| 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 | 44.7 | Very low | 71 | Confident | 187 Ų | 187 | 45.6 Ų | 45.6 | 92% | 0.921 | 24% | 0.24 | S | C | * | . | 0 | -44.6 | 0 | -159.4 | 170.3 | 74.8 | 0 | 0 | 113 | L3 | M1-L3 PolarHBondContact O-N 3.06Š| |||
| 2 | V | 50.6 | Low | 73 | Confident | 95 Ų | 95 | 46.7 Ų | 46.7 | 58% | 0.576 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.2 | -41.8 | -173.1 | -173.3 | 0 | 0 | 0 | 0 | 114.1 | K4 V5 L6 | V2-K4 PolarHBondContact O-N 3.09Å; V2-V5 PolarHBondContact O-N 2.63Å; V2-L6 HydrophobicContact CG1-CD1 4.47Å |
| 3 | L | 51.4 | Low | 74.5 | Confident | 81 Ų | 81 | 47.7 Ų | 47.7 | 42% | 0.424 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -56.9 | -44.4 | -173.8 | -52 | 107.2 | 0 | 0 | 0 | 114.3 | M1 V5 W54 D108 | M1-L3 PolarHBondContact O-N 3.06Å; L3-V5 VanDerWaalsContact C-N 3.29Å; L3-V5 PolarHBondContact O-N 3.07Å; L3-W54 HydrophobicContact CB-CE3 4.25Å; L3-W54 HydrophobicContact CB-CZ3 4Å; L3-W54 HydrophobicContact CD2-CE3 4.16Å; L3-W54 HydrophobicContact CD2-CZ3 3.68Å; L3-W54 HydrophobicContact CG-CZ3 4.43Å; L3-D108 WeakPolarHBondContact CA-OD1 3.43Å; L3-D108 WeakPolarHBondContact CB-OD1 3.48Å; L3-D108 VanDerWaalsContact CD2-CG 3.4Å; L3-D108 WeakPolarHBondContact CD2-OD1 3.44Å; L3-D108 WeakPolarHBondContact CD2-OD2 3.34Å; L3-D108 VanDerWaalsContact CG-CG 3.43Å; L3-D108 WeakPolarHBondContact CG-OD1 3.41Å; L3-D108 WeakPolarHBondContact CG-OD2 3.3Å |
| 4 | K | 55.1 | Low | 76 | Confident | 16 Ų | 16 | 44.4 Ų | 44.4 | 7% | 0.07 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.6 | -35.8 | -177.4 | -67.4 | -165.3 | 173.2 | -148.5 | 0 | 113.6 | V2 L6 T8 L31 S51 H52 D53 | V2-K4 PolarHBondContact O-N 3.09Å; K4-L6 VanDerWaalsContact C-N 3.26Å; K4-L6 PolarHBondContact O-N 3Å; K4-T8 WeakPolarHBondContact O-CG2 3.24Å; K4-T8 PolarHBondContact O-N 3.09Å; K4-T8 PolarHBondContact O-OG1 3.13Å; K4-L31 HydrophobicContact CB-CD1 4.1Å; K4-L31 HydrophobicContact CB-CD2 3.92Å; K4-L31 HydrophobicContact CD-CD1 4.27Å; K4-L31 HydrophobicContact CD-CD2 3.95Å; K4-S51 WeakPolarHBondContact CE-O 3.46Å; K4-S51 PolarHBondContact NZ-O 3.28Å; K4-H52 WeakPolarHBondContact CE-O 3.44Å; K4-H52 VanDerWaalsContact NZ-CA 3.33Å; K4-D53 WeakPolarHBondContact CE-O 3.46Å; K4-D53 VanDerWaalsContact NZ-N 3.15Å; K4-D53 PolarHBondContact NZ-O 3.14Å |
| 5 | V | 61.5 | Low | 77.4 | Confident | 52 Ų | 52 | 41.5 Ų | 41.5 | 32% | 0.315 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -72.1 | -28.2 | -168.5 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | V2 L3 T8 K9 | V2-V5 PolarHBondContact O-N 2.63Å; L3-V5 VanDerWaalsContact C-N 3.29Å; L3-V5 PolarHBondContact O-N 3.07Å; V5-T8 VanDerWaalsContact CA-OG1 3.31Å; V5-T8 WeakPolarHBondContact CA-OG1 3.29Å; V5-T8 PolarHBondContact O-OG1 3.17Å; V5-T8 VanDerWaalsContact O-OG1 3.06Å; V5-K9 HydrophobicContact CG1-CD 3.98Å; V5-K9 HydrophobicContact CG1-CG 4.2Å; V5-K9 VanDerWaalsContact O-CB 3.31Å; V5-K9 WeakPolarHBondContact O-CB 3.34Å; V5-K9 WeakPolarHBondContact O-CG 3.29Å; V5-K9 PolarHBondContact O-N 3.42Å |
| 6 | L | 76.9 | Confident | 78.5 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -76.8 | -48.6 | -172.6 | -58.2 | 168.2 | 0 | 0 | 0 | 112.5 | V2 K4 T8 K9 T10 D108 P132 H133 | V2-L6 HydrophobicContact CG1-CD1 4.47Å; K4-L6 VanDerWaalsContact C-N 3.26Å; K4-L6 PolarHBondContact O-N 3Å; L6-T8 VanDerWaalsContact C-N 3.31Å; L6-T8 PolarHBondContact O-N 2.99Å; L6-K9 PolarHBondContact O-N 2.88Å; L6-T10 PolarHBondContact O-N 2.73Å; L6-T10 VanDerWaalsContact O-N 3.1Å; L6-T10 PolarHBondContact O-OG1 2.74Å; L6-D108 HydrophobicContact CD1-CB 4Å; L6-P132 HydrophobicContact CB-CG 4.08Å; L6-P132 HydrophobicContact CD2-CB 4.42Å; L6-P132 HydrophobicContact CD2-CG 4.3Å; L6-P132 WeakPolarHBondContact O-CB 3.44Å; L6-H133 VanDerWaalsContact CD1-CE1 3.41Å; L6-H133 WeakPolarHBondContact CD1-CE1 3.49Å; L6-H133 WeakPolarHBondContact CD1-NE2 3.22Å; L6-H133 HydrophobicContact CD2-CB 4.21Å; L6-H133 WeakPolarHBondContact CD2-CD2 3.26Å; L6-H133 VanDerWaalsContact CD2-CG 3.47Å |
| 7 | M | 81.6 | Confident | 79.5 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -41.2 | 174.7 | -75.6 | -58.6 | 161.5 | 0 | 0 | 111.4 | K9 T10 L11 M102 S111 | M7-K9 PolarHBondContact O-N 3.49Å; M7-T10 PolarHBondContact O-N 3.32Å; M7-L11 WeakPolarHBondContact O-CB 3.09Å; M7-L11 PolarHBondContact O-N 3.01Å; M7-M102 HydrophobicContact SD-CG 4.09Å; M7-M102 HydrophobicContact SD-SD 3.64Å; M7-M102 VanDerWaalsContact SD-SD 3.64Å; M7-S111 WeakPolarHBondContact CE-OG 3.45Å; M7-S111 PolarHBondContact SD-OG 3.44Å |
| 8 | T | 83.9 | Confident | 80.5 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.8 | -35.6 | 176.5 | 50.8 | 0 | 0 | 0 | 0 | 112.7 | K4 V5 L6 L11 Q12 L31 V34 I55 | K4-T8 WeakPolarHBondContact O-CG2 3.24Å; K4-T8 PolarHBondContact O-N 3.09Å; K4-T8 PolarHBondContact O-OG1 3.13Å; V5-T8 VanDerWaalsContact CA-OG1 3.31Å; V5-T8 WeakPolarHBondContact CA-OG1 3.29Å; V5-T8 PolarHBondContact O-OG1 3.17Å; V5-T8 VanDerWaalsContact O-OG1 3.06Å; L6-T8 VanDerWaalsContact C-N 3.31Å; L6-T8 PolarHBondContact O-N 2.99Å; T8-L11 WeakPolarHBondContact O-CB 3.4Å; T8-L11 PolarHBondContact O-N 3.34Å; T8-Q12 WeakPolarHBondContact O-CB 3.39Å; T8-Q12 WeakPolarHBondContact O-CG 3.27Å; T8-Q12 PolarHBondContact O-N 3.25Å; T8-L31 HydrophobicContact CG2-CD1 3.58Å; T8-V34 HydrophobicContact CG2-CG1 4.35Å; T8-I55 HydrophobicContact CG2-CD1 4.11Å |
| 9 | K | 89.2 | Confident | 81.2 | Confident | 54 Ų | 54 | 42.1 Ų | 42.1 | 24% | 0.235 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -40 | 171.9 | -79.8 | 176.5 | 177.2 | -170.8 | 0 | 113.3 | V5 L6 M7 Q12 T13 P132 Y134 | V5-K9 HydrophobicContact CG1-CD 3.98Å; V5-K9 HydrophobicContact CG1-CG 4.2Å; V5-K9 VanDerWaalsContact O-CB 3.31Å; V5-K9 WeakPolarHBondContact O-CB 3.34Å; V5-K9 WeakPolarHBondContact O-CG 3.29Å; V5-K9 PolarHBondContact O-N 3.42Å; L6-K9 PolarHBondContact O-N 2.88Å; M7-K9 PolarHBondContact O-N 3.49Å; K9-Q12 PolarHBondContact O-N 3.25Å; K9-T13 PolarHBondContact O-N 2.91Å; K9-T13 PolarHBondContact O-OG1 3.07Å; K9-P132 HydrophobicContact CB-CB 3.76Å; K9-P132 HydrophobicContact CD-CB 4.33Å; K9-P132 WeakPolarHBondContact CD-O 3.4Å; K9-P132 PolarHBondContact NZ-O 3.33Å; K9-Y134 PolarHBondContact NZ-O 2.75Å |
| 10 | T | 91.9 | Very high | 81.9 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66 | -40.8 | 174 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | L6 M7 Q12 T13 I14 M102 | L6-T10 PolarHBondContact O-N 2.73Å; L6-T10 VanDerWaalsContact O-N 3.1Å; L6-T10 PolarHBondContact O-OG1 2.74Å; M7-T10 PolarHBondContact O-N 3.32Å; T10-Q12 PolarHBondContact O-N 3.43Å; T10-T13 WeakPolarHBondContact O-CB 2.92Å; T10-T13 PolarHBondContact O-N 3.26Å; T10-I14 PolarHBondContact O-N 3.37Å; T10-M102 HydrophobicContact CG2-CB 3.98Å; T10-M102 HydrophobicContact CG2-CE 3.94Å; T10-M102 HydrophobicContact CG2-CG 3.84Å |
| 11 | L | 94.6 | Very high | 82.5 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.5 | -46.2 | 171.8 | 172.5 | 62.4 | 0 | 0 | 0 | 111.5 | M7 T8 T13 I14 L15 V34 C60 V63 V64 M102 | M7-L11 WeakPolarHBondContact O-CB 3.09Å; M7-L11 PolarHBondContact O-N 3.01Å; T8-L11 WeakPolarHBondContact O-CB 3.4Å; T8-L11 PolarHBondContact O-N 3.34Å; L11-T13 VanDerWaalsContact C-N 3.25Å; L11-T13 PolarHBondContact O-N 3.43Å; L11-I14 WeakPolarHBondContact O-CB 3.36Å; L11-I14 PolarHBondContact O-N 2.93Å; L11-I14 VanDerWaalsContact O-N 3.12Å; L11-L15 HydrophobicContact CD1-CD1 3.85Å; L11-L15 HydrophobicContact CD1-CG 3.98Å; L11-L15 HydrophobicContact CG-CD1 3.84Å; L11-L15 HydrophobicContact CG-CG 4.36Å; L11-L15 WeakPolarHBondContact O-CB 3.35Å; L11-L15 WeakPolarHBondContact O-CG 3.47Å; L11-L15 PolarHBondContact O-N 3.23Å; L11-V34 HydrophobicContact CD2-CG1 4.08Å; L11-V34 HydrophobicContact CD2-CG2 3.82Å; L11-C60 HydrophobicContact CB-CB 4.47Å; L11-C60 HydrophobicContact CD1-CB 4.24Å; L11-V63 HydrophobicContact CD1-CB 4.48Å; L11-V63 HydrophobicContact CD1-CG1 4.45Å; L11-V63 HydrophobicContact CD2-CB 4.13Å; L11-V63 HydrophobicContact CD2-CG1 3.92Å; L11-V64 HydrophobicContact CD1-CG2 3.52Å; L11-M102 HydrophobicContact CB-CE 3.9Å |
| 12 | Q | 94.1 | Very high | 84.7 | Confident | 58 Ų | 58 | 44.1 Ų | 44.1 | 27% | 0.271 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.3 | -34.8 | 176.8 | -73 | 175.6 | -18.2 | 0 | 0 | 112 | T8 K9 T10 S16 V28 P29 | T8-Q12 WeakPolarHBondContact O-CB 3.39Å; T8-Q12 WeakPolarHBondContact O-CG 3.27Å; T8-Q12 PolarHBondContact O-N 3.25Å; K9-Q12 PolarHBondContact O-N 3.25Å; T10-Q12 PolarHBondContact O-N 3.43Å; Q12-S16 VanDerWaalsContact O-CB 3.22Å; Q12-S16 WeakPolarHBondContact O-CB 3.34Å; Q12-S16 PolarHBondContact O-N 2.86Å; Q12-S16 PolarHBondContact O-OG 3.42Å; Q12-V28 HydrophobicContact CB-CG1 3.6Å; Q12-V28 HydrophobicContact CG-CG1 3.52Å; Q12-P29 PolarHBondContact NE2-O 3.32Å |
| 13 | T | 93.2 | Very high | 86.5 | Confident | 60 Ų | 60 | 44.4 Ų | 44.4 | 37% | 0.368 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.5 | -45.1 | 173 | -58 | 0 | 0 | 0 | 0 | 111.4 | K9 T10 L11 S16 W17 | K9-T13 PolarHBondContact O-N 2.91Å; K9-T13 PolarHBondContact O-OG1 3.07Å; T10-T13 WeakPolarHBondContact O-CB 2.92Å; T10-T13 PolarHBondContact O-N 3.26Å; L11-T13 VanDerWaalsContact C-N 3.25Å; L11-T13 PolarHBondContact O-N 3.43Å; T13-S16 PolarHBondContact O-N 2.92Å; T13-W17 PolarHBondContact O-N 3.41Å |
| 14 | I | 95.8 | Very high | 88.1 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.3 | -48 | 175.9 | -69.2 | 168 | 0 | 0 | 0 | 110.9 | T10 L11 S16 W17 Y18 V64 P100 M102 P171 | T10-I14 PolarHBondContact O-N 3.37Å; L11-I14 WeakPolarHBondContact O-CB 3.36Å; L11-I14 PolarHBondContact O-N 2.93Å; L11-I14 VanDerWaalsContact O-N 3.12Å; I14-S16 VanDerWaalsContact C-N 3.32Å; I14-S16 PolarHBondContact O-N 3.07Å; I14-W17 WeakPolarHBondContact O-CB 3.13Å; I14-W17 PolarHBondContact O-N 3.19Å; I14-W17 VanDerWaalsContact O-N 3.13Å; I14-Y18 HydrophobicContact CG2-CD2 4.1Å; I14-Y18 HydrophobicContact CG2-CE2 4.11Å; I14-Y18 WeakPolarHBondContact O-CD2 3.36Å; I14-Y18 PolarHBondContact O-N 2.97Å; I14-V64 HydrophobicContact CG2-CG2 3.87Å; I14-P100 HydrophobicContact CG1-CB 3.99Å; I14-M102 HydrophobicContact CD1-CB 3.92Å; I14-M102 HydrophobicContact CD1-CE 4.25Å; I14-P171 HydrophobicContact CD1-CG 4.45Å; I14-P171 HydrophobicContact CG2-CG 3.71Å |
| 15 | L | 97 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.4 | -36.2 | 179.5 | -69.8 | 174.9 | 0 | 0 | 0 | 112 | L11 W17 Y18 K19 F26 V28 P29 V64 L67 T68 | L11-L15 HydrophobicContact CD1-CD1 3.85Å; L11-L15 HydrophobicContact CD1-CG 3.98Å; L11-L15 HydrophobicContact CG-CD1 3.84Å; L11-L15 HydrophobicContact CG-CG 4.36Å; L11-L15 WeakPolarHBondContact O-CB 3.35Å; L11-L15 WeakPolarHBondContact O-CG 3.47Å; L11-L15 PolarHBondContact O-N 3.23Å; L15-W17 VanDerWaalsContact C-N 3.32Å; L15-Y18 PolarHBondContact O-N 3.32Å; L15-K19 WeakPolarHBondContact O-CB 3.41Å; L15-K19 PolarHBondContact O-N 3.07Å; L15-F26 HydrophobicContact CB-CE2 3.9Å; L15-F26 HydrophobicContact CB-CZ 4.22Å; L15-F26 HydrophobicContact CD2-CE2 4.15Å; L15-F26 HydrophobicContact CD2-CZ 3.88Å; L15-V28 HydrophobicContact CB-CG2 4.48Å; L15-P29 VanDerWaalsContact CD1-CD 3.43Å; L15-P29 HydrophobicContact CD1-CG 3.64Å; L15-V64 HydrophobicContact CD2-CG2 4.26Å; L15-L67 HydrophobicContact CD1-CD1 3.81Å; L15-L67 HydrophobicContact CD2-CB 4.29Å; L15-L67 HydrophobicContact CD2-CD1 4.09Å; L15-T68 HydrophobicContact CD2-CG2 4.01Å |
| 16 | S | 95 | Very high | 91.1 | Very high | 45 Ų | 45 | 45.8 Ų | 45.8 | 32% | 0.315 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 172 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | Q12 T13 I14 K19 L20 | Q12-S16 VanDerWaalsContact O-CB 3.22Å; Q12-S16 WeakPolarHBondContact O-CB 3.34Å; Q12-S16 PolarHBondContact O-N 2.86Å; Q12-S16 PolarHBondContact O-OG 3.42Å; T13-S16 PolarHBondContact O-N 2.92Å; I14-S16 VanDerWaalsContact C-N 3.32Å; I14-S16 PolarHBondContact O-N 3.07Å; S16-K19 PolarHBondContact O-N 2.96Å; S16-L20 WeakPolarHBondContact O-CB 3.39Å; S16-L20 VanDerWaalsContact O-CG 3.28Å; S16-L20 WeakPolarHBondContact O-CG 3.31Å; S16-L20 PolarHBondContact O-N 3.04Å |
| 17 | W | 95.7 | Very high | 91.9 | Very high | 53 Ų | 53 | 51.8 Ų | 51.8 | 20% | 0.201 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -49.3 | 173.4 | -179.3 | 97.4 | 0 | 0 | 0 | 110.9 | T13 I14 L15 K19 L20 T21 K22 Q97 G98 P100 | T13-W17 PolarHBondContact O-N 3.41Å; I14-W17 WeakPolarHBondContact O-CB 3.13Å; I14-W17 PolarHBondContact O-N 3.19Å; I14-W17 VanDerWaalsContact O-N 3.13Å; L15-W17 VanDerWaalsContact C-N 3.32Å; W17-K19 VanDerWaalsContact C-N 3.34Å; W17-K19 PolarHBondContact O-N 3.38Å; W17-L20 PolarHBondContact O-N 2.98Å; W17-T21 HydrophobicContact CD2-CG2 3.99Å; W17-T21 HydrophobicContact CG-CG2 4.09Å; W17-T21 WeakPolarHBondContact CH2-OG1 3.2Å; W17-T21 HydrophobicContact CZ2-CG2 4.16Å; W17-T21 WeakPolarHBondContact CZ2-OG1 3.44Å; W17-T21 WeakPolarHBondContact CZ3-OG1 3.3Å; W17-T21 WeakPolarHBondContact O-CB 3.14Å; W17-T21 WeakPolarHBondContact O-CG2 3.31Å; W17-T21 PolarHBondContact O-N 3.06Å; W17-T21 PolarHBondContact O-OG1 2.71Å; W17-K22 HydrophobicContact CZ3-CG 4.21Å; W17-Q97 WeakPolarHBondContact CH2-O 3.37Å; W17-Q97 VanDerWaalsContact CZ2-O 3.3Å; W17-Q97 WeakPolarHBondContact CZ2-O 3.31Å; W17-G98 VanDerWaalsContact CZ2-C 3.46Å; W17-G98 PolarHBondContact NE1-O 2.81Å; W17-P100 HydrophobicContact CB-CG 4.08Å; W17-P100 VanDerWaalsContact CG-CD 3.43Å; W17-P100 HydrophobicContact CG-CG 4.16Å |
| 18 | Y | 96.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60 | -42.4 | 177 | -88.5 | -85.1 | 0 | 0 | 0 | 112.5 | I14 L15 L20 K22 S23 V64 T68 H70 P171 L172 | I14-Y18 HydrophobicContact CG2-CD2 4.1Å; I14-Y18 HydrophobicContact CG2-CE2 4.11Å; I14-Y18 WeakPolarHBondContact O-CD2 3.36Å; I14-Y18 PolarHBondContact O-N 2.97Å; L15-Y18 PolarHBondContact O-N 3.32Å; Y18-L20 VanDerWaalsContact C-N 3.31Å; Y18-L20 PolarHBondContact O-N 2.88Å; Y18-K22 HydrophobicContact CD1-CB 4.27Å; Y18-K22 HydrophobicContact CD1-CG 3.85Å; Y18-K22 HydrophobicContact CE1-CG 4.32Å; Y18-K22 CarbonylContact O-C 3.56Å; Y18-K22 WeakPolarHBondContact O-CA 3.48Å; Y18-K22 WeakPolarHBondContact O-CB 3.47Å; Y18-K22 PolarHBondContact O-N 3.07Å; Y18-S23 PolarHBondContact O-N 3.4Å; Y18-V64 HydrophobicContact CE2-CG1 4.08Å; Y18-T68 HydrophobicContact CD1-CG2 3.76Å; Y18-T68 HydrophobicContact CD2-CG2 3.82Å; Y18-T68 HydrophobicContact CE1-CG2 4.23Å; Y18-T68 HydrophobicContact CE2-CG2 4.27Å; Y18-T68 HydrophobicContact CG-CG2 3.55Å; Y18-H70 HydrophobicContact CE1-CB 4.19Å; Y18-H70 AromaticContact CE1-CD2 3.93Å; Y18-H70 AromaticContact CE1-CG 3.72Å; Y18-H70 AromaticContact CE1-ND1 3.77Å; Y18-P171 HydrophobicContact CE2-CB 3.65Å; Y18-P171 HydrophobicContact CE2-CG 4.31Å; Y18-P171 WeakPolarHBondContact OH-CB 3.48Å; Y18-L172 PolarHBondContact OH-O 3.02Å; Y18-L172 VanDerWaalsContact OH-O 3.12Å |
| 19 | K | 94.9 | Very high | 93.1 | Very high | 77 Ų | 77 | 53.9 Ų | 53.9 | 34% | 0.335 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 176.1 | -175.5 | 170.2 | -174.2 | 151.5 | 0 | 111.7 | L15 S16 W17 S23 F26 D27 V28 | L15-K19 WeakPolarHBondContact O-CB 3.41Å; L15-K19 PolarHBondContact O-N 3.07Å; S16-K19 PolarHBondContact O-N 2.96Å; W17-K19 VanDerWaalsContact C-N 3.34Å; W17-K19 PolarHBondContact O-N 3.38Å; K19-S23 WeakPolarHBondContact O-CA 3.34Å; K19-S23 PolarHBondContact O-N 3.38Å; K19-F26 HydrophobicContact CB-CE2 4.32Å; K19-F26 WeakPolarHBondContact CD-O 3.41Å; K19-F26 WeakPolarHBondContact CE-O 3.46Å; K19-F26 PolarHBondContact NZ-O 2.73Å; K19-D27 IonicContact NZ-OD1 3.84Å; K19-D27 PolarHBondContact NZ-OD1 3.25Å; K19-V28 HydrophobicContact CD-CG2 4.45Å |
| 20 | L | 94 | Very high | 93.3 | Very high | 144 Ų | 144 | 54.8 Ų | 54.8 | 75% | 0.754 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -80.9 | -37.2 | -177 | -68.1 | 172.2 | 0 | 0 | 0 | 113.9 | S16 W17 Y18 | S16-L20 WeakPolarHBondContact O-CB 3.39Å; S16-L20 VanDerWaalsContact O-CG 3.28Å; S16-L20 WeakPolarHBondContact O-CG 3.31Å; S16-L20 PolarHBondContact O-N 3.04Å; W17-L20 PolarHBondContact O-N 2.98Å; Y18-L20 VanDerWaalsContact C-N 3.31Å; Y18-L20 PolarHBondContact O-N 2.88Å |
| 21 | T | 94.9 | Very high | 93.4 | Very high | 69 Ų | 69 | 57 Ų | 57 | 42% | 0.423 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -98.4 | -27.5 | -171.7 | 66.2 | 0 | 0 | 0 | 0 | 113.8 | W17 | W17-T21 HydrophobicContact CD2-CG2 3.99Å; W17-T21 HydrophobicContact CG-CG2 4.09Å; W17-T21 WeakPolarHBondContact CH2-OG1 3.2Å; W17-T21 HydrophobicContact CZ2-CG2 4.16Å; W17-T21 WeakPolarHBondContact CZ2-OG1 3.44Å; W17-T21 WeakPolarHBondContact CZ3-OG1 3.3Å; W17-T21 WeakPolarHBondContact O-CB 3.14Å; W17-T21 WeakPolarHBondContact O-CG2 3.31Å; W17-T21 PolarHBondContact O-N 3.06Å; W17-T21 PolarHBondContact O-OG1 2.71Å |
| 22 | K | 90.6 | Very high | 93.4 | Very high | 101 Ų | 101 | 60.8 Ų | 60.8 | 44% | 0.439 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -113.6 | 2.9 | -179.4 | -54.8 | -62.4 | -176 | 170.9 | 0 | 112.7 | W17 Y18 C24 | W17-K22 HydrophobicContact CZ3-CG 4.21Å; Y18-K22 HydrophobicContact CD1-CB 4.27Å; Y18-K22 HydrophobicContact CD1-CG 3.85Å; Y18-K22 HydrophobicContact CE1-CG 4.32Å; Y18-K22 CarbonylContact O-C 3.56Å; Y18-K22 WeakPolarHBondContact O-CA 3.48Å; Y18-K22 WeakPolarHBondContact O-CB 3.47Å; Y18-K22 PolarHBondContact O-N 3.07Å; K22-C24 PolarHBondContact O-N 2.9Å |
| 23 | S | 89.1 | Confident | 93.5 | Very high | 101 Ų | 101 | 62.6 Ų | 62.6 | 71% | 0.706 | 35% | 0.346 | S | S | * | . | trans | 53 | 36.1 | 179.7 | -57.1 | 0 | 0 | 0 | 0 | 113.3 | Y18 K19 | Y18-S23 PolarHBondContact O-N 3.4Å; K19-S23 WeakPolarHBondContact O-CA 3.34Å; K19-S23 PolarHBondContact O-N 3.38Å | ||
| 24 | C | 85.5 | Confident | 93.7 | Very high | 17 Ų | 17 | 59.8 Ų | 59.8 | 12% | 0.115 | 33% | 0.329 | C | S | . | . | trans | -66.2 | 131.8 | -179.7 | -63.9 | 0 | 0 | 0 | 0 | 111 | K22 F26 | K22-C24 PolarHBondContact O-N 2.9Å; C24-F26 HydrophobicContact CB-CD1 3.59Å; C24-F26 HydrophobicContact CB-CE1 3.21Å; C24-F26 HydrophobicContact CB-CZ 3.99Å; C24-F26 PolarHBondContact O-N 3.35Å | ||
| 25 | P | 87.9 | Confident | 93.7 | Very high | 138 Ų | 138 | 60 Ų | 60 | 90% | 0.896 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -85.4 | 54.1 | -171 | 36.7 | -38.5 | 0 | 0 | 0 | 112.5 | ||
| 26 | F | 90.8 | Very high | 93.7 | Very high | 24 Ų | 24 | 62.5 Ų | 62.5 | 11% | 0.105 | 34% | 0.343 | C | S | . | . | trans | -127.5 | 159.5 | 175.1 | 61.3 | -108.5 | 0 | 0 | 0 | 111.8 | L15 K19 C24 L67 T68 | L15-F26 HydrophobicContact CB-CE2 3.9Å; L15-F26 HydrophobicContact CB-CZ 4.22Å; L15-F26 HydrophobicContact CD2-CE2 4.15Å; L15-F26 HydrophobicContact CD2-CZ 3.88Å; K19-F26 HydrophobicContact CB-CE2 4.32Å; K19-F26 WeakPolarHBondContact CD-O 3.41Å; K19-F26 WeakPolarHBondContact CE-O 3.46Å; K19-F26 PolarHBondContact NZ-O 2.73Å; C24-F26 HydrophobicContact CB-CD1 3.59Å; C24-F26 HydrophobicContact CB-CE1 3.21Å; C24-F26 HydrophobicContact CB-CZ 3.99Å; C24-F26 PolarHBondContact O-N 3.35Å; F26-L67 HydrophobicContact CD1-CB 4.11Å; F26-L67 WeakPolarHBondContact CD1-O 3.18Å; F26-L67 HydrophobicContact CE1-CB 4.23Å; F26-L67 HydrophobicContact CG-CB 4.47Å; F26-T68 HydrophobicContact CE1-CG2 3.82Å; F26-T68 HydrophobicContact CZ-CG2 4.07Å | ||
| 27 | D | 93.5 | Very high | 93.9 | Very high | 131 Ų | 131 | 61 Ų | 61 | 70% | 0.701 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -89.5 | 146.8 | 164.1 | -70.3 | -42.2 | 0 | 0 | 0 | 110.8 | K19 P29 | K19-D27 IonicContact NZ-OD1 3.84Å; K19-D27 PolarHBondContact NZ-OD1 3.25Å; D27-P29 WeakPolarHBondContact O-CD 3.14Å |
| 28 | V | 95 | Very high | 94 | Very high | 45 Ų | 45 | 58.5 Ų | 58.5 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -70 | 117.8 | -179.6 | 173.1 | 0 | 0 | 0 | 0 | 107.3 | Q12 L15 K19 | Q12-V28 HydrophobicContact CB-CG1 3.6Å; Q12-V28 HydrophobicContact CG-CG1 3.52Å; L15-V28 HydrophobicContact CB-CG2 4.48Å; K19-V28 HydrophobicContact CD-CG2 4.45Å |
| 29 | P | 95.9 | Very high | 94 | Very high | 6 Ų | 6 | 61.6 Ų | 61.6 | 4% | 0.039 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 147.6 | -167.9 | 30.6 | -37.8 | 0 | 0 | 0 | 112.1 | Q12 L15 D27 E33 V34 L67 | Q12-P29 PolarHBondContact NE2-O 3.32Å; L15-P29 VanDerWaalsContact CD1-CD 3.43Å; L15-P29 HydrophobicContact CD1-CG 3.64Å; D27-P29 WeakPolarHBondContact O-CD 3.14Å; P29-E33 WeakPolarHBondContact CA-OE2 3.41Å; P29-E33 HydrophobicContact CB-CB 3.77Å; P29-V34 HydrophobicContact CB-CG2 4.01Å; P29-V34 HydrophobicContact CG-CG2 3.76Å; P29-L67 HydrophobicContact CG-CD1 3.86Å |
| 30 | T | 94.4 | Very high | 94.2 | Very high | 73 Ų | 73 | 64.4 Ų | 64.4 | 45% | 0.448 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 167.1 | 164.8 | 63.6 | 0 | 0 | 0 | 0 | 111.2 | L32 E33 V34 | T30-L32 VanDerWaalsContact C-N 3.27Å; T30-L32 PolarHBondContact O-N 2.86Å; T30-E33 WeakPolarHBondContact CB-OE2 3.08Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.07Å; T30-E33 PolarHBondContact N-OE2 3.2Å; T30-E33 PolarHBondContact O-N 3.36Å; T30-E33 WeakPolarHBondContact OG1-CG 3.07Å; T30-E33 PolarHBondContact OG1-N 2.76Å; T30-E33 PolarHBondContact OG1-OE2 2.67Å; T30-V34 WeakPolarHBondContact O-CG2 3.07Å; T30-V34 PolarHBondContact O-N 2.86Å |
| 31 | L | 93.4 | Very high | 94.4 | Very high | 49 Ų | 49 | 60.5 Ų | 60.5 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.2 | -41.5 | 175.4 | 173.4 | 61.8 | 0 | 0 | 0 | 112.3 | K4 T8 V34 Q35 I55 | K4-L31 HydrophobicContact CB-CD1 4.1Å; K4-L31 HydrophobicContact CB-CD2 3.92Å; K4-L31 HydrophobicContact CD-CD1 4.27Å; K4-L31 HydrophobicContact CD-CD2 3.95Å; T8-L31 HydrophobicContact CG2-CD1 3.58Å; L31-V34 PolarHBondContact O-N 2.74Å; L31-Q35 HydrophobicContact CD1-CG 4.43Å; L31-Q35 WeakPolarHBondContact O-CG 3.17Å; L31-Q35 PolarHBondContact O-N 2.81Å; L31-I55 HydrophobicContact CD1-CD1 3.81Å |
| 32 | L | 94.7 | Very high | 94.5 | Very high | 81 Ų | 81 | 60.1 Ų | 60.1 | 42% | 0.424 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66 | -41.3 | -180 | -177 | 61.7 | 0 | 0 | 0 | 111.3 | T30 Q35 N36 V49 D50 | T30-L32 VanDerWaalsContact C-N 3.27Å; T30-L32 PolarHBondContact O-N 2.86Å; L32-Q35 PolarHBondContact O-N 2.96Å; L32-N36 PolarHBondContact O-N 3.32Å; L32-N36 PolarHBondContact O-ND2 2.87Å; L32-N36 VanDerWaalsContact O-ND2 3.09Å; L32-V49 HydrophobicContact CD1-CG1 3.81Å; L32-D50 HydrophobicContact CD1-CB 4.37Å |
| 33 | E | 96.6 | Very high | 94.9 | Very high | 96 Ų | 96 | 57.7 Ų | 57.7 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 175.1 | -71.5 | 162.8 | 139.8 | 0 | 0 | 111.9 | P29 T30 Q35 N36 I37 | P29-E33 WeakPolarHBondContact CA-OE2 3.41Å; P29-E33 HydrophobicContact CB-CB 3.77Å; T30-E33 WeakPolarHBondContact CB-OE2 3.08Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.07Å; T30-E33 PolarHBondContact N-OE2 3.2Å; T30-E33 PolarHBondContact O-N 3.36Å; T30-E33 WeakPolarHBondContact OG1-CG 3.07Å; T30-E33 PolarHBondContact OG1-N 2.76Å; T30-E33 PolarHBondContact OG1-OE2 2.67Å; E33-Q35 VanDerWaalsContact C-N 3.32Å; E33-Q35 PolarHBondContact O-N 3.42Å; E33-N36 PolarHBondContact O-N 3.36Å; E33-I37 VanDerWaalsContact O-CG1 3.27Å; E33-I37 WeakPolarHBondContact O-CG1 3.32Å; E33-I37 PolarHBondContact O-N 2.67Å |
| 34 | V | 96.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.6 | -44.3 | 172.2 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | T8 L11 P29 T30 L31 I37 L38 I55 V63 | T8-V34 HydrophobicContact CG2-CG1 4.35Å; L11-V34 HydrophobicContact CD2-CG1 4.08Å; L11-V34 HydrophobicContact CD2-CG2 3.82Å; P29-V34 HydrophobicContact CB-CG2 4.01Å; P29-V34 HydrophobicContact CG-CG2 3.76Å; T30-V34 WeakPolarHBondContact O-CG2 3.07Å; T30-V34 PolarHBondContact O-N 2.86Å; L31-V34 PolarHBondContact O-N 2.74Å; V34-I37 PolarHBondContact O-N 3.33Å; V34-L38 HydrophobicContact CG1-CD1 4.23Å; V34-L38 WeakPolarHBondContact O-CG 3.33Å; V34-L38 PolarHBondContact O-N 3.25Å; V34-I55 HydrophobicContact CG1-CD1 3.92Å; V34-V63 HydrophobicContact CG1-CG2 3.96Å; V34-V63 HydrophobicContact CG2-CG1 4.43Å |
| 35 | Q | 96.1 | Very high | 95.8 | Very high | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.028 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 177.2 | -68.4 | 174.1 | -59.4 | 0 | 0 | 112.4 | L31 L32 E33 L38 H39 F48 I55 | L31-Q35 HydrophobicContact CD1-CG 4.43Å; L31-Q35 WeakPolarHBondContact O-CG 3.17Å; L31-Q35 PolarHBondContact O-N 2.81Å; L32-Q35 PolarHBondContact O-N 2.96Å; E33-Q35 VanDerWaalsContact C-N 3.32Å; E33-Q35 PolarHBondContact O-N 3.42Å; Q35-L38 PolarHBondContact O-N 3.35Å; Q35-H39 PolarHBondContact O-N 2.98Å; Q35-H39 VanDerWaalsContact O-N 3.07Å; Q35-F48 HydrophobicContact CB-CD1 4.2Å; Q35-F48 HydrophobicContact CB-CE1 4.18Å; Q35-F48 HydrophobicContact CG-CD1 4.21Å; Q35-F48 HydrophobicContact CG-CE1 3.84Å; Q35-F48 PolarHBondContact NE2-O 2.83Å; Q35-I55 HydrophobicContact CG-CD1 4.23Å |
| 36 | N | 97.8 | Very high | 96.2 | Very high | 53 Ų | 53 | 60.7 Ų | 60.7 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 174.5 | -77 | -47.6 | 0 | 0 | 0 | 111.3 | L32 E33 L38 H39 E40 V49 | L32-N36 PolarHBondContact O-N 3.32Å; L32-N36 PolarHBondContact O-ND2 2.87Å; L32-N36 VanDerWaalsContact O-ND2 3.09Å; E33-N36 PolarHBondContact O-N 3.36Å; N36-L38 VanDerWaalsContact C-N 3.32Å; N36-L38 PolarHBondContact O-N 3.29Å; N36-H39 CarbonylContact O-C 3.59Å; N36-H39 WeakPolarHBondContact O-CA 3.36Å; N36-H39 WeakPolarHBondContact O-CB 3.18Å; N36-H39 PolarHBondContact O-N 2.69Å; N36-E40 WeakPolarHBondContact O-CB 3.49Å; N36-E40 VanDerWaalsContact O-CG 3.31Å; N36-E40 WeakPolarHBondContact O-CG 3.38Å; N36-E40 PolarHBondContact O-N 3.39Å; N36-V49 VanDerWaalsContact OD1-CG1 3.24Å; N36-V49 WeakPolarHBondContact OD1-CG1 3.5Å |
| 37 | I | 97.9 | Very high | 96.5 | Very high | 15 Ų | 15 | 65.1 Ų | 65.1 | 8% | 0.077 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.8 | -46.7 | 175.9 | -70.1 | 163.3 | 0 | 0 | 0 | 110.7 | E33 V34 H39 E40 I41 V63 H66 L67 | E33-I37 VanDerWaalsContact O-CG1 3.27Å; E33-I37 WeakPolarHBondContact O-CG1 3.32Å; E33-I37 PolarHBondContact O-N 2.67Å; V34-I37 PolarHBondContact O-N 3.33Å; I37-H39 PolarHBondContact O-N 3.17Å; I37-E40 PolarHBondContact O-N 3.48Å; I37-I41 HydrophobicContact CG2-CG2 4.44Å; I37-I41 WeakPolarHBondContact O-CG1 3.22Å; I37-I41 WeakPolarHBondContact O-CG2 3.42Å; I37-I41 PolarHBondContact O-N 3.1Å; I37-V63 HydrophobicContact CD1-CG1 4.18Å; I37-V63 HydrophobicContact CG2-CG1 4.41Å; I37-V63 HydrophobicContact CG2-CG2 4.1Å; I37-H66 HydrophobicContact CG2-CB 4Å; I37-L67 HydrophobicContact CD1-CD1 3.99Å; I37-L67 HydrophobicContact CD1-CD2 3.93Å; I37-L67 HydrophobicContact CD1-CG 4.11Å |
| 38 | L | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.5 | -31.9 | 178.6 | -72.1 | 169.2 | 0 | 0 | 0 | 112.9 | V34 Q35 N36 I41 D43 K44 F48 I55 E59 L62 V63 | V34-L38 HydrophobicContact CG1-CD1 4.23Å; V34-L38 WeakPolarHBondContact O-CG 3.33Å; V34-L38 PolarHBondContact O-N 3.25Å; Q35-L38 PolarHBondContact O-N 3.35Å; N36-L38 VanDerWaalsContact C-N 3.32Å; N36-L38 PolarHBondContact O-N 3.29Å; L38-I41 HydrophobicContact CD2-CD1 4.21Å; L38-D43 HydrophobicContact CD2-CB 4.4Å; L38-D43 PolarHBondContact O-N 2.85Å; L38-D43 VanDerWaalsContact O-N 3.07Å; L38-K44 HydrophobicContact CB-CB 4.3Å; L38-K44 HydrophobicContact CB-CG 3.9Å; L38-K44 PolarHBondContact O-N 3.3Å; L38-F48 HydrophobicContact CB-CE1 4.38Å; L38-F48 HydrophobicContact CD1-CE1 3.78Å; L38-F48 HydrophobicContact CD1-CZ 4.26Å; L38-I55 HydrophobicContact CD1-CD1 4.32Å; L38-I55 HydrophobicContact CD1-CG1 4.16Å; L38-I55 HydrophobicContact CD1-CG2 4.41Å; L38-E59 HydrophobicContact CD1-CB 3.96Å; L38-E59 HydrophobicContact CD1-CG 4.31Å; L38-E59 HydrophobicContact CD2-CB 3.8Å; L38-E59 HydrophobicContact CD2-CG 4.15Å; L38-L62 HydrophobicContact CD2-CB 4.36Å; L38-L62 HydrophobicContact CD2-CD1 4.42Å; L38-V63 HydrophobicContact CD1-CG2 4.47Å; L38-V63 HydrophobicContact CD2-CG2 3.86Å; L38-V63 HydrophobicContact CG-CG2 3.88Å |
| 39 | H | 97.8 | Very high | 96.6 | Very high | 66 Ų | 66 | 58.6 Ų | 58.6 | 31% | 0.306 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71.8 | -47.6 | 171.3 | 173.8 | 43 | 0 | 0 | 0 | 112.2 | Q35 N36 I37 I41 G42 K44 R46 V49 | Q35-H39 PolarHBondContact O-N 2.98Å; Q35-H39 VanDerWaalsContact O-N 3.07Å; N36-H39 CarbonylContact O-C 3.59Å; N36-H39 WeakPolarHBondContact O-CA 3.36Å; N36-H39 WeakPolarHBondContact O-CB 3.18Å; N36-H39 PolarHBondContact O-N 2.69Å; I37-H39 PolarHBondContact O-N 3.17Å; H39-I41 VanDerWaalsContact C-N 3.32Å; H39-I41 PolarHBondContact O-N 2.79Å; H39-G42 WeakPolarHBondContact O-CA 2.94Å; H39-G42 PolarHBondContact O-N 3.5Å; H39-K44 WeakPolarHBondContact CA-O 3.38Å; H39-K44 PolarHBondContact ND1-O 3.46Å; H39-R46 PolarHBondContact ND1-N 2.88Å; H39-V49 HydrophobicContact CB-CG2 3.83Å |
| 40 | E | 98 | Very high | 96.5 | Very high | 136 Ų | 136 | 64.5 Ų | 64.5 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.2 | -39 | -177.8 | -74.9 | 171.5 | -169.2 | 0 | 0 | 112.6 | N36 I37 G42 | N36-E40 WeakPolarHBondContact O-CB 3.49Å; N36-E40 VanDerWaalsContact O-CG 3.31Å; N36-E40 WeakPolarHBondContact O-CG 3.38Å; N36-E40 PolarHBondContact O-N 3.39Å; I37-E40 PolarHBondContact O-N 3.48Å; E40-G42 PolarHBondContact O-N 3.12Å |
| 41 | I | 97.8 | Very high | 96.3 | Very high | 62 Ų | 62 | 62 Ų | 62 | 32% | 0.318 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -3.2 | 175.7 | 70.5 | -176.3 | 0 | 0 | 0 | 113.4 | I37 L38 H39 D43 L62 H66 | I37-I41 HydrophobicContact CG2-CG2 4.44Å; I37-I41 WeakPolarHBondContact O-CG1 3.22Å; I37-I41 WeakPolarHBondContact O-CG2 3.42Å; I37-I41 PolarHBondContact O-N 3.1Å; L38-I41 HydrophobicContact CD2-CD1 4.21Å; H39-I41 VanDerWaalsContact C-N 3.32Å; H39-I41 PolarHBondContact O-N 2.79Å; I41-D43 HydrophobicContact CD1-CB 4.31Å; I41-D43 HydrophobicContact CG1-CB 4.11Å; I41-L62 HydrophobicContact CD1-CB 3.73Å; I41-L62 HydrophobicContact CD1-CD1 4.11Å; I41-L62 HydrophobicContact CD1-CG 4.42Å; I41-H66 HydrophobicContact CG2-CB 4.31Å; I41-H66 WeakPolarHBondContact CG2-ND1 3.35Å |
| 42 | G | 97.6 | Very high | 96 | Very high | 62 Ų | 62 | 67.6 Ų | 67.6 | 64% | 0.639 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 9.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | H39 E40 | H39-G42 WeakPolarHBondContact O-CA 2.94Å; H39-G42 PolarHBondContact O-N 3.5Å; E40-G42 PolarHBondContact O-N 3.12Å |
| 43 | D | 97.9 | Very high | 95.7 | Very high | 50 Ų | 50 | 68 Ų | 68 | 27% | 0.267 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -71.7 | -35.9 | 175.7 | -176.5 | 79.2 | 0 | 0 | 0 | 111.7 | L38 I41 L62 | L38-D43 HydrophobicContact CD2-CB 4.4Å; L38-D43 PolarHBondContact O-N 2.85Å; L38-D43 VanDerWaalsContact O-N 3.07Å; I41-D43 HydrophobicContact CD1-CB 4.31Å; I41-D43 HydrophobicContact CG1-CB 4.11Å; D43-L62 HydrophobicContact CB-CD1 3.77Å; D43-L62 WeakPolarHBondContact OD1-CD1 3.33Å |
| 44 | K | 96.8 | Very high | 95.2 | Very high | 41 Ų | 41 | 68.5 Ų | 68.5 | 18% | 0.178 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -122.9 | 146.4 | -177.5 | -59.2 | -62.1 | -175.1 | -136.1 | 0 | 112.8 | L38 H39 F48 E59 | L38-K44 HydrophobicContact CB-CB 4.3Å; L38-K44 HydrophobicContact CB-CG 3.9Å; L38-K44 PolarHBondContact O-N 3.3Å; H39-K44 WeakPolarHBondContact CA-O 3.38Å; H39-K44 PolarHBondContact ND1-O 3.46Å; K44-F48 HydrophobicContact CB-CB 3.69Å; K44-F48 HydrophobicContact CB-CD1 3.63Å; K44-F48 HydrophobicContact CB-CD2 4.22Å; K44-F48 HydrophobicContact CB-CE1 4.29Å; K44-F48 HydrophobicContact CB-CG 3.58Å; K44-F48 HydrophobicContact CD-CD1 4.47Å; K44-F48 HydrophobicContact CD-CD2 3.95Å; K44-F48 HydrophobicContact CD-CE2 3.98Å; K44-F48 HydrophobicContact CD-CG 4.19Å; K44-F48 HydrophobicContact CD-CZ 4.27Å; K44-F48 HydrophobicContact CG-CB 4.41Å; K44-F48 HydrophobicContact CG-CD1 3.65Å; K44-F48 HydrophobicContact CG-CD2 4.02Å; K44-F48 HydrophobicContact CG-CE1 3.81Å; K44-F48 HydrophobicContact CG-CE2 4.14Å; K44-F48 HydrophobicContact CG-CG 3.77Å; K44-F48 HydrophobicContact CG-CZ 4.04Å; K44-E59 IonicContact NZ-OE1 3.46Å; K44-E59 PolarHBondContact NZ-OE1 3.36Å |
| 45 | P | 97.1 | Very high | 94.9 | Very high | 80 Ų | 80 | 68.6 Ų | 68.6 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | trans | -70.9 | 159.5 | 174.3 | 32.2 | -36.7 | 0 | 0 | 0 | 110.9 | V47 F48 | P45-V47 HydrophobicContact CB-CG2 4.07Å; P45-V47 HydrophobicContact CG-CG2 3.77Å; P45-V47 PolarHBondContact O-N 2.84Å; P45-F48 WeakPolarHBondContact O-CB 3.48Å; P45-F48 PolarHBondContact O-N 3.23Å | ||
| 46 | R | 97.2 | Very high | 94.6 | Very high | 197 Ų | 197 | 68.7 Ų | 68.7 | 74% | 0.743 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -53.6 | -32.7 | 179.6 | -174.2 | 172.2 | -178.4 | -104.6 | -1 | 113.9 | H39 F48 V49 | H39-R46 PolarHBondContact ND1-N 2.88Å; R46-F48 PolarHBondContact O-N 3.07Å; R46-F48 VanDerWaalsContact O-N 3.17Å; R46-V49 WeakPolarHBondContact O-CB 3.39Å; R46-V49 PolarHBondContact O-N 3.48Å; R46-V49 VanDerWaalsContact O-N 3.13Å |
| 47 | V | 96.6 | Very high | 94.4 | Very high | 118 Ų | 118 | 66.6 Ų | 66.6 | 72% | 0.715 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -65.4 | -12.6 | 177.5 | -60.5 | 0 | 0 | 0 | 0 | 113.8 | P45 S51 | P45-V47 HydrophobicContact CB-CG2 4.07Å; P45-V47 HydrophobicContact CG-CG2 3.77Å; P45-V47 PolarHBondContact O-N 2.84Å; V47-S51 VanDerWaalsContact O-CB 3.29Å; V47-S51 WeakPolarHBondContact O-CB 3.38Å |
| 48 | F | 94.8 | Very high | 94.2 | Very high | 6 Ų | 6 | 71.5 Ų | 71.5 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -75.4 | -27.1 | 173.7 | -176.7 | -98 | 0 | 0 | 0 | 112.8 | Q35 L38 K44 P45 R46 D50 S51 D53 I55 | Q35-F48 HydrophobicContact CB-CD1 4.2Å; Q35-F48 HydrophobicContact CB-CE1 4.18Å; Q35-F48 HydrophobicContact CG-CD1 4.21Å; Q35-F48 HydrophobicContact CG-CE1 3.84Å; Q35-F48 PolarHBondContact NE2-O 2.83Å; L38-F48 HydrophobicContact CB-CE1 4.38Å; L38-F48 HydrophobicContact CD1-CE1 3.78Å; L38-F48 HydrophobicContact CD1-CZ 4.26Å; K44-F48 HydrophobicContact CB-CB 3.69Å; K44-F48 HydrophobicContact CB-CD1 3.63Å; K44-F48 HydrophobicContact CB-CD2 4.22Å; K44-F48 HydrophobicContact CB-CE1 4.29Å; K44-F48 HydrophobicContact CB-CG 3.58Å; K44-F48 HydrophobicContact CD-CD1 4.47Å; K44-F48 HydrophobicContact CD-CD2 3.95Å; K44-F48 HydrophobicContact CD-CE2 3.98Å; K44-F48 HydrophobicContact CD-CG 4.19Å; K44-F48 HydrophobicContact CD-CZ 4.27Å; K44-F48 HydrophobicContact CG-CB 4.41Å; K44-F48 HydrophobicContact CG-CD1 3.65Å; K44-F48 HydrophobicContact CG-CD2 4.02Å; K44-F48 HydrophobicContact CG-CE1 3.81Å; K44-F48 HydrophobicContact CG-CE2 4.14Å; K44-F48 HydrophobicContact CG-CG 3.77Å; K44-F48 HydrophobicContact CG-CZ 4.04Å; P45-F48 WeakPolarHBondContact O-CB 3.48Å; P45-F48 PolarHBondContact O-N 3.23Å; R46-F48 PolarHBondContact O-N 3.07Å; R46-F48 VanDerWaalsContact O-N 3.17Å; F48-D50 PolarHBondContact O-N 2.76Å; F48-S51 VanDerWaalsContact O-CB 3.29Å; F48-S51 WeakPolarHBondContact O-CB 3.43Å; F48-S51 PolarHBondContact O-N 3.05Å; F48-S51 VanDerWaalsContact O-N 3.14Å; F48-S51 PolarHBondContact O-OG 3.14Å; F48-S51 VanDerWaalsContact O-OG 3.09Å; F48-D53 HydrophobicContact CD2-CB 3.6Å; F48-D53 HydrophobicContact CE2-CB 3.47Å; F48-D53 VanDerWaalsContact CE2-CB 3.47Å; F48-I55 HydrophobicContact CE1-CG1 4.24Å; F48-I55 HydrophobicContact CZ-CD1 4.37Å; F48-I55 HydrophobicContact CZ-CG1 3.67Å |
| 49 | V | 95.6 | Very high | 94.1 | Very high | 32 Ų | 32 | 72.9 Ų | 72.9 | 19% | 0.194 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 130.9 | 175.3 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | L32 N36 H39 R46 S51 | L32-V49 HydrophobicContact CD1-CG1 3.81Å; N36-V49 VanDerWaalsContact OD1-CG1 3.24Å; N36-V49 WeakPolarHBondContact OD1-CG1 3.5Å; H39-V49 HydrophobicContact CB-CG2 3.83Å; R46-V49 WeakPolarHBondContact O-CB 3.39Å; R46-V49 PolarHBondContact O-N 3.48Å; R46-V49 VanDerWaalsContact O-N 3.13Å; V49-S51 PolarHBondContact O-N 3.08Å |
| 50 | D | 93.5 | Very high | 93.9 | Very high | 130 Ų | 130 | 69.8 Ų | 69.8 | 70% | 0.695 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 7 | -174.7 | -157.9 | 36.9 | 0 | 0 | 0 | 114.8 | L32 F48 | L32-D50 HydrophobicContact CD1-CB 4.37Å; F48-D50 PolarHBondContact O-N 2.76Å |
| 51 | S | 92 | Very high | 93.9 | Very high | 22 Ų | 22 | 63.3 Ų | 63.3 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -73.5 | -174.9 | 178.4 | 92.5 | 0 | 0 | 0 | 0 | 112.4 | K4 V47 F48 V49 D53 | K4-S51 WeakPolarHBondContact CE-O 3.46Å; K4-S51 PolarHBondContact NZ-O 3.28Å; V47-S51 VanDerWaalsContact O-CB 3.29Å; V47-S51 WeakPolarHBondContact O-CB 3.38Å; F48-S51 VanDerWaalsContact O-CB 3.29Å; F48-S51 WeakPolarHBondContact O-CB 3.43Å; F48-S51 PolarHBondContact O-N 3.05Å; F48-S51 VanDerWaalsContact O-N 3.14Å; F48-S51 PolarHBondContact O-OG 3.14Å; F48-S51 VanDerWaalsContact O-OG 3.09Å; V49-S51 PolarHBondContact O-N 3.08Å; S51-D53 WeakPolarHBondContact CB-OD2 3.04Å; S51-D53 WeakPolarHBondContact OG-CB 3.36Å; S51-D53 PolarHBondContact OG-N 3.2Å; S51-D53 PolarHBondContact OG-OD2 2.97Å |
| 52 | H | 87.4 | Confident | 93.9 | Very high | 166 Ų | 166 | 61.5 Ų | 61.5 | 77% | 0.769 | 32% | 0.318 | S | S | * | . | trans | -106.1 | 9.8 | 169.1 | -66.7 | -30.3 | 0 | 0 | 0 | 114.8 | K4 | K4-H52 WeakPolarHBondContact CE-O 3.44Å; K4-H52 VanDerWaalsContact NZ-CA 3.33Å | ||
| 53 | D | 87.8 | Confident | 93.9 | Very high | 88 Ų | 88 | 58.6 Ų | 58.6 | 47% | 0.471 | 29% | 0.287 | S | S | . | . | trans | -72 | 151 | -176.3 | -55.1 | -38.7 | 0 | 0 | 0 | 114.1 | K4 F48 S51 | K4-D53 WeakPolarHBondContact CE-O 3.46Å; K4-D53 VanDerWaalsContact NZ-N 3.15Å; K4-D53 PolarHBondContact NZ-O 3.14Å; F48-D53 HydrophobicContact CD2-CB 3.6Å; F48-D53 HydrophobicContact CE2-CB 3.47Å; F48-D53 VanDerWaalsContact CE2-CB 3.47Å; S51-D53 WeakPolarHBondContact CB-OD2 3.04Å; S51-D53 WeakPolarHBondContact OG-CB 3.36Å; S51-D53 PolarHBondContact OG-N 3.2Å; S51-D53 PolarHBondContact OG-OD2 2.97Å | ||
| 54 | W | 85.4 | Confident | 93.9 | Very high | 107 Ų | 107 | 56.2 Ų | 56.2 | 41% | 0.405 | 28% | 0.275 | S | S | . | . | trans | -68.1 | 142.8 | -173.6 | -178.4 | -83.7 | 0 | 0 | 0 | 113.7 | L3 G56 | L3-W54 HydrophobicContact CB-CE3 4.25Å; L3-W54 HydrophobicContact CB-CZ3 4Å; L3-W54 HydrophobicContact CD2-CE3 4.16Å; L3-W54 HydrophobicContact CD2-CZ3 3.68Å; L3-W54 HydrophobicContact CG-CZ3 4.43Å; W54-G56 VanDerWaalsContact NE1-CA 3.33Å | ||
| 55 | I | 90.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | trans | -114.1 | 113.3 | 168.2 | -64 | 169.1 | 0 | 0 | 0 | 107.3 | T8 L31 V34 Q35 L38 F48 E59 | T8-I55 HydrophobicContact CG2-CD1 4.11Å; L31-I55 HydrophobicContact CD1-CD1 3.81Å; V34-I55 HydrophobicContact CG1-CD1 3.92Å; Q35-I55 HydrophobicContact CG-CD1 4.23Å; L38-I55 HydrophobicContact CD1-CD1 4.32Å; L38-I55 HydrophobicContact CD1-CG1 4.16Å; L38-I55 HydrophobicContact CD1-CG2 4.41Å; F48-I55 HydrophobicContact CE1-CG1 4.24Å; F48-I55 HydrophobicContact CZ-CD1 4.37Å; F48-I55 HydrophobicContact CZ-CG1 3.67Å; I55-E59 HydrophobicContact CG2-CB 3.73Å | ||
| 56 | G | 90.4 | Very high | 93.9 | Very high | 9 Ų | 9 | 56.9 Ų | 56.9 | 9% | 0.093 | 27% | 0.271 | C | S | . | . | trans | -93.4 | -174.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | W54 Y58 E59 C60 | W54-G56 VanDerWaalsContact NE1-CA 3.33Å; G56-Y58 PolarHBondContact O-N 2.87Å; G56-E59 WeakPolarHBondContact CA-OE2 3.07Å; G56-E59 PolarHBondContact N-OE2 3.41Å; G56-E59 PolarHBondContact O-N 3.35Å; G56-C60 PolarHBondContact O-N 3.29Å; G56-C60 PolarHBondContact O-SG 3.4Å | ||
| 57 | T | 92.8 | Very high | 93.9 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.1 | -32.1 | 178.1 | 53.3 | 0 | 0 | 0 | 0 | 112.5 | G61 M102 N167 | T57-G61 PolarHBondContact O-N 3.09Å; T57-M102 HydrophobicContact CG2-CG 4.12Å; T57-M102 HydrophobicContact CG2-SD 4Å; T57-N167 HydrophobicContact CG2-CB 4.11Å; T57-N167 VanDerWaalsContact OG1-CB 3.23Å; T57-N167 WeakPolarHBondContact OG1-CB 3.41Å |
| 58 | Y | 94.4 | Very high | 93.9 | Very high | 118 Ų | 118 | 44.2 Ų | 44.2 | 46% | 0.463 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -69.5 | -49.8 | 177.9 | 179.2 | -106 | 0 | 0 | 0 | 111.2 | G56 C60 G61 L62 F72 I74 | G56-Y58 PolarHBondContact O-N 2.87Å; Y58-C60 VanDerWaalsContact C-N 3.28Å; Y58-C60 PolarHBondContact O-N 2.86Å; Y58-G61 WeakPolarHBondContact O-CA 3.39Å; Y58-G61 PolarHBondContact O-N 3.5Å; Y58-L62 HydrophobicContact CD1-CD1 4.1Å; Y58-L62 HydrophobicContact CD1-CG 4.45Å; Y58-L62 HydrophobicContact CE1-CD1 3.61Å; Y58-L62 HydrophobicContact CE1-CD2 4.42Å; Y58-L62 HydrophobicContact CE1-CG 4.07Å; Y58-L62 PolarHBondContact O-N 3.42Å; Y58-F72 AromaticContact CD2-CE2 3.91Å; Y58-F72 HydrophobicContact CD2-CE2 3.91Å; Y58-F72 AromaticContact CD2-CZ 3.96Å; Y58-F72 HydrophobicContact CD2-CZ 3.96Å; Y58-F72 HydrophobicContact CE2-CE2 4.22Å; Y58-F72 AromaticContact CE2-CZ 3.88Å; Y58-F72 HydrophobicContact CE2-CZ 3.88Å; Y58-I74 HydrophobicContact CD2-CG1 4.18Å |
| 59 | E | 95 | Very high | 93.9 | Very high | 30 Ų | 30 | 51.6 Ų | 51.6 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.7 | -39.6 | 175.8 | -68.5 | 80.4 | -174.6 | 0 | 0 | 111.8 | L38 K44 I55 G56 G61 L62 V63 | L38-E59 HydrophobicContact CD1-CB 3.96Å; L38-E59 HydrophobicContact CD1-CG 4.31Å; L38-E59 HydrophobicContact CD2-CB 3.8Å; L38-E59 HydrophobicContact CD2-CG 4.15Å; K44-E59 IonicContact NZ-OE1 3.46Å; K44-E59 PolarHBondContact NZ-OE1 3.36Å; I55-E59 HydrophobicContact CG2-CB 3.73Å; G56-E59 WeakPolarHBondContact CA-OE2 3.07Å; G56-E59 PolarHBondContact N-OE2 3.41Å; G56-E59 PolarHBondContact O-N 3.35Å; E59-G61 VanDerWaalsContact C-N 3.32Å; E59-G61 PolarHBondContact O-N 2.72Å; E59-L62 PolarHBondContact O-N 2.7Å; E59-V63 VanDerWaalsContact O-CG2 3.3Å; E59-V63 WeakPolarHBondContact O-CG2 3.14Å; E59-V63 PolarHBondContact O-N 3.13Å; E59-V63 VanDerWaalsContact O-N 3.09Å |
| 60 | C | 95 | Very high | 93.8 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 173.7 | -66.3 | 0 | 0 | 0 | 0 | 111.9 | L11 G56 Y58 V63 V64 M102 | L11-C60 HydrophobicContact CB-CB 4.47Å; L11-C60 HydrophobicContact CD1-CB 4.24Å; G56-C60 PolarHBondContact O-N 3.29Å; G56-C60 PolarHBondContact O-SG 3.4Å; Y58-C60 VanDerWaalsContact C-N 3.28Å; Y58-C60 PolarHBondContact O-N 2.86Å; C60-V63 PolarHBondContact O-N 3.41Å; C60-V64 WeakPolarHBondContact O-CG2 3.45Å; C60-V64 PolarHBondContact O-N 3.36Å; C60-M102 HydrophobicContact CB-CE 3.46Å; C60-M102 VanDerWaalsContact CB-CE 3.46Å; C60-M102 HydrophobicContact CB-SD 3.65Å; C60-M102 VanDerWaalsContact SG-CE 3.55Å; C60-M102 VanDerWaalsContact SG-SD 3.69Å |
| 61 | G | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.3 | -43.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T57 Y58 E59 V63 V64 Q65 F72 | T57-G61 PolarHBondContact O-N 3.09Å; Y58-G61 WeakPolarHBondContact O-CA 3.39Å; Y58-G61 PolarHBondContact O-N 3.5Å; E59-G61 VanDerWaalsContact C-N 3.32Å; E59-G61 PolarHBondContact O-N 2.72Å; G61-V63 VanDerWaalsContact C-N 3.28Å; G61-V63 PolarHBondContact O-N 3.29Å; G61-V64 WeakPolarHBondContact O-CB 3.19Å; G61-V64 PolarHBondContact O-N 3.05Å; G61-Q65 PolarHBondContact O-N 3.15Å; G61-F72 WeakPolarHBondContact O-CD1 3.4Å; G61-F72 WeakPolarHBondContact O-CE1 3.42Å |
| 62 | L | 98.1 | Very high | 94.3 | Very high | 24 Ų | 24 | 51.9 Ų | 51.9 | 13% | 0.126 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.1 | -40.1 | 175.5 | -68.2 | 177.9 | 0 | 0 | 0 | 112.3 | L38 I41 D43 Y58 E59 Q65 H66 F72 | L38-L62 HydrophobicContact CD2-CB 4.36Å; L38-L62 HydrophobicContact CD2-CD1 4.42Å; I41-L62 HydrophobicContact CD1-CB 3.73Å; I41-L62 HydrophobicContact CD1-CD1 4.11Å; I41-L62 HydrophobicContact CD1-CG 4.42Å; D43-L62 HydrophobicContact CB-CD1 3.77Å; D43-L62 WeakPolarHBondContact OD1-CD1 3.33Å; Y58-L62 HydrophobicContact CD1-CD1 4.1Å; Y58-L62 HydrophobicContact CD1-CG 4.45Å; Y58-L62 HydrophobicContact CE1-CD1 3.61Å; Y58-L62 HydrophobicContact CE1-CD2 4.42Å; Y58-L62 HydrophobicContact CE1-CG 4.07Å; Y58-L62 PolarHBondContact O-N 3.42Å; E59-L62 PolarHBondContact O-N 2.7Å; L62-Q65 PolarHBondContact O-N 3.01Å; L62-H66 WeakPolarHBondContact O-CB 3.36Å; L62-H66 PolarHBondContact O-N 3.29Å; L62-F72 HydrophobicContact CD2-CE1 4.03Å; L62-F72 HydrophobicContact CD2-CZ 4.02Å; L62-F72 HydrophobicContact CG-CE1 4.43Å; L62-F72 HydrophobicContact CG-CZ 4.19Å |
| 63 | V | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.6 | -40.4 | 177.9 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | L11 V34 I37 L38 E59 C60 G61 H66 L67 | L11-V63 HydrophobicContact CD1-CB 4.48Å; L11-V63 HydrophobicContact CD1-CG1 4.45Å; L11-V63 HydrophobicContact CD2-CB 4.13Å; L11-V63 HydrophobicContact CD2-CG1 3.92Å; V34-V63 HydrophobicContact CG1-CG2 3.96Å; V34-V63 HydrophobicContact CG2-CG1 4.43Å; I37-V63 HydrophobicContact CD1-CG1 4.18Å; I37-V63 HydrophobicContact CG2-CG1 4.41Å; I37-V63 HydrophobicContact CG2-CG2 4.1Å; L38-V63 HydrophobicContact CD1-CG2 4.47Å; L38-V63 HydrophobicContact CD2-CG2 3.86Å; L38-V63 HydrophobicContact CG-CG2 3.88Å; E59-V63 VanDerWaalsContact O-CG2 3.3Å; E59-V63 WeakPolarHBondContact O-CG2 3.14Å; E59-V63 PolarHBondContact O-N 3.13Å; E59-V63 VanDerWaalsContact O-N 3.09Å; C60-V63 PolarHBondContact O-N 3.41Å; G61-V63 VanDerWaalsContact C-N 3.28Å; G61-V63 PolarHBondContact O-N 3.29Å; V63-H66 PolarHBondContact O-N 2.97Å; V63-L67 HydrophobicContact CG1-CD1 3.91Å; V63-L67 HydrophobicContact CG1-CG 4.49Å; V63-L67 WeakPolarHBondContact O-CG 3.4Å; V63-L67 PolarHBondContact O-N 3.03Å |
| 64 | V | 97.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.1 | -53.3 | 170.9 | 171.9 | 0 | 0 | 0 | 0 | 109.6 | L11 I14 L15 Y18 C60 G61 H66 L67 T68 P171 | L11-V64 HydrophobicContact CD1-CG2 3.52Å; I14-V64 HydrophobicContact CG2-CG2 3.87Å; L15-V64 HydrophobicContact CD2-CG2 4.26Å; Y18-V64 HydrophobicContact CE2-CG1 4.08Å; C60-V64 WeakPolarHBondContact O-CG2 3.45Å; C60-V64 PolarHBondContact O-N 3.36Å; G61-V64 WeakPolarHBondContact O-CB 3.19Å; G61-V64 PolarHBondContact O-N 3.05Å; V64-H66 VanDerWaalsContact C-N 3.33Å; V64-H66 PolarHBondContact O-N 3.46Å; V64-L67 PolarHBondContact O-N 3.35Å; V64-T68 HydrophobicContact CG1-CG2 4.09Å; V64-T68 WeakPolarHBondContact O-CB 3.28Å; V64-T68 WeakPolarHBondContact O-CG2 3.45Å; V64-T68 PolarHBondContact O-N 2.97Å; V64-T68 PolarHBondContact O-OG1 2.98Å; V64-P171 HydrophobicContact CG1-CB 4.11Å; V64-P171 HydrophobicContact CG1-CG 4.38Å |
| 65 | Q | 97.3 | Very high | 95.7 | Very high | 72 Ų | 72 | 42.5 Ų | 42.5 | 34% | 0.336 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60 | -41.8 | -179.2 | -176.9 | 179.8 | -0.8 | 0 | 0 | 113 | G61 L62 L67 K69 H70 D71 F72 | G61-Q65 PolarHBondContact O-N 3.15Å; L62-Q65 PolarHBondContact O-N 3.01Å; Q65-L67 PolarHBondContact O-N 3.17Å; Q65-K69 VanDerWaalsContact O-CA 3.24Å; Q65-K69 WeakPolarHBondContact O-CA 3.44Å; Q65-K69 PolarHBondContact O-N 3.43Å; Q65-H70 WeakPolarHBondContact CA-O 3.24Å; Q65-H70 WeakPolarHBondContact CB-O 3.22Å; Q65-H70 WeakPolarHBondContact CG-O 3.06Å; Q65-D71 PolarHBondContact NE2-OD1 3.42Å; Q65-D71 VanDerWaalsContact NE2-OD1 3.17Å; Q65-F72 HydrophobicContact CB-CD1 4.07Å; Q65-F72 HydrophobicContact CB-CE1 4.32Å; Q65-F72 VanDerWaalsContact OE1-CE1 3.31Å |
| 66 | H | 97.1 | Very high | 95.9 | Very high | 62 Ų | 62 | 47.6 Ų | 47.6 | 29% | 0.287 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.8 | -45.6 | 177.8 | -177.9 | 87.3 | 0 | 0 | 0 | 112.2 | I37 I41 L62 V63 V64 K69 | I37-H66 HydrophobicContact CG2-CB 4Å; I41-H66 HydrophobicContact CG2-CB 4.31Å; I41-H66 WeakPolarHBondContact CG2-ND1 3.35Å; L62-H66 WeakPolarHBondContact O-CB 3.36Å; L62-H66 PolarHBondContact O-N 3.29Å; V63-H66 PolarHBondContact O-N 2.97Å; V64-H66 VanDerWaalsContact C-N 3.33Å; V64-H66 PolarHBondContact O-N 3.46Å; H66-K69 WeakPolarHBondContact O-CE 3.36Å; H66-K69 PolarHBondContact O-NZ 3.29Å |
| 67 | L | 96.8 | Very high | 96 | Very high | 41 Ų | 41 | 47.1 Ų | 47.1 | 22% | 0.215 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -84 | -38.1 | -174.1 | -67.5 | 175.5 | 0 | 0 | 0 | 113.6 | L15 F26 P29 I37 V63 V64 Q65 | L15-L67 HydrophobicContact CD1-CD1 3.81Å; L15-L67 HydrophobicContact CD2-CB 4.29Å; L15-L67 HydrophobicContact CD2-CD1 4.09Å; F26-L67 HydrophobicContact CD1-CB 4.11Å; F26-L67 WeakPolarHBondContact CD1-O 3.18Å; F26-L67 HydrophobicContact CE1-CB 4.23Å; F26-L67 HydrophobicContact CG-CB 4.47Å; P29-L67 HydrophobicContact CG-CD1 3.86Å; I37-L67 HydrophobicContact CD1-CD1 3.99Å; I37-L67 HydrophobicContact CD1-CD2 3.93Å; I37-L67 HydrophobicContact CD1-CG 4.11Å; V63-L67 HydrophobicContact CG1-CD1 3.91Å; V63-L67 HydrophobicContact CG1-CG 4.49Å; V63-L67 WeakPolarHBondContact O-CG 3.4Å; V63-L67 PolarHBondContact O-N 3.03Å; V64-L67 PolarHBondContact O-N 3.35Å; Q65-L67 PolarHBondContact O-N 3.17Å |
| 68 | T | 95.7 | Very high | 95.9 | Very high | 9 Ų | 9 | 51.7 Ų | 51.7 | 6% | 0.055 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -95.2 | -16.1 | -174.8 | 72.8 | 0 | 0 | 0 | 0 | 112.8 | L15 Y18 F26 V64 H70 | L15-T68 HydrophobicContact CD2-CG2 4.01Å; Y18-T68 HydrophobicContact CD1-CG2 3.76Å; Y18-T68 HydrophobicContact CD2-CG2 3.82Å; Y18-T68 HydrophobicContact CE1-CG2 4.23Å; Y18-T68 HydrophobicContact CE2-CG2 4.27Å; Y18-T68 HydrophobicContact CG-CG2 3.55Å; F26-T68 HydrophobicContact CE1-CG2 3.82Å; F26-T68 HydrophobicContact CZ-CG2 4.07Å; V64-T68 HydrophobicContact CG1-CG2 4.09Å; V64-T68 WeakPolarHBondContact O-CB 3.28Å; V64-T68 WeakPolarHBondContact O-CG2 3.45Å; V64-T68 PolarHBondContact O-N 2.97Å; V64-T68 PolarHBondContact O-OG1 2.98Å; T68-H70 PolarHBondContact O-N 3.17Å; T68-H70 PolarHBondContact O-ND1 3Å; T68-H70 WeakPolarHBondContact OG1-CB 3.38Å; T68-H70 PolarHBondContact OG1-N 3.41Å; T68-H70 VanDerWaalsContact OG1-N 3.14Å |
| 69 | K | 94.9 | Very high | 95.5 | Very high | 161 Ų | 161 | 53 Ų | 53 | 70% | 0.7 | 24% | 0.244 | S | C | * | . | trans | 60.3 | 19.6 | -170.1 | -47 | -54.2 | -178.3 | -166.9 | 0 | 114.1 | Q65 H66 | Q65-K69 VanDerWaalsContact O-CA 3.24Å; Q65-K69 WeakPolarHBondContact O-CA 3.44Å; Q65-K69 PolarHBondContact O-N 3.43Å; H66-K69 WeakPolarHBondContact O-CE 3.36Å; H66-K69 PolarHBondContact O-NZ 3.29Å | ||
| 70 | H | 95.4 | Very high | 94.9 | Very high | 62 Ų | 62 | 52 Ų | 52 | 29% | 0.287 | 24% | 0.241 | S | C | . | . | trans | -103.6 | 144.8 | 173.4 | -66.5 | 66.8 | 0 | 0 | 0 | 110.4 | Y18 Q65 T68 L172 | Y18-H70 HydrophobicContact CE1-CB 4.19Å; Y18-H70 AromaticContact CE1-CD2 3.93Å; Y18-H70 AromaticContact CE1-CG 3.72Å; Y18-H70 AromaticContact CE1-ND1 3.77Å; Q65-H70 WeakPolarHBondContact CA-O 3.24Å; Q65-H70 WeakPolarHBondContact CB-O 3.22Å; Q65-H70 WeakPolarHBondContact CG-O 3.06Å; T68-H70 PolarHBondContact O-N 3.17Å; T68-H70 PolarHBondContact O-ND1 3Å; T68-H70 WeakPolarHBondContact OG1-CB 3.38Å; T68-H70 PolarHBondContact OG1-N 3.41Å; T68-H70 VanDerWaalsContact OG1-N 3.14Å; H70-L172 WeakPolarHBondContact CB-O 3.38Å; H70-L172 PolarHBondContact CD2-O 3.01Å | ||
| 71 | D | 97.3 | Very high | 94.7 | Very high | 96 Ų | 96 | 56.8 Ų | 56.8 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | trans | -70.7 | 173.1 | 176.3 | -72.3 | -36.1 | 0 | 0 | 0 | 111.9 | Q65 L172 | Q65-D71 PolarHBondContact NE2-OD1 3.42Å; Q65-D71 VanDerWaalsContact NE2-OD1 3.17Å; D71-L172 HydrophobicContact CB-CB 4.38Å; D71-L172 HydrophobicContact CB-CD1 4.29Å; D71-L172 PolarHBondContact O-N 3.42Å | ||
| 72 | F | 97.7 | Very high | 94.5 | Very high | 32 Ų | 32 | 57.5 Ų | 57.5 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 160.3 | 171.6 | 69.2 | -80.3 | 0 | 0 | 0 | 110.7 | Y58 G61 L62 Q65 I74 L170 | Y58-F72 AromaticContact CD2-CE2 3.91Å; Y58-F72 HydrophobicContact CD2-CE2 3.91Å; Y58-F72 AromaticContact CD2-CZ 3.96Å; Y58-F72 HydrophobicContact CD2-CZ 3.96Å; Y58-F72 HydrophobicContact CE2-CE2 4.22Å; Y58-F72 AromaticContact CE2-CZ 3.88Å; Y58-F72 HydrophobicContact CE2-CZ 3.88Å; G61-F72 WeakPolarHBondContact O-CD1 3.4Å; G61-F72 WeakPolarHBondContact O-CE1 3.42Å; L62-F72 HydrophobicContact CD2-CE1 4.03Å; L62-F72 HydrophobicContact CD2-CZ 4.02Å; L62-F72 HydrophobicContact CG-CE1 4.43Å; L62-F72 HydrophobicContact CG-CZ 4.19Å; Q65-F72 HydrophobicContact CB-CD1 4.07Å; Q65-F72 HydrophobicContact CB-CE1 4.32Å; Q65-F72 VanDerWaalsContact OE1-CE1 3.31Å; F72-I74 HydrophobicContact CD2-CD1 3.83Å; F72-I74 HydrophobicContact CD2-CG1 4.11Å; F72-I74 HydrophobicContact CE2-CD1 3.77Å; F72-I74 HydrophobicContact CE2-CG1 3.79Å; F72-L170 CarbonylContact C-O 3.52Å; F72-L170 VanDerWaalsContact CA-O 3.27Å; F72-L170 WeakPolarHBondContact CA-O 3.4Å |
| 73 | K | 97.6 | Very high | 94.2 | Very high | 87 Ų | 87 | 58.4 Ų | 58.4 | 38% | 0.378 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 132.6 | 175.7 | -174.8 | 176 | -177.9 | 176.7 | 0 | 110.6 | I75 L170 L172 | K73-I75 HydrophobicContact CD-CD1 4.39Å; K73-I75 HydrophobicContact CD-CG1 4.23Å; K73-I75 HydrophobicContact CG-CG1 4.16Å; K73-L170 HydrophobicContact CB-CB 4.37Å; K73-L170 PolarHBondContact N-O 3.47Å; K73-L170 PolarHBondContact O-N 3.38Å; K73-L172 HydrophobicContact CB-CD1 4.21Å; K73-L172 HydrophobicContact CB-CD2 4.23Å; K73-L172 HydrophobicContact CB-CG 4.34Å |
| 74 | I | 96.8 | Very high | 94 | Very high | 60 Ų | 60 | 67 Ų | 67 | 31% | 0.308 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 127 | 167.8 | -57.3 | -56.5 | 0 | 0 | 0 | 109.6 | Y58 F72 N167 L168 C169 | Y58-I74 HydrophobicContact CD2-CG1 4.18Å; F72-I74 HydrophobicContact CD2-CD1 3.83Å; F72-I74 HydrophobicContact CD2-CG1 4.11Å; F72-I74 HydrophobicContact CE2-CD1 3.77Å; F72-I74 HydrophobicContact CE2-CG1 3.79Å; I74-N167 HydrophobicContact CG2-CB 4.38Å; I74-L168 CarbonylContact C-O 3.56Å; I74-L168 VanDerWaalsContact CA-O 3.26Å; I74-L168 WeakPolarHBondContact CA-O 3.49Å; I74-C169 HydrophobicContact CD1-CB 3.64Å |
| 75 | I | 96 | Very high | 94 | Very high | 16 Ų | 16 | 73.1 Ų | 73.1 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 124.5 | 172 | -58.2 | 172.8 | 0 | 0 | 0 | 108.3 | K73 I86 L89 L168 L170 | K73-I75 HydrophobicContact CD-CD1 4.39Å; K73-I75 HydrophobicContact CD-CG1 4.23Å; K73-I75 HydrophobicContact CG-CG1 4.16Å; I75-I86 HydrophobicContact CG2-CG1 4.25Å; I75-I86 HydrophobicContact CG2-CG2 4.41Å; I75-L89 HydrophobicContact CD1-CB 3.95Å; I75-L89 HydrophobicContact CD1-CD1 3.74Å; I75-L89 HydrophobicContact CD1-CG 4.43Å; I75-L168 HydrophobicContact CB-CB 4.21Å; I75-L168 HydrophobicContact CB-CD1 4.32Å; I75-L168 HydrophobicContact CG2-CD1 4.4Å; I75-L168 PolarHBondContact N-O 3.08Å; I75-L168 PolarHBondContact O-N 3.49Å; I75-L170 HydrophobicContact CB-CD1 4.39Å; I75-L170 HydrophobicContact CD1-CD1 3.73Å; I75-L170 HydrophobicContact CD1-CD2 3.69Å; I75-L170 HydrophobicContact CD1-CG 4.39Å; I75-L170 HydrophobicContact CG1-CD1 4.03Å |
| 76 | R | 93.7 | Very high | 93.9 | Very high | 110 Ų | 110 | 70.5 Ų | 70.5 | 42% | 0.415 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 128.7 | 175.6 | -173.6 | 171.6 | 175.3 | 82.1 | 4.4 | 110.4 | E78 F165 Y166 | R76-E78 IonicContact CZ-OE1 2.81Å; R76-E78 IonicContact NE-OE1 3.38Å; R76-E78 PolarHBondContact NE-OE1 3.39Å; R76-E78 IonicContact NH2-OE1 2.69Å; R76-E78 PolarHBondContact NH2-OE1 2.9Å; R76-E78 IonicContact NH2-OE2 3.9Å; R76-F165 VanDerWaalsContact CZ-CG 3.47Å; R76-F165 VanDerWaalsContact NH1-CG 3.26Å; R76-F165 VanDerWaalsContact NH2-CB 3.25Å; R76-F165 VanDerWaalsContact NH2-CD1 3.29Å; R76-Y166 CarbonylContact C-O 3.57Å; R76-Y166 WeakPolarHBondContact CA-O 3.46Å |
| 77 | V | 93 | Very high | 93.8 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 110.6 | 172.4 | -171.6 | 0 | 0 | 0 | 0 | 107.7 | N81 F82 I86 F165 Y166 L168 | V77-N81 WeakPolarHBondContact CG1-O 3.29Å; V77-F82 HydrophobicContact CG1-CD1 4.48Å; V77-F82 HydrophobicContact CG1-CD2 3.81Å; V77-F82 HydrophobicContact CG1-CE2 3.84Å; V77-F82 HydrophobicContact CG1-CG 4.12Å; V77-F82 HydrophobicContact CG1-CZ 4.24Å; V77-F82 HydrophobicContact CG2-CD1 4.32Å; V77-F82 HydrophobicContact CG2-CE1 3.96Å; V77-F82 HydrophobicContact CG2-CE2 4.46Å; V77-F82 HydrophobicContact CG2-CZ 4.02Å; V77-I86 HydrophobicContact CB-CD1 4.49Å; V77-I86 HydrophobicContact CG1-CD1 4.39Å; V77-I86 HydrophobicContact CG2-CD1 4.18Å; V77-I86 HydrophobicContact CG2-CG2 4.22Å; V77-F165 CarbonylContact O-C 3.58Å; V77-F165 VanDerWaalsContact O-CA 3.28Å; V77-F165 WeakPolarHBondContact O-CA 3.02Å; V77-Y166 PolarHBondContact N-O 3.3Å; V77-Y166 PolarHBondContact O-N 2.93Å; V77-L168 HydrophobicContact CG2-CD1 3.73Å; V77-L168 HydrophobicContact CG2-CG 4.06Å |
| 78 | E | 89.7 | Confident | 93.8 | Very high | 103 Ų | 103 | 71.7 Ų | 71.7 | 48% | 0.481 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -78.1 | 134.3 | 178.3 | -73.1 | -64.6 | 170.2 | 0 | 0 | 111.1 | R76 G80 N81 | R76-E78 IonicContact CZ-OE1 2.81Å; R76-E78 IonicContact NE-OE1 3.38Å; R76-E78 PolarHBondContact NE-OE1 3.39Å; R76-E78 IonicContact NH2-OE1 2.69Å; R76-E78 PolarHBondContact NH2-OE1 2.9Å; R76-E78 IonicContact NH2-OE2 3.9Å; E78-G80 PolarHBondContact O-N 3.39Å; E78-G80 VanDerWaalsContact O-N 3.11Å; E78-N81 WeakPolarHBondContact O-CB 3.49Å; E78-N81 PolarHBondContact O-N 3.3Å |
| 79 | K | 85.9 | Confident | 93.9 | Very high | 147 Ų | 147 | 74.2 Ų | 74.2 | 64% | 0.639 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | 49.7 | 39.8 | 173.1 | -64.8 | -177.2 | -177 | 178.8 | 0 | 113.8 | N81 E162 H164 | K79-N81 PolarHBondContact O-N 3.04Å; K79-E162 CarbonylContact C-O 3.48Å; K79-E162 WeakPolarHBondContact CA-O 3.32Å; K79-E162 WeakPolarHBondContact CB-O 3.49Å; K79-E162 WeakPolarHBondContact O-CA 3.34Å; K79-H164 CarbonylContact C-O 3.6Å; K79-H164 WeakPolarHBondContact CA-O 3.27Å; K79-H164 PolarHBondContact N-O 2.98Å |
| 80 | G | 83.9 | Confident | 94 | Very high | 8 Ų | 8 | 66.5 Ų | 66.5 | 8% | 0.082 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | 58.3 | 12.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | E78 F82 H164 | E78-G80 PolarHBondContact O-N 3.39Å; E78-G80 VanDerWaalsContact O-N 3.11Å; G80-F82 WeakPolarHBondContact O-CD2 3.43Å; G80-F82 PolarHBondContact O-N 3.45Å; G80-F82 VanDerWaalsContact O-N 3.11Å; G80-H164 PolarHBondContact N-O 2.87Å; G80-H164 VanDerWaalsContact N-O 3.08Å |
| 81 | N | 90 | Very high | 94.1 | Very high | 101 Ų | 101 | 65.6 Ų | 65.6 | 54% | 0.54 | 31% | 0.309 | S | S | . | . | trans | -83.9 | 87.4 | -176.8 | -175.7 | 17.5 | 0 | 0 | 0 | 111 | V77 E78 K79 T83 | V77-N81 WeakPolarHBondContact CG1-O 3.29Å; E78-N81 WeakPolarHBondContact O-CB 3.49Å; E78-N81 PolarHBondContact O-N 3.3Å; K79-N81 PolarHBondContact O-N 3.04Å; N81-T83 VanDerWaalsContact C-N 3.34Å; N81-T83 PolarHBondContact O-N 3.13Å | ||
| 82 | F | 92.4 | Very high | 94.1 | Very high | 15 Ų | 15 | 63.9 Ų | 63.9 | 7% | 0.066 | 30% | 0.3 | C | S | . | . | trans | -72.4 | 87.5 | 172 | -74 | -100.8 | 0 | 0 | 0 | 110.2 | V77 G80 I86 I87 L90 L103 L127 V157 L160 L168 | V77-F82 HydrophobicContact CG1-CD1 4.48Å; V77-F82 HydrophobicContact CG1-CD2 3.81Å; V77-F82 HydrophobicContact CG1-CE2 3.84Å; V77-F82 HydrophobicContact CG1-CG 4.12Å; V77-F82 HydrophobicContact CG1-CZ 4.24Å; V77-F82 HydrophobicContact CG2-CD1 4.32Å; V77-F82 HydrophobicContact CG2-CE1 3.96Å; V77-F82 HydrophobicContact CG2-CE2 4.46Å; V77-F82 HydrophobicContact CG2-CZ 4.02Å; G80-F82 WeakPolarHBondContact O-CD2 3.43Å; G80-F82 PolarHBondContact O-N 3.45Å; G80-F82 VanDerWaalsContact O-N 3.11Å; F82-I86 HydrophobicContact CD1-CG2 3.96Å; F82-I87 HydrophobicContact CB-CD1 3.78Å; F82-I87 HydrophobicContact CB-CG1 4.32Å; F82-I87 HydrophobicContact CD1-CD1 4.1Å; F82-I87 HydrophobicContact CG-CD1 4.36Å; F82-L90 HydrophobicContact CD1-CD1 4.28Å; F82-L90 HydrophobicContact CE1-CD1 4.32Å; F82-L103 HydrophobicContact CZ-CD1 4.03Å; F82-L127 HydrophobicContact CD1-CD1 4.43Å; F82-L127 HydrophobicContact CE1-CD1 3.94Å; F82-L127 HydrophobicContact CZ-CD1 4.13Å; F82-V157 HydrophobicContact CB-CB 3.99Å; F82-V157 HydrophobicContact CB-CG1 4.01Å; F82-V157 HydrophobicContact CB-CG2 4.36Å; F82-V157 HydrophobicContact CD1-CG1 4.4Å; F82-V157 HydrophobicContact CD2-CB 4.01Å; F82-V157 HydrophobicContact CD2-CG1 4.25Å; F82-V157 HydrophobicContact CG-CB 4.1Å; F82-V157 HydrophobicContact CG-CG1 3.97Å; F82-L160 HydrophobicContact CD2-CD1 4.14Å; F82-L160 HydrophobicContact CE2-CD1 3.27Å; F82-L160 HydrophobicContact CZ-CD1 3.65Å; F82-L168 HydrophobicContact CE1-CD1 4.13Å; F82-L168 HydrophobicContact CE1-CD2 4.41Å | ||
| 83 | T | 93 | Very high | 94.2 | Very high | 43 Ų | 43 | 62.8 Ų | 62.8 | 26% | 0.264 | 30% | 0.295 | S | S | . | . | trans | -64.1 | 164.1 | 179.8 | 78.5 | 0 | 0 | 0 | 0 | 112 | N81 E85 I86 I87 | N81-T83 VanDerWaalsContact C-N 3.34Å; N81-T83 PolarHBondContact O-N 3.13Å; T83-E85 WeakPolarHBondContact CB-OE2 3.39Å; T83-E85 PolarHBondContact O-N 3.2Å; T83-E85 PolarHBondContact OG1-N 2.88Å; T83-E85 PolarHBondContact OG1-OE2 2.81Å; T83-I86 HydrophobicContact CG2-CD1 4.43Å; T83-I86 PolarHBondContact O-N 2.93Å; T83-I86 VanDerWaalsContact O-N 3.08Å; T83-I86 PolarHBondContact OG1-N 3.05Å; T83-I87 WeakPolarHBondContact O-CG1 3.43Å; T83-I87 PolarHBondContact O-N 2.8Å | ||
| 84 | K | 93.3 | Very high | 94.2 | Very high | 181 Ų | 181 | 60.4 Ų | 60.4 | 79% | 0.787 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -57.3 | -35.1 | 178.2 | -66.5 | -174.9 | -178 | -179.9 | 0 | 112 | I87 K88 | K84-I87 PolarHBondContact O-N 2.97Å; K84-K88 WeakPolarHBondContact O-CB 3.41Å; K84-K88 PolarHBondContact O-N 3.27Å |
| 85 | E | 95.7 | Very high | 94.2 | Very high | 129 Ų | 129 | 64.8 Ų | 64.8 | 60% | 0.603 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -66.8 | -44 | 176.9 | -57.3 | 72.1 | -155.2 | 0 | 0 | 111.3 | T83 K88 L89 | T83-E85 WeakPolarHBondContact CB-OE2 3.39Å; T83-E85 PolarHBondContact O-N 3.2Å; T83-E85 PolarHBondContact OG1-N 2.88Å; T83-E85 PolarHBondContact OG1-OE2 2.81Å; E85-K88 PolarHBondContact O-N 2.84Å; E85-L89 WeakPolarHBondContact O-CG 3.36Å; E85-L89 PolarHBondContact O-N 3.25Å |
| 86 | I | 95.8 | Very high | 94.2 | Very high | 18 Ų | 18 | 67.7 Ų | 67.7 | 9% | 0.092 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 176.5 | -64 | 175.2 | 0 | 0 | 0 | 110.5 | I75 V77 F82 T83 K88 L89 L90 L168 | I75-I86 HydrophobicContact CG2-CG1 4.25Å; I75-I86 HydrophobicContact CG2-CG2 4.41Å; V77-I86 HydrophobicContact CB-CD1 4.49Å; V77-I86 HydrophobicContact CG1-CD1 4.39Å; V77-I86 HydrophobicContact CG2-CD1 4.18Å; V77-I86 HydrophobicContact CG2-CG2 4.22Å; F82-I86 HydrophobicContact CD1-CG2 3.96Å; T83-I86 HydrophobicContact CG2-CD1 4.43Å; T83-I86 PolarHBondContact O-N 2.93Å; T83-I86 VanDerWaalsContact O-N 3.08Å; T83-I86 PolarHBondContact OG1-N 3.05Å; I86-K88 VanDerWaalsContact C-N 3.32Å; I86-K88 PolarHBondContact O-N 2.87Å; I86-L89 PolarHBondContact O-N 3.14Å; I86-L90 PolarHBondContact O-N 2.99Å; I86-L168 HydrophobicContact CG2-CD1 4.03Å |
| 87 | I | 96.1 | Very high | 94.3 | Very high | 11 Ų | 11 | 65.1 Ų | 65.1 | 6% | 0.056 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 175 | -65.5 | -47.8 | 0 | 0 | 0 | 111.2 | F82 T83 K84 L90 I91 T119 T125 V157 | F82-I87 HydrophobicContact CB-CD1 3.78Å; F82-I87 HydrophobicContact CB-CG1 4.32Å; F82-I87 HydrophobicContact CD1-CD1 4.1Å; F82-I87 HydrophobicContact CG-CD1 4.36Å; T83-I87 WeakPolarHBondContact O-CG1 3.43Å; T83-I87 PolarHBondContact O-N 2.8Å; K84-I87 PolarHBondContact O-N 2.97Å; I87-L90 HydrophobicContact CD1-CD1 4.32Å; I87-L90 PolarHBondContact O-N 2.82Å; I87-I91 HydrophobicContact CG2-CD1 3.89Å; I87-I91 HydrophobicContact CG2-CG1 4.45Å; I87-I91 WeakPolarHBondContact O-CG1 3.23Å; I87-I91 PolarHBondContact O-N 2.89Å; I87-T119 HydrophobicContact CG2-CG2 3.78Å; I87-T125 HydrophobicContact CD1-CG2 3.64Å; I87-T125 HydrophobicContact CG1-CG2 4.07Å; I87-T125 HydrophobicContact CG2-CG2 3.97Å; I87-V157 HydrophobicContact CD1-CG1 4.23Å |
| 88 | K | 96.3 | Very high | 94.4 | Very high | 116 Ų | 116 | 66.5 Ų | 66.5 | 50% | 0.504 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 174.9 | 176 | 164.3 | 172.4 | 41.3 | 0 | 111.7 | K84 E85 I86 L90 I91 D92 | K84-K88 WeakPolarHBondContact O-CB 3.41Å; K84-K88 PolarHBondContact O-N 3.27Å; E85-K88 PolarHBondContact O-N 2.84Å; I86-K88 VanDerWaalsContact C-N 3.32Å; I86-K88 PolarHBondContact O-N 2.87Å; K88-L90 VanDerWaalsContact C-N 3.29Å; K88-L90 PolarHBondContact O-N 3Å; K88-I91 PolarHBondContact O-N 2.74Å; K88-D92 WeakPolarHBondContact CG-OD2 3.23Å; K88-D92 IonicContact NZ-OD1 2.85Å; K88-D92 PolarHBondContact NZ-OD1 3.49Å; K88-D92 IonicContact NZ-OD2 2.75Å; K88-D92 PolarHBondContact NZ-OD2 3.28Å; K88-D92 WeakPolarHBondContact O-CB 3.45Å; K88-D92 PolarHBondContact O-N 2.86Å |
| 89 | L | 97.4 | Very high | 94.7 | Very high | 62 Ų | 62 | 61.6 Ų | 61.6 | 33% | 0.325 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.9 | -38.7 | 176.7 | -72 | 171.6 | 0 | 0 | 0 | 112.3 | I75 E85 I86 H93 | I75-L89 HydrophobicContact CD1-CB 3.95Å; I75-L89 HydrophobicContact CD1-CD1 3.74Å; I75-L89 HydrophobicContact CD1-CG 4.43Å; E85-L89 WeakPolarHBondContact O-CG 3.36Å; E85-L89 PolarHBondContact O-N 3.25Å; I86-L89 PolarHBondContact O-N 3.14Å; L89-H93 VanDerWaalsContact O-CB 3.25Å; L89-H93 WeakPolarHBondContact O-CB 3.27Å; L89-H93 PolarHBondContact O-N 2.87Å |
| 90 | L | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 174.3 | -73.7 | 171.1 | 0 | 0 | 0 | 112.1 | F82 I86 I87 K88 H93 F94 V101 L127 L168 L170 | F82-L90 HydrophobicContact CD1-CD1 4.28Å; F82-L90 HydrophobicContact CE1-CD1 4.32Å; I86-L90 PolarHBondContact O-N 2.99Å; I87-L90 HydrophobicContact CD1-CD1 4.32Å; I87-L90 PolarHBondContact O-N 2.82Å; K88-L90 VanDerWaalsContact C-N 3.29Å; K88-L90 PolarHBondContact O-N 3Å; L90-H93 PolarHBondContact O-N 2.8Å; L90-F94 HydrophobicContact CD2-CE2 4.45Å; L90-F94 WeakPolarHBondContact O-CD2 3.5Å; L90-F94 PolarHBondContact O-N 3.19Å; L90-V101 HydrophobicContact CD2-CG1 4.18Å; L90-V101 HydrophobicContact CD2-CG2 4.2Å; L90-L127 HydrophobicContact CD1-CD2 4.11Å; L90-L168 HydrophobicContact CD1-CD1 4.41Å; L90-L168 HydrophobicContact CD2-CD1 4.29Å; L90-L170 HydrophobicContact CD2-CD2 4.45Å |
| 91 | I | 97.5 | Very high | 95.9 | Very high | 43 Ų | 43 | 54.7 Ų | 54.7 | 22% | 0.221 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.9 | -51.6 | 176.4 | -69.4 | 166 | 0 | 0 | 0 | 110.1 | I87 K88 H93 F94 Q95 V117 T119 | I87-I91 HydrophobicContact CG2-CD1 3.89Å; I87-I91 HydrophobicContact CG2-CG1 4.45Å; I87-I91 WeakPolarHBondContact O-CG1 3.23Å; I87-I91 PolarHBondContact O-N 2.89Å; K88-I91 PolarHBondContact O-N 2.74Å; I91-H93 VanDerWaalsContact C-N 3.27Å; I91-H93 PolarHBondContact O-N 3.36Å; I91-F94 PolarHBondContact O-N 2.95Å; I91-Q95 HydrophobicContact CG2-CG 4.4Å; I91-Q95 WeakPolarHBondContact O-CB 3.47Å; I91-Q95 VanDerWaalsContact O-CG 3.32Å; I91-Q95 WeakPolarHBondContact O-CG 3.22Å; I91-Q95 PolarHBondContact O-N 3.33Å; I91-V117 HydrophobicContact CB-CG1 4.41Å; I91-V117 HydrophobicContact CG1-CG1 3.6Å; I91-V117 HydrophobicContact CG1-CG2 4.4Å; I91-T119 HydrophobicContact CD1-CG2 4.01Å |
| 92 | D | 97.8 | Very high | 96.1 | Very high | 59 Ų | 59 | 50 Ų | 50 | 32% | 0.316 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.2 | -39.7 | -178.9 | -64.5 | -13.9 | 0 | 0 | 0 | 110.6 | K88 Q95 A96 | K88-D92 WeakPolarHBondContact CG-OD2 3.23Å; K88-D92 IonicContact NZ-OD1 2.85Å; K88-D92 PolarHBondContact NZ-OD1 3.49Å; K88-D92 IonicContact NZ-OD2 2.75Å; K88-D92 PolarHBondContact NZ-OD2 3.28Å; K88-D92 WeakPolarHBondContact O-CB 3.45Å; K88-D92 PolarHBondContact O-N 2.86Å; D92-Q95 PolarHBondContact O-N 2.9Å; D92-A96 VanDerWaalsContact O-CB 3.27Å; D92-A96 WeakPolarHBondContact O-CB 3.22Å; D92-A96 PolarHBondContact O-N 3.26Å |
| 93 | H | 98.3 | Very high | 96.2 | Very high | 10 Ų | 10 | 49.3 Ų | 49.3 | 5% | 0.046 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.3 | -50.3 | 174.1 | 173.6 | 96.3 | 0 | 0 | 0 | 112.8 | L89 L90 I91 Q95 A96 Q97 G98 S99 V101 L170 P171 | L89-H93 VanDerWaalsContact O-CB 3.25Å; L89-H93 WeakPolarHBondContact O-CB 3.27Å; L89-H93 PolarHBondContact O-N 2.87Å; L90-H93 PolarHBondContact O-N 2.8Å; I91-H93 VanDerWaalsContact C-N 3.27Å; I91-H93 PolarHBondContact O-N 3.36Å; H93-Q95 PolarHBondContact O-N 2.69Å; H93-A96 PolarHBondContact O-N 3.2Å; H93-Q97 WeakPolarHBondContact O-CA 3.42Å; H93-Q97 WeakPolarHBondContact O-CB 3.46Å; H93-Q97 PolarHBondContact O-N 3.06Å; H93-G98 PolarHBondContact O-N 2.89Å; H93-G98 VanDerWaalsContact O-N 3.12Å; H93-S99 PolarHBondContact CE1-OG 3.31Å; H93-S99 PolarHBondContact NE2-O 3.25Å; H93-S99 PolarHBondContact NE2-OG 2.81Å; H93-V101 WeakPolarHBondContact NE2-CG2 3.34Å; H93-L170 HydrophobicContact CB-CD2 3.91Å; H93-P171 PolarHBondContact CE1-O 2.68Å |
| 94 | F | 97.6 | Very high | 96 | Very high | 37 Ų | 37 | 47.4 Ų | 47.4 | 16% | 0.162 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.9 | -26.6 | 179.9 | -73.9 | -59.7 | 0 | 0 | 0 | 112.5 | L90 I91 G98 S99 V101 I114 V117 | L90-F94 HydrophobicContact CD2-CE2 4.45Å; L90-F94 WeakPolarHBondContact O-CD2 3.5Å; L90-F94 PolarHBondContact O-N 3.19Å; I91-F94 PolarHBondContact O-N 2.95Å; F94-G98 WeakPolarHBondContact O-CA 3.45Å; F94-G98 PolarHBondContact O-N 3.41Å; F94-S99 WeakPolarHBondContact CE1-O 3.43Å; F94-V101 HydrophobicContact CE1-CG2 4.26Å; F94-V101 HydrophobicContact CZ-CB 4.43Å; F94-V101 HydrophobicContact CZ-CG2 3.89Å; F94-I114 HydrophobicContact CE2-CG2 4.09Å; F94-I114 HydrophobicContact CZ-CB 4.48Å; F94-I114 HydrophobicContact CZ-CG2 3.84Å; F94-V117 HydrophobicContact CD2-CB 4.24Å; F94-V117 HydrophobicContact CD2-CG1 3.72Å; F94-V117 HydrophobicContact CE2-CB 4.3Å; F94-V117 HydrophobicContact CE2-CG1 4.28Å |
| 95 | Q | 96.9 | Very high | 95.5 | Very high | 152 Ų | 152 | 39.3 Ų | 39.3 | 71% | 0.71 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -77.5 | -42.5 | 174.8 | -72.4 | 176.8 | -22.1 | 0 | 0 | 112.9 | I91 D92 H93 | I91-Q95 HydrophobicContact CG2-CG 4.4Å; I91-Q95 WeakPolarHBondContact O-CB 3.47Å; I91-Q95 VanDerWaalsContact O-CG 3.32Å; I91-Q95 WeakPolarHBondContact O-CG 3.22Å; I91-Q95 PolarHBondContact O-N 3.33Å; D92-Q95 PolarHBondContact O-N 2.9Å; H93-Q95 PolarHBondContact O-N 2.69Å |
| 96 | A | 96 | Very high | 94.5 | Very high | 76 Ų | 76 | 40.9 Ų | 40.9 | 63% | 0.628 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -84 | -43.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.9 | D92 H93 | D92-A96 VanDerWaalsContact O-CB 3.27Å; D92-A96 WeakPolarHBondContact O-CB 3.22Å; D92-A96 PolarHBondContact O-N 3.26Å; H93-A96 PolarHBondContact O-N 3.2Å |
| 97 | Q | 95.4 | Very high | 93.2 | Very high | 56 Ų | 56 | 42.8 Ų | 42.8 | 26% | 0.262 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -44.3 | -173.4 | -52.3 | -57.2 | -11.3 | 0 | 0 | 112.4 | W17 H93 S99 L172 | W17-Q97 WeakPolarHBondContact CH2-O 3.37Å; W17-Q97 VanDerWaalsContact CZ2-O 3.3Å; W17-Q97 WeakPolarHBondContact CZ2-O 3.31Å; H93-Q97 WeakPolarHBondContact O-CA 3.42Å; H93-Q97 WeakPolarHBondContact O-CB 3.46Å; H93-Q97 PolarHBondContact O-N 3.06Å; Q97-S99 PolarHBondContact O-N 3.06Å; Q97-L172 PolarHBondContact NE2-OXT 3.06Å; Q97-L172 PolarHBondContact OE1-OXT 3.43Å |
| 98 | G | 95.1 | Very high | 91.6 | Very high | 29 Ų | 29 | 44.3 Ų | 44.3 | 30% | 0.299 | 23% | 0.232 | S | C | . | . | trans | 70.3 | 2.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | W17 H93 F94 | W17-G98 VanDerWaalsContact CZ2-C 3.46Å; W17-G98 PolarHBondContact NE1-O 2.81Å; H93-G98 PolarHBondContact O-N 2.89Å; H93-G98 VanDerWaalsContact O-N 3.12Å; F94-G98 WeakPolarHBondContact O-CA 3.45Å; F94-G98 PolarHBondContact O-N 3.41Å | ||
| 99 | S | 96.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -71.5 | 147 | 178.1 | 64.6 | 0 | 0 | 0 | 0 | 111.1 | H93 F94 Q97 P171 | H93-S99 PolarHBondContact CE1-OG 3.31Å; H93-S99 PolarHBondContact NE2-O 3.25Å; H93-S99 PolarHBondContact NE2-OG 2.81Å; F94-S99 WeakPolarHBondContact CE1-O 3.43Å; Q97-S99 PolarHBondContact O-N 3.06Å; S99-P171 PolarHBondContact OG-O 3.38Å; S99-P171 VanDerWaalsContact OG-O 3.12Å | ||
| 100 | P | 97.3 | Very high | 88.7 | Confident | 11 Ų | 11 | 39.9 Ų | 39.9 | 7% | 0.071 | 22% | 0.221 | C | C | . | . | trans | -59 | 146.6 | 170 | -22.3 | 32.8 | 0 | 0 | 0 | 111.6 | I14 W17 I114 V115 P171 | I14-P100 HydrophobicContact CG1-CB 3.99Å; W17-P100 HydrophobicContact CB-CG 4.08Å; W17-P100 VanDerWaalsContact CG-CD 3.43Å; W17-P100 HydrophobicContact CG-CG 4.16Å; P100-I114 WeakPolarHBondContact CA-O 3.46Å; P100-V115 HydrophobicContact CB-CG1 4.17Å; P100-V115 HydrophobicContact CG-CG1 4.39Å; P100-P171 WeakPolarHBondContact O-CD 3.45Å | ||
| 101 | V | 97.3 | Very high | 88 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 135.1 | 177.5 | 175.7 | 0 | 0 | 0 | 0 | 108.7 | L90 H93 F94 G113 I114 L168 C169 L170 | L90-V101 HydrophobicContact CD2-CG1 4.18Å; L90-V101 HydrophobicContact CD2-CG2 4.2Å; H93-V101 WeakPolarHBondContact NE2-CG2 3.34Å; F94-V101 HydrophobicContact CE1-CG2 4.26Å; F94-V101 HydrophobicContact CZ-CB 4.43Å; F94-V101 HydrophobicContact CZ-CG2 3.89Å; V101-G113 CarbonylContact O-C 3.59Å; V101-I114 HydrophobicContact CB-CB 4.26Å; V101-I114 PolarHBondContact N-O 3.16Å; V101-I114 PolarHBondContact O-N 3.12Å; V101-L168 HydrophobicContact CG1-CB 4.13Å; V101-L168 HydrophobicContact CG1-CD2 3.99Å; V101-C169 WeakPolarHBondContact CG1-O 3.13Å; V101-L170 HydrophobicContact CG1-CD1 3.84Å; V101-L170 HydrophobicContact CG1-CG 3.91Å; V101-L170 HydrophobicContact CG2-CG 3.94Å |
| 102 | M | 95.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 131.9 | 172.9 | 179.4 | -179.4 | -63.5 | 0 | 0 | 110 | M7 T10 L11 I14 T57 C60 L168 C169 | M7-M102 HydrophobicContact SD-CG 4.09Å; M7-M102 HydrophobicContact SD-SD 3.64Å; M7-M102 VanDerWaalsContact SD-SD 3.64Å; T10-M102 HydrophobicContact CG2-CB 3.98Å; T10-M102 HydrophobicContact CG2-CE 3.94Å; T10-M102 HydrophobicContact CG2-CG 3.84Å; L11-M102 HydrophobicContact CB-CE 3.9Å; I14-M102 HydrophobicContact CD1-CB 3.92Å; I14-M102 HydrophobicContact CD1-CE 4.25Å; T57-M102 HydrophobicContact CG2-CG 4.12Å; T57-M102 HydrophobicContact CG2-SD 4Å; C60-M102 HydrophobicContact CB-CE 3.46Å; C60-M102 VanDerWaalsContact CB-CE 3.46Å; C60-M102 HydrophobicContact CB-SD 3.65Å; C60-M102 VanDerWaalsContact SG-CE 3.55Å; C60-M102 VanDerWaalsContact SG-SD 3.69Å; M102-L168 CarbonylContact O-C 3.49Å; M102-L168 VanDerWaalsContact O-CA 3.22Å; M102-L168 WeakPolarHBondContact O-CA 3.37Å; M102-C169 HydrophobicContact CB-CB 4.16Å; M102-C169 PolarHBondContact N-O 3.4Å; M102-C169 PolarHBondContact O-N 3.21Å |
| 103 | L | 93.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 116.5 | 168.8 | -179.6 | 75.9 | 0 | 0 | 0 | 108.3 | F82 S111 K112 I114 L160 Y166 L168 | F82-L103 HydrophobicContact CZ-CD1 4.03Å; L103-S111 WeakPolarHBondContact O-CA 3.44Å; L103-K112 HydrophobicContact CB-CB 4.37Å; L103-K112 WeakPolarHBondContact CB-O 3.25Å; L103-K112 HydrophobicContact CD2-CB 4.29Å; L103-K112 PolarHBondContact N-O 2.91Å; L103-K112 PolarHBondContact O-N 2.95Å; L103-I114 HydrophobicContact CB-CD1 3.96Å; L103-I114 HydrophobicContact CB-CG1 4.22Å; L103-I114 HydrophobicContact CD1-CD1 4.39Å; L103-L160 HydrophobicContact CD2-CD1 4.32Å; L103-L160 HydrophobicContact CD2-CD2 4.41Å; L103-Y166 HydrophobicContact CD1-CD1 3.87Å; L103-Y166 HydrophobicContact CD1-CG 3.87Å; L103-Y166 HydrophobicContact CD2-CD1 4.21Å; L103-Y166 HydrophobicContact CG-CD1 3.97Å; L103-Y166 HydrophobicContact CG-CG 4.48Å; L103-L168 HydrophobicContact CB-CD2 4.19Å; L103-L168 HydrophobicContact CD1-CD2 3.39Å; L103-L168 HydrophobicContact CD1-CG 4.22Å; L103-L168 HydrophobicContact CG-CD2 4.41Å |
| 104 | G | 90.3 | Very high | 87.4 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y166 N167 | G104-Y166 CarbonylContact O-C 3.45Å; G104-Y166 VanDerWaalsContact O-CA 3.23Å; G104-Y166 WeakPolarHBondContact O-CA 3.5Å; G104-N167 PolarHBondContact N-O 2.91Å; G104-N167 PolarHBondContact O-N 2.85Å |
| 105 | G | 82.2 | Confident | 87.3 | Confident | 10 Ų | 10 | 36.9 Ų | 36.9 | 10% | 0.103 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | -161.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D107 S110 F165 | G105-D107 VanDerWaalsContact C-N 3.3Å; G105-S110 VanDerWaalsContact CA-CB 3.49Å; G105-F165 WeakPolarHBondContact CA-O 3.41Å |
| 106 | Y | 74.4 | Confident | 87.3 | Confident | 162 Ų | 162 | 30.9 Ų | 30.9 | 64% | 0.635 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -67.9 | -27.9 | 177.2 | -177.7 | -101 | 0 | 0 | 0 | 113.2 | H164 F165 | Y106-H164 AromaticContact CD1-ND1 3.89Å; Y106-H164 AromaticContact CG-ND1 3.97Å; Y106-F165 HydrophobicContact CD2-CE1 4.02Å; Y106-F165 HydrophobicContact CD2-CZ 4.39Å |
| 107 | D | 69.4 | Low | 87.4 | Confident | 58 Ų | 58 | 28.7 Ų | 28.7 | 31% | 0.31 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -130.5 | 173.5 | -177.6 | 70.3 | 25.3 | 0 | 0 | 0 | 114 | G105 S109 S110 | G105-D107 VanDerWaalsContact C-N 3.3Å; D107-S109 VanDerWaalsContact C-N 3.34Å; D107-S109 PolarHBondContact O-N 2.95Å; D107-S109 PolarHBondContact OD1-N 2.76Å; D107-S109 VanDerWaalsContact OD1-N 3.15Å; D107-S109 PolarHBondContact OD1-OG 3.39Å; D107-S109 PolarHBondContact OD2-OG 2.83Å; D107-S110 WeakPolarHBondContact O-CB 3.41Å; D107-S110 PolarHBondContact O-N 3.15Å; D107-S110 PolarHBondContact O-OG 3.09Å; D107-S110 PolarHBondContact OD1-N 3.21Å; D107-S110 VanDerWaalsContact OD1-N 3.13Å; D107-S110 PolarHBondContact OD1-OG 2.85Å |
| 108 | D | 61.4 | Low | 87.4 | Confident | 43 Ų | 43 | 30.3 Ų | 30.3 | 23% | 0.23 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -57.6 | -42.3 | 179.8 | -72.6 | -32.3 | 0 | 0 | 0 | 114.3 | L3 L6 S110 S111 | L3-D108 WeakPolarHBondContact CA-OD1 3.43Å; L3-D108 WeakPolarHBondContact CB-OD1 3.48Å; L3-D108 VanDerWaalsContact CD2-CG 3.4Å; L3-D108 WeakPolarHBondContact CD2-OD1 3.44Å; L3-D108 WeakPolarHBondContact CD2-OD2 3.34Å; L3-D108 VanDerWaalsContact CG-CG 3.43Å; L3-D108 WeakPolarHBondContact CG-OD1 3.41Å; L3-D108 WeakPolarHBondContact CG-OD2 3.3Å; L6-D108 HydrophobicContact CD1-CB 4Å; D108-S110 PolarHBondContact O-N 2.86Å; D108-S110 VanDerWaalsContact O-N 3.08Å; D108-S111 PolarHBondContact O-N 3.31Å |
| 109 | S | 61.1 | Low | 87.4 | Confident | 75 Ų | 75 | 32.1 Ų | 32.1 | 52% | 0.524 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -62.7 | -23.1 | -174.1 | 77.7 | 0 | 0 | 0 | 0 | 111.3 | D107 K112 | D107-S109 VanDerWaalsContact C-N 3.34Å; D107-S109 PolarHBondContact O-N 2.95Å; D107-S109 PolarHBondContact OD1-N 2.76Å; D107-S109 VanDerWaalsContact OD1-N 3.15Å; D107-S109 PolarHBondContact OD1-OG 3.39Å; D107-S109 PolarHBondContact OD2-OG 2.83Å; S109-K112 PolarHBondContact O-NZ 3.04Å |
| 110 | S | 71.6 | Confident | 87.1 | Confident | 11 Ų | 11 | 36.5 Ų | 36.5 | 8% | 0.077 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -76.2 | -17.5 | -180 | -53 | 0 | 0 | 0 | 0 | 114 | G105 D107 D108 K112 | G105-S110 VanDerWaalsContact CA-CB 3.49Å; D107-S110 WeakPolarHBondContact O-CB 3.41Å; D107-S110 PolarHBondContact O-N 3.15Å; D107-S110 PolarHBondContact O-OG 3.09Å; D107-S110 PolarHBondContact OD1-N 3.21Å; D107-S110 VanDerWaalsContact OD1-N 3.13Å; D107-S110 PolarHBondContact OD1-OG 2.85Å; D108-S110 PolarHBondContact O-N 2.86Å; D108-S110 VanDerWaalsContact O-N 3.08Å; S110-K112 PolarHBondContact O-N 2.85Å |
| 111 | S | 82.7 | Confident | 86.8 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | trans | -66.6 | 118.8 | -179.7 | -169.5 | 0 | 0 | 0 | 0 | 111.4 | M7 L103 D108 P132 | M7-S111 WeakPolarHBondContact CE-OG 3.45Å; M7-S111 PolarHBondContact SD-OG 3.44Å; L103-S111 WeakPolarHBondContact O-CA 3.44Å; D108-S111 PolarHBondContact O-N 3.31Å; S111-P132 VanDerWaalsContact O-CD 3.29Å; S111-P132 WeakPolarHBondContact O-CD 3.49Å | ||
| 112 | K | 90.5 | Very high | 86.4 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 13% | 0.13 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 148 | 175.4 | -58.8 | -68.7 | 170.6 | -94.1 | 0 | 110.5 | L103 S109 S110 D131 | L103-K112 HydrophobicContact CB-CB 4.37Å; L103-K112 WeakPolarHBondContact CB-O 3.25Å; L103-K112 HydrophobicContact CD2-CB 4.29Å; L103-K112 PolarHBondContact N-O 2.91Å; L103-K112 PolarHBondContact O-N 2.95Å; S109-K112 PolarHBondContact O-NZ 3.04Å; S110-K112 PolarHBondContact O-N 2.85Å; K112-D131 HydrophobicContact CD-CB 3.94Å; K112-D131 WeakPolarHBondContact CE-OD2 3.12Å; K112-D131 IonicContact NZ-OD1 3.69Å; K112-D131 IonicContact NZ-OD2 2.69Å; K112-D131 PolarHBondContact NZ-OD2 2.87Å |
| 113 | G | 94.2 | Very high | 86.2 | Confident | 4 Ų | 4 | 56 Ų | 56 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 137.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | V101 T129 C130 | V101-G113 CarbonylContact O-C 3.59Å; G113-T129 CarbonylContact O-C 3.6Å; G113-T129 VanDerWaalsContact O-CA 3.25Å; G113-T129 WeakPolarHBondContact O-CA 3.17Å; G113-C130 PolarHBondContact N-O 2.82Å; G113-C130 PolarHBondContact O-N 2.77Å |
| 114 | I | 96.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 121.8 | 167.9 | -57.1 | 166.2 | 0 | 0 | 0 | 106.8 | F94 P100 V101 L103 L127 L128 L168 | F94-I114 HydrophobicContact CE2-CG2 4.09Å; F94-I114 HydrophobicContact CZ-CB 4.48Å; F94-I114 HydrophobicContact CZ-CG2 3.84Å; P100-I114 WeakPolarHBondContact CA-O 3.46Å; V101-I114 HydrophobicContact CB-CB 4.26Å; V101-I114 PolarHBondContact N-O 3.16Å; V101-I114 PolarHBondContact O-N 3.12Å; L103-I114 HydrophobicContact CB-CD1 3.96Å; L103-I114 HydrophobicContact CB-CG1 4.22Å; L103-I114 HydrophobicContact CD1-CD1 4.39Å; I114-L127 HydrophobicContact CD1-CD1 3.97Å; I114-L127 HydrophobicContact CG2-CB 4.25Å; I114-L127 HydrophobicContact CG2-CD2 4.16Å; I114-L128 WeakPolarHBondContact CA-O 3.4Å; I114-L168 HydrophobicContact CD1-CD2 3.59Å |
| 115 | V | 96.6 | Very high | 86.3 | Confident | 51 Ų | 51 | 60 Ų | 60 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | -13.2 | -176.5 | -62.6 | 0 | 0 | 0 | 0 | 113.2 | P100 L128 L152 | P100-V115 HydrophobicContact CB-CG1 4.17Å; P100-V115 HydrophobicContact CG-CG1 4.39Å; V115-L128 HydrophobicContact CG2-CB 3.98Å; V115-L128 HydrophobicContact CG2-CD2 3.65Å; V115-L128 HydrophobicContact CG2-CG 3.53Å; V115-L128 PolarHBondContact N-O 3.12Å; V115-L152 HydrophobicContact CG2-CD1 4.04Å |
| 116 | A | 97.1 | Very high | 87 | Confident | 26 Ų | 26 | 61.6 Ų | 61.6 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 159.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L128 W154 | A116-L128 HydrophobicContact CB-CB 3.86Å; A116-L128 HydrophobicContact CB-CD2 4.17Å; A116-L128 PolarHBondContact O-N 2.74Å; A116-W154 HydrophobicContact CB-CH2 3.7Å; A116-W154 HydrophobicContact CB-CZ2 4.4Å; A116-W154 HydrophobicContact CB-CZ3 4.39Å |
| 117 | V | 97.4 | Very high | 88 | Confident | 30 Ų | 30 | 54 Ų | 54 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 141.8 | 170.3 | 62.6 | 0 | 0 | 0 | 0 | 109.2 | I91 F94 T119 T125 L127 | I91-V117 HydrophobicContact CB-CG1 4.41Å; I91-V117 HydrophobicContact CG1-CG1 3.6Å; I91-V117 HydrophobicContact CG1-CG2 4.4Å; F94-V117 HydrophobicContact CD2-CB 4.24Å; F94-V117 HydrophobicContact CD2-CG1 3.72Å; F94-V117 HydrophobicContact CE2-CB 4.3Å; F94-V117 HydrophobicContact CE2-CG1 4.28Å; V117-T119 HydrophobicContact CG2-CG2 4.47Å; V117-T125 HydrophobicContact CG2-CG2 3.81Å; V117-L127 HydrophobicContact CB-CD2 4.23Å; V117-L127 HydrophobicContact CG2-CD2 4Å |
| 118 | K | 95.5 | Very high | 89.3 | Confident | 89 Ų | 89 | 52.6 Ų | 52.6 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 125.8 | 176 | -166.4 | 178.9 | -156.5 | -170.9 | 0 | 109.7 | F120 M126 W154 | K118-F120 HydrophobicContact CD-CE2 3.55Å; K118-F120 HydrophobicContact CD-CZ 3.62Å; K118-F120 HydrophobicContact CG-CD2 4.36Å; K118-F120 HydrophobicContact CG-CE2 3.78Å; K118-F120 HydrophobicContact CG-CZ 4.03Å; K118-F120 VanDerWaalsContact NZ-CZ 3.31Å; K118-M126 HydrophobicContact CB-CB 4.43Å; K118-M126 PolarHBondContact N-O 3.17Å; K118-M126 PolarHBondContact O-N 3.05Å; K118-W154 HydrophobicContact CB-CE3 4.15Å; K118-W154 HydrophobicContact CB-CH2 3.71Å; K118-W154 HydrophobicContact CB-CZ3 3.47Å; K118-W154 VanDerWaalsContact CB-CZ3 3.47Å; K118-W154 HydrophobicContact CD-CH2 4.5Å |
| 119 | T | 95.3 | Very high | 90.9 | Very high | 68 Ų | 68 | 50.8 Ų | 50.8 | 42% | 0.417 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 147.1 | 175.3 | 55.2 | 0 | 0 | 0 | 0 | 109.2 | I87 I91 V117 T125 | I87-T119 HydrophobicContact CG2-CG2 3.78Å; I91-T119 HydrophobicContact CD1-CG2 4.01Å; V117-T119 HydrophobicContact CG2-CG2 4.47Å; T119-T125 HydrophobicContact CG2-CG2 3.81Å |
| 120 | F | 90.7 | Very high | 92.5 | Very high | 92 Ų | 92 | 49.1 Ų | 49.1 | 40% | 0.404 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 158.8 | 171 | -58.6 | -83.3 | 0 | 0 | 0 | 108.9 | K118 D122 Q123 | K118-F120 HydrophobicContact CD-CE2 3.55Å; K118-F120 HydrophobicContact CD-CZ 3.62Å; K118-F120 HydrophobicContact CG-CD2 4.36Å; K118-F120 HydrophobicContact CG-CE2 3.78Å; K118-F120 HydrophobicContact CG-CZ 4.03Å; K118-F120 VanDerWaalsContact NZ-CZ 3.31Å; F120-D122 PolarHBondContact O-N 3.38Å; F120-Q123 HydrophobicContact CB-CB 4.02Å; F120-Q123 HydrophobicContact CB-CG 4.05Å; F120-Q123 HydrophobicContact CD2-CB 4.39Å; F120-Q123 VanDerWaalsContact CD2-OE1 3.23Å |
| 121 | L | 90.9 | Very high | 93.4 | Very high | 151 Ų | 151 | 50.1 Ų | 50.1 | 79% | 0.791 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 133.7 | 168 | -168.5 | 67 | 0 | 0 | 0 | 108.9 | Q123 | L121-Q123 PolarHBondContact O-N 3.38Š|
| 122 | D | 88.8 | Confident | 93.7 | Very high | 158 Ų | 158 | 50.7 Ų | 50.7 | 85% | 0.845 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 18.2 | 176.4 | -51.3 | -39.8 | 0 | 0 | 0 | 116.6 | F120 | F120-D122 PolarHBondContact O-N 3.38Š|
| 123 | Q | 91 | Very high | 93.5 | Very high | 111 Ų | 111 | 52 Ų | 52 | 52% | 0.519 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 151.4 | 172.4 | -52 | -174 | -1.2 | 0 | 0 | 111.8 | F120 L121 T125 | F120-Q123 HydrophobicContact CB-CB 4.02Å; F120-Q123 HydrophobicContact CB-CG 4.05Å; F120-Q123 HydrophobicContact CD2-CB 4.39Å; F120-Q123 VanDerWaalsContact CD2-OE1 3.23Å; L121-Q123 PolarHBondContact O-N 3.38Å; Q123-T125 PolarHBondContact O-N 2.75Å |
| 124 | P | 90.1 | Very high | 93.1 | Very high | 64 Ų | 64 | 53.7 Ų | 53.7 | 42% | 0.416 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 138.5 | 173.3 | -22.4 | 33.1 | 0 | 0 | 0 | 111.7 | K156 | P124-K156 HydrophobicContact CB-CD 4.46Å; P124-K156 HydrophobicContact CB-CG 4.4Å |
| 125 | T | 95.4 | Very high | 92.6 | Very high | 27 Ų | 27 | 61.2 Ų | 61.2 | 17% | 0.166 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 139.4 | 171 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | I87 V117 T119 Q123 V157 | I87-T125 HydrophobicContact CD1-CG2 3.64Å; I87-T125 HydrophobicContact CG1-CG2 4.07Å; I87-T125 HydrophobicContact CG2-CG2 3.97Å; V117-T125 HydrophobicContact CG2-CG2 3.81Å; T119-T125 HydrophobicContact CG2-CG2 3.81Å; Q123-T125 PolarHBondContact O-N 2.75Å; T125-V157 HydrophobicContact CG2-CG1 4.14Å; T125-V157 PolarHBondContact O-N 2.96Å |
| 126 | M | 96.4 | Very high | 92 | Very high | 43 Ų | 43 | 62.8 Ų | 62.8 | 21% | 0.212 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 143.9 | 176.7 | -55.3 | -172.4 | 80.8 | 0 | 0 | 111.2 | K118 W154 C155 K156 | K118-M126 HydrophobicContact CB-CB 4.43Å; K118-M126 PolarHBondContact N-O 3.17Å; K118-M126 PolarHBondContact O-N 3.05Å; M126-W154 HydrophobicContact CB-CE3 3.86Å; M126-W154 HydrophobicContact CB-CZ3 4.46Å; M126-W154 HydrophobicContact CE-CB 3.64Å; M126-C155 CarbonylContact C-O 3.56Å; M126-C155 VanDerWaalsContact CA-O 3.28Å; M126-C155 WeakPolarHBondContact CA-O 3.07Å; M126-K156 HydrophobicContact CE-CG 4.28Å; M126-K156 HydrophobicContact CG-CG 4.39Å |
| 127 | L | 96.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 134.4 | 173 | -58.5 | 176.9 | 0 | 0 | 0 | 108.7 | F82 L90 I114 V117 T129 W154 C155 V157 L160 | F82-L127 HydrophobicContact CD1-CD1 4.43Å; F82-L127 HydrophobicContact CE1-CD1 3.94Å; F82-L127 HydrophobicContact CZ-CD1 4.13Å; L90-L127 HydrophobicContact CD1-CD2 4.11Å; I114-L127 HydrophobicContact CD1-CD1 3.97Å; I114-L127 HydrophobicContact CG2-CB 4.25Å; I114-L127 HydrophobicContact CG2-CD2 4.16Å; V117-L127 HydrophobicContact CB-CD2 4.23Å; V117-L127 HydrophobicContact CG2-CD2 4Å; L127-T129 HydrophobicContact CB-CG2 4.22Å; L127-T129 PolarHBondContact O-N 3.45Å; L127-W154 CarbonylContact O-C 3.54Å; L127-W154 WeakPolarHBondContact O-CA 3.28Å; L127-C155 PolarHBondContact N-O 2.84Å; L127-C155 PolarHBondContact O-N 2.96Å; L127-V157 HydrophobicContact CD1-CG1 3.93Å; L127-V157 HydrophobicContact CD2-CG1 4.42Å; L127-V157 HydrophobicContact CG-CG1 3.83Å; L127-L160 HydrophobicContact CD1-CD1 4.18Å |
| 128 | L | 96.9 | Very high | 90.6 | Very high | 29 Ų | 29 | 74.2 Ų | 74.2 | 15% | 0.152 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 106.2 | 168.1 | -176.5 | 55.2 | 0 | 0 | 0 | 107.7 | I114 V115 A116 L152 R153 W154 | I114-L128 WeakPolarHBondContact CA-O 3.4Å; V115-L128 HydrophobicContact CG2-CB 3.98Å; V115-L128 HydrophobicContact CG2-CD2 3.65Å; V115-L128 HydrophobicContact CG2-CG 3.53Å; V115-L128 PolarHBondContact N-O 3.12Å; A116-L128 HydrophobicContact CB-CB 3.86Å; A116-L128 HydrophobicContact CB-CD2 4.17Å; A116-L128 PolarHBondContact O-N 2.74Å; L128-L152 HydrophobicContact CD1-CD1 3.88Å; L128-L152 HydrophobicContact CD1-CG 4.04Å; L128-L152 HydrophobicContact CD2-CD1 4.34Å; L128-L152 HydrophobicContact CG-CD1 3.9Å; L128-R153 CarbonylContact C-O 3.58Å; L128-R153 WeakPolarHBondContact CA-O 3.35Å; L128-R153 VanDerWaalsContact CD1-C 3.46Å; L128-R153 WeakPolarHBondContact CD1-O 3.46Å; L128-W154 HydrophobicContact CB-CD2 3.97Å; L128-W154 HydrophobicContact CB-CE3 3.79Å; L128-W154 HydrophobicContact CB-CH2 3.76Å; L128-W154 HydrophobicContact CB-CZ2 3.93Å; L128-W154 HydrophobicContact CB-CZ3 3.68Å; L128-W154 HydrophobicContact CD1-CD2 4.12Å; L128-W154 HydrophobicContact CD1-CG 4.19Å; L128-W154 HydrophobicContact CD2-CZ2 4.01Å; L128-W154 HydrophobicContact CG-CZ2 4.4Å |
| 129 | T | 94.7 | Very high | 90.1 | Very high | 6 Ų | 6 | 73.1 Ų | 73.1 | 4% | 0.037 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 139 | -177.8 | 60.4 | 0 | 0 | 0 | 0 | 111.2 | G113 L127 L152 R153 C155 | G113-T129 CarbonylContact O-C 3.6Å; G113-T129 VanDerWaalsContact O-CA 3.25Å; G113-T129 WeakPolarHBondContact O-CA 3.17Å; L127-T129 HydrophobicContact CB-CG2 4.22Å; L127-T129 PolarHBondContact O-N 3.45Å; T129-L152 WeakPolarHBondContact O-CA 3.44Å; T129-R153 PolarHBondContact N-O 3.22Å; T129-R153 PolarHBondContact O-N 3.47Å; T129-R153 PolarHBondContact OG1-O 2.9Å; T129-C155 HydrophobicContact CG2-CB 4.35Å |
| 130 | C | 93.9 | Very high | 89.6 | Confident | 40 Ų | 40 | 75.4 Ų | 75.4 | 27% | 0.27 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120.8 | 169.8 | -175.4 | 0 | 0 | 0 | 0 | 107.9 | G113 W151 L152 | G113-C130 PolarHBondContact N-O 2.82Å; G113-C130 PolarHBondContact O-N 2.77Å; C130-W151 CarbonylContact C-O 3.51Å; C130-W151 WeakPolarHBondContact CA-O 3.46Å; C130-L152 HydrophobicContact CB-CD1 4.25Å |
| 131 | D | 91 | Very high | 89.5 | Confident | 32 Ų | 32 | 73.1 Ų | 73.1 | 17% | 0.171 | 40% | 0.399 | C | S | . | . | trans | -91.9 | 117.7 | -177.3 | -169 | -32.9 | 0 | 0 | 0 | 111.4 | K112 H133 Y134 W151 | K112-D131 HydrophobicContact CD-CB 3.94Å; K112-D131 WeakPolarHBondContact CE-OD2 3.12Å; K112-D131 IonicContact NZ-OD1 3.69Å; K112-D131 IonicContact NZ-OD2 2.69Å; K112-D131 PolarHBondContact NZ-OD2 2.87Å; D131-H133 PolarHBondContact O-N 3.32Å; D131-H133 VanDerWaalsContact O-N 3.17Å; D131-H133 WeakPolarHBondContact OD1-CB 3.43Å; D131-H133 IonicContact OD1-CE1 3.92Å; D131-H133 IonicContact OD1-CG 2.67Å; D131-H133 PolarHBondContact OD1-N 2.96Å; D131-H133 IonicContact OD1-ND1 2.76Å; D131-H133 PolarHBondContact OD1-ND1 3.25Å; D131-H133 IonicContact OD2-ND1 2.73Å; D131-Y134 PolarHBondContact O-N 3.36Å; D131-W151 HydrophobicContact CB-CE3 3.98Å; D131-W151 HydrophobicContact CB-CZ3 4.47Å; D131-W151 PolarHBondContact N-O 3.25Å | ||
| 132 | P | 88.4 | Confident | 89.5 | Confident | 12 Ų | 12 | 70.2 Ų | 70.2 | 8% | 0.078 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -5.3 | -178.2 | 31 | -36.9 | 0 | 0 | 0 | 114 | L6 K9 S111 Y134 | L6-P132 HydrophobicContact CB-CG 4.08Å; L6-P132 HydrophobicContact CD2-CB 4.42Å; L6-P132 HydrophobicContact CD2-CG 4.3Å; L6-P132 WeakPolarHBondContact O-CB 3.44Å; K9-P132 HydrophobicContact CB-CB 3.76Å; K9-P132 HydrophobicContact CD-CB 4.33Å; K9-P132 WeakPolarHBondContact CD-O 3.4Å; K9-P132 PolarHBondContact NZ-O 3.33Å; S111-P132 VanDerWaalsContact O-CD 3.29Å; S111-P132 WeakPolarHBondContact O-CD 3.49Å; P132-Y134 PolarHBondContact O-N 3.08Å |
| 133 | H | 86.2 | Confident | 89.7 | Confident | 57 Ų | 57 | 68 Ų | 68 | 26% | 0.264 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -12.8 | 176.7 | -63.7 | 81.9 | 0 | 0 | 0 | 112.9 | L6 D131 F135 W151 | L6-H133 VanDerWaalsContact CD1-CE1 3.41Å; L6-H133 WeakPolarHBondContact CD1-CE1 3.49Å; L6-H133 WeakPolarHBondContact CD1-NE2 3.22Å; L6-H133 HydrophobicContact CD2-CB 4.21Å; L6-H133 WeakPolarHBondContact CD2-CD2 3.26Å; L6-H133 VanDerWaalsContact CD2-CG 3.47Å; D131-H133 PolarHBondContact O-N 3.32Å; D131-H133 VanDerWaalsContact O-N 3.17Å; D131-H133 WeakPolarHBondContact OD1-CB 3.43Å; D131-H133 IonicContact OD1-CE1 3.92Å; D131-H133 IonicContact OD1-CG 2.67Å; D131-H133 PolarHBondContact OD1-N 2.96Å; D131-H133 IonicContact OD1-ND1 2.76Å; D131-H133 PolarHBondContact OD1-ND1 3.25Å; D131-H133 IonicContact OD2-ND1 2.73Å; H133-F135 PolarHBondContact O-N 3.47Å; H133-W151 HydrophobicContact CB-CH2 4.44Å; H133-W151 HydrophobicContact CB-CZ3 3.86Å |
| 134 | Y | 86.5 | Confident | 89.9 | Confident | 40 Ų | 40 | 66.2 Ų | 66.2 | 16% | 0.157 | 38% | 0.379 | C | S | . | . | trans | -55.1 | 133.4 | 174.1 | -173 | -101.1 | 0 | 0 | 0 | 110.8 | K9 D131 P132 E136 P141 L146 W151 | K9-Y134 PolarHBondContact NZ-O 2.75Å; D131-Y134 PolarHBondContact O-N 3.36Å; P132-Y134 PolarHBondContact O-N 3.08Å; Y134-E136 HydrophobicContact CE1-CB 3.96Å; Y134-E136 PolarHBondContact OH-OE2 2.76Å; Y134-P141 HydrophobicContact CD1-CG 4.29Å; Y134-P141 HydrophobicContact CE1-CB 3.85Å; Y134-P141 HydrophobicContact CE1-CG 3.51Å; Y134-P141 WeakPolarHBondContact OH-CB 3.46Å; Y134-L146 HydrophobicContact CD1-CD2 4.11Å; Y134-L146 HydrophobicContact CD2-CD2 3.84Å; Y134-L146 HydrophobicContact CE1-CD2 4.11Å; Y134-L146 HydrophobicContact CE2-CD2 3.78Å; Y134-L146 HydrophobicContact CG-CD2 3.99Å; Y134-W151 HydrophobicContact CD2-CB 4.36Å; Y134-W151 AromaticContact CD2-CD1 3.37Å; Y134-W151 AromaticContact CD2-CD2 3.63Å; Y134-W151 HydrophobicContact CD2-CD2 3.63Å; Y134-W151 AromaticContact CD2-CE2 3.58Å; Y134-W151 HydrophobicContact CD2-CE3 4.39Å; Y134-W151 AromaticContact CD2-CG 3.55Å; Y134-W151 HydrophobicContact CD2-CG 3.55Å; Y134-W151 HydrophobicContact CD2-CZ2 4.3Å; Y134-W151 AromaticContact CD2-NE1 3.4Å; Y134-W151 AromaticContact CE2-CD1 3.74Å; Y134-W151 HydrophobicContact CE2-CG 4.33Å; Y134-W151 AromaticContact CE2-NE1 3.73Å; Y134-W151 HydrophobicContact CG-CD2 4.27Å; Y134-W151 HydrophobicContact CG-CG 4.23Å | ||
| 135 | F | 85.5 | Confident | 90 | Very high | 158 Ų | 158 | 65.9 Ų | 65.9 | 69% | 0.693 | 37% | 0.371 | S | S | * | . | trans | -148.2 | 143.4 | 168.5 | 78 | -86 | 0 | 0 | 0 | 108.7 | H133 | H133-F135 PolarHBondContact O-N 3.47Š| ||
| 136 | E | 83.8 | Confident | 90 | Very high | 85 Ų | 85 | 66 Ų | 66 | 40% | 0.397 | 37% | 0.371 | S | S | . | . | trans | -140.3 | 137.3 | 172.6 | -176.5 | 124.3 | -104.8 | 0 | 0 | 108.4 | Y134 H138 K145 | Y134-E136 HydrophobicContact CE1-CB 3.96Å; Y134-E136 PolarHBondContact OH-OE2 2.76Å; E136-H138 WeakPolarHBondContact CG-O 3.35Å; E136-K145 IonicContact OE1-NZ 3.36Å; E136-K145 PolarHBondContact OE1-NZ 3.11Å; E136-K145 IonicContact OE2-NZ 3.66Å; E136-K145 PolarHBondContact OE2-NZ 2.87Å | ||
| 137 | I | 82 | Confident | 89.9 | Confident | 138 Ų | 138 | 67 Ų | 67 | 71% | 0.708 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -80.7 | -31.9 | -179.3 | -57.1 | 175.1 | 0 | 0 | 0 | 110.4 | ||
| 138 | H | 83.9 | Confident | 89.9 | Confident | 158 Ų | 158 | 75.7 Ų | 75.7 | 73% | 0.731 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -124.5 | 110.5 | -171.6 | -60.1 | -55.6 | 0 | 0 | 0 | 112 | E136 | E136-H138 WeakPolarHBondContact CG-O 3.35Š|
| 139 | G | 84.6 | Confident | 89.7 | Confident | 66 Ų | 66 | 78.7 Ų | 78.7 | 68% | 0.68 | 43% | 0.432 | S | S | * | . | S | Bend | trans | 79.4 | -179.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 140 | S | 85.5 | Confident | 89.6 | Confident | 115 Ų | 115 | 85.7 Ų | 85.7 | 80% | 0.804 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -97.1 | 135.4 | 178.8 | -59.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 141 | P | 88 | Confident | 89.6 | Confident | 45 Ų | 45 | 87 Ų | 87 | 29% | 0.292 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 145.4 | 175.3 | 24.9 | -33.7 | 0 | 0 | 0 | 111.8 | Y134 L146 | Y134-P141 HydrophobicContact CD1-CG 4.29Å; Y134-P141 HydrophobicContact CE1-CB 3.85Å; Y134-P141 HydrophobicContact CE1-CG 3.51Å; Y134-P141 WeakPolarHBondContact OH-CB 3.46Å; P141-L146 HydrophobicContact CB-CD1 4.13Å; P141-L146 HydrophobicContact CB-CD2 3.66Å; P141-L146 HydrophobicContact CB-CG 3.77Å; P141-L146 HydrophobicContact CG-CD1 4.02Å; P141-L146 HydrophobicContact CG-CD2 3.93Å; P141-L146 HydrophobicContact CG-CG 4.16Å |
| 142 | T | 91.8 | Very high | 89.8 | Confident | 90 Ų | 90 | 87.1 Ų | 87.1 | 55% | 0.552 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -79 | 149.5 | 163.1 | 65.4 | 0 | 0 | 0 | 0 | 110 | A144 K145 L146 | T142-A144 PolarHBondContact O-N 3.12Å; T142-K145 WeakPolarHBondContact O-CB 3.28Å; T142-K145 PolarHBondContact O-N 2.81Å; T142-K145 WeakPolarHBondContact OG1-CB 3.47Å; T142-K145 PolarHBondContact OG1-N 3.18Å; T142-L146 PolarHBondContact O-N 2.84Å |
| 143 | I | 91.9 | Very high | 90.2 | Very high | 110 Ų | 110 | 90.2 Ų | 90.2 | 56% | 0.564 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -56.2 | -38.1 | 173.6 | -61.1 | -58.7 | 0 | 0 | 0 | 111 | K145 L146 C147 L152 | I143-K145 VanDerWaalsContact C-N 3.33Å; I143-K145 PolarHBondContact O-N 2.63Å; I143-L146 HydrophobicContact CD1-CD1 4.38Å; I143-L146 PolarHBondContact O-N 2.83Å; I143-C147 WeakPolarHBondContact O-CB 3.41Å; I143-C147 PolarHBondContact O-N 2.98Å; I143-C147 PolarHBondContact O-SG 3.42Å; I143-L152 HydrophobicContact CG2-CD2 4.49Å |
| 144 | A | 94.6 | Very high | 90.6 | Very high | 75 Ų | 75 | 92.4 Ų | 92.4 | 62% | 0.62 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.2 | -42.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T142 K148 | T142-A144 PolarHBondContact O-N 3.12Å; A144-K148 VanDerWaalsContact O-CB 3.22Å; A144-K148 WeakPolarHBondContact O-CB 3.16Å; A144-K148 PolarHBondContact O-N 3.32Å |
| 145 | K | 94 | Very high | 90.9 | Very high | 56 Ų | 56 | 90.8 Ų | 90.8 | 24% | 0.243 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -63.8 | -49.6 | 174.6 | -177.2 | -179 | 175.1 | -177.8 | 0 | 111 | E136 T142 I143 C147 K148 E149 | E136-K145 IonicContact OE1-NZ 3.36Å; E136-K145 PolarHBondContact OE1-NZ 3.11Å; E136-K145 IonicContact OE2-NZ 3.66Å; E136-K145 PolarHBondContact OE2-NZ 2.87Å; T142-K145 WeakPolarHBondContact O-CB 3.28Å; T142-K145 PolarHBondContact O-N 2.81Å; T142-K145 WeakPolarHBondContact OG1-CB 3.47Å; T142-K145 PolarHBondContact OG1-N 3.18Å; I143-K145 VanDerWaalsContact C-N 3.33Å; I143-K145 PolarHBondContact O-N 2.63Å; K145-C147 VanDerWaalsContact C-N 3.3Å; K145-C147 PolarHBondContact O-N 3.38Å; K145-K148 PolarHBondContact O-N 3.31Å; K145-E149 WeakPolarHBondContact CE-OE1 3.44Å; K145-E149 HydrophobicContact CG-CG 4.42Å; K145-E149 WeakPolarHBondContact CG-OE1 3.22Å; K145-E149 WeakPolarHBondContact O-CB 3.12Å; K145-E149 PolarHBondContact O-N 2.94Å |
| 146 | L | 94.2 | Very high | 91.3 | Very high | 29 Ų | 29 | 87.6 Ų | 87.6 | 15% | 0.152 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -58.4 | -41.6 | 180 | -64.1 | 177.1 | 0 | 0 | 0 | 112.3 | Y134 P141 T142 I143 K150 W151 L152 | Y134-L146 HydrophobicContact CD1-CD2 4.11Å; Y134-L146 HydrophobicContact CD2-CD2 3.84Å; Y134-L146 HydrophobicContact CE1-CD2 4.11Å; Y134-L146 HydrophobicContact CE2-CD2 3.78Å; Y134-L146 HydrophobicContact CG-CD2 3.99Å; P141-L146 HydrophobicContact CB-CD1 4.13Å; P141-L146 HydrophobicContact CB-CD2 3.66Å; P141-L146 HydrophobicContact CB-CG 3.77Å; P141-L146 HydrophobicContact CG-CD1 4.02Å; P141-L146 HydrophobicContact CG-CD2 3.93Å; P141-L146 HydrophobicContact CG-CG 4.16Å; T142-L146 PolarHBondContact O-N 2.84Å; I143-L146 HydrophobicContact CD1-CD1 4.38Å; I143-L146 PolarHBondContact O-N 2.83Å; L146-K150 CarbonylContact O-C 3.38Å; L146-K150 PolarHBondContact O-N 3.01Å; L146-K150 VanDerWaalsContact O-N 3.09Å; L146-W151 HydrophobicContact CB-CB 4.22Å; L146-W151 HydrophobicContact CD2-CB 3.82Å; L146-W151 HydrophobicContact CD2-CG 4.18Å; L146-W151 PolarHBondContact O-N 3.26Å; L146-L152 HydrophobicContact CB-CB 4.14Å; L146-L152 PolarHBondContact O-N 3.2Å |
| 147 | C | 95.2 | Very high | 91.7 | Very high | 64 Ų | 64 | 84.3 Ų | 84.3 | 43% | 0.432 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.6 | -45.5 | 176.2 | -68.6 | 0 | 0 | 0 | 0 | 112.1 | I143 K145 E149 K150 L152 | I143-C147 WeakPolarHBondContact O-CB 3.41Å; I143-C147 PolarHBondContact O-N 2.98Å; I143-C147 PolarHBondContact O-SG 3.42Å; K145-C147 VanDerWaalsContact C-N 3.3Å; K145-C147 PolarHBondContact O-N 3.38Å; C147-E149 VanDerWaalsContact C-N 3.29Å; C147-E149 PolarHBondContact O-N 2.98Å; C147-K150 PolarHBondContact O-N 3.37Å; C147-K150 VanDerWaalsContact O-N 3.15Å; C147-L152 WeakPolarHBondContact CA-O 3.47Å |
| 148 | K | 94.5 | Very high | 92 | Very high | 184 Ų | 184 | 82 Ų | 82 | 80% | 0.8 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -59.9 | -41.1 | 179.1 | -178.2 | -177.5 | 177.1 | -174.5 | 0 | 111.7 | A144 K145 K150 | A144-K148 VanDerWaalsContact O-CB 3.22Å; A144-K148 WeakPolarHBondContact O-CB 3.16Å; A144-K148 PolarHBondContact O-N 3.32Å; K145-K148 PolarHBondContact O-N 3.31Å; K148-K150 VanDerWaalsContact C-N 3.32Å |
| 149 | E | 94.1 | Very high | 92.2 | Very high | 93 Ų | 93 | 79.1 Ų | 79.1 | 44% | 0.435 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 5.9 | -179.7 | -65.9 | 177.7 | -166.2 | 0 | 0 | 113.4 | K145 C147 W151 | K145-E149 WeakPolarHBondContact CE-OE1 3.44Å; K145-E149 HydrophobicContact CG-CG 4.42Å; K145-E149 WeakPolarHBondContact CG-OE1 3.22Å; K145-E149 WeakPolarHBondContact O-CB 3.12Å; K145-E149 PolarHBondContact O-N 2.94Å; C147-E149 VanDerWaalsContact C-N 3.29Å; C147-E149 PolarHBondContact O-N 2.98Å; E149-W151 VanDerWaalsContact C-N 3.26Å; E149-W151 VanDerWaalsContact CB-CD1 3.41Å; E149-W151 HydrophobicContact CB-CG 4.47Å; E149-W151 PolarHBondContact O-N 3.19Å; E149-W151 PolarHBondContact OE2-NE1 3.01Å |
| 150 | K | 93 | Very high | 92.2 | Very high | 152 Ų | 152 | 77.2 Ų | 77.2 | 66% | 0.661 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 17.9 | 174.8 | -60.8 | -179.3 | -178.8 | 177.5 | 0 | 115.6 | L146 C147 K148 R153 | L146-K150 CarbonylContact O-C 3.38Å; L146-K150 PolarHBondContact O-N 3.01Å; L146-K150 VanDerWaalsContact O-N 3.09Å; C147-K150 PolarHBondContact O-N 3.37Å; C147-K150 VanDerWaalsContact O-N 3.15Å; K148-K150 VanDerWaalsContact C-N 3.32Å; K150-R153 WeakPolarHBondContact O-CD 3.34Å; K150-R153 WeakPolarHBondContact O-CG 3.31Å |
| 151 | W | 93.4 | Very high | 91.8 | Very high | 68 Ų | 68 | 74 Ų | 74 | 26% | 0.258 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -70.9 | -32.2 | 170.9 | -59.5 | 115.2 | 0 | 0 | 0 | 112.6 | C130 D131 H133 Y134 L146 E149 | C130-W151 CarbonylContact C-O 3.51Å; C130-W151 WeakPolarHBondContact CA-O 3.46Å; D131-W151 HydrophobicContact CB-CE3 3.98Å; D131-W151 HydrophobicContact CB-CZ3 4.47Å; D131-W151 PolarHBondContact N-O 3.25Å; H133-W151 HydrophobicContact CB-CH2 4.44Å; H133-W151 HydrophobicContact CB-CZ3 3.86Å; Y134-W151 HydrophobicContact CD2-CB 4.36Å; Y134-W151 AromaticContact CD2-CD1 3.37Å; Y134-W151 AromaticContact CD2-CD2 3.63Å; Y134-W151 HydrophobicContact CD2-CD2 3.63Å; Y134-W151 AromaticContact CD2-CE2 3.58Å; Y134-W151 HydrophobicContact CD2-CE3 4.39Å; Y134-W151 AromaticContact CD2-CG 3.55Å; Y134-W151 HydrophobicContact CD2-CG 3.55Å; Y134-W151 HydrophobicContact CD2-CZ2 4.3Å; Y134-W151 AromaticContact CD2-NE1 3.4Å; Y134-W151 AromaticContact CE2-CD1 3.74Å; Y134-W151 HydrophobicContact CE2-CG 4.33Å; Y134-W151 AromaticContact CE2-NE1 3.73Å; Y134-W151 HydrophobicContact CG-CD2 4.27Å; Y134-W151 HydrophobicContact CG-CG 4.23Å; L146-W151 HydrophobicContact CB-CB 4.22Å; L146-W151 HydrophobicContact CD2-CB 3.82Å; L146-W151 HydrophobicContact CD2-CG 4.18Å; L146-W151 PolarHBondContact O-N 3.26Å; E149-W151 VanDerWaalsContact C-N 3.26Å; E149-W151 VanDerWaalsContact CB-CD1 3.41Å; E149-W151 HydrophobicContact CB-CG 4.47Å; E149-W151 PolarHBondContact O-N 3.19Å; E149-W151 PolarHBondContact OE2-NE1 3.01Å |
| 152 | L | 95.4 | Very high | 91 | Very high | 34 Ų | 34 | 78.5 Ų | 78.5 | 18% | 0.178 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 108.2 | 168.1 | -178.7 | 65.7 | 0 | 0 | 0 | 107.9 | V115 L128 T129 C130 I143 L146 C147 | V115-L152 HydrophobicContact CG2-CD1 4.04Å; L128-L152 HydrophobicContact CD1-CD1 3.88Å; L128-L152 HydrophobicContact CD1-CG 4.04Å; L128-L152 HydrophobicContact CD2-CD1 4.34Å; L128-L152 HydrophobicContact CG-CD1 3.9Å; T129-L152 WeakPolarHBondContact O-CA 3.44Å; C130-L152 HydrophobicContact CB-CD1 4.25Å; I143-L152 HydrophobicContact CG2-CD2 4.49Å; L146-L152 HydrophobicContact CB-CB 4.14Å; L146-L152 PolarHBondContact O-N 3.2Å; C147-L152 WeakPolarHBondContact CA-O 3.47Å |
| 153 | R | 95.6 | Very high | 90 | Very high | 78 Ų | 78 | 84.8 Ų | 84.8 | 29% | 0.294 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 149.1 | -170.6 | 61.2 | 170.1 | -71.4 | -115.7 | -3.2 | 113.6 | L128 T129 K150 C155 E159 | L128-R153 CarbonylContact C-O 3.58Å; L128-R153 WeakPolarHBondContact CA-O 3.35Å; L128-R153 VanDerWaalsContact CD1-C 3.46Å; L128-R153 WeakPolarHBondContact CD1-O 3.46Å; T129-R153 PolarHBondContact N-O 3.22Å; T129-R153 PolarHBondContact O-N 3.47Å; T129-R153 PolarHBondContact OG1-O 2.9Å; K150-R153 WeakPolarHBondContact O-CD 3.34Å; K150-R153 WeakPolarHBondContact O-CG 3.31Å; R153-C155 PolarHBondContact NH1-SG 3.11Å; R153-C155 VanDerWaalsContact NH1-SG 3.38Å; R153-E159 IonicContact CZ-OE2 2.81Å; R153-E159 IonicContact NH1-OE2 3.61Å; R153-E159 IonicContact NH2-OE2 2.63Å; R153-E159 PolarHBondContact NH2-OE2 3.39Å |
| 154 | W | 95.4 | Very high | 89.4 | Confident | 103 Ų | 103 | 82.3 Ų | 82.3 | 39% | 0.39 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 131.2 | 163.6 | -69.3 | 101.7 | 0 | 0 | 0 | 109.9 | A116 K118 M126 L127 L128 | A116-W154 HydrophobicContact CB-CH2 3.7Å; A116-W154 HydrophobicContact CB-CZ2 4.4Å; A116-W154 HydrophobicContact CB-CZ3 4.39Å; K118-W154 HydrophobicContact CB-CE3 4.15Å; K118-W154 HydrophobicContact CB-CH2 3.71Å; K118-W154 HydrophobicContact CB-CZ3 3.47Å; K118-W154 VanDerWaalsContact CB-CZ3 3.47Å; K118-W154 HydrophobicContact CD-CH2 4.5Å; M126-W154 HydrophobicContact CB-CE3 3.86Å; M126-W154 HydrophobicContact CB-CZ3 4.46Å; M126-W154 HydrophobicContact CE-CB 3.64Å; L127-W154 CarbonylContact O-C 3.54Å; L127-W154 WeakPolarHBondContact O-CA 3.28Å; L128-W154 HydrophobicContact CB-CD2 3.97Å; L128-W154 HydrophobicContact CB-CE3 3.79Å; L128-W154 HydrophobicContact CB-CH2 3.76Å; L128-W154 HydrophobicContact CB-CZ2 3.93Å; L128-W154 HydrophobicContact CB-CZ3 3.68Å; L128-W154 HydrophobicContact CD1-CD2 4.12Å; L128-W154 HydrophobicContact CD1-CG 4.19Å; L128-W154 HydrophobicContact CD2-CZ2 4.01Å; L128-W154 HydrophobicContact CG-CZ2 4.4Å |
| 155 | C | 93.4 | Very high | 89.1 | Confident | 5 Ų | 5 | 81.5 Ų | 81.5 | 3% | 0.034 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 130.2 | -179.4 | -174.6 | 0 | 0 | 0 | 0 | 108.6 | M126 L127 T129 R153 | M126-C155 CarbonylContact C-O 3.56Å; M126-C155 VanDerWaalsContact CA-O 3.28Å; M126-C155 WeakPolarHBondContact CA-O 3.07Å; L127-C155 PolarHBondContact N-O 2.84Å; L127-C155 PolarHBondContact O-N 2.96Å; T129-C155 HydrophobicContact CG2-CB 4.35Å; R153-C155 PolarHBondContact NH1-SG 3.11Å; R153-C155 VanDerWaalsContact NH1-SG 3.38Å |
| 156 | K | 93.6 | Very high | 89 | Confident | 92 Ų | 92 | 79.2 Ų | 79.2 | 40% | 0.4 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 144.4 | 169.6 | -60.5 | 169.9 | -176.5 | 176.8 | 0 | 108.7 | P124 M126 T158 E159 | P124-K156 HydrophobicContact CB-CD 4.46Å; P124-K156 HydrophobicContact CB-CG 4.4Å; M126-K156 HydrophobicContact CE-CG 4.28Å; M126-K156 HydrophobicContact CG-CG 4.39Å; K156-T158 PolarHBondContact O-N 2.84Å; K156-E159 HydrophobicContact CB-CG 4.03Å; K156-E159 WeakPolarHBondContact CB-OE1 3.25Å; K156-E159 VanDerWaalsContact CG-OE1 3.31Å; K156-E159 WeakPolarHBondContact CG-OE1 3.38Å; K156-E159 PolarHBondContact N-OE1 2.94Å; K156-E159 WeakPolarHBondContact O-CB 3.41Å; K156-E159 PolarHBondContact O-N 2.88Å |
| 157 | V | 91.6 | Very high | 88.9 | Confident | 16 Ų | 16 | 79.7 Ų | 79.7 | 10% | 0.097 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -58.9 | -29.9 | 174.3 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | F82 I87 T125 L127 E159 L160 | F82-V157 HydrophobicContact CB-CB 3.99Å; F82-V157 HydrophobicContact CB-CG1 4.01Å; F82-V157 HydrophobicContact CB-CG2 4.36Å; F82-V157 HydrophobicContact CD1-CG1 4.4Å; F82-V157 HydrophobicContact CD2-CB 4.01Å; F82-V157 HydrophobicContact CD2-CG1 4.25Å; F82-V157 HydrophobicContact CG-CB 4.1Å; F82-V157 HydrophobicContact CG-CG1 3.97Å; I87-V157 HydrophobicContact CD1-CG1 4.23Å; T125-V157 HydrophobicContact CG2-CG1 4.14Å; T125-V157 PolarHBondContact O-N 2.96Å; L127-V157 HydrophobicContact CD1-CG1 3.93Å; L127-V157 HydrophobicContact CD2-CG1 4.42Å; L127-V157 HydrophobicContact CG-CG1 3.83Å; V157-E159 PolarHBondContact O-N 3.18Å; V157-L160 WeakPolarHBondContact O-CB 3.35Å; V157-L160 PolarHBondContact O-N 2.87Å |
| 158 | T | 88.3 | Confident | 88.9 | Confident | 90 Ų | 90 | 76.6 Ų | 76.6 | 55% | 0.552 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -71.8 | -10.4 | 176.4 | 59.6 | 0 | 0 | 0 | 0 | 114.2 | K156 | K156-T158 PolarHBondContact O-N 2.84Š|
| 159 | E | 88.1 | Confident | 89 | Confident | 97 Ų | 97 | 67.9 Ų | 67.9 | 45% | 0.453 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -84.5 | -14.2 | 173.2 | -68.6 | 168.1 | -129.9 | 0 | 0 | 112.1 | R153 K156 V157 | R153-E159 IonicContact CZ-OE2 2.81Å; R153-E159 IonicContact NH1-OE2 3.61Å; R153-E159 IonicContact NH2-OE2 2.63Å; R153-E159 PolarHBondContact NH2-OE2 3.39Å; K156-E159 HydrophobicContact CB-CG 4.03Å; K156-E159 WeakPolarHBondContact CB-OE1 3.25Å; K156-E159 VanDerWaalsContact CG-OE1 3.31Å; K156-E159 WeakPolarHBondContact CG-OE1 3.38Å; K156-E159 PolarHBondContact N-OE1 2.94Å; K156-E159 WeakPolarHBondContact O-CB 3.41Å; K156-E159 PolarHBondContact O-N 2.88Å; V157-E159 PolarHBondContact O-N 3.18Å |
| 160 | L | 84.2 | Confident | 89.2 | Confident | 25 Ų | 25 | 63.7 Ų | 63.7 | 13% | 0.131 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -74.5 | 139.6 | 174.2 | -61 | 173.3 | 0 | 0 | 0 | 109.1 | F82 L103 L127 V157 E162 Y166 | F82-L160 HydrophobicContact CD2-CD1 4.14Å; F82-L160 HydrophobicContact CE2-CD1 3.27Å; F82-L160 HydrophobicContact CZ-CD1 3.65Å; L103-L160 HydrophobicContact CD2-CD1 4.32Å; L103-L160 HydrophobicContact CD2-CD2 4.41Å; L127-L160 HydrophobicContact CD1-CD1 4.18Å; V157-L160 WeakPolarHBondContact O-CB 3.35Å; V157-L160 PolarHBondContact O-N 2.87Å; L160-E162 PolarHBondContact O-N 3.34Å; L160-Y166 HydrophobicContact CB-CE2 4.2Å |
| 161 | S | 76.5 | Confident | 89.4 | Confident | 49 Ų | 49 | 56.4 Ų | 56.4 | 34% | 0.343 | 26% | 0.257 | S | S | . | . | trans | -56.8 | 125.6 | -176.1 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | R163 H164 Y166 | S161-R163 PolarHBondContact O-N 3.39Å; S161-R163 PolarHBondContact OG-N 2.97Å; S161-H164 PolarHBondContact OG-CD2 3.48Å; S161-Y166 WeakPolarHBondContact CB-OH 3.38Å; S161-Y166 PolarHBondContact N-OH 2.88Å; S161-Y166 WeakPolarHBondContact O-CE2 3.37Å; S161-Y166 PolarHBondContact O-OH 2.75Å | ||
| 162 | E | 71.7 | Confident | 89.5 | Confident | 138 Ų | 138 | 57 Ų | 57 | 65% | 0.645 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -9.2 | 175.5 | -62.8 | -177 | 173 | 0 | 0 | 113.1 | K79 L160 | K79-E162 CarbonylContact C-O 3.48Å; K79-E162 WeakPolarHBondContact CA-O 3.32Å; K79-E162 WeakPolarHBondContact CB-O 3.49Å; K79-E162 WeakPolarHBondContact O-CA 3.34Å; L160-E162 PolarHBondContact O-N 3.34Å |
| 163 | R | 70.7 | Confident | 89.2 | Confident | 223 Ų | 223 | 58.2 Ų | 58.2 | 84% | 0.842 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -18.9 | -175.4 | -64.3 | -174.4 | 179.8 | -173.8 | -0.1 | 113.3 | S161 | S161-R163 PolarHBondContact O-N 3.39Å; S161-R163 PolarHBondContact OG-N 2.97Å |
| 164 | H | 80.4 | Confident | 88.8 | Confident | 57 Ų | 57 | 57.2 Ų | 57.2 | 26% | 0.264 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -119.1 | 149.9 | -172.7 | -56.7 | -64.4 | 0 | 0 | 0 | 111 | K79 G80 Y106 S161 | K79-H164 CarbonylContact C-O 3.6Å; K79-H164 WeakPolarHBondContact CA-O 3.27Å; K79-H164 PolarHBondContact N-O 2.98Å; G80-H164 PolarHBondContact N-O 2.87Å; G80-H164 VanDerWaalsContact N-O 3.08Å; Y106-H164 AromaticContact CD1-ND1 3.89Å; Y106-H164 AromaticContact CG-ND1 3.97Å; S161-H164 PolarHBondContact OG-CD2 3.48Å |
| 165 | F | 87.5 | Confident | 88.5 | Confident | 59 Ų | 59 | 54.6 Ų | 54.6 | 26% | 0.259 | 26% | 0.261 | S | S | . | . | trans | -75.8 | 155.7 | 165.8 | 67.3 | -95.3 | 0 | 0 | 0 | 109.6 | R76 V77 G105 Y106 | R76-F165 VanDerWaalsContact CZ-CG 3.47Å; R76-F165 VanDerWaalsContact NH1-CG 3.26Å; R76-F165 VanDerWaalsContact NH2-CB 3.25Å; R76-F165 VanDerWaalsContact NH2-CD1 3.29Å; V77-F165 CarbonylContact O-C 3.58Å; V77-F165 VanDerWaalsContact O-CA 3.28Å; V77-F165 WeakPolarHBondContact O-CA 3.02Å; G105-F165 WeakPolarHBondContact CA-O 3.41Å; Y106-F165 HydrophobicContact CD2-CE1 4.02Å; Y106-F165 HydrophobicContact CD2-CZ 4.39Å | ||
| 166 | Y | 91.3 | Very high | 88.2 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 147.2 | 165.1 | -56.1 | -91.9 | 0 | 0 | 0 | 109.9 | R76 V77 L103 G104 L160 S161 | R76-Y166 CarbonylContact C-O 3.57Å; R76-Y166 WeakPolarHBondContact CA-O 3.46Å; V77-Y166 PolarHBondContact N-O 3.3Å; V77-Y166 PolarHBondContact O-N 2.93Å; L103-Y166 HydrophobicContact CD1-CD1 3.87Å; L103-Y166 HydrophobicContact CD1-CG 3.87Å; L103-Y166 HydrophobicContact CD2-CD1 4.21Å; L103-Y166 HydrophobicContact CG-CD1 3.97Å; L103-Y166 HydrophobicContact CG-CG 4.48Å; G104-Y166 CarbonylContact O-C 3.45Å; G104-Y166 VanDerWaalsContact O-CA 3.23Å; G104-Y166 WeakPolarHBondContact O-CA 3.5Å; L160-Y166 HydrophobicContact CB-CE2 4.2Å; S161-Y166 WeakPolarHBondContact CB-OH 3.38Å; S161-Y166 PolarHBondContact N-OH 2.88Å; S161-Y166 WeakPolarHBondContact O-CE2 3.37Å; S161-Y166 PolarHBondContact O-OH 2.75Å |
| 167 | N | 93.3 | Very high | 87.8 | Confident | 39 Ų | 39 | 55.4 Ų | 55.4 | 21% | 0.209 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130.2 | 164.2 | -65.9 | -34 | 0 | 0 | 0 | 107.7 | T57 I74 G104 | T57-N167 HydrophobicContact CG2-CB 4.11Å; T57-N167 VanDerWaalsContact OG1-CB 3.23Å; T57-N167 WeakPolarHBondContact OG1-CB 3.41Å; I74-N167 HydrophobicContact CG2-CB 4.38Å; G104-N167 PolarHBondContact N-O 2.91Å; G104-N167 PolarHBondContact O-N 2.85Å |
| 168 | L | 95.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 131.5 | 169.4 | -62.5 | 165.7 | 0 | 0 | 0 | 108 | I74 I75 V77 F82 I86 L90 V101 M102 L103 I114 L170 | I74-L168 CarbonylContact C-O 3.56Å; I74-L168 VanDerWaalsContact CA-O 3.26Å; I74-L168 WeakPolarHBondContact CA-O 3.49Å; I75-L168 HydrophobicContact CB-CB 4.21Å; I75-L168 HydrophobicContact CB-CD1 4.32Å; I75-L168 HydrophobicContact CG2-CD1 4.4Å; I75-L168 PolarHBondContact N-O 3.08Å; I75-L168 PolarHBondContact O-N 3.49Å; V77-L168 HydrophobicContact CG2-CD1 3.73Å; V77-L168 HydrophobicContact CG2-CG 4.06Å; F82-L168 HydrophobicContact CE1-CD1 4.13Å; F82-L168 HydrophobicContact CE1-CD2 4.41Å; I86-L168 HydrophobicContact CG2-CD1 4.03Å; L90-L168 HydrophobicContact CD1-CD1 4.41Å; L90-L168 HydrophobicContact CD2-CD1 4.29Å; V101-L168 HydrophobicContact CG1-CB 4.13Å; V101-L168 HydrophobicContact CG1-CD2 3.99Å; M102-L168 CarbonylContact O-C 3.49Å; M102-L168 VanDerWaalsContact O-CA 3.22Å; M102-L168 WeakPolarHBondContact O-CA 3.37Å; L103-L168 HydrophobicContact CB-CD2 4.19Å; L103-L168 HydrophobicContact CD1-CD2 3.39Å; L103-L168 HydrophobicContact CD1-CG 4.22Å; L103-L168 HydrophobicContact CG-CD2 4.41Å; I114-L168 HydrophobicContact CD1-CD2 3.59Å; L168-L170 HydrophobicContact CB-CD1 3.5Å |
| 169 | C | 96.9 | Very high | 87.5 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 115.6 | 166.7 | 174.6 | 0 | 0 | 0 | 0 | 109.4 | I74 V101 M102 | I74-C169 HydrophobicContact CD1-CB 3.64Å; V101-C169 WeakPolarHBondContact CG1-O 3.13Å; M102-C169 HydrophobicContact CB-CB 4.16Å; M102-C169 PolarHBondContact N-O 3.4Å; M102-C169 PolarHBondContact O-N 3.21Å |
| 170 | L | 97.9 | Very high | 87.5 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 106.6 | -176.7 | -72.6 | 76.8 | 0 | 0 | 0 | 109.1 | F72 K73 I75 L90 H93 V101 L168 L172 | F72-L170 CarbonylContact C-O 3.52Å; F72-L170 VanDerWaalsContact CA-O 3.27Å; F72-L170 WeakPolarHBondContact CA-O 3.4Å; K73-L170 HydrophobicContact CB-CB 4.37Å; K73-L170 PolarHBondContact N-O 3.47Å; K73-L170 PolarHBondContact O-N 3.38Å; I75-L170 HydrophobicContact CB-CD1 4.39Å; I75-L170 HydrophobicContact CD1-CD1 3.73Å; I75-L170 HydrophobicContact CD1-CD2 3.69Å; I75-L170 HydrophobicContact CD1-CG 4.39Å; I75-L170 HydrophobicContact CG1-CD1 4.03Å; L90-L170 HydrophobicContact CD2-CD2 4.45Å; H93-L170 HydrophobicContact CB-CD2 3.91Å; V101-L170 HydrophobicContact CG1-CD1 3.84Å; V101-L170 HydrophobicContact CG1-CG 3.91Å; V101-L170 HydrophobicContact CG2-CG 3.94Å; L168-L170 HydrophobicContact CB-CD1 3.5Å; L170-L172 PolarHBondContact O-N 2.85Å |
| 171 | P | 97.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 123.3 | 172.6 | -20.6 | 33.6 | 0 | 0 | 0 | 112.1 | I14 Y18 V64 H93 S99 P100 | I14-P171 HydrophobicContact CD1-CG 4.45Å; I14-P171 HydrophobicContact CG2-CG 3.71Å; Y18-P171 HydrophobicContact CE2-CB 3.65Å; Y18-P171 HydrophobicContact CE2-CG 4.31Å; Y18-P171 WeakPolarHBondContact OH-CB 3.48Å; V64-P171 HydrophobicContact CG1-CB 4.11Å; V64-P171 HydrophobicContact CG1-CG 4.38Å; H93-P171 PolarHBondContact CE1-O 2.68Å; S99-P171 PolarHBondContact OG-O 3.38Å; S99-P171 VanDerWaalsContact OG-O 3.12Å; P100-P171 WeakPolarHBondContact O-CD 3.45Å |
| 172 | L | 94.4 | Very high | 88.8 | Confident | 81 Ų | 81 | 55.4 Ų | 55.4 | 42% | 0.424 | 25% | 0.245 | S | C | . | . | trans | -90.9 | 0 | -175.5 | -58.8 | -179.2 | 0 | 0 | 0 | 113.3 | Y18 H70 D71 K73 Q97 L170 | Y18-L172 PolarHBondContact OH-O 3.02Å; Y18-L172 VanDerWaalsContact OH-O 3.12Å; H70-L172 WeakPolarHBondContact CB-O 3.38Å; H70-L172 PolarHBondContact CD2-O 3.01Å; D71-L172 HydrophobicContact CB-CB 4.38Å; D71-L172 HydrophobicContact CB-CD1 4.29Å; D71-L172 PolarHBondContact O-N 3.42Å; K73-L172 HydrophobicContact CB-CD1 4.21Å; K73-L172 HydrophobicContact CB-CD2 4.23Å; K73-L172 HydrophobicContact CB-CG 4.34Å; Q97-L172 PolarHBondContact NE2-OXT 3.06Å; Q97-L172 PolarHBondContact OE1-OXT 3.43Å; L170-L172 PolarHBondContact O-N 2.85Å |
Retrieved 172 of 172 residues in 65.3 ms
(Link to these results)