.9 | 170.8 | -55.2 | 0 | 0 | 115.2 | I46 W47 | Q44-I46 PolarHBondContact O-N 3.26Å; Q44-W47 WeakPolarHBondContact O-CB 3.3Å; Q44-W47 PolarHBondContact O-N 3.29Å |
| 45 | E | 41.5 | Very low | 50 | Low | 101 Ų | 101 | 94.3 Ų | 94.3 | 47% | 0.472 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -62.5 | -21.3 | 171.4 | -52.1 | -93.3 | -172.9 | 0 | 0 | 113 | S43 W47 F48 Y129 | S43-E45 PolarHBondContact O-N 3.4Å; E45-W47 PolarHBondContact O-N 2.87Å; E45-F48 WeakPolarHBondContact O-CB 3.45Å; E45-F48 PolarHBondContact O-N 3.31Å; E45-Y129 PolarHBondContact OE1-OH 3.26Å |
| 46 | I | 45.4 | Very low | 50.4 | Low | 79 Ų | 79 | 89.1 Ų | 89.1 | 41% | 0.405 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -64.3 | -19.5 | 169.9 | -63.6 | 148.3 | 0 | 0 | 0 | 111.5 | F29 L42 S43 Q44 F48 | F29-I46 HydrophobicContact CE1-CG2 4.24Å; L42-I46 HydrophobicContact CB-CD1 3.38Å; L42-I46 HydrophobicContact CD2-CD1 3.28Å; L42-I46 HydrophobicContact CD2-CG1 4.37Å; L42-I46 HydrophobicContact CG-CD1 3.47Å; L42-I46 VanDerWaalsContact CG-CD1 3.47Å; S43-I46 PolarHBondContact O-N 3.01Å; S43-I46 VanDerWaalsContact O-N 3.15Å; Q44-I46 PolarHBondContact O-N 3.26Å; I46-F48 VanDerWaalsContact C-N 3.27Å |
| 47 | W | 43.5 | Very low | 50.9 | Low | 225 Ų | 225 | 88.5 Ų | 88.5 | 85% | 0.852 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -79.4 | -11.1 | 172.9 | -139 | 80.6 | 0 | 0 | 0 | 112.9 | Q44 E45 F49 | Q44-W47 WeakPolarHBondContact O-CB 3.3Å; Q44-W47 PolarHBondContact O-N 3.29Å; E45-W47 PolarHBondContact O-N 2.87Å; W47-F49 PolarHBondContact O-N 3.49Å |
| 48 | F | 45.4 | Very low | 51.8 | Low | 129 Ų | 129 | 84.2 Ų | 84.2 | 57% | 0.566 | 42% | 0.416 | S | S | * | . | trans | -78.3 | 68.5 | 165.9 | -144 | -96.3 | 0 | 0 | 0 | 108.5 | E45 I46 G50 V109 | E45-F48 WeakPolarHBondContact O-CB 3.45Å; E45-F48 PolarHBondContact O-N 3.31Å; I46-F48 VanDerWaalsContact C-N 3.27Å; F48-G50 PolarHBondContact O-N 3.46Å; F48-V109 HydrophobicContact CD1-CG1 4.33Å; F48-V109 HydrophobicContact CE1-CG1 4.12Å; F48-V109 HydrophobicContact CE1-CG2 3.87Å | ||
| 49 | F | 51.1 | Low | 52.8 | Low | 101 Ų | 101 | 78.4 Ų | 78.4 | 44% | 0.443 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 25.9 | 169.6 | -118.8 | -90.8 | 0 | 0 | 0 | 112.8 | W47 I52 L53 | W47-F49 PolarHBondContact O-N 3.49Å; F49-I52 HydrophobicContact CD1-CB 3.98Å; F49-I52 HydrophobicContact CD1-CD1 4.2Å; F49-I52 HydrophobicContact CD1-CG2 4.1Å; F49-I52 HydrophobicContact CE1-CB 4.21Å; F49-I52 HydrophobicContact CE1-CD1 4.22Å; F49-I52 HydrophobicContact CE1-CG2 3.87Å; F49-L53 HydrophobicContact CB-CD1 4.15Å; F49-L53 HydrophobicContact CD1-CD1 4.42Å; F49-L53 HydrophobicContact CD1-CG 4.43Å; F49-L53 WeakPolarHBondContact O-CB 3.37Å; F49-L53 PolarHBondContact O-N 3.37Å; F49-L53 VanDerWaalsContact O-N 3.09Å |
| 50 | G | 50.5 | Low | 53.7 | Low | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.5 | -45.9 | -165.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F48 G54 Y105 | F48-G50 PolarHBondContact O-N 3.46Å; G50-G54 PolarHBondContact O-N 2.96Å; G50-Y105 VanDerWaalsContact CA-OH 3.28Å; G50-Y105 WeakPolarHBondContact CA-OH 3.35Å; G50-Y105 WeakPolarHBondContact O-CD1 3.34Å; G50-Y105 WeakPolarHBondContact O-CE1 3.3Å |
| 51 | G | 52.3 | Low | 54.7 | Low | 15 Ų | 15 | 74.4 Ų | 74.4 | 16% | 0.155 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.3 | -40.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | N25 G54 S55 | N25-G51 WeakPolarHBondContact OD1-CA 3.28Å; N25-G51 PolarHBondContact OD1-O 2.84Å; G51-G54 PolarHBondContact O-N 3.44Å; G51-S55 PolarHBondContact O-N 2.97Å; G51-S55 PolarHBondContact O-OG 2.95Å |
| 52 | I | 58.1 | Low | 55.5 | Low | 36 Ų | 36 | 67.5 Ų | 67.5 | 19% | 0.185 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -74.5 | -41.2 | -174.1 | -60.2 | 149.9 | 0 | 0 | 0 | 111.5 | N25 F29 F49 G56 V57 | N25-I52 HydrophobicContact CB-CG1 4.09Å; N25-I52 PolarHBondContact OD1-N 3.07Å; F29-I52 HydrophobicContact CD2-CD1 4.38Å; F29-I52 HydrophobicContact CE1-CD1 4.42Å; F29-I52 HydrophobicContact CE2-CD1 3.16Å; F29-I52 HydrophobicContact CE2-CG1 4.03Å; F29-I52 HydrophobicContact CZ-CD1 3.18Å; F29-I52 HydrophobicContact CZ-CG1 4.45Å; F49-I52 HydrophobicContact CD1-CB 3.98Å; F49-I52 HydrophobicContact CD1-CD1 4.2Å; F49-I52 HydrophobicContact CD1-CG2 4.1Å; F49-I52 HydrophobicContact CE1-CB 4.21Å; F49-I52 HydrophobicContact CE1-CD1 4.22Å; F49-I52 HydrophobicContact CE1-CG2 3.87Å; I52-G56 CarbonylContact O-C 3.55Å; I52-G56 VanDerWaalsContact O-CA 3.26Å; I52-G56 WeakPolarHBondContact O-CA 3.26Å; I52-G56 PolarHBondContact O-N 2.88Å; I52-V57 PolarHBondContact O-N 2.86Å |
| 53 | L | 60.9 | Low | 56.4 | Low | 88 Ų | 88 | 63.8 Ų | 63.8 | 46% | 0.461 | 31% | 0.308 | S | S | . | . | I | π-helix | trans | -65.4 | -46.8 | 172.2 | -95 | 157.8 | 0 | 0 | 0 | 110.5 | F49 L58 | F49-L53 HydrophobicContact CB-CD1 4.15Å; F49-L53 HydrophobicContact CD1-CD1 4.42Å; F49-L53 HydrophobicContact CD1-CG 4.43Å; F49-L53 WeakPolarHBondContact O-CB 3.37Å; F49-L53 PolarHBondContact O-N 3.37Å; F49-L53 VanDerWaalsContact O-N 3.09Å; L53-L58 VanDerWaalsContact O-CB 3.31Å; L53-L58 WeakPolarHBondContact O-CB 3.3Å; L53-L58 WeakPolarHBondContact O-CG 3.42Å; L53-L58 PolarHBondContact O-N 3.26Å |
| 54 | G | 62.2 | Low | 57.7 | Low | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -67.7 | -62 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | G50 G51 G102 | G50-G54 PolarHBondContact O-N 2.96Å; G51-G54 PolarHBondContact O-N 3.44Å; G54-G102 CarbonylContact C-O 3.51Å; G54-G102 WeakPolarHBondContact CA-O 3.47Å; G54-G102 CarbonylContact O-C 3.58Å |
| 55 | S | 60.1 | Low | 58.7 | Low | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -94.8 | -16.3 | -173.4 | 62.9 | 0 | 0 | 0 | 0 | 114.3 | N25 G51 M59 S106 | N25-S55 PolarHBondContact ND2-OG 3.17Å; G51-S55 PolarHBondContact O-N 2.97Å; G51-S55 PolarHBondContact O-OG 2.95Å; S55-M59 WeakPolarHBondContact O-CB 3.24Å; S55-S106 WeakPolarHBondContact CB-OG 3.45Å; S55-S106 PolarHBondContact OG-OG 3.39Å |
| 56 | G | 64.9 | Low | 59.7 | Low | 4 Ų | 4 | 56.2 Ų | 56.2 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -92.3 | -81.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I52 M59 I60 | I52-G56 CarbonylContact O-C 3.55Å; I52-G56 VanDerWaalsContact O-CA 3.26Å; I52-G56 WeakPolarHBondContact O-CA 3.26Å; I52-G56 PolarHBondContact O-N 2.88Å; G56-M59 PolarHBondContact O-N 3.48Å; G56-I60 WeakPolarHBondContact O-CG1 3.49Å; G56-I60 PolarHBondContact O-N 3.42Å |
| 57 | V | 65.4 | Low | 60.5 | Low | 64 Ų | 64 | 55.8 Ų | 55.8 | 39% | 0.388 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -65.1 | -46.6 | -169.7 | 179.6 | 0 | 0 | 0 | 0 | 112.4 | I52 M59 I60 F61 | I52-V57 PolarHBondContact O-N 2.86Å; V57-M59 PolarHBondContact O-N 2.89Å; V57-I60 PolarHBondContact O-N 3.34Å; V57-F61 HydrophobicContact CG1-CE2 4.23Å; V57-F61 WeakPolarHBondContact O-CD2 3.12Å |
| 58 | L | 65.4 | Low | 61.1 | Low | 59 Ų | 59 | 46.3 Ų | 46.3 | 31% | 0.309 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.9 | -18 | -179.3 | -72 | 173 | 0 | 0 | 0 | 113.4 | L53 P62 V98 | L53-L58 VanDerWaalsContact O-CB 3.31Å; L53-L58 WeakPolarHBondContact O-CB 3.3Å; L53-L58 WeakPolarHBondContact O-CG 3.42Å; L53-L58 PolarHBondContact O-N 3.26Å; L58-P62 WeakPolarHBondContact O-CD 3.38Å; L58-P62 WeakPolarHBondContact O-CG 3.12Å; L58-V98 HydrophobicContact CD2-CG1 3.97Å |
| 59 | M | 67.5 | Low | 61.5 | Low | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -92.3 | -18.9 | 177.9 | -73.8 | -63.6 | -91.6 | 0 | 0 | 114 | L14 S55 G56 V57 F61 P62 A63 Q170 | L14-M59 HydrophobicContact CD2-CE 3.65Å; S55-M59 WeakPolarHBondContact O-CB 3.24Å; G56-M59 PolarHBondContact O-N 3.48Å; V57-M59 PolarHBondContact O-N 2.89Å; M59-F61 VanDerWaalsContact C-N 3.33Å; M59-F61 PolarHBondContact O-N 3.44Å; M59-P62 WeakPolarHBondContact O-CD 3.41Å; M59-P62 HydrophobicContact SD-CG 4.42Å; M59-A63 VanDerWaalsContact O-CB 3.25Å; M59-A63 WeakPolarHBondContact O-CB 3.16Å; M59-A63 PolarHBondContact O-N 2.9Å; M59-A63 VanDerWaalsContact O-N 3.1Å; M59-Q170 HydrophobicContact CE-CB 3.67Å; M59-Q170 HydrophobicContact CE-CG 3.48Å; M59-Q170 VanDerWaalsContact CE-CG 3.48Å |
| 60 | I | 69.5 | Low | 61.3 | Low | 86 Ų | 86 | 43.5 Ų | 43.5 | 44% | 0.441 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.2 | -41.5 | 172.1 | -70.2 | 168.4 | 0 | 0 | 0 | 110.6 | G56 V57 A63 L64 | G56-I60 WeakPolarHBondContact O-CG1 3.49Å; G56-I60 PolarHBondContact O-N 3.42Å; V57-I60 PolarHBondContact O-N 3.34Å; I60-A63 PolarHBondContact O-N 3.37Å; I60-L64 HydrophobicContact CG2-CD1 3.77Å; I60-L64 HydrophobicContact CG2-CG 4.27Å; I60-L64 WeakPolarHBondContact O-CB 3.45Å; I60-L64 VanDerWaalsContact O-CG 3.29Å; I60-L64 WeakPolarHBondContact O-CG 3.36Å; I60-L64 PolarHBondContact O-N 3.37Å |
| 61 | F | 67.5 | Low | 60.9 | Low | 112 Ų | 112 | 49.3 Ų | 49.3 | 49% | 0.491 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.3 | -52.5 | -179.2 | -67.5 | -82 | 0 | 0 | 0 | 113.4 | V57 M59 A63 L64 V65 F95 | V57-F61 HydrophobicContact CG1-CE2 4.23Å; V57-F61 WeakPolarHBondContact O-CD2 3.12Å; M59-F61 VanDerWaalsContact C-N 3.33Å; M59-F61 PolarHBondContact O-N 3.44Å; F61-A63 VanDerWaalsContact C-N 3.33Å; F61-A63 PolarHBondContact O-N 2.95Å; F61-L64 PolarHBondContact O-N 3.41Å; F61-V65 VanDerWaalsContact O-CG2 3.29Å; F61-V65 WeakPolarHBondContact O-CG2 3.35Å; F61-V65 PolarHBondContact O-N 3.27Å; F61-F95 HydrophobicContact CB-CD1 4.02Å; F61-F95 HydrophobicContact CB-CE1 3.98Å |
| 62 | P | 63.1 | Low | 60.3 | Low | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.6 | -42.6 | 172.4 | -20.3 | 27.5 | 0 | 0 | 0 | 112.8 | L58 M59 L64 V65 F66 F95 | L58-P62 WeakPolarHBondContact O-CD 3.38Å; L58-P62 WeakPolarHBondContact O-CG 3.12Å; M59-P62 WeakPolarHBondContact O-CD 3.41Å; M59-P62 HydrophobicContact SD-CG 4.42Å; P62-L64 PolarHBondContact O-N 2.94Å; P62-V65 PolarHBondContact O-N 2.94Å; P62-F66 HydrophobicContact CB-CD2 4.37Å; P62-F66 HydrophobicContact CB-CE2 3.9Å; P62-F66 HydrophobicContact CB-CZ 4.44Å; P62-F66 WeakPolarHBondContact O-CB 3.39Å; P62-F66 WeakPolarHBondContact O-CD2 3.22Å; P62-F66 WeakPolarHBondContact O-CG 3.38Å; P62-F66 PolarHBondContact O-N 3.12Å; P62-F95 WeakPolarHBondContact CG-O 3.33Å |
| 63 | A | 66.6 | Low | 59.5 | Low | 15 Ų | 15 | 59 Ų | 59 | 12% | 0.124 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.3 | -44.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M59 I60 F61 F66 L67 | M59-A63 VanDerWaalsContact O-CB 3.25Å; M59-A63 WeakPolarHBondContact O-CB 3.16Å; M59-A63 PolarHBondContact O-N 2.9Å; M59-A63 VanDerWaalsContact O-N 3.1Å; I60-A63 PolarHBondContact O-N 3.37Å; F61-A63 VanDerWaalsContact C-N 3.33Å; F61-A63 PolarHBondContact O-N 2.95Å; A63-F66 PolarHBondContact O-N 3.25Å; A63-L67 VanDerWaalsContact O-CB 3.32Å; A63-L67 WeakPolarHBondContact O-CB 3.35Å; A63-L67 PolarHBondContact O-N 3.12Å |
| 64 | L | 66.6 | Low | 58.6 | Low | 112 Ų | 112 | 60.4 Ų | 60.4 | 59% | 0.586 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.6 | -40.1 | 176.3 | -72.8 | 174.3 | 0 | 0 | 0 | 112.2 | I60 F61 P62 L67 G68 | I60-L64 HydrophobicContact CG2-CD1 3.77Å; I60-L64 HydrophobicContact CG2-CG 4.27Å; I60-L64 WeakPolarHBondContact O-CB 3.45Å; I60-L64 VanDerWaalsContact O-CG 3.29Å; I60-L64 WeakPolarHBondContact O-CG 3.36Å; I60-L64 PolarHBondContact O-N 3.37Å; F61-L64 PolarHBondContact O-N 3.41Å; P62-L64 PolarHBondContact O-N 2.94Å; L64-L67 PolarHBondContact O-N 3.42Å; L64-G68 PolarHBondContact O-N 2.88Å |
| 65 | V | 65.6 | Low | 57.4 | Low | 36 Ų | 36 | 66.5 Ų | 66.5 | 22% | 0.218 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.4 | -43.9 | 177.4 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | F61 P62 L67 G68 L69 F95 | F61-V65 VanDerWaalsContact O-CG2 3.29Å; F61-V65 WeakPolarHBondContact O-CG2 3.35Å; F61-V65 PolarHBondContact O-N 3.27Å; P62-V65 PolarHBondContact O-N 2.94Å; V65-L67 VanDerWaalsContact C-N 3.32Å; V65-L67 PolarHBondContact O-N 3.41Å; V65-G68 PolarHBondContact O-N 2.91Å; V65-L69 WeakPolarHBondContact O-CG 3.32Å; V65-L69 PolarHBondContact O-N 3.11Å; V65-F95 HydrophobicContact CB-CD2 4.3Å; V65-F95 HydrophobicContact CB-CG 4.5Å; V65-F95 HydrophobicContact CG1-CD2 4.09Å; V65-F95 HydrophobicContact CG2-CD1 4.43Å; V65-F95 HydrophobicContact CG2-CD2 3.66Å; V65-F95 HydrophobicContact CG2-CE2 3.82Å; V65-F95 HydrophobicContact CG2-CG 4Å; V65-F95 HydrophobicContact CG2-CZ 4.28Å |
| 66 | F | 62.8 | Low | 56.2 | Low | 16 Ų | 16 | 69.4 Ų | 69.4 | 7% | 0.07 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.6 | -35.5 | 175.3 | -63.5 | -37.7 | 0 | 0 | 0 | 112.6 | L14 P62 A63 L69 K70 S92 A96 Q177 | L14-F66 HydrophobicContact CD1-CE2 4.48Å; L14-F66 HydrophobicContact CD2-CD2 4.28Å; L14-F66 HydrophobicContact CD2-CE2 3.99Å; P62-F66 HydrophobicContact CB-CD2 4.37Å; P62-F66 HydrophobicContact CB-CE2 3.9Å; P62-F66 HydrophobicContact CB-CZ 4.44Å; P62-F66 WeakPolarHBondContact O-CB 3.39Å; P62-F66 WeakPolarHBondContact O-CD2 3.22Å; P62-F66 WeakPolarHBondContact O-CG 3.38Å; P62-F66 PolarHBondContact O-N 3.12Å; A63-F66 PolarHBondContact O-N 3.25Å; F66-L69 HydrophobicContact CD1-CD1 4.3Å; F66-L69 PolarHBondContact O-N 3.06Å; F66-K70 PolarHBondContact O-N 3.3Å; F66-S92 VanDerWaalsContact CE1-OG 3.29Å; F66-S92 WeakPolarHBondContact CE1-OG 3.4Å; F66-A96 HydrophobicContact CZ-CB 4.11Å; F66-Q177 HydrophobicContact CE1-CG 3.69Å; F66-Q177 HydrophobicContact CZ-CG 3.76Å |
| 67 | L | 60.4 | Low | 54.6 | Low | 69 Ų | 69 | 73.9 Ų | 73.9 | 36% | 0.361 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -72.4 | -34.1 | 174.5 | -164.4 | 146.5 | 0 | 0 | 0 | 111.9 | I15 A63 L64 V65 L69 K70 | I15-L67 HydrophobicContact CD1-CD1 3.87Å; A63-L67 VanDerWaalsContact O-CB 3.32Å; A63-L67 WeakPolarHBondContact O-CB 3.35Å; A63-L67 PolarHBondContact O-N 3.12Å; L64-L67 PolarHBondContact O-N 3.42Å; V65-L67 VanDerWaalsContact C-N 3.32Å; V65-L67 PolarHBondContact O-N 3.41Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L67-K70 WeakPolarHBondContact O-CA 3.41Å; L67-K70 WeakPolarHBondContact O-CB 3.38Å; L67-K70 PolarHBondContact O-N 3.09Å |
| 68 | G | 56.4 | Low | 53.3 | Low | 26 Ų | 26 | 76.8 Ų | 76.8 | 27% | 0.268 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L64 V65 K70 N71 N72 | L64-G68 PolarHBondContact O-N 2.88Å; V65-G68 PolarHBondContact O-N 2.91Å; G68-K70 PolarHBondContact O-N 3.19Å; G68-K70 VanDerWaalsContact O-N 3.11Å; G68-N71 PolarHBondContact O-N 2.87Å; G68-N71 VanDerWaalsContact O-N 3.12Å; G68-N72 PolarHBondContact O-N 3.28Å; G68-N72 PolarHBondContact O-ND2 3.09Å; G68-N72 VanDerWaalsContact O-ND2 3.14Å; G68-N72 PolarHBondContact O-OD1 3.11Å |
| 69 | L | 54.5 | Low | 52 | Low | 57 Ų | 57 | 78.4 Ų | 78.4 | 30% | 0.298 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -18.9 | 172.2 | -63.2 | 171.5 | 0 | 0 | 0 | 113.4 | V65 F66 L67 A88 | V65-L69 WeakPolarHBondContact O-CG 3.32Å; V65-L69 PolarHBondContact O-N 3.11Å; F66-L69 HydrophobicContact CD1-CD1 4.3Å; F66-L69 PolarHBondContact O-N 3.06Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L69-A88 HydrophobicContact CD2-CB 3.96Å |
| 70 | K | 47.6 | Very low | 50.6 | Low | 115 Ų | 115 | 83.6 Ų | 83.6 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -76.1 | -31.8 | 175.8 | -159.7 | -176.2 | 78.3 | 160.5 | 0 | 113 | F66 L67 G68 | F66-K70 PolarHBondContact O-N 3.3Å; L67-K70 WeakPolarHBondContact O-CA 3.41Å; L67-K70 WeakPolarHBondContact O-CB 3.38Å; L67-K70 PolarHBondContact O-N 3.09Å; G68-K70 PolarHBondContact O-N 3.19Å; G68-K70 VanDerWaalsContact O-N 3.11Å |
| 71 | N | 41.7 | Very low | 49.5 | Very low | 122 Ų | 122 | 87.9 Ų | 87.9 | 65% | 0.652 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -100.1 | -7.6 | -175.3 | -90.2 | 4.3 | 0 | 0 | 0 | 113.9 | G68 D73 | G68-N71 PolarHBondContact O-N 2.87Å; G68-N71 VanDerWaalsContact O-N 3.12Å; N71-D73 PolarHBondContact O-N 2.97Å; N71-D73 VanDerWaalsContact O-N 3.09Å |
| 72 | N | 40 | Very low | 48.8 | Very low | 108 Ų | 108 | 84.5 Ų | 84.5 | 58% | 0.578 | 52% | 0.524 | S | S | * | . | trans | -86.1 | 82.7 | 179.3 | -56.3 | -15.7 | 0 | 0 | 0 | 109.3 | G68 C74 | G68-N72 PolarHBondContact O-N 3.28Å; G68-N72 PolarHBondContact O-ND2 3.09Å; G68-N72 VanDerWaalsContact O-ND2 3.14Å; G68-N72 PolarHBondContact O-OD1 3.11Å; N72-C74 PolarHBondContact O-N 3.43Å | ||
| 73 | D | 40.6 | Very low | 47.9 | Very low | 147 Ų | 147 | 88.5 Ų | 88.5 | 79% | 0.786 | 55% | 0.551 | S | S | * | * | trans | -54.1 | 106.3 | 156.6 | -80.4 | -43.1 | 0 | 0 | 0 | 108.1 | N71 C75 | N71-D73 PolarHBondContact O-N 2.97Å; N71-D73 VanDerWaalsContact O-N 3.09Å; D73-C75 WeakPolarHBondContact O-CA 3.3Å; D73-C75 VanDerWaalsContact O-CB 3.25Å; D73-C75 WeakPolarHBondContact O-CB 3.31Å; D73-C75 PolarHBondContact O-N 3.26Å | ||
| 74 | C | 42 | Very low | 47.2 | Very low | 118 Ų | 118 | 88.6 Ų | 88.6 | 80% | 0.797 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 22.2 | 26.3 | 154 | -72.6 | 0 | 0 | 0 | 0 | 120.9 | N72 | N72-C74 PolarHBondContact O-N 3.43Š|
| 75 | C | 37.5 | Very low | 46.8 | Very low | 128 Ų | 128 | 89.9 Ų | 89.9 | 87% | 0.865 | 55% | 0.554 | S | S | * | * | trans | -155.8 | 62.8 | -161.8 | -149.8 | 0 | 0 | 0 | 0 | 110.6 | D73 | D73-C75 WeakPolarHBondContact O-CA 3.3Å; D73-C75 VanDerWaalsContact O-CB 3.25Å; D73-C75 WeakPolarHBondContact O-CB 3.31Å; D73-C75 PolarHBondContact O-N 3.26Å | ||
| 76 | G | 34.5 | Very low | 46.5 | Very low | 64 Ų | 64 | 93.2 Ų | 93.2 | 66% | 0.66 | 56% | 0.563 | S | S | * | * | trans | -157.1 | 88.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 77 | C | 31.6 | Very low | 46.5 | Very low | 98 Ų | 98 | 99.5 Ų | 99.5 | 66% | 0.662 | 59% | 0.59 | S | S | * | * | S | Bend | trans | 148.2 | 106.1 | 137.3 | -142.5 | 0 | 0 | 0 | 0 | 108.7 | ||
| 78 | C | 37.8 | Very low | 46.7 | Very low | 124 Ų | 124 | 97.8 Ų | 97.8 | 84% | 0.838 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53 | 63.5 | 177.5 | -65.4 | 0 | 0 | 0 | 0 | 116.5 | N80 | C78-N80 PolarHBondContact O-N 2.91Š|
| 79 | G | 37.5 | Very low | 47.2 | Very low | 94 Ų | 94 | 97.8 Ų | 97.8 | 97% | 0.969 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.5 | -5.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 80 | N | 37.7 | Very low | 48 | Very low | 109 Ų | 109 | 100.4 Ų | 100.4 | 58% | 0.583 | 59% | 0.589 | S | S | * | * | trans | -120.5 | 105.1 | -174.6 | -172.7 | 29 | 0 | 0 | 0 | 109.6 | C78 G82 C83 | C78-N80 PolarHBondContact O-N 2.91Å; N80-G82 PolarHBondContact O-N 2.89Å; N80-C83 PolarHBondContact O-N 2.81Å | ||
| 81 | K | 48.2 | Very low | 49.1 | Very low | 176 Ų | 176 | 96.7 Ų | 96.7 | 77% | 0.765 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -56.3 | -21.6 | -174.1 | -66.5 | 178.4 | 178.2 | 176.1 | 0 | 114 | ||
| 82 | G | 50.9 | Low | 50.7 | Low | 40 Ų | 40 | 90.9 Ų | 90.9 | 41% | 0.412 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -78.5 | -37.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | N80 R86 | N80-G82 PolarHBondContact O-N 2.89Å; G82-R86 PolarHBondContact O-N 3.25Å |
| 83 | C | 45 | Very low | 52.5 | Low | 85 Ų | 85 | 86.3 Ų | 86.3 | 57% | 0.574 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -76.9 | -45.7 | -172.5 | -166.7 | 0 | 0 | 0 | 0 | 112.3 | N80 K85 R86 F87 | N80-C83 PolarHBondContact O-N 2.81Å; C83-K85 VanDerWaalsContact C-N 3.27Å; C83-K85 PolarHBondContact O-N 3Å; C83-R86 PolarHBondContact O-N 3.39Å; C83-F87 PolarHBondContact O-N 3.45Å |
| 84 | G | 52.6 | Low | 54.5 | Low | 17 Ų | 17 | 83.1 Ų | 83.1 | 18% | 0.175 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -62.4 | -32.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A88 | G84-A88 VanDerWaalsContact O-CB 3.27Å; G84-A88 WeakPolarHBondContact O-CB 3.45Å; G84-A88 PolarHBondContact O-N 2.86Å |
| 85 | K | 57.1 | Low | 56.4 | Low | 139 Ų | 139 | 80.4 Ų | 80.4 | 60% | 0.604 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68.4 | -40.6 | 178.6 | -168.5 | 172.7 | -177.6 | 177.3 | 0 | 112.4 | C83 M89 | C83-K85 VanDerWaalsContact C-N 3.27Å; C83-K85 PolarHBondContact O-N 3Å; K85-M89 WeakPolarHBondContact O-CB 3.38Å; K85-M89 WeakPolarHBondContact O-CG 3.46Å; K85-M89 PolarHBondContact O-N 3.24Å; K85-M89 VanDerWaalsContact O-N 3.15Å |
| 86 | R | 60.5 | Low | 58.5 | Low | 106 Ų | 106 | 74.3 Ų | 74.3 | 40% | 0.4 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.2 | -42.9 | 176.7 | -71.7 | -170.9 | -176.7 | 177.7 | 6.9 | 112 | G82 C83 M89 F90 G188 D189 | G82-R86 PolarHBondContact O-N 3.25Å; C83-R86 PolarHBondContact O-N 3.39Å; R86-M89 PolarHBondContact O-N 2.97Å; R86-F90 WeakPolarHBondContact O-CB 3.35Å; R86-F90 PolarHBondContact O-N 2.72Å; R86-G188 PolarHBondContact NH2-O 2.64Å; R86-D189 IonicContact CZ-OD1 3.99Å; R86-D189 IonicContact CZ-OD2 3.47Å; R86-D189 IonicContact NH1-OD2 3.27Å; R86-D189 PolarHBondContact NH1-OD2 3.27Å; R86-D189 IonicContact NH2-OD1 2.83Å; R86-D189 PolarHBondContact NH2-OD1 3.36Å; R86-D189 IonicContact NH2-OD2 2.78Å; R86-D189 PolarHBondContact NH2-OD2 2.96Å |
| 87 | F | 62.9 | Low | 60.9 | Low | 148 Ų | 148 | 74.2 Ų | 74.2 | 65% | 0.649 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.2 | -46.2 | 178.2 | -171.8 | -100.9 | 0 | 0 | 0 | 111.8 | C83 M89 F90 T91 | C83-F87 PolarHBondContact O-N 3.45Å; F87-M89 PolarHBondContact O-N 3.06Å; F87-F90 PolarHBondContact O-N 3.08Å; F87-T91 WeakPolarHBondContact O-CB 3.36Å; F87-T91 PolarHBondContact O-N 3.31Å; F87-T91 PolarHBondContact O-OG1 3.42Å |
| 88 | A | 64.4 | Low | 63.5 | Low | 32 Ų | 32 | 72 Ų | 72 | 26% | 0.264 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | L69 G84 S92 | L69-A88 HydrophobicContact CD2-CB 3.96Å; G84-A88 VanDerWaalsContact O-CB 3.27Å; G84-A88 WeakPolarHBondContact O-CB 3.45Å; G84-A88 PolarHBondContact O-N 2.86Å; A88-S92 VanDerWaalsContact O-CB 3.28Å; A88-S92 WeakPolarHBondContact O-CB 3.07Å; A88-S92 PolarHBondContact O-N 3.1Å |
| 89 | M | 67.3 | Low | 65.7 | Low | 26 Ų | 26 | 66.1 Ų | 66.1 | 13% | 0.128 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70 | -38.1 | 177.2 | -68.3 | -69.7 | -107.4 | 0 | 0 | 112.4 | K85 R86 F87 S92 T93 T185 | K85-M89 WeakPolarHBondContact O-CB 3.38Å; K85-M89 WeakPolarHBondContact O-CG 3.46Å; K85-M89 PolarHBondContact O-N 3.24Å; K85-M89 VanDerWaalsContact O-N 3.15Å; R86-M89 PolarHBondContact O-N 2.97Å; F87-M89 PolarHBondContact O-N 3.06Å; M89-S92 PolarHBondContact O-N 2.82Å; M89-T93 PolarHBondContact O-N 3Å; M89-T93 PolarHBondContact O-OG1 3.39Å; M89-T185 HydrophobicContact CB-CG2 4.42Å |
| 90 | F | 70.6 | Confident | 68.1 | Low | 113 Ų | 113 | 65.4 Ų | 65.4 | 50% | 0.496 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66 | -48.2 | 175.8 | -179.3 | -107.1 | 0 | 0 | 0 | 111.6 | R86 F87 S92 T93 I94 T185 | R86-F90 WeakPolarHBondContact O-CB 3.35Å; R86-F90 PolarHBondContact O-N 2.72Å; F87-F90 PolarHBondContact O-N 3.08Å; F90-S92 VanDerWaalsContact C-N 3.32Å; F90-S92 PolarHBondContact O-N 3.46Å; F90-T93 WeakPolarHBondContact O-CB 3.46Å; F90-T93 PolarHBondContact O-N 3.28Å; F90-I94 HydrophobicContact CD1-CD1 3.84Å; F90-I94 HydrophobicContact CE1-CD1 3.34Å; F90-I94 HydrophobicContact CE1-CG1 4.32Å; F90-I94 HydrophobicContact CE2-CD1 4.46Å; F90-I94 HydrophobicContact CZ-CD1 3.7Å; F90-I94 HydrophobicContact CZ-CG1 4.33Å; F90-I94 PolarHBondContact O-N 3.02Å; F90-T185 HydrophobicContact CB-CG2 4.24Å |
| 91 | T | 71.7 | Confident | 70.4 | Confident | 36 Ų | 36 | 65.6 Ų | 65.6 | 22% | 0.221 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.5 | -45.1 | 174.2 | -67.4 | 0 | 0 | 0 | 0 | 111.4 | F87 T93 I94 F95 | F87-T91 WeakPolarHBondContact O-CB 3.36Å; F87-T91 PolarHBondContact O-N 3.31Å; F87-T91 PolarHBondContact O-OG1 3.42Å; T91-T93 VanDerWaalsContact C-N 3.25Å; T91-T93 PolarHBondContact O-N 3.48Å; T91-I94 PolarHBondContact O-N 3.24Å; T91-F95 HydrophobicContact CG2-CD2 3.67Å; T91-F95 HydrophobicContact CG2-CE2 3.57Å; T91-F95 WeakPolarHBondContact O-CD2 3.36Å; T91-F95 PolarHBondContact O-N 3.35Å; T91-F95 VanDerWaalsContact O-N 3.08Å |
| 92 | S | 73.3 | Confident | 72.1 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.8 | -37.2 | 175.1 | -177.8 | 0 | 0 | 0 | 0 | 113.2 | F66 A88 M89 F90 A96 Q177 | F66-S92 VanDerWaalsContact CE1-OG 3.29Å; F66-S92 WeakPolarHBondContact CE1-OG 3.4Å; A88-S92 VanDerWaalsContact O-CB 3.28Å; A88-S92 WeakPolarHBondContact O-CB 3.07Å; A88-S92 PolarHBondContact O-N 3.1Å; M89-S92 PolarHBondContact O-N 2.82Å; F90-S92 VanDerWaalsContact C-N 3.32Å; F90-S92 PolarHBondContact O-N 3.46Å; S92-A96 WeakPolarHBondContact O-CB 3.32Å; S92-A96 PolarHBondContact O-N 2.85Å; S92-Q177 PolarHBondContact OG-NE2 3.47Å; S92-Q177 VanDerWaalsContact OG-NE2 3.08Å |
| 93 | T | 79.1 | Confident | 73.7 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 8% | 0.08 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.9 | -44.6 | 178.6 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | M89 F90 T91 F95 A96 V97 V178 G181 L182 | M89-T93 PolarHBondContact O-N 3Å; M89-T93 PolarHBondContact O-OG1 3.39Å; F90-T93 WeakPolarHBondContact O-CB 3.46Å; F90-T93 PolarHBondContact O-N 3.28Å; T91-T93 VanDerWaalsContact C-N 3.25Å; T91-T93 PolarHBondContact O-N 3.48Å; T93-F95 VanDerWaalsContact C-N 3.35Å; T93-F95 PolarHBondContact O-N 2.87Å; T93-A96 WeakPolarHBondContact O-CB 3.46Å; T93-A96 PolarHBondContact O-N 2.89Å; T93-V97 WeakPolarHBondContact O-CG2 3.36Å; T93-V97 PolarHBondContact O-N 3.37Å; T93-V178 HydrophobicContact CG2-CG1 4.45Å; T93-G181 VanDerWaalsContact OG1-CA 3.3Å; T93-G181 WeakPolarHBondContact OG1-CA 3.3Å; T93-L182 HydrophobicContact CG2-CG 4.4Å |
| 94 | I | 82.1 | Confident | 75.6 | Confident | 79 Ų | 79 | 51.9 Ų | 51.9 | 41% | 0.405 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.5 | -48.8 | 176.5 | -68.4 | 170.7 | 0 | 0 | 0 | 110.4 | F90 T91 A96 V97 V98 | F90-I94 HydrophobicContact CD1-CD1 3.84Å; F90-I94 HydrophobicContact CE1-CD1 3.34Å; F90-I94 HydrophobicContact CE1-CG1 4.32Å; F90-I94 HydrophobicContact CE2-CD1 4.46Å; F90-I94 HydrophobicContact CZ-CD1 3.7Å; F90-I94 HydrophobicContact CZ-CG1 4.33Å; F90-I94 PolarHBondContact O-N 3.02Å; T91-I94 PolarHBondContact O-N 3.24Å; I94-A96 VanDerWaalsContact C-N 3.31Å; I94-A96 PolarHBondContact O-N 2.81Å; I94-V97 PolarHBondContact O-N 2.77Å; I94-V98 WeakPolarHBondContact O-CG2 3.33Å; I94-V98 PolarHBondContact O-N 2.75Å |
| 95 | F | 81.5 | Confident | 77.1 | Confident | 61 Ų | 61 | 55.7 Ų | 55.7 | 27% | 0.268 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.9 | -33.4 | 178.4 | -76.9 | -72 | 0 | 0 | 0 | 112.4 | F61 P62 V65 T91 T93 V98 G99 | F61-F95 HydrophobicContact CB-CD1 4.02Å; F61-F95 HydrophobicContact CB-CE1 3.98Å; P62-F95 WeakPolarHBondContact CG-O 3.33Å; V65-F95 HydrophobicContact CB-CD2 4.3Å; V65-F95 HydrophobicContact CB-CG 4.5Å; V65-F95 HydrophobicContact CG1-CD2 4.09Å; V65-F95 HydrophobicContact CG2-CD1 4.43Å; V65-F95 HydrophobicContact CG2-CD2 3.66Å; V65-F95 HydrophobicContact CG2-CE2 3.82Å; V65-F95 HydrophobicContact CG2-CG 4Å; V65-F95 HydrophobicContact CG2-CZ 4.28Å; T91-F95 HydrophobicContact CG2-CD2 3.67Å; T91-F95 HydrophobicContact CG2-CE2 3.57Å; T91-F95 WeakPolarHBondContact O-CD2 3.36Å; T91-F95 PolarHBondContact O-N 3.35Å; T91-F95 VanDerWaalsContact O-N 3.08Å; T93-F95 VanDerWaalsContact C-N 3.35Å; T93-F95 PolarHBondContact O-N 2.87Å; F95-V98 PolarHBondContact O-N 3.42Å; F95-G99 PolarHBondContact O-N 3.42Å |
| 96 | A | 82.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.2 | -38.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F66 S92 T93 I94 G99 F100 Q177 V178 | F66-A96 HydrophobicContact CZ-CB 4.11Å; S92-A96 WeakPolarHBondContact O-CB 3.32Å; S92-A96 PolarHBondContact O-N 2.85Å; T93-A96 WeakPolarHBondContact O-CB 3.46Å; T93-A96 PolarHBondContact O-N 2.89Å; I94-A96 VanDerWaalsContact C-N 3.31Å; I94-A96 PolarHBondContact O-N 2.81Å; A96-G99 PolarHBondContact O-N 3.38Å; A96-F100 WeakPolarHBondContact O-CB 3.31Å; A96-F100 PolarHBondContact O-N 2.7Å; A96-Q177 HydrophobicContact CB-CB 4.08Å; A96-Q177 HydrophobicContact CB-CG 3.8Å; A96-V178 HydrophobicContact CB-CG2 3.84Å |
| 97 | V | 85.8 | Confident | 79.5 | Confident | 62 Ų | 62 | 47.3 Ų | 47.3 | 38% | 0.376 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.6 | -45.2 | 173.7 | 174.1 | 0 | 0 | 0 | 0 | 111 | T93 I94 G99 F100 L101 V178 | T93-V97 WeakPolarHBondContact O-CG2 3.36Å; T93-V97 PolarHBondContact O-N 3.37Å; I94-V97 PolarHBondContact O-N 2.77Å; V97-G99 VanDerWaalsContact C-N 3.31Å; V97-G99 PolarHBondContact O-N 3.15Å; V97-F100 WeakPolarHBondContact O-CB 3.41Å; V97-F100 PolarHBondContact O-N 2.94Å; V97-L101 HydrophobicContact CG1-CD1 4.32Å; V97-L101 WeakPolarHBondContact O-CG 3.29Å; V97-L101 PolarHBondContact O-N 3.29Å; V97-V178 HydrophobicContact CG2-CG1 4.36Å; V97-V178 HydrophobicContact CG2-CG2 3.65Å |
| 98 | V | 85.6 | Confident | 80.6 | Confident | 53 Ų | 53 | 45.1 Ų | 45.1 | 32% | 0.321 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60 | -43.9 | 175.7 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | L58 I94 F95 F100 L101 G102 | L58-V98 HydrophobicContact CD2-CG1 3.97Å; I94-V98 WeakPolarHBondContact O-CG2 3.33Å; I94-V98 PolarHBondContact O-N 2.75Å; F95-V98 PolarHBondContact O-N 3.42Å; V98-F100 PolarHBondContact O-N 3.38Å; V98-L101 PolarHBondContact O-N 3.2Å; V98-G102 PolarHBondContact O-N 3.45Å |
| 99 | G | 83.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.7 | -38.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | F95 A96 V97 G102 A103 | F95-G99 PolarHBondContact O-N 3.42Å; A96-G99 PolarHBondContact O-N 3.38Å; V97-G99 VanDerWaalsContact C-N 3.31Å; V97-G99 PolarHBondContact O-N 3.15Å; G99-G102 PolarHBondContact O-N 2.93Å; G99-A103 VanDerWaalsContact O-CB 3.25Å; G99-A103 WeakPolarHBondContact O-CB 3.42Å; G99-A103 PolarHBondContact O-N 3.23Å |
| 100 | F | 87.8 | Confident | 82.3 | Confident | 79 Ų | 79 | 43.3 Ų | 43.3 | 35% | 0.346 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.1 | -46.3 | 174.2 | -177.7 | -90.4 | 0 | 0 | 0 | 111.8 | A96 V97 V98 A103 G104 M171 C174 A175 | A96-F100 WeakPolarHBondContact O-CB 3.31Å; A96-F100 PolarHBondContact O-N 2.7Å; V97-F100 WeakPolarHBondContact O-CB 3.41Å; V97-F100 PolarHBondContact O-N 2.94Å; V98-F100 PolarHBondContact O-N 3.38Å; F100-A103 PolarHBondContact O-N 3Å; F100-G104 PolarHBondContact O-N 2.91Å; F100-M171 HydrophobicContact CD2-CB 4.04Å; F100-M171 HydrophobicContact CD2-CG 4.23Å; F100-M171 VanDerWaalsContact CD2-O 3.3Å; F100-M171 WeakPolarHBondContact CD2-O 3.48Å; F100-M171 HydrophobicContact CE2-CB 3.82Å; F100-M171 HydrophobicContact CE2-CG 4.11Å; F100-C174 HydrophobicContact CB-CB 3.93Å; F100-C174 HydrophobicContact CD2-CB 4.36Å; F100-A175 HydrophobicContact CD2-CB 4.29Å; F100-A175 HydrophobicContact CE2-CB 4.17Å |
| 101 | L | 87.4 | Confident | 83 | Confident | 113 Ų | 113 | 39.2 Ų | 39.2 | 59% | 0.592 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -64.6 | -42.2 | 177.4 | -66.4 | 174.6 | 0 | 0 | 0 | 111.7 | V97 V98 G104 Y105 | V97-L101 HydrophobicContact CG1-CD1 4.32Å; V97-L101 WeakPolarHBondContact O-CG 3.29Å; V97-L101 PolarHBondContact O-N 3.29Å; V98-L101 PolarHBondContact O-N 3.2Å; L101-G104 PolarHBondContact O-N 2.88Å; L101-Y105 WeakPolarHBondContact O-CB 3.31Å; L101-Y105 PolarHBondContact O-N 3.26Å |
| 102 | G | 83.2 | Confident | 83.6 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63 | -46.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | G54 V98 G99 Y105 S106 | G54-G102 CarbonylContact C-O 3.51Å; G54-G102 WeakPolarHBondContact CA-O 3.47Å; G54-G102 CarbonylContact O-C 3.58Å; V98-G102 PolarHBondContact O-N 3.45Å; G99-G102 PolarHBondContact O-N 2.93Å; G102-Y105 PolarHBondContact O-N 3.48Å; G102-S106 PolarHBondContact O-N 3.47Å |
| 103 | A | 84.6 | Confident | 84 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.1 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G99 F100 S106 F107 Q170 M171 | G99-A103 VanDerWaalsContact O-CB 3.25Å; G99-A103 WeakPolarHBondContact O-CB 3.42Å; G99-A103 PolarHBondContact O-N 3.23Å; F100-A103 PolarHBondContact O-N 3Å; A103-S106 PolarHBondContact O-N 3.17Å; A103-F107 WeakPolarHBondContact O-CB 3.25Å; A103-F107 PolarHBondContact O-N 3.35Å; A103-Q170 HydrophobicContact CB-CB 3.86Å; A103-M171 HydrophobicContact CB-CG 3.86Å |
| 104 | G | 85.8 | Confident | 84.1 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 12% | 0.124 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.8 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F100 L101 F107 I108 M171 | F100-G104 PolarHBondContact O-N 2.91Å; L101-G104 PolarHBondContact O-N 2.88Å; G104-F107 WeakPolarHBondContact O-CB 3.47Å; G104-F107 PolarHBondContact O-N 3.3Å; G104-I108 WeakPolarHBondContact O-CG1 3.41Å; G104-I108 PolarHBondContact O-N 2.98Å; G104-M171 WeakPolarHBondContact CA-SD 3.45Å |
| 105 | Y | 83.4 | Confident | 84 | Confident | 97 Ų | 97 | 46.1 Ų | 46.1 | 38% | 0.38 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62 | -46.3 | 172.9 | 177 | -114.5 | 0 | 0 | 0 | 111.3 | G50 L101 G102 F107 I108 V109 | G50-Y105 VanDerWaalsContact CA-OH 3.28Å; G50-Y105 WeakPolarHBondContact CA-OH 3.35Å; G50-Y105 WeakPolarHBondContact O-CD1 3.34Å; G50-Y105 WeakPolarHBondContact O-CE1 3.3Å; L101-Y105 WeakPolarHBondContact O-CB 3.31Å; L101-Y105 PolarHBondContact O-N 3.26Å; G102-Y105 PolarHBondContact O-N 3.48Å; Y105-F107 VanDerWaalsContact C-N 3.3Å; Y105-F107 PolarHBondContact O-N 2.87Å; Y105-I108 PolarHBondContact O-N 3.33Å; Y105-V109 HydrophobicContact CD2-CG2 4.12Å; Y105-V109 HydrophobicContact CE1-CG2 4.37Å; Y105-V109 HydrophobicContact CE2-CG2 3.74Å; Y105-V109 VanDerWaalsContact O-CG2 3.3Å; Y105-V109 WeakPolarHBondContact O-CG2 3.47Å; Y105-V109 PolarHBondContact O-N 3Å |
| 106 | S | 81.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -38.7 | 175.3 | -168.5 | 0 | 0 | 0 | 0 | 112.5 | S55 G102 A103 S110 | S55-S106 WeakPolarHBondContact CB-OG 3.45Å; S55-S106 PolarHBondContact OG-OG 3.39Å; G102-S106 PolarHBondContact O-N 3.47Å; A103-S106 PolarHBondContact O-N 3.17Å; S106-S110 WeakPolarHBondContact O-CB 3.25Å; S106-S110 PolarHBondContact O-N 3.29Å; S106-S110 PolarHBondContact O-OG 3.27Å |
| 107 | F | 86.4 | Confident | 83.5 | Confident | 69 Ų | 69 | 47.6 Ų | 47.6 | 30% | 0.303 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.8 | -49.6 | 177.3 | -178.7 | -88.6 | 0 | 0 | 0 | 111.7 | A103 G104 Y105 S110 A111 L164 M171 | A103-F107 WeakPolarHBondContact O-CB 3.25Å; A103-F107 PolarHBondContact O-N 3.35Å; G104-F107 WeakPolarHBondContact O-CB 3.47Å; G104-F107 PolarHBondContact O-N 3.3Å; Y105-F107 VanDerWaalsContact C-N 3.3Å; Y105-F107 PolarHBondContact O-N 2.87Å; F107-S110 PolarHBondContact O-N 3.2Å; F107-A111 PolarHBondContact O-N 3.3Å; F107-L164 HydrophobicContact CD2-CD2 4.19Å; F107-L164 HydrophobicContact CD2-CG 3.93Å; F107-L164 WeakPolarHBondContact CD2-O 3.35Å; F107-L164 HydrophobicContact CE2-CD2 3.51Å; F107-L164 HydrophobicContact CE2-CG 3.7Å; F107-L164 HydrophobicContact CZ-CD2 4.1Å; F107-L164 HydrophobicContact CZ-CG 4.29Å; F107-M171 HydrophobicContact CB-CE 3.96Å; F107-M171 HydrophobicContact CD1-CE 4.17Å; F107-M171 HydrophobicContact CD2-CE 3.76Å; F107-M171 HydrophobicContact CE2-CE 4.29Å; F107-M171 HydrophobicContact CG-CE 3.69Å |
| 108 | I | 86.1 | Confident | 83.1 | Confident | 101 Ų | 101 | 45.6 Ų | 45.6 | 52% | 0.518 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63 | -47 | -180 | -67.1 | 166.3 | 0 | 0 | 0 | 110.5 | G104 Y105 S110 A111 I112 | G104-I108 WeakPolarHBondContact O-CG1 3.41Å; G104-I108 PolarHBondContact O-N 2.98Å; Y105-I108 PolarHBondContact O-N 3.33Å; I108-S110 VanDerWaalsContact C-N 3.34Å; I108-S110 PolarHBondContact O-N 3.24Å; I108-A111 PolarHBondContact O-N 3.23Å; I108-I112 HydrophobicContact CG2-CD1 3.75Å; I108-I112 HydrophobicContact CG2-CG1 4.44Å; I108-I112 WeakPolarHBondContact O-CG1 3.44Å; I108-I112 PolarHBondContact O-N 3.46Å |
| 109 | V | 83.3 | Confident | 82.5 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.7 | -45.1 | 178.7 | 173 | 0 | 0 | 0 | 0 | 110.6 | F48 Y105 A111 I112 S113 | F48-V109 HydrophobicContact CD1-CG1 4.33Å; F48-V109 HydrophobicContact CE1-CG1 4.12Å; F48-V109 HydrophobicContact CE1-CG2 3.87Å; Y105-V109 HydrophobicContact CD2-CG2 4.12Å; Y105-V109 HydrophobicContact CE1-CG2 4.37Å; Y105-V109 HydrophobicContact CE2-CG2 3.74Å; Y105-V109 VanDerWaalsContact O-CG2 3.3Å; Y105-V109 WeakPolarHBondContact O-CG2 3.47Å; Y105-V109 PolarHBondContact O-N 3Å; V109-A111 VanDerWaalsContact C-N 3.33Å; V109-A111 PolarHBondContact O-N 2.94Å; V109-I112 PolarHBondContact O-N 2.99Å; V109-S113 WeakPolarHBondContact O-CB 3.42Å; V109-S113 PolarHBondContact O-N 3.46Å; V109-S113 PolarHBondContact O-OG 3.36Å; V109-S113 VanDerWaalsContact O-OG 3.06Å |
| 110 | S | 84.1 | Confident | 82.1 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 177.6 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | S106 F107 I108 S113 I114 | S106-S110 WeakPolarHBondContact O-CB 3.25Å; S106-S110 PolarHBondContact O-N 3.29Å; S106-S110 PolarHBondContact O-OG 3.27Å; F107-S110 PolarHBondContact O-N 3.2Å; I108-S110 VanDerWaalsContact C-N 3.34Å; I108-S110 PolarHBondContact O-N 3.24Å; S110-S113 PolarHBondContact O-N 3.25Å; S110-I114 VanDerWaalsContact O-CG1 3.24Å; S110-I114 WeakPolarHBondContact O-CG1 3.38Å; S110-I114 PolarHBondContact O-N 3.42Å |
| 111 | A | 85.4 | Confident | 81.5 | Confident | 28 Ų | 28 | 44.3 Ų | 44.3 | 23% | 0.231 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.6 | -40 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F107 I108 V109 N115 L164 | F107-A111 PolarHBondContact O-N 3.3Å; I108-A111 PolarHBondContact O-N 3.23Å; V109-A111 VanDerWaalsContact C-N 3.33Å; V109-A111 PolarHBondContact O-N 2.94Å; A111-N115 PolarHBondContact O-N 3.26Å; A111-N115 VanDerWaalsContact O-N 3.09Å; A111-N115 PolarHBondContact O-ND2 3.23Å; A111-N115 VanDerWaalsContact O-ND2 3.11Å; A111-L164 HydrophobicContact CB-CD1 4.01Å |
| 112 | I | 83.8 | Confident | 80.9 | Confident | 101 Ų | 101 | 41.2 Ų | 41.2 | 52% | 0.518 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -67.2 | -43.9 | 175.8 | -66.6 | 169.2 | 0 | 0 | 0 | 110.4 | I108 V109 I114 N115 K116 | I108-I112 HydrophobicContact CG2-CD1 3.75Å; I108-I112 HydrophobicContact CG2-CG1 4.44Å; I108-I112 WeakPolarHBondContact O-CG1 3.44Å; I108-I112 PolarHBondContact O-N 3.46Å; V109-I112 PolarHBondContact O-N 2.99Å; I112-I114 VanDerWaalsContact C-N 3.32Å; I112-I114 PolarHBondContact O-N 3.19Å; I112-N115 PolarHBondContact O-N 3.28Å; I112-K116 WeakPolarHBondContact O-CB 3.11Å; I112-K116 PolarHBondContact O-N 2.86Å |
| 113 | S | 80.8 | Confident | 80.3 | Confident | 35 Ų | 35 | 45.1 Ų | 45.1 | 25% | 0.245 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.3 | -38.1 | 177.9 | -65.3 | 0 | 0 | 0 | 0 | 112.4 | V109 S110 G117 | V109-S113 WeakPolarHBondContact O-CB 3.42Å; V109-S113 PolarHBondContact O-N 3.46Å; V109-S113 PolarHBondContact O-OG 3.36Å; V109-S113 VanDerWaalsContact O-OG 3.06Å; S110-S113 PolarHBondContact O-N 3.25Å; S113-G117 PolarHBondContact O-N 3.06Å |
| 114 | I | 81.9 | Confident | 79.8 | Confident | 20 Ų | 20 | 51.3 Ų | 51.3 | 10% | 0.103 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 172.9 | -69.1 | 165.2 | 0 | 0 | 0 | 110.5 | S110 I112 K116 Y136 L137 L157 F160 L164 | S110-I114 VanDerWaalsContact O-CG1 3.24Å; S110-I114 WeakPolarHBondContact O-CG1 3.38Å; S110-I114 PolarHBondContact O-N 3.42Å; I112-I114 VanDerWaalsContact C-N 3.32Å; I112-I114 PolarHBondContact O-N 3.19Å; I114-K116 PolarHBondContact O-N 3.49Å; I114-Y136 VanDerWaalsContact O-CE1 3.3Å; I114-Y136 WeakPolarHBondContact O-CE1 3.26Å; I114-Y136 VanDerWaalsContact O-CZ 3.29Å; I114-Y136 PolarHBondContact O-OH 3.1Å; I114-L137 HydrophobicContact CG2-CD1 4.09Å; I114-L137 HydrophobicContact CG2-CD2 4.15Å; I114-L157 HydrophobicContact CG1-CD1 4.23Å; I114-L157 HydrophobicContact CG2-CD1 3.81Å; I114-F160 HydrophobicContact CD1-CB 3.99Å; I114-F160 HydrophobicContact CG1-CB 3.68Å; I114-L164 HydrophobicContact CD1-CD1 3.96Å |
| 115 | N | 80.8 | Confident | 79.3 | Confident | 116 Ų | 116 | 55.5 Ų | 55.5 | 62% | 0.62 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -68.6 | -36.1 | 179.5 | -78.5 | -50.2 | 0 | 0 | 0 | 113.1 | A111 I112 | A111-N115 PolarHBondContact O-N 3.26Å; A111-N115 VanDerWaalsContact O-N 3.09Å; A111-N115 PolarHBondContact O-ND2 3.23Å; A111-N115 VanDerWaalsContact O-ND2 3.11Å; I112-N115 PolarHBondContact O-N 3.28Å |
| 116 | K | 78.3 | Confident | 78.9 | Confident | 85 Ų | 85 | 54 Ų | 54 | 37% | 0.37 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -77.4 | -29.5 | -178.7 | -168.6 | 166.3 | -179.3 | 173.1 | 0 | 113.1 | I112 I114 Y129 | I112-K116 WeakPolarHBondContact O-CB 3.11Å; I112-K116 PolarHBondContact O-N 2.86Å; I114-K116 PolarHBondContact O-N 3.49Å; K116-Y129 HydrophobicContact CD-CE1 4.45Å; K116-Y129 HydrophobicContact CG-CD1 4.07Å; K116-Y129 HydrophobicContact CG-CE1 4.16Å |
| 117 | G | 75.1 | Confident | 78.4 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 8% | 0.082 | 33% | 0.33 | C | S | . | . | trans | 73.1 | 165.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S113 Y129 | S113-G117 PolarHBondContact O-N 3.06Å; G117-Y129 WeakPolarHBondContact O-CD1 3.06Å; G117-Y129 WeakPolarHBondContact O-CE1 3.32Å | ||
| 118 | P | 76.1 | Confident | 77.7 | Confident | 19 Ų | 19 | 57.4 Ų | 57.4 | 12% | 0.123 | 32% | 0.322 | C | S | . | . | trans | -75.2 | 150.6 | 177.7 | 31.3 | -33.4 | 0 | 0 | 0 | 111.3 | V152 I153 N156 | P118-V152 HydrophobicContact CB-CG2 4.33Å; P118-V152 HydrophobicContact CG-CG1 4.48Å; P118-I153 HydrophobicContact CG-CG1 4.12Å; P118-N156 HydrophobicContact CB-CB 4.41Å | ||
| 119 | K | 73.6 | Confident | 76.9 | Confident | 75 Ų | 75 | 55.8 Ų | 55.8 | 33% | 0.326 | 31% | 0.309 | S | S | . | . | trans | -72.1 | 134.3 | 169.6 | -170.4 | 175.6 | 174.9 | 173.6 | 0 | 109.5 | S43 W127 Y129 | S43-K119 PolarHBondContact OG-NZ 3.48Å; K119-W127 HydrophobicContact CG-CE3 4.39Å; K119-Y129 HydrophobicContact CB-CD1 4.47Å; K119-Y129 HydrophobicContact CB-CE1 3.96Å | ||
| 120 | C | 75.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 169.7 | 174.5 | 60.1 | 0 | 0 | 0 | 0 | 113.5 | M122 G128 C146 V152 | C120-M122 PolarHBondContact O-N 3.09Å; C120-G128 PolarHBondContact N-O 3.34Å; C120-G128 PolarHBondContact O-N 3.18Å; C120-G128 VanDerWaalsContact O-N 3.14Å; C120-C146 HydrophobicContact CB-CB 4.17Å; C120-C146 WeakPolarHBondContact CB-SG 3.43Å; C120-C146 VanDerWaalsContact SG-CA 3.57Å; C120-C146 WeakPolarHBondContact SG-CB 3.33Å; C120-C146 CovalentContact SG-SG 2.02Å; C120-C146 PolarHBondContact SG-SG 3.49Å; C120-V152 HydrophobicContact CB-CG1 4.4Å |
| 121 | L | 74.3 | Confident | 75.3 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 16% | 0.157 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 112.5 | 175.6 | -169.7 | 72.4 | 0 | 0 | 0 | 109.2 | W127 K147 E148 | L121-W127 HydrophobicContact CB-CD2 4.42Å; L121-W127 HydrophobicContact CB-CH2 4.49Å; L121-W127 HydrophobicContact CB-CZ2 4.34Å; L121-W127 HydrophobicContact CD1-CD2 4.24Å; L121-W127 HydrophobicContact CD1-CG 4.17Å; L121-K147 PolarHBondContact O-N 2.87Å; L121-E148 HydrophobicContact CB-CB 4.41Å; L121-E148 PolarHBondContact N-O 3.44Å |
| 122 | M | 74.5 | Confident | 74.3 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 24% | 0.241 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 163.1 | 176.2 | -69 | 177.7 | -71.1 | 0 | 0 | 111 | C120 N124 S125 T126 P130 E145 | C120-M122 PolarHBondContact O-N 3.09Å; M122-N124 PolarHBondContact O-N 2.85Å; M122-S125 PolarHBondContact O-N 2.9Å; M122-T126 PolarHBondContact N-O 2.94Å; M122-P130 HydrophobicContact CG-CB 4.06Å; M122-P130 HydrophobicContact CG-CG 4.15Å; M122-P130 HydrophobicContact SD-CB 3.87Å; M122-P130 HydrophobicContact SD-CG 4.41Å; M122-E145 WeakPolarHBondContact CA-O 3.37Å |
| 123 | A | 71.3 | Confident | 73.3 | Confident | 82 Ų | 82 | 64.5 Ų | 64.5 | 68% | 0.678 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -20.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S125 E145 | A123-S125 VanDerWaalsContact C-N 3.26Å; A123-S125 PolarHBondContact O-N 2.7Å; A123-E145 PolarHBondContact N-O 2.85Å |
| 124 | N | 74.1 | Confident | 72.5 | Confident | 131 Ų | 131 | 64.3 Ų | 64.3 | 70% | 0.701 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 14.6 | 175.2 | -163.8 | 16 | 0 | 0 | 0 | 113.8 | M122 T126 | M122-N124 PolarHBondContact O-N 2.85Å; N124-T126 PolarHBondContact O-N 3.07Å; N124-T126 VanDerWaalsContact O-N 3.08Å |
| 125 | S | 75 | Confident | 72 | Confident | 99 Ų | 99 | 67.6 Ų | 67.6 | 69% | 0.692 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 57.4 | 21.4 | -175.6 | -57.2 | 0 | 0 | 0 | 0 | 114.3 | M122 A123 | M122-S125 PolarHBondContact O-N 2.9Å; A123-S125 VanDerWaalsContact C-N 3.26Å; A123-S125 PolarHBondContact O-N 2.7Å |
| 126 | T | 75.9 | Confident | 71.8 | Confident | 66 Ų | 66 | 62.4 Ų | 62.4 | 41% | 0.405 | 34% | 0.342 | S | S | . | . | trans | -108.2 | 137 | 176.9 | 51.4 | 0 | 0 | 0 | 0 | 110.3 | M122 N124 | M122-T126 PolarHBondContact N-O 2.94Å; N124-T126 PolarHBondContact O-N 3.07Å; N124-T126 VanDerWaalsContact O-N 3.08Å | ||
| 127 | W | 71.8 | Confident | 71.7 | Confident | 128 Ų | 128 | 61.7 Ų | 61.7 | 49% | 0.485 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 120.9 | 174.9 | -73.2 | 90.5 | 0 | 0 | 0 | 110.2 | K119 L121 | K119-W127 HydrophobicContact CG-CE3 4.39Å; L121-W127 HydrophobicContact CB-CD2 4.42Å; L121-W127 HydrophobicContact CB-CH2 4.49Å; L121-W127 HydrophobicContact CB-CZ2 4.34Å; L121-W127 HydrophobicContact CD1-CD2 4.24Å; L121-W127 HydrophobicContact CD1-CG 4.17Å |
| 128 | G | 69.9 | Low | 71.8 | Confident | 13 Ų | 13 | 67.7 Ų | 67.7 | 13% | 0.134 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | -170.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | C120 P130 | C120-G128 PolarHBondContact N-O 3.34Å; C120-G128 PolarHBondContact O-N 3.18Å; C120-G128 VanDerWaalsContact O-N 3.14Å; G128-P130 VanDerWaalsContact O-CD 3.26Å; G128-P130 WeakPolarHBondContact O-CD 3.37Å |
| 129 | Y | 70.3 | Confident | 71.9 | Confident | 66 Ų | 66 | 70.7 Ų | 70.7 | 26% | 0.259 | 39% | 0.387 | S | S | . | . | trans | -108.1 | 88.5 | 175.8 | -68 | -83.4 | 0 | 0 | 0 | 108.1 | E45 K116 G117 K119 F131 | E45-Y129 PolarHBondContact OE1-OH 3.26Å; K116-Y129 HydrophobicContact CD-CE1 4.45Å; K116-Y129 HydrophobicContact CG-CD1 4.07Å; K116-Y129 HydrophobicContact CG-CE1 4.16Å; G117-Y129 WeakPolarHBondContact O-CD1 3.06Å; G117-Y129 WeakPolarHBondContact O-CE1 3.32Å; K119-Y129 HydrophobicContact CB-CD1 4.47Å; K119-Y129 HydrophobicContact CB-CE1 3.96Å; Y129-F131 PolarHBondContact O-N 3.13Å | ||
| 130 | P | 66.1 | Low | 72.1 | Confident | 26 Ų | 26 | 73.9 Ų | 73.9 | 17% | 0.169 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -64.3 | -21.6 | -179.9 | 23.8 | -31.2 | 0 | 0 | 0 | 112.3 | M122 G128 H132 | M122-P130 HydrophobicContact CG-CB 4.06Å; M122-P130 HydrophobicContact CG-CG 4.15Å; M122-P130 HydrophobicContact SD-CB 3.87Å; M122-P130 HydrophobicContact SD-CG 4.41Å; G128-P130 VanDerWaalsContact O-CD 3.26Å; G128-P130 WeakPolarHBondContact O-CD 3.37Å; P130-H132 PolarHBondContact O-N 3.17Å |
| 131 | F | 67.4 | Low | 72.2 | Confident | 4 Ų | 4 | 77.1 Ų | 77.1 | 2% | 0.018 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -90.4 | 10.8 | -173.8 | -50.8 | -57.8 | 0 | 0 | 0 | 114.9 | Y129 D133 Y136 L142 C146 I153 | Y129-F131 PolarHBondContact O-N 3.13Å; F131-D133 VanDerWaalsContact C-N 3.27Å; F131-D133 PolarHBondContact O-N 3.46Å; F131-Y136 HydrophobicContact CB-CD1 3.62Å; F131-Y136 HydrophobicContact CB-CE1 4.14Å; F131-Y136 HydrophobicContact CB-CG 3.98Å; F131-Y136 HydrophobicContact CD1-CD1 4.19Å; F131-Y136 HydrophobicContact CD1-CD2 4.22Å; F131-Y136 AromaticContact CD1-CG 3.65Å; F131-Y136 HydrophobicContact CD1-CG 3.65Å; F131-Y136 HydrophobicContact CD2-CG 4.45Å; F131-Y136 HydrophobicContact CE1-CD2 4.47Å; F131-Y136 HydrophobicContact CE1-CG 4.26Å; F131-Y136 AromaticContact CG-CD1 3.91Å; F131-Y136 HydrophobicContact CG-CD1 3.91Å; F131-Y136 HydrophobicContact CG-CD2 4.23Å; F131-Y136 AromaticContact CG-CG 3.74Å; F131-Y136 HydrophobicContact CG-CG 3.74Å; F131-L142 HydrophobicContact CD1-CB 4.41Å; F131-L142 HydrophobicContact CE1-CB 4.03Å; F131-L142 WeakPolarHBondContact CE1-O 3.46Å; F131-C146 HydrophobicContact CZ-CB 4.3Å; F131-I153 HydrophobicContact CE1-CD1 4.48Å; F131-I153 HydrophobicContact CE2-CD1 3.88Å; F131-I153 HydrophobicContact CE2-CG1 4.03Å; F131-I153 HydrophobicContact CZ-CD1 3.45Å; F131-I153 VanDerWaalsContact CZ-CD1 3.45Å; F131-I153 HydrophobicContact CZ-CG1 4.12Å |
| 132 | H | 63.9 | Low | 72.1 | Confident | 137 Ų | 137 | 77.8 Ų | 77.8 | 63% | 0.634 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -67 | -27.9 | -174.7 | -159.3 | 34.6 | 0 | 0 | 0 | 113.5 | P130 | P130-H132 PolarHBondContact O-N 3.17Š|
| 133 | D | 62.7 | Low | 72.2 | Confident | 166 Ų | 166 | 78.2 Ų | 78.2 | 89% | 0.888 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -119.6 | 0.3 | -176.2 | -77.6 | -63.7 | 0 | 0 | 0 | 114.3 | F131 | F131-D133 VanDerWaalsContact C-N 3.27Å; F131-D133 PolarHBondContact O-N 3.46Å |
| 134 | G | 64.3 | Low | 72.3 | Confident | 30 Ų | 30 | 82.4 Ų | 82.4 | 31% | 0.309 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -121.8 | 142.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y136 | G134-Y136 PolarHBondContact O-N 3.21Š|
| 135 | D | 72.1 | Confident | 72.3 | Confident | 90 Ų | 90 | 80.6 Ų | 80.6 | 48% | 0.481 | 42% | 0.423 | S | S | . | . | trans | -77.9 | 71.8 | 176 | -170.6 | -2.5 | 0 | 0 | 0 | 111.6 | L137 N138 D139 | D135-L137 PolarHBondContact O-N 3.34Å; D135-L137 PolarHBondContact OD1-N 3.43Å; D135-N138 PolarHBondContact O-N 3Å; D135-N138 PolarHBondContact OD1-N 2.91Å; D135-N138 PolarHBondContact OD1-ND2 3.34Å; D135-N138 PolarHBondContact OD2-ND2 3.48Å; D135-D139 PolarHBondContact O-N 3.42Å | ||
| 136 | Y | 75.8 | Confident | 72.3 | Confident | 7 Ų | 7 | 76.7 Ų | 76.7 | 3% | 0.027 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -9.4 | -179.8 | 84.7 | -81.9 | 0 | 0 | 0 | 113.7 | I114 F131 G134 W143 I153 | I114-Y136 VanDerWaalsContact O-CE1 3.3Å; I114-Y136 WeakPolarHBondContact O-CE1 3.26Å; I114-Y136 VanDerWaalsContact O-CZ 3.29Å; I114-Y136 PolarHBondContact O-OH 3.1Å; F131-Y136 HydrophobicContact CB-CD1 3.62Å; F131-Y136 HydrophobicContact CB-CE1 4.14Å; F131-Y136 HydrophobicContact CB-CG 3.98Å; F131-Y136 HydrophobicContact CD1-CD1 4.19Å; F131-Y136 HydrophobicContact CD1-CD2 4.22Å; F131-Y136 AromaticContact CD1-CG 3.65Å; F131-Y136 HydrophobicContact CD1-CG 3.65Å; F131-Y136 HydrophobicContact CD2-CG 4.45Å; F131-Y136 HydrophobicContact CE1-CD2 4.47Å; F131-Y136 HydrophobicContact CE1-CG 4.26Å; F131-Y136 AromaticContact CG-CD1 3.91Å; F131-Y136 HydrophobicContact CG-CD1 3.91Å; F131-Y136 HydrophobicContact CG-CD2 4.23Å; F131-Y136 AromaticContact CG-CG 3.74Å; F131-Y136 HydrophobicContact CG-CG 3.74Å; G134-Y136 PolarHBondContact O-N 3.21Å; Y136-W143 AromaticContact CD2-NE1 3.75Å; Y136-W143 PolarHBondContact O-NE1 3.44Å; Y136-I153 HydrophobicContact CD2-CG2 4.07Å; Y136-I153 HydrophobicContact CE2-CG2 3.94Å |
| 137 | L | 77.6 | Confident | 72.1 | Confident | 70 Ų | 70 | 80.6 Ų | 80.6 | 37% | 0.366 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -38.8 | 174.9 | -62.1 | 179.6 | 0 | 0 | 0 | 111 | I114 D135 L157 | I114-L137 HydrophobicContact CG2-CD1 4.09Å; I114-L137 HydrophobicContact CG2-CD2 4.15Å; D135-L137 PolarHBondContact O-N 3.34Å; D135-L137 PolarHBondContact OD1-N 3.43Å; L137-L157 HydrophobicContact CD2-CD1 3.51Å; L137-L157 HydrophobicContact CD2-CD2 3.88Å; L137-L157 HydrophobicContact CD2-CG 4.37Å |
| 138 | N | 76.3 | Confident | 72 | Confident | 133 Ų | 133 | 80.2 Ų | 80.2 | 71% | 0.711 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -39.6 | 176.3 | -77.8 | -65.5 | 0 | 0 | 0 | 112.2 | D135 | D135-N138 PolarHBondContact O-N 3Å; D135-N138 PolarHBondContact OD1-N 2.91Å; D135-N138 PolarHBondContact OD1-ND2 3.34Å; D135-N138 PolarHBondContact OD2-ND2 3.48Å |
| 139 | D | 79.1 | Confident | 71.8 | Confident | 83 Ų | 83 | 81.2 Ų | 81.2 | 44% | 0.444 | 41% | 0.414 | S | S | . | . | trans | -98.7 | 99.8 | -177.5 | -161.9 | -15.2 | 0 | 0 | 0 | 112.1 | D135 A141 L142 | D135-D139 PolarHBondContact O-N 3.42Å; D139-A141 PolarHBondContact O-N 3.22Å; D139-A141 WeakPolarHBondContact OD1-CB 3.32Å; D139-A141 PolarHBondContact OD1-N 2.88Å; D139-L142 HydrophobicContact CB-CD1 4.04Å; D139-L142 HydrophobicContact CB-CG 4.34Å; D139-L142 PolarHBondContact O-N 3.05Å | ||
| 140 | K | 77.2 | Confident | 71.6 | Confident | 142 Ų | 142 | 83.3 Ų | 83.3 | 62% | 0.617 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -71.4 | -14 | 176.4 | -63 | -167.5 | -178.5 | -171.6 | 0 | 113.2 | L142 W143 | K140-L142 PolarHBondContact O-N 2.88Å; K140-W143 HydrophobicContact CB-CD2 4.49Å; K140-W143 HydrophobicContact CD-CH2 4.45Å; K140-W143 HydrophobicContact CG-CZ2 4.26Å; K140-W143 VanDerWaalsContact O-CB 3.3Å; K140-W143 WeakPolarHBondContact O-CB 3.33Å; K140-W143 PolarHBondContact O-N 3.44Å; K140-W143 VanDerWaalsContact O-N 3.15Å |
| 141 | A | 76 | Confident | 71.9 | Confident | 68 Ų | 68 | 90.1 Ų | 90.1 | 56% | 0.562 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -66.7 | -30.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D139 W143 E144 | D139-A141 PolarHBondContact O-N 3.22Å; D139-A141 WeakPolarHBondContact OD1-CB 3.32Å; D139-A141 PolarHBondContact OD1-N 2.88Å; A141-W143 PolarHBondContact O-N 2.94Å; A141-E144 PolarHBondContact O-N 2.86Å |
| 142 | L | 73.5 | Confident | 72.3 | Confident | 44 Ų | 44 | 90.2 Ų | 90.2 | 23% | 0.23 | 46% | 0.458 | C | S | . | . | G | 310 helix | trans | -63.2 | -20.5 | 174.6 | -68.1 | 169.1 | 0 | 0 | 0 | 112.5 | F131 D139 K140 E144 E145 | F131-L142 HydrophobicContact CD1-CB 4.41Å; F131-L142 HydrophobicContact CE1-CB 4.03Å; F131-L142 WeakPolarHBondContact CE1-O 3.46Å; D139-L142 HydrophobicContact CB-CD1 4.04Å; D139-L142 HydrophobicContact CB-CG 4.34Å; D139-L142 PolarHBondContact O-N 3.05Å; K140-L142 PolarHBondContact O-N 2.88Å; L142-E144 PolarHBondContact O-N 3.47Å; L142-E145 PolarHBondContact O-N 3.49Å |
| 143 | W | 76.7 | Confident | 73 | Confident | 58 Ų | 58 | 84 Ų | 84 | 22% | 0.22 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -68.6 | -21.8 | 179 | -62.1 | 11.5 | 0 | 0 | 0 | 112.1 | Y136 K140 A141 E145 C146 I153 P154 L157 | Y136-W143 AromaticContact CD2-NE1 3.75Å; Y136-W143 PolarHBondContact O-NE1 3.44Å; K140-W143 HydrophobicContact CB-CD2 4.49Å; K140-W143 HydrophobicContact CD-CH2 4.45Å; K140-W143 HydrophobicContact CG-CZ2 4.26Å; K140-W143 VanDerWaalsContact O-CB 3.3Å; K140-W143 WeakPolarHBondContact O-CB 3.33Å; K140-W143 PolarHBondContact O-N 3.44Å; K140-W143 VanDerWaalsContact O-N 3.15Å; A141-W143 PolarHBondContact O-N 2.94Å; W143-E145 VanDerWaalsContact C-N 3.29Å; W143-E145 PolarHBondContact O-N 3.08Å; W143-C146 WeakPolarHBondContact O-CB 3.3Å; W143-C146 PolarHBondContact O-N 3.18Å; W143-I153 HydrophobicContact CB-CD1 3.66Å; W143-I153 HydrophobicContact CD2-CG2 3.98Å; W143-I153 HydrophobicContact CG-CD1 3.83Å; W143-I153 HydrophobicContact CG-CG2 4.2Å; W143-I153 HydrophobicContact CZ2-CG2 4.27Å; W143-P154 HydrophobicContact CH2-CB 4.37Å; W143-P154 HydrophobicContact CZ3-CB 4.07Å; W143-P154 HydrophobicContact CZ3-CG 4.31Å; W143-L157 HydrophobicContact CZ2-CD2 4.28Å |
| 144 | E | 73.6 | Confident | 73.9 | Confident | 170 Ų | 170 | 78 Ų | 78 | 79% | 0.794 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -75 | -15.1 | 177.7 | -60.7 | -143.8 | 147.5 | 0 | 0 | 113.5 | A141 L142 C146 | A141-E144 PolarHBondContact O-N 2.86Å; L142-E144 PolarHBondContact O-N 3.47Å; E144-C146 PolarHBondContact O-N 3.04Å |
| 145 | E | 73.1 | Confident | 74.8 | Confident | 93 Ų | 93 | 80.4 Ų | 80.4 | 44% | 0.435 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -67 | -18 | 172.9 | -67.1 | -160.3 | 144.3 | 0 | 0 | 112.6 | M122 A123 L142 W143 | M122-E145 WeakPolarHBondContact CA-O 3.37Å; A123-E145 PolarHBondContact N-O 2.85Å; L142-E145 PolarHBondContact O-N 3.49Å; W143-E145 VanDerWaalsContact C-N 3.29Å; W143-E145 PolarHBondContact O-N 3.08Å |
| 146 | C | 74.8 | Confident | 75.3 | Confident | 16 Ų | 16 | 77 Ų | 77 | 11% | 0.108 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 91 | -173 | -159.8 | 0 | 0 | 0 | 0 | 109.1 | C120 F131 W143 E144 I153 | C120-C146 HydrophobicContact CB-CB 4.17Å; C120-C146 WeakPolarHBondContact CB-SG 3.43Å; C120-C146 VanDerWaalsContact SG-CA 3.57Å; C120-C146 WeakPolarHBondContact SG-CB 3.33Å; C120-C146 CovalentContact SG-SG 2.02Å; C120-C146 PolarHBondContact SG-SG 3.49Å; F131-C146 HydrophobicContact CZ-CB 4.3Å; W143-C146 WeakPolarHBondContact O-CB 3.3Å; W143-C146 PolarHBondContact O-N 3.18Å; E144-C146 PolarHBondContact O-N 3.04Å; C146-I153 HydrophobicContact CB-CD1 3.69Å; C146-I153 HydrophobicContact CB-CG1 4.42Å |
| 147 | K | 72.6 | Confident | 75.7 | Confident | 149 Ų | 149 | 78.4 Ų | 78.4 | 65% | 0.648 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | -41.6 | -172.6 | -101.6 | -164.7 | 174.8 | -173.1 | 0 | 113.6 | L121 | L121-K147 PolarHBondContact O-N 2.87Å |
| 148 | E | 68.8 | Low | 76.2 | Confident | 120 Ų | 120 | 78.8 Ų | 78.8 | 56% | 0.561 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 142.2 | 179.8 | -77.3 | -177 | 103.4 | 0 | 0 | 111.1 | L121 | L121-E148 HydrophobicContact CB-CB 4.41Å; L121-E148 PolarHBondContact N-O 3.44Å |
| 149 | P | 65.8 | Low | 76.5 | Confident | 33 Ų | 33 | 73.1 Ų | 73.1 | 21% | 0.214 | 36% | 0.364 | C | S | . | . | S | Bend | cis | -80.3 | 148.6 | -3.1 | 19.3 | -16.5 | 0 | 0 | 0 | 114.9 | K151 V152 | P149-K151 PolarHBondContact O-N 3.4Å; P149-V152 HydrophobicContact CG-CB 3.89Å; P149-V152 HydrophobicContact CG-CG1 4.38Å; P149-V152 HydrophobicContact CG-CG2 3.98Å; P149-V152 WeakPolarHBondContact O-CB 3.45Å; P149-V152 VanDerWaalsContact O-CG1 3.29Å; P149-V152 WeakPolarHBondContact O-CG1 3.41Å; P149-V152 PolarHBondContact O-N 2.87Å |
| 150 | D | 66.2 | Low | 76.9 | Confident | 111 Ų | 111 | 70.8 Ų | 70.8 | 59% | 0.594 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 130.1 | 177.5 | -78.3 | -51 | 0 | 0 | 0 | 112.3 | V152 | D150-V152 PolarHBondContact O-N 2.9Š|
| 151 | K | 71.9 | Confident | 77.4 | Confident | 168 Ų | 168 | 66.7 Ų | 66.7 | 73% | 0.73 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 19.5 | 175.7 | -54.1 | 176.7 | -177.3 | 174.6 | 0 | 115 | P149 I153 P154 W155 | P149-K151 PolarHBondContact O-N 3.4Å; K151-I153 VanDerWaalsContact C-N 3.27Å; K151-I153 PolarHBondContact O-N 3.44Å; K151-P154 HydrophobicContact CB-CG 4.04Å; K151-P154 WeakPolarHBondContact O-CD 3.33Å; K151-P154 WeakPolarHBondContact O-CG 3.02Å; K151-W155 VanDerWaalsContact O-CB 3.28Å; K151-W155 WeakPolarHBondContact O-CB 3.39Å; K151-W155 PolarHBondContact O-N 3.44Å |
| 152 | V | 77.1 | Confident | 77.9 | Confident | 6 Ų | 6 | 67 Ų | 67 | 4% | 0.036 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.7 | -34.6 | 176.3 | 70.9 | 0 | 0 | 0 | 0 | 112.8 | P31 P118 C120 P149 D150 N156 | P31-V152 HydrophobicContact CB-CG2 4.38Å; P118-V152 HydrophobicContact CB-CG2 4.33Å; P118-V152 HydrophobicContact CG-CG1 4.48Å; C120-V152 HydrophobicContact CB-CG1 4.4Å; P149-V152 HydrophobicContact CG-CB 3.89Å; P149-V152 HydrophobicContact CG-CG1 4.38Å; P149-V152 HydrophobicContact CG-CG2 3.98Å; P149-V152 WeakPolarHBondContact O-CB 3.45Å; P149-V152 VanDerWaalsContact O-CG1 3.29Å; P149-V152 WeakPolarHBondContact O-CG1 3.41Å; P149-V152 PolarHBondContact O-N 2.87Å; D150-V152 PolarHBondContact O-N 2.9Å; V152-N156 VanDerWaalsContact CG2-ND2 3.28Å; V152-N156 WeakPolarHBondContact CG2-ND2 3.29Å; V152-N156 WeakPolarHBondContact O-CB 3.28Å; V152-N156 PolarHBondContact O-N 2.87Å; V152-N156 PolarHBondContact O-ND2 3.43Å |
| 153 | I | 78.9 | Confident | 78.5 | Confident | 7 Ų | 7 | 65.1 Ų | 65.1 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.6 | -62.2 | 179.7 | -56.4 | 164.9 | 0 | 0 | 0 | 111.2 | P118 F131 Y136 W143 C146 K151 W155 N156 L157 | P118-I153 HydrophobicContact CG-CG1 4.12Å; F131-I153 HydrophobicContact CE1-CD1 4.48Å; F131-I153 HydrophobicContact CE2-CD1 3.88Å; F131-I153 HydrophobicContact CE2-CG1 4.03Å; F131-I153 HydrophobicContact CZ-CD1 3.45Å; F131-I153 VanDerWaalsContact CZ-CD1 3.45Å; F131-I153 HydrophobicContact CZ-CG1 4.12Å; Y136-I153 HydrophobicContact CD2-CG2 4.07Å; Y136-I153 HydrophobicContact CE2-CG2 3.94Å; W143-I153 HydrophobicContact CB-CD1 3.66Å; W143-I153 HydrophobicContact CD2-CG2 3.98Å; W143-I153 HydrophobicContact CG-CD1 3.83Å; W143-I153 HydrophobicContact CG-CG2 4.2Å; W143-I153 HydrophobicContact CZ2-CG2 4.27Å; C146-I153 HydrophobicContact CB-CD1 3.69Å; C146-I153 HydrophobicContact CB-CG1 4.42Å; K151-I153 VanDerWaalsContact C-N 3.27Å; K151-I153 PolarHBondContact O-N 3.44Å; I153-W155 PolarHBondContact O-N 3.32Å; I153-N156 PolarHBondContact O-N 2.97Å; I153-L157 VanDerWaalsContact O-CB 3.23Å; I153-L157 WeakPolarHBondContact O-CB 3.17Å; I153-L157 PolarHBondContact O-N 3.41Å |
| 154 | P | 81.7 | Confident | 79.1 | Confident | 41 Ų | 41 | 64.5 Ų | 64.5 | 27% | 0.266 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.7 | -30.4 | -179.4 | 24.9 | -35.5 | 0 | 0 | 0 | 112.4 | W143 K151 T158 | W143-P154 HydrophobicContact CH2-CB 4.37Å; W143-P154 HydrophobicContact CZ3-CB 4.07Å; W143-P154 HydrophobicContact CZ3-CG 4.31Å; K151-P154 HydrophobicContact CB-CG 4.04Å; K151-P154 WeakPolarHBondContact O-CD 3.33Å; K151-P154 WeakPolarHBondContact O-CG 3.02Å; P154-T158 WeakPolarHBondContact O-CB 3.06Å; P154-T158 PolarHBondContact O-N 3.5Å; P154-T158 PolarHBondContact O-OG1 3.11Å |
| 155 | W | 82.3 | Confident | 79.9 | Confident | 80 Ų | 80 | 60.2 Ų | 60.2 | 30% | 0.303 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.7 | -57.4 | 175.7 | -177.1 | -97.4 | 0 | 0 | 0 | 112.2 | L27 F30 K151 I153 T158 L159 | L27-W155 HydrophobicContact CB-CZ2 4.05Å; L27-W155 HydrophobicContact CD2-CH2 4Å; L27-W155 HydrophobicContact CD2-CZ2 4.13Å; L27-W155 HydrophobicContact CG-CH2 4.48Å; L27-W155 HydrophobicContact CG-CZ2 4.21Å; L27-W155 PolarHBondContact O-NE1 3.45Å; F30-W155 PolarHBondContact O-NE1 3.47Å; K151-W155 VanDerWaalsContact O-CB 3.28Å; K151-W155 WeakPolarHBondContact O-CB 3.39Å; K151-W155 PolarHBondContact O-N 3.44Å; I153-W155 PolarHBondContact O-N 3.32Å; W155-T158 PolarHBondContact O-N 2.99Å; W155-L159 HydrophobicContact CD2-CD1 4.28Å; W155-L159 HydrophobicContact CG-CD1 4.34Å; W155-L159 HydrophobicContact CZ2-CD1 4.17Å; W155-L159 VanDerWaalsContact NE1-CD1 3.34Å; W155-L159 WeakPolarHBondContact O-CG 3.41Å; W155-L159 PolarHBondContact O-N 2.99Å; W155-L159 VanDerWaalsContact O-N 3.08Å |
| 156 | N | 82.3 | Confident | 80.6 | Confident | 17 Ų | 17 | 56.6 Ų | 56.6 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.8 | -44 | 179.9 | -76.4 | -70.7 | 0 | 0 | 0 | 111.5 | P118 V152 I153 T158 L159 F160 | P118-N156 HydrophobicContact CB-CB 4.41Å; V152-N156 VanDerWaalsContact CG2-ND2 3.28Å; V152-N156 WeakPolarHBondContact CG2-ND2 3.29Å; V152-N156 WeakPolarHBondContact O-CB 3.28Å; V152-N156 PolarHBondContact O-N 2.87Å; V152-N156 PolarHBondContact O-ND2 3.43Å; I153-N156 PolarHBondContact O-N 2.97Å; N156-T158 VanDerWaalsContact C-N 3.31Å; N156-T158 PolarHBondContact O-N 3.09Å; N156-L159 PolarHBondContact O-N 3.01Å; N156-F160 HydrophobicContact CB-CD2 4.11Å; N156-F160 HydrophobicContact CB-CE2 4.08Å; N156-F160 WeakPolarHBondContact O-CB 3.19Å; N156-F160 WeakPolarHBondContact O-CD2 3.44Å; N156-F160 PolarHBondContact O-N 3.14Å |
| 157 | L | 85 | Confident | 81.2 | Confident | 37 Ų | 37 | 55.9 Ų | 55.9 | 19% | 0.194 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.2 | -44 | 178.9 | -178.7 | 60.9 | 0 | 0 | 0 | 111.7 | I114 L137 W143 I153 S161 | I114-L157 HydrophobicContact CG1-CD1 4.23Å; I114-L157 HydrophobicContact CG2-CD1 3.81Å; L137-L157 HydrophobicContact CD2-CD1 3.51Å; L137-L157 HydrophobicContact CD2-CD2 3.88Å; L137-L157 HydrophobicContact CD2-CG 4.37Å; W143-L157 HydrophobicContact CZ2-CD2 4.28Å; I153-L157 VanDerWaalsContact O-CB 3.23Å; I153-L157 WeakPolarHBondContact O-CB 3.17Å; I153-L157 PolarHBondContact O-N 3.41Å; L157-S161 WeakPolarHBondContact O-CB 3.44Å; L157-S161 PolarHBondContact O-N 3.32Å |
| 158 | T | 86.6 | Confident | 82 | Confident | 79 Ų | 79 | 49.6 Ų | 49.6 | 49% | 0.485 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.5 | -46.8 | 178.9 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | P154 W155 N156 S161 I162 | P154-T158 WeakPolarHBondContact O-CB 3.06Å; P154-T158 PolarHBondContact O-N 3.5Å; P154-T158 PolarHBondContact O-OG1 3.11Å; W155-T158 PolarHBondContact O-N 2.99Å; N156-T158 VanDerWaalsContact C-N 3.31Å; N156-T158 PolarHBondContact O-N 3.09Å; T158-S161 PolarHBondContact O-N 3.25Å; T158-I162 HydrophobicContact CG2-CD1 3.99Å; T158-I162 VanDerWaalsContact O-CG1 3.3Å; T158-I162 WeakPolarHBondContact O-CG1 2.87Å; T158-I162 PolarHBondContact O-N 3.12Å |
| 159 | L | 84.5 | Confident | 83 | Confident | 13 Ų | 13 | 47.5 Ų | 47.5 | 7% | 0.068 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.3 | -46 | -179 | -70.4 | 173.3 | 0 | 0 | 0 | 112.3 | A24 L27 L28 W155 N156 S161 I162 L163 | A24-L159 HydrophobicContact CB-CD2 4.25Å; L27-L159 HydrophobicContact CB-CD1 3.95Å; L27-L159 HydrophobicContact CB-CD2 3.99Å; L27-L159 HydrophobicContact CD2-CD2 4.31Å; L28-L159 HydrophobicContact CB-CD1 4.35Å; L28-L159 HydrophobicContact CD1-CB 3.89Å; L28-L159 HydrophobicContact CG-CB 4.38Å; L28-L159 HydrophobicContact CG-CD1 4.16Å; W155-L159 HydrophobicContact CD2-CD1 4.28Å; W155-L159 HydrophobicContact CG-CD1 4.34Å; W155-L159 HydrophobicContact CZ2-CD1 4.17Å; W155-L159 VanDerWaalsContact NE1-CD1 3.34Å; W155-L159 WeakPolarHBondContact O-CG 3.41Å; W155-L159 PolarHBondContact O-N 2.99Å; W155-L159 VanDerWaalsContact O-N 3.08Å; N156-L159 PolarHBondContact O-N 3.01Å; L159-S161 VanDerWaalsContact C-N 3.31Å; L159-S161 PolarHBondContact O-N 2.8Å; L159-I162 PolarHBondContact O-N 3.41Å; L159-L163 WeakPolarHBondContact O-CG 3.36Å; L159-L163 PolarHBondContact O-N 3.44Å |
| 160 | F | 85.6 | Confident | 84 | Confident | 34 Ų | 34 | 46 Ų | 46 | 15% | 0.149 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.1 | -35.2 | 175.8 | -73.1 | -58.4 | 0 | 0 | 0 | 112.2 | L28 I114 N156 L163 L164 | L28-F160 HydrophobicContact CD1-CD1 3.79Å; L28-F160 HydrophobicContact CD1-CD2 4.5Å; L28-F160 HydrophobicContact CD1-CE1 3.55Å; L28-F160 HydrophobicContact CD1-CE2 4.28Å; L28-F160 HydrophobicContact CD1-CG 4.26Å; L28-F160 HydrophobicContact CD1-CZ 3.82Å; L28-F160 HydrophobicContact CD2-CE1 3.89Å; L28-F160 HydrophobicContact CD2-CE2 3.87Å; L28-F160 HydrophobicContact CD2-CZ 3.35Å; L28-F160 HydrophobicContact CG-CE1 4.37Å; L28-F160 HydrophobicContact CG-CZ 4.17Å; I114-F160 HydrophobicContact CD1-CB 3.99Å; I114-F160 HydrophobicContact CG1-CB 3.68Å; N156-F160 HydrophobicContact CB-CD2 4.11Å; N156-F160 HydrophobicContact CB-CE2 4.08Å; N156-F160 WeakPolarHBondContact O-CB 3.19Å; N156-F160 WeakPolarHBondContact O-CD2 3.44Å; N156-F160 PolarHBondContact O-N 3.14Å; F160-L163 HydrophobicContact CD1-CD1 4.35Å; F160-L163 PolarHBondContact O-N 2.98Å; F160-L164 VanDerWaalsContact O-CB 3.3Å; F160-L164 WeakPolarHBondContact O-CB 3.31Å; F160-L164 PolarHBondContact O-N 3.24Å |
| 161 | S | 88.1 | Confident | 85 | Confident | 57 Ų | 57 | 42.4 Ų | 42.4 | 40% | 0.399 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 174.2 | -176.8 | 0 | 0 | 0 | 0 | 111.9 | L157 T158 L159 L163 L164 V165 | L157-S161 WeakPolarHBondContact O-CB 3.44Å; L157-S161 PolarHBondContact O-N 3.32Å; T158-S161 PolarHBondContact O-N 3.25Å; L159-S161 VanDerWaalsContact C-N 3.31Å; L159-S161 PolarHBondContact O-N 2.8Å; S161-L163 PolarHBondContact O-N 3.45Å; S161-L164 PolarHBondContact O-N 3.36Å; S161-V165 WeakPolarHBondContact O-CG2 3.46Å; S161-V165 PolarHBondContact O-N 3.04Å |
| 162 | I | 87.9 | Confident | 85.9 | Confident | 75 Ų | 75 | 38.7 Ų | 38.7 | 39% | 0.385 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.1 | -47 | 174.4 | -68.2 | 164.7 | 0 | 0 | 0 | 110.3 | T158 L159 L164 V165 V166 | T158-I162 HydrophobicContact CG2-CD1 3.99Å; T158-I162 VanDerWaalsContact O-CG1 3.3Å; T158-I162 WeakPolarHBondContact O-CG1 2.87Å; T158-I162 PolarHBondContact O-N 3.12Å; L159-I162 PolarHBondContact O-N 3.41Å; I162-L164 VanDerWaalsContact C-N 3.3Å; I162-L164 PolarHBondContact O-N 2.94Å; I162-V165 PolarHBondContact O-N 2.99Å; I162-V166 HydrophobicContact CG2-CG2 4.15Å; I162-V166 WeakPolarHBondContact O-CB 3.29Å; I162-V166 VanDerWaalsContact O-CG2 3.26Å; I162-V166 WeakPolarHBondContact O-CG2 3.43Å; I162-V166 PolarHBondContact O-N 2.93Å |
| 163 | L | 85.6 | Confident | 86.2 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -37.4 | 177.8 | -72.2 | 172.5 | 0 | 0 | 0 | 112.5 | A24 N25 L28 L159 F160 S161 G167 | A24-L163 HydrophobicContact CB-CD2 3.83Å; A24-L163 HydrophobicContact CB-CG 4.03Å; N25-L163 WeakPolarHBondContact ND2-CD2 3.29Å; L28-L163 HydrophobicContact CD1-CD1 3.76Å; L159-L163 WeakPolarHBondContact O-CG 3.36Å; L159-L163 PolarHBondContact O-N 3.44Å; F160-L163 HydrophobicContact CD1-CD1 4.35Å; F160-L163 PolarHBondContact O-N 2.98Å; S161-L163 PolarHBondContact O-N 3.45Å; L163-G167 PolarHBondContact O-N 2.78Å |
| 164 | L | 89.1 | Confident | 86.5 | Confident | 45 Ų | 45 | 39.2 Ų | 39.2 | 24% | 0.236 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.3 | -47.1 | 175.9 | -170.6 | 154.7 | 0 | 0 | 0 | 111.1 | F107 A111 I114 F160 S161 I162 G168 | F107-L164 HydrophobicContact CD2-CD2 4.19Å; F107-L164 HydrophobicContact CD2-CG 3.93Å; F107-L164 WeakPolarHBondContact CD2-O 3.35Å; F107-L164 HydrophobicContact CE2-CD2 3.51Å; F107-L164 HydrophobicContact CE2-CG 3.7Å; F107-L164 HydrophobicContact CZ-CD2 4.1Å; F107-L164 HydrophobicContact CZ-CG 4.29Å; A111-L164 HydrophobicContact CB-CD1 4.01Å; I114-L164 HydrophobicContact CD1-CD1 3.96Å; F160-L164 VanDerWaalsContact O-CB 3.3Å; F160-L164 WeakPolarHBondContact O-CB 3.31Å; F160-L164 PolarHBondContact O-N 3.24Å; S161-L164 PolarHBondContact O-N 3.36Å; I162-L164 VanDerWaalsContact C-N 3.3Å; I162-L164 PolarHBondContact O-N 2.94Å; L164-G168 PolarHBondContact O-N 3.48Å |
| 165 | V | 90.5 | Very high | 86.8 | Confident | 80 Ų | 80 | 39.1 Ų | 39.1 | 49% | 0.485 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.7 | -46.8 | 177.6 | 176.9 | 0 | 0 | 0 | 0 | 111 | S161 I162 G168 I169 | S161-V165 WeakPolarHBondContact O-CG2 3.46Å; S161-V165 PolarHBondContact O-N 3.04Å; I162-V165 PolarHBondContact O-N 2.99Å; V165-G168 PolarHBondContact O-N 2.92Å; V165-I169 HydrophobicContact CG1-CD1 3.96Å; V165-I169 WeakPolarHBondContact O-CG1 3.48Å; V165-I169 PolarHBondContact O-N 2.9Å |
| 166 | V | 87.4 | Confident | 86.8 | Confident | 17 Ų | 17 | 38.6 Ų | 38.6 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -47.6 | 178.9 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | L17 I162 G168 I169 Q170 | L17-V166 HydrophobicContact CB-CG1 4.28Å; L17-V166 HydrophobicContact CG-CG1 4.44Å; L17-V166 WeakPolarHBondContact O-CG1 3.38Å; I162-V166 HydrophobicContact CG2-CG2 4.15Å; I162-V166 WeakPolarHBondContact O-CB 3.29Å; I162-V166 VanDerWaalsContact O-CG2 3.26Å; I162-V166 WeakPolarHBondContact O-CG2 3.43Å; I162-V166 PolarHBondContact O-N 2.93Å; V166-G168 VanDerWaalsContact C-N 3.31Å; V166-G168 PolarHBondContact O-N 3.37Å; V166-I169 PolarHBondContact O-N 3.18Å; V166-Q170 HydrophobicContact CG1-CG 4.33Å; V166-Q170 WeakPolarHBondContact O-CB 3.48Å; V166-Q170 VanDerWaalsContact O-CG 3.22Å; V166-Q170 WeakPolarHBondContact O-CG 3.23Å; V166-Q170 PolarHBondContact O-N 3.35Å |
| 167 | G | 87.4 | Confident | 86.8 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.2 | -38.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L163 Q170 M171 | L163-G167 PolarHBondContact O-N 2.78Å; G167-Q170 PolarHBondContact O-N 3.45Å; G167-M171 WeakPolarHBondContact O-CG 3.36Å; G167-M171 PolarHBondContact O-N 3.04Å |
| 168 | G | 89.4 | Confident | 86.7 | Confident | 17 Ų | 17 | 37.7 Ų | 37.7 | 18% | 0.175 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.1 | -50.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | L164 V165 V166 Q170 M171 V172 | L164-G168 PolarHBondContact O-N 3.48Å; V165-G168 PolarHBondContact O-N 2.92Å; V166-G168 VanDerWaalsContact C-N 3.31Å; V166-G168 PolarHBondContact O-N 3.37Å; G168-Q170 VanDerWaalsContact C-N 3.35Å; G168-Q170 PolarHBondContact O-N 2.97Å; G168-M171 PolarHBondContact O-N 3.02Å; G168-V172 WeakPolarHBondContact O-CG2 3.42Å; G168-V172 PolarHBondContact O-N 3.37Å; G168-V172 VanDerWaalsContact O-N 3.17Å |
| 169 | I | 88.9 | Confident | 86.6 | Confident | 77 Ų | 77 | 37.9 Ų | 37.9 | 40% | 0.395 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64 | -42.5 | 178.1 | -62.2 | 165.1 | 0 | 0 | 0 | 110.5 | L17 V165 V166 M171 V172 L173 | L17-I169 HydrophobicContact CD2-CB 3.75Å; L17-I169 HydrophobicContact CD2-CD1 4.42Å; L17-I169 HydrophobicContact CD2-CG2 3.43Å; L17-I169 VanDerWaalsContact CD2-CG2 3.43Å; V165-I169 HydrophobicContact CG1-CD1 3.96Å; V165-I169 WeakPolarHBondContact O-CG1 3.48Å; V165-I169 PolarHBondContact O-N 2.9Å; V166-I169 PolarHBondContact O-N 3.18Å; I169-M171 PolarHBondContact O-N 2.95Å; I169-V172 PolarHBondContact O-N 3.42Å; I169-L173 HydrophobicContact CG2-CD1 3.79Å; I169-L173 HydrophobicContact CG2-CG 4.15Å; I169-L173 VanDerWaalsContact O-CG 3.31Å; I169-L173 WeakPolarHBondContact O-CG 3.45Å; I169-L173 PolarHBondContact O-N 3.08Å |
| 170 | Q | 86.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60 | -43 | 177.3 | -74.7 | 171.4 | -14.1 | 0 | 0 | 112.2 | L17 M59 A103 V166 G167 G168 V172 L173 C174 | L17-Q170 HydrophobicContact CB-CG 4.41Å; L17-Q170 HydrophobicContact CD2-CG 4.25Å; M59-Q170 HydrophobicContact CE-CB 3.67Å; M59-Q170 HydrophobicContact CE-CG 3.48Å; M59-Q170 VanDerWaalsContact CE-CG 3.48Å; A103-Q170 HydrophobicContact CB-CB 3.86Å; V166-Q170 HydrophobicContact CG1-CG 4.33Å; V166-Q170 WeakPolarHBondContact O-CB 3.48Å; V166-Q170 VanDerWaalsContact O-CG 3.22Å; V166-Q170 WeakPolarHBondContact O-CG 3.23Å; V166-Q170 PolarHBondContact O-N 3.35Å; G167-Q170 PolarHBondContact O-N 3.45Å; G168-Q170 VanDerWaalsContact C-N 3.35Å; G168-Q170 PolarHBondContact O-N 2.97Å; Q170-V172 PolarHBondContact O-N 3.2Å; Q170-L173 PolarHBondContact O-N 2.57Å; Q170-C174 VanDerWaalsContact O-CB 3.31Å; Q170-C174 WeakPolarHBondContact O-CB 3.3Å; Q170-C174 PolarHBondContact O-N 3.07Å; Q170-C174 PolarHBondContact O-SG 3.3Å |
| 171 | M | 88.6 | Confident | 85.6 | Confident | 37 Ų | 37 | 37.2 Ų | 37.2 | 18% | 0.182 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.1 | -46.6 | 173.9 | -78.9 | -170.2 | -62.2 | 0 | 0 | 111.7 | F100 A103 G104 F107 G167 G168 I169 C174 A175 | F100-M171 HydrophobicContact CD2-CB 4.04Å; F100-M171 HydrophobicContact CD2-CG 4.23Å; F100-M171 VanDerWaalsContact CD2-O 3.3Å; F100-M171 WeakPolarHBondContact CD2-O 3.48Å; F100-M171 HydrophobicContact CE2-CB 3.82Å; F100-M171 HydrophobicContact CE2-CG 4.11Å; A103-M171 HydrophobicContact CB-CG 3.86Å; G104-M171 WeakPolarHBondContact CA-SD 3.45Å; F107-M171 HydrophobicContact CB-CE 3.96Å; F107-M171 HydrophobicContact CD1-CE 4.17Å; F107-M171 HydrophobicContact CD2-CE 3.76Å; F107-M171 HydrophobicContact CE2-CE 4.29Å; F107-M171 HydrophobicContact CG-CE 3.69Å; G167-M171 WeakPolarHBondContact O-CG 3.36Å; G167-M171 PolarHBondContact O-N 3.04Å; G168-M171 PolarHBondContact O-N 3.02Å; I169-M171 PolarHBondContact O-N 2.95Å; M171-C174 PolarHBondContact O-N 2.96Å; M171-A175 WeakPolarHBondContact O-CB 3.38Å; M171-A175 PolarHBondContact O-N 2.94Å |
| 172 | V | 89.3 | Confident | 85 | Confident | 89 Ų | 89 | 38.3 Ų | 38.3 | 54% | 0.539 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 179.3 | 175.2 | 0 | 0 | 0 | 0 | 111 | G168 I169 Q170 A175 I176 | G168-V172 WeakPolarHBondContact O-CG2 3.42Å; G168-V172 PolarHBondContact O-N 3.37Å; G168-V172 VanDerWaalsContact O-N 3.17Å; I169-V172 PolarHBondContact O-N 3.42Å; Q170-V172 PolarHBondContact O-N 3.2Å; V172-A175 PolarHBondContact O-N 2.97Å; V172-I176 HydrophobicContact CG1-CD1 4.04Å; V172-I176 WeakPolarHBondContact O-CG1 3.25Å; V172-I176 PolarHBondContact O-N 3.4Å |
| 173 | L | 84.9 | Confident | 84.3 | Confident | 24 Ų | 24 | 39.1 Ų | 39.1 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.9 | -42.8 | 179.4 | -65.8 | 173.1 | 0 | 0 | 0 | 112 | L10 L14 L17 I169 Q170 I176 Q177 | L10-L173 HydrophobicContact CD2-CD2 3.53Å; L14-L173 HydrophobicContact CD1-CB 3.62Å; L14-L173 HydrophobicContact CD1-CD1 3.9Å; L14-L173 HydrophobicContact CD1-CG 4.4Å; L17-L173 HydrophobicContact CD2-CD1 4.48Å; I169-L173 HydrophobicContact CG2-CD1 3.79Å; I169-L173 HydrophobicContact CG2-CG 4.15Å; I169-L173 VanDerWaalsContact O-CG 3.31Å; I169-L173 WeakPolarHBondContact O-CG 3.45Å; I169-L173 PolarHBondContact O-N 3.08Å; Q170-L173 PolarHBondContact O-N 2.57Å; L173-I176 PolarHBondContact O-N 3.47Å; L173-Q177 PolarHBondContact O-N 3.26Å |
| 174 | C | 84.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.2 | -40 | 175.3 | -71.6 | 0 | 0 | 0 | 0 | 111.6 | F100 Q170 M171 Q177 V178 | F100-C174 HydrophobicContact CB-CB 3.93Å; F100-C174 HydrophobicContact CD2-CB 4.36Å; Q170-C174 VanDerWaalsContact O-CB 3.31Å; Q170-C174 WeakPolarHBondContact O-CB 3.3Å; Q170-C174 PolarHBondContact O-N 3.07Å; Q170-C174 PolarHBondContact O-SG 3.3Å; M171-C174 PolarHBondContact O-N 2.96Å; C174-Q177 PolarHBondContact O-N 2.88Å; C174-V178 WeakPolarHBondContact O-CG2 3.28Å; C174-V178 PolarHBondContact O-N 3.19Å |
| 175 | A | 87 | Confident | 82.2 | Confident | 39 Ų | 39 | 39.5 Ų | 39.5 | 32% | 0.322 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F100 M171 V172 Q177 V178 V179 | F100-A175 HydrophobicContact CD2-CB 4.29Å; F100-A175 HydrophobicContact CE2-CB 4.17Å; M171-A175 WeakPolarHBondContact O-CB 3.38Å; M171-A175 PolarHBondContact O-N 2.94Å; V172-A175 PolarHBondContact O-N 2.97Å; A175-Q177 VanDerWaalsContact C-N 3.3Å; A175-Q177 PolarHBondContact O-N 2.77Å; A175-V178 PolarHBondContact O-N 3.31Å; A175-V179 WeakPolarHBondContact O-CG2 3.43Å; A175-V179 PolarHBondContact O-N 2.91Å |
| 176 | I | 83.6 | Confident | 81 | Confident | 70 Ų | 70 | 42.4 Ų | 42.4 | 36% | 0.359 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.6 | -43.3 | 173.7 | -66.2 | 167.4 | 0 | 0 | 0 | 110.3 | L10 V172 L173 V178 V179 N180 | L10-I176 HydrophobicContact CD1-CG2 3.93Å; L10-I176 HydrophobicContact CD2-CG2 4.44Å; V172-I176 HydrophobicContact CG1-CD1 4.04Å; V172-I176 WeakPolarHBondContact O-CG1 3.25Å; V172-I176 PolarHBondContact O-N 3.4Å; L173-I176 PolarHBondContact O-N 3.47Å; I176-V178 VanDerWaalsContact C-N 3.35Å; I176-V178 PolarHBondContact O-N 3.17Å; I176-V179 PolarHBondContact O-N 2.9Å; I176-N180 WeakPolarHBondContact CG2-ND2 3.36Å; I176-N180 WeakPolarHBondContact O-CB 3.2Å; I176-N180 VanDerWaalsContact O-CG 3.26Å; I176-N180 PolarHBondContact O-N 2.99Å; I176-N180 PolarHBondContact O-ND2 3Å |
| 177 | Q | 80.8 | Confident | 79.5 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 2% | 0.023 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.9 | -36.6 | 177.7 | -175.6 | 65.9 | 11 | 0 | 0 | 112.5 | F66 S92 A96 L173 C174 A175 N180 G181 | F66-Q177 HydrophobicContact CE1-CG 3.69Å; F66-Q177 HydrophobicContact CZ-CG 3.76Å; S92-Q177 PolarHBondContact OG-NE2 3.47Å; S92-Q177 VanDerWaalsContact OG-NE2 3.08Å; A96-Q177 HydrophobicContact CB-CB 4.08Å; A96-Q177 HydrophobicContact CB-CG 3.8Å; L173-Q177 PolarHBondContact O-N 3.26Å; C174-Q177 PolarHBondContact O-N 2.88Å; A175-Q177 VanDerWaalsContact C-N 3.3Å; A175-Q177 PolarHBondContact O-N 2.77Å; Q177-N180 PolarHBondContact O-N 3.15Å; Q177-G181 WeakPolarHBondContact O-CA 3.38Å; Q177-G181 PolarHBondContact O-N 3.18Å |
| 178 | V | 84.1 | Confident | 77.8 | Confident | 30 Ų | 30 | 47.2 Ų | 47.2 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 175 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | T93 A96 V97 C174 A175 I176 G181 L182 | T93-V178 HydrophobicContact CG2-CG1 4.45Å; A96-V178 HydrophobicContact CB-CG2 3.84Å; V97-V178 HydrophobicContact CG2-CG1 4.36Å; V97-V178 HydrophobicContact CG2-CG2 3.65Å; C174-V178 WeakPolarHBondContact O-CG2 3.28Å; C174-V178 PolarHBondContact O-N 3.19Å; A175-V178 PolarHBondContact O-N 3.31Å; I176-V178 VanDerWaalsContact C-N 3.35Å; I176-V178 PolarHBondContact O-N 3.17Å; V178-G181 PolarHBondContact O-N 2.93Å; V178-L182 HydrophobicContact CG1-CD1 3.8Å; V178-L182 HydrophobicContact CG1-CG 4.41Å; V178-L182 WeakPolarHBondContact O-CB 3.31Å; V178-L182 VanDerWaalsContact O-CG 3.23Å; V178-L182 WeakPolarHBondContact O-CG 3.24Å; V178-L182 PolarHBondContact O-N 3.04Å |
| 179 | V | 83.3 | Confident | 75.5 | Confident | 83 Ų | 83 | 52.5 Ų | 52.5 | 50% | 0.503 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.1 | -47 | 176.7 | 176.1 | 0 | 0 | 0 | 0 | 111 | A175 I176 G181 L182 L183 | A175-V179 WeakPolarHBondContact O-CG2 3.43Å; A175-V179 PolarHBondContact O-N 2.91Å; I176-V179 PolarHBondContact O-N 2.9Å; V179-G181 VanDerWaalsContact C-N 3.33Å; V179-G181 PolarHBondContact O-N 3.32Å; V179-L182 PolarHBondContact O-N 3.25Å; V179-L183 HydrophobicContact CG1-CD1 4Å; V179-L183 HydrophobicContact CG1-CG 4.47Å; V179-L183 WeakPolarHBondContact O-CB 3.42Å; V179-L183 VanDerWaalsContact O-CG 3.31Å; V179-L183 WeakPolarHBondContact O-CG 3.27Å; V179-L183 PolarHBondContact O-N 3.39Å |
| 180 | N | 76.4 | Confident | 73.1 | Confident | 31 Ų | 31 | 54 Ų | 54 | 17% | 0.166 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 178.4 | -73.8 | -23.7 | 0 | 0 | 0 | 112.6 | T3 I176 Q177 G184 | T3-N180 HydrophobicContact CG2-CB 4.23Å; I176-N180 WeakPolarHBondContact CG2-ND2 3.36Å; I176-N180 WeakPolarHBondContact O-CB 3.2Å; I176-N180 VanDerWaalsContact O-CG 3.26Å; I176-N180 PolarHBondContact O-N 2.99Å; I176-N180 PolarHBondContact O-ND2 3Å; Q177-N180 PolarHBondContact O-N 3.15Å; N180-G184 PolarHBondContact O-N 3.41Å |
| 181 | G | 72.5 | Confident | 70.7 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.8 | -47.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T93 Q177 V178 V179 G184 T185 | T93-G181 VanDerWaalsContact OG1-CA 3.3Å; T93-G181 WeakPolarHBondContact OG1-CA 3.3Å; Q177-G181 WeakPolarHBondContact O-CA 3.38Å; Q177-G181 PolarHBondContact O-N 3.18Å; V178-G181 PolarHBondContact O-N 2.93Å; V179-G181 VanDerWaalsContact C-N 3.33Å; V179-G181 PolarHBondContact O-N 3.32Å; G181-G184 CarbonylContact O-C 3.48Å; G181-G184 PolarHBondContact O-N 2.92Å; G181-T185 WeakPolarHBondContact O-CG2 3.4Å; G181-T185 PolarHBondContact O-N 3.2Å; G181-T185 PolarHBondContact O-OG1 2.91Å |
| 182 | L | 76.2 | Confident | 68 | Low | 81 Ų | 81 | 66.8 Ų | 66.8 | 42% | 0.424 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 176.2 | -72.3 | 168 | 0 | 0 | 0 | 112.6 | T93 V178 V179 G184 T185 L186 | T93-L182 HydrophobicContact CG2-CG 4.4Å; V178-L182 HydrophobicContact CG1-CD1 3.8Å; V178-L182 HydrophobicContact CG1-CG 4.41Å; V178-L182 WeakPolarHBondContact O-CB 3.31Å; V178-L182 VanDerWaalsContact O-CG 3.23Å; V178-L182 WeakPolarHBondContact O-CG 3.24Å; V178-L182 PolarHBondContact O-N 3.04Å; V179-L182 PolarHBondContact O-N 3.25Å; L182-G184 VanDerWaalsContact C-N 3.3Å; L182-G184 PolarHBondContact O-N 3.3Å; L182-T185 WeakPolarHBondContact CA-OG1 3.37Å; L182-T185 PolarHBondContact O-N 3.43Å; L182-T185 PolarHBondContact O-OG1 2.78Å; L182-L186 VanDerWaalsContact O-CB 3.3Å; L182-L186 WeakPolarHBondContact O-CB 3.12Å; L182-L186 WeakPolarHBondContact O-CG 3.44Å; L182-L186 PolarHBondContact O-N 3.46Å |
| 183 | L | 73.1 | Confident | 65.2 | Low | 92 Ų | 92 | 67.5 Ų | 67.5 | 48% | 0.482 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.8 | -36.5 | 173.4 | -69.5 | 173.3 | 0 | 0 | 0 | 111.4 | V179 C187 | V179-L183 HydrophobicContact CG1-CD1 4Å; V179-L183 HydrophobicContact CG1-CG 4.47Å; V179-L183 WeakPolarHBondContact O-CB 3.42Å; V179-L183 VanDerWaalsContact O-CG 3.31Å; V179-L183 WeakPolarHBondContact O-CG 3.27Å; V179-L183 PolarHBondContact O-N 3.39Å; L183-C187 WeakPolarHBondContact O-CA 3.37Å; L183-C187 VanDerWaalsContact O-CB 3.24Å; L183-C187 WeakPolarHBondContact O-CB 3.44Å; L183-C187 PolarHBondContact O-N 3.31Å |
| 184 | G | 65.1 | Low | 62.6 | Low | 15 Ų | 15 | 69.7 Ų | 69.7 | 16% | 0.155 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -67.6 | -32.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | N180 G181 L182 G188 | N180-G184 PolarHBondContact O-N 3.41Å; G181-G184 CarbonylContact O-C 3.48Å; G181-G184 PolarHBondContact O-N 2.92Å; L182-G184 VanDerWaalsContact C-N 3.3Å; L182-G184 PolarHBondContact O-N 3.3Å; G184-G188 WeakPolarHBondContact O-CA 3.34Å; G184-G188 PolarHBondContact O-N 2.99Å |
| 185 | T | 66.6 | Low | 60.1 | Low | 40 Ų | 40 | 75.9 Ų | 75.9 | 25% | 0.245 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -83.9 | -39.4 | 177.7 | 55.4 | 0 | 0 | 0 | 0 | 112.6 | M89 F90 G181 L182 | M89-T185 HydrophobicContact CB-CG2 4.42Å; F90-T185 HydrophobicContact CB-CG2 4.24Å; G181-T185 WeakPolarHBondContact O-CG2 3.4Å; G181-T185 PolarHBondContact O-N 3.2Å; G181-T185 PolarHBondContact O-OG1 2.91Å; L182-T185 WeakPolarHBondContact CA-OG1 3.37Å; L182-T185 PolarHBondContact O-N 3.43Å; L182-T185 PolarHBondContact O-OG1 2.78Å |
| 186 | L | 64.8 | Low | 57.6 | Low | 142 Ų | 142 | 80.4 Ų | 80.4 | 74% | 0.743 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -83.8 | -41 | -178.2 | -66.7 | 169.9 | 0 | 0 | 0 | 113.6 | L182 | L182-L186 VanDerWaalsContact O-CB 3.3Å; L182-L186 WeakPolarHBondContact O-CB 3.12Å; L182-L186 WeakPolarHBondContact O-CG 3.44Å; L182-L186 PolarHBondContact O-N 3.46Å |
| 187 | C | 56.4 | Low | 55.1 | Low | 81 Ų | 81 | 80.8 Ų | 80.8 | 55% | 0.547 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -95.3 | 5.9 | 177.5 | -63.8 | 0 | 0 | 0 | 0 | 113.2 | L183 D189 C190 | L183-C187 WeakPolarHBondContact O-CA 3.37Å; L183-C187 VanDerWaalsContact O-CB 3.24Å; L183-C187 WeakPolarHBondContact O-CB 3.44Å; L183-C187 PolarHBondContact O-N 3.31Å; C187-D189 PolarHBondContact O-N 2.83Å; C187-C190 PolarHBondContact O-N 3.24Å |
| 188 | G | 51.6 | Low | 52.6 | Low | 38 Ų | 38 | 83.6 Ų | 83.6 | 39% | 0.392 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.5 | 13.5 | -180 | 0 | 0 | 0 | 0 | 0 | 115.8 | R86 G184 | R86-G188 PolarHBondContact NH2-O 2.64Å; G184-G188 WeakPolarHBondContact O-CA 3.34Å; G184-G188 PolarHBondContact O-N 2.99Å |
| 189 | D | 40.5 | Very low | 50.1 | Low | 128 Ų | 128 | 90.1 Ų | 90.1 | 68% | 0.684 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | 5.1 | 169 | -104.3 | -35.1 | 0 | 0 | 0 | 114.6 | R86 C187 | R86-D189 IonicContact CZ-OD1 3.99Å; R86-D189 IonicContact CZ-OD2 3.47Å; R86-D189 IonicContact NH1-OD2 3.27Å; R86-D189 PolarHBondContact NH1-OD2 3.27Å; R86-D189 IonicContact NH2-OD1 2.83Å; R86-D189 PolarHBondContact NH2-OD1 3.36Å; R86-D189 IonicContact NH2-OD2 2.78Å; R86-D189 PolarHBondContact NH2-OD2 2.96Å; C187-D189 PolarHBondContact O-N 2.83Å |
| 190 | C | 39.3 | Very low | 47.8 | Very low | 109 Ų | 109 | 89.4 Ų | 89.4 | 74% | 0.736 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -107.9 | 111.2 | 177.7 | -68.8 | 0 | 0 | 0 | 0 | 112.5 | C187 | C187-C190 PolarHBondContact O-N 3.24Š|
| 191 | Q | 35.2 | Very low | 45.8 | Very low | 168 Ų | 168 | 93.8 Ų | 93.8 | 79% | 0.785 | 63% | 0.628 | S | S | * | * | trans | 72.3 | 90.9 | 167 | -76.3 | 172.5 | -90.7 | 0 | 0 | 119.1 | ||||
| 192 | C | 33.4 | Very low | 44 | Very low | 136 Ų | 136 | 104 Ų | 104 | 92% | 0.919 | 69% | 0.69 | S | S | * | * | trans | -104.2 | 60.9 | 136.1 | -88.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 193 | C | 30.3 | Very low | 42.4 | Very low | 105 Ų | 105 | 105.2 Ų | 105.2 | 71% | 0.709 | 70% | 0.703 | S | S | * | * | trans | -125.8 | 115.8 | 151 | -96.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 194 | G | 30.6 | Very low | 40.8 | Very low | 70 Ų | 70 | 105.9 Ų | 105.9 | 72% | 0.722 | 72% | 0.715 | S | S | * | * | trans | 94.1 | 104.2 | 150.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 195 | C | 32.1 | Very low | 39.4 | Very low | 129 Ų | 129 | 110.9 Ų | 110.9 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | trans | 66.7 | 108.1 | 133 | -60.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 196 | C | 33.3 | Very low | 37.9 | Very low | 134 Ų | 134 | 115.1 Ų | 115.1 | 91% | 0.905 | 78% | 0.776 | S | S | * | * | -126.7 | 109.2 | 121.6 | -73.9 | 0 | 0 | 0 | 0 | 108 | |||||
| 197 | G | 31.5 | Very low | 36.2 | Very low | 78 Ų | 78 | 113.4 Ų | 113.4 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -84.5 | -178 | 159 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 198 | G | 29.4 | Very low | 34.8 | Very low | 65 Ų | 65 | 115.6 Ų | 115.6 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | cis | -115.5 | 177.2 | -8.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 199 | D | 30.7 | Very low | 33.6 | Very low | 167 Ų | 167 | 121.1 Ų | 121.1 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | -139.8 | 132.1 | 66.2 | -67.5 | -42.3 | 0 | 0 | 0 | 112.4 | |||||
| 200 | G | 34.4 | Very low | 33.1 | Very low | 67 Ų | 67 | 120.6 Ų | 120.6 | 69% | 0.691 | 83% | 0.832 | S | S | * | * | trans | -85 | 169.3 | 136.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 201 | P | 36 | Very low | 32.6 | Very low | 123 Ų | 123 | 121.6 Ų | 121.6 | 80% | 0.799 | 84% | 0.84 | S | S | * | * | cis | -123.2 | 156.5 | 10 | 38.5 | -23.7 | 0 | 0 | 0 | 113.7 | ||||
| 202 | V | 34.2 | Very low | 32.4 | Very low | 217 Ų | 217 | 117.4 Ų | 117.4 | 100% | 1.315 | 85% | 0.845 | S | S | * | * | -177.4 | 0 | 106.9 | -82.2 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 202 of 202 residues in 1397.7 ms
(Link to these results)