| 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 | 60.3 | Low | 78.9 | Confident | 182 Ų | 182 | 72.5 Ų | 72.5 | 90% | 0.897 | 37% | 0.367 | S | S | * | . | 0 | 119.3 | 0 | -155.2 | 176.7 | -81 | 0 | 0 | 106.8 | E5 I6 | M1-E5 VanDerWaalsContact C-OE2 3.3Å; M1-E5 WeakPolarHBondContact CA-OE2 3.44Å; M1-E5 HydrophobicContact CG-CB 3.87Å; M1-E5 WeakPolarHBondContact CG-OE2 3.48Å; M1-I6 HydrophobicContact CB-CD1 4.34Å; M1-I6 HydrophobicContact CB-CG1 4.25Å; M1-I6 HydrophobicContact CG-CD1 4.23Å; M1-I6 HydrophobicContact CG-CG1 3.6Å; M1-I6 HydrophobicContact SD-CD1 4.11Å; M1-I6 HydrophobicContact SD-CG1 3.4Å; M1-I6 WeakPolarHBondContact SD-CG1 3.45Å | |||
| 2 | T | 74.1 | Confident | 79.9 | Confident | 72 Ų | 72 | 73 Ų | 73 | 44% | 0.442 | 37% | 0.37 | S | S | . | . | trans | -76.9 | 157.5 | 179.4 | 66.5 | 0 | 0 | 0 | 0 | 110.4 | Q4 E5 I6 | T2-Q4 PolarHBondContact O-N 3.48Å; T2-E5 PolarHBondContact N-OE2 3.35Å; T2-E5 WeakPolarHBondContact O-CB 3.36Å; T2-E5 PolarHBondContact O-N 3.42Å; T2-E5 VanDerWaalsContact OG1-CG 3.29Å; T2-E5 WeakPolarHBondContact OG1-CG 3.34Å; T2-E5 PolarHBondContact OG1-N 3.1Å; T2-I6 PolarHBondContact O-N 2.87Å; T2-I6 VanDerWaalsContact O-N 3.16Å | ||
| 3 | E | 72.2 | Confident | 80.9 | Confident | 92 Ų | 92 | 67.6 Ų | 67.6 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -51.4 | -39.9 | 172.9 | -173.9 | -171.3 | 133.8 | 0 | 0 | 111.2 | I6 L7 V66 | E3-I6 PolarHBondContact O-N 2.74Å; E3-L7 HydrophobicContact CG-CD1 3.9Å; E3-L7 HydrophobicContact CG-CG 4.48Å; E3-L7 WeakPolarHBondContact O-CB 2.92Å; E3-L7 VanDerWaalsContact O-CG 3.26Å; E3-L7 WeakPolarHBondContact O-CG 3.4Å; E3-L7 PolarHBondContact O-N 3.1Å; E3-V66 HydrophobicContact CG-CG2 3.95Å |
| 4 | Q | 75.4 | Confident | 81.6 | Confident | 155 Ų | 155 | 62.9 Ų | 62.9 | 72% | 0.724 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.4 | -39.7 | 178.5 | -66.1 | 178 | -7.8 | 0 | 0 | 112.9 | T2 H8 | T2-Q4 PolarHBondContact O-N 3.48Å; Q4-H8 VanDerWaalsContact O-CB 3.28Å; Q4-H8 WeakPolarHBondContact O-CB 3.49Å; Q4-H8 PolarHBondContact O-N 2.98Å |
| 5 | E | 77.3 | Confident | 81.9 | Confident | 107 Ų | 107 | 64 Ų | 64 | 50% | 0.5 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 176.5 | -75.1 | 166.4 | 174.4 | 0 | 0 | 111.3 | M1 T2 H8 A9 | M1-E5 VanDerWaalsContact C-OE2 3.3Å; M1-E5 WeakPolarHBondContact CA-OE2 3.44Å; M1-E5 HydrophobicContact CG-CB 3.87Å; M1-E5 WeakPolarHBondContact CG-OE2 3.48Å; T2-E5 PolarHBondContact N-OE2 3.35Å; T2-E5 WeakPolarHBondContact O-CB 3.36Å; T2-E5 PolarHBondContact O-N 3.42Å; T2-E5 VanDerWaalsContact OG1-CG 3.29Å; T2-E5 WeakPolarHBondContact OG1-CG 3.34Å; T2-E5 PolarHBondContact OG1-N 3.1Å; E5-H8 PolarHBondContact O-N 3.22Å; E5-A9 PolarHBondContact O-N 3.31Å |
| 6 | I | 76.4 | Confident | 81.9 | Confident | 31 Ų | 31 | 65.1 Ų | 65.1 | 16% | 0.159 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.3 | -44.2 | 179.9 | -60 | 173.3 | 0 | 0 | 0 | 110.5 | M1 T2 E3 H8 A9 F10 F60 L64 | M1-I6 HydrophobicContact CB-CD1 4.34Å; M1-I6 HydrophobicContact CB-CG1 4.25Å; M1-I6 HydrophobicContact CG-CD1 4.23Å; M1-I6 HydrophobicContact CG-CG1 3.6Å; M1-I6 HydrophobicContact SD-CD1 4.11Å; M1-I6 HydrophobicContact SD-CG1 3.4Å; M1-I6 WeakPolarHBondContact SD-CG1 3.45Å; T2-I6 PolarHBondContact O-N 2.87Å; T2-I6 VanDerWaalsContact O-N 3.16Å; E3-I6 PolarHBondContact O-N 2.74Å; I6-H8 VanDerWaalsContact C-N 3.25Å; I6-H8 PolarHBondContact O-N 2.77Å; I6-A9 WeakPolarHBondContact O-CB 3.47Å; I6-A9 PolarHBondContact O-N 3.1Å; I6-A9 VanDerWaalsContact O-N 3.11Å; I6-F10 PolarHBondContact O-N 3.34Å; I6-F60 HydrophobicContact CG2-CE1 3.92Å; I6-F60 HydrophobicContact CG2-CE2 4.03Å; I6-F60 HydrophobicContact CG2-CZ 3.29Å; I6-F60 WeakPolarHBondContact O-CZ 3.28Å; I6-L64 HydrophobicContact CB-CD1 4.12Å; I6-L64 HydrophobicContact CD1-CD2 3.8Å; I6-L64 HydrophobicContact CG2-CD1 3.29Å; I6-L64 HydrophobicContact CG2-CD2 3.8Å; I6-L64 HydrophobicContact CG2-CG 4.17Å |
| 7 | L | 82.5 | Confident | 81.9 | Confident | 7 Ų | 7 | 65.7 Ų | 65.7 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.9 | -29.1 | 174.9 | -70.9 | 170 | 0 | 0 | 0 | 112.9 | E3 F57 F60 V66 I74 R78 | E3-L7 HydrophobicContact CG-CD1 3.9Å; E3-L7 HydrophobicContact CG-CG 4.48Å; E3-L7 WeakPolarHBondContact O-CB 2.92Å; E3-L7 VanDerWaalsContact O-CG 3.26Å; E3-L7 WeakPolarHBondContact O-CG 3.4Å; E3-L7 PolarHBondContact O-N 3.1Å; L7-F57 HydrophobicContact CD2-CE2 4.05Å; L7-F57 HydrophobicContact CD2-CZ 4.23Å; L7-F60 HydrophobicContact CD2-CD1 4.43Å; L7-F60 HydrophobicContact CD2-CE1 4.17Å; L7-V66 HydrophobicContact CD2-CG2 4.41Å; L7-I74 HydrophobicContact CD1-CD1 3.6Å; L7-I74 HydrophobicContact CD2-CD1 4.22Å; L7-I74 HydrophobicContact CG-CD1 4.49Å; L7-R78 PolarHBondContact O-NH1 3.1Å |
| 8 | H | 85.5 | Confident | 81.9 | Confident | 103 Ų | 103 | 63.3 Ų | 63.3 | 48% | 0.477 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70.6 | -39.8 | 172 | -173.1 | 57.7 | 0 | 0 | 0 | 111.1 | Q4 E5 I6 F10 S11 L12 | Q4-H8 VanDerWaalsContact O-CB 3.28Å; Q4-H8 WeakPolarHBondContact O-CB 3.49Å; Q4-H8 PolarHBondContact O-N 2.98Å; E5-H8 PolarHBondContact O-N 3.22Å; I6-H8 VanDerWaalsContact C-N 3.25Å; I6-H8 PolarHBondContact O-N 2.77Å; H8-F10 VanDerWaalsContact C-N 3.26Å; H8-F10 PolarHBondContact O-N 3.28Å; H8-S11 PolarHBondContact O-N 3.03Å; H8-S11 VanDerWaalsContact O-N 3.17Å; H8-L12 WeakPolarHBondContact O-CG 3.49Å; H8-L12 PolarHBondContact O-N 3.44Å; H8-L12 VanDerWaalsContact O-N 3.09Å |
| 9 | A | 87.3 | Confident | 82.2 | Confident | 20 Ų | 20 | 60 Ų | 60 | 17% | 0.165 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57 | -40.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | E5 I6 S11 L12 I13 W43 | E5-A9 PolarHBondContact O-N 3.31Å; I6-A9 WeakPolarHBondContact O-CB 3.47Å; I6-A9 PolarHBondContact O-N 3.1Å; I6-A9 VanDerWaalsContact O-N 3.11Å; A9-S11 PolarHBondContact O-N 3.45Å; A9-L12 PolarHBondContact O-N 2.92Å; A9-L12 VanDerWaalsContact O-N 3.15Å; A9-I13 WeakPolarHBondContact O-CD1 2.98Å; A9-I13 VanDerWaalsContact O-CG1 3.27Å; A9-I13 WeakPolarHBondContact O-CG1 3.46Å; A9-I13 PolarHBondContact O-N 2.9Å; A9-W43 HydrophobicContact CB-CH2 4.33Å; A9-W43 HydrophobicContact CB-CZ2 4.17Å |
| 10 | F | 90.2 | Very high | 82.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -54.2 | -51.7 | 175.6 | -170.1 | -80.3 | 0 | 0 | 0 | 111.7 | I6 H8 L12 I13 D14 I21 F57 F60 | I6-F10 PolarHBondContact O-N 3.34Å; H8-F10 VanDerWaalsContact C-N 3.26Å; H8-F10 PolarHBondContact O-N 3.28Å; F10-L12 VanDerWaalsContact C-N 3.28Å; F10-L12 PolarHBondContact O-N 3.23Å; F10-I13 PolarHBondContact O-N 3.3Å; F10-I13 VanDerWaalsContact O-N 3.09Å; F10-D14 HydrophobicContact CD1-CB 4.02Å; F10-D14 HydrophobicContact CE1-CB 3.68Å; F10-D14 WeakPolarHBondContact CE1-OD2 3.4Å; F10-D14 HydrophobicContact CZ-CB 4.39Å; F10-D14 WeakPolarHBondContact O-CB 3.33Å; F10-D14 PolarHBondContact O-N 3Å; F10-I21 HydrophobicContact CB-CD1 4.34Å; F10-I21 HydrophobicContact CD1-CD1 4.31Å; F10-I21 HydrophobicContact CD2-CD1 3.36Å; F10-I21 HydrophobicContact CD2-CG1 4.17Å; F10-I21 HydrophobicContact CE1-CD1 4.45Å; F10-I21 HydrophobicContact CE1-CG1 4.43Å; F10-I21 HydrophobicContact CE2-CD1 3.53Å; F10-I21 HydrophobicContact CE2-CG1 3.85Å; F10-I21 HydrophobicContact CG-CD1 3.77Å; F10-I21 HydrophobicContact CZ-CD1 4.08Å; F10-I21 HydrophobicContact CZ-CG1 3.98Å; F10-F57 AromaticContact CD1-CD2 3.7Å; F10-F57 HydrophobicContact CD1-CD2 3.7Å; F10-F57 HydrophobicContact CD1-CE2 4.41Å; F10-F57 HydrophobicContact CD2-CD2 4.21Å; F10-F57 HydrophobicContact CE1-CB 3.94Å; F10-F57 AromaticContact CE1-CD2 3.75Å; F10-F57 HydrophobicContact CE1-CD2 3.75Å; F10-F57 HydrophobicContact CE1-CG 4.31Å; F10-F57 HydrophobicContact CE2-CB 4.15Å; F10-F57 HydrophobicContact CE2-CD2 4.27Å; F10-F57 AromaticContact CG-CD2 3.95Å; F10-F57 HydrophobicContact CG-CD2 3.95Å; F10-F57 HydrophobicContact CZ-CB 3.64Å; F10-F57 HydrophobicContact CZ-CD2 4.06Å; F10-F57 HydrophobicContact CZ-CG 4.37Å; F10-F60 HydrophobicContact CB-CD1 4.19Å; F10-F60 HydrophobicContact CB-CE1 3.72Å; F10-F60 HydrophobicContact CB-CZ 4.02Å; F10-F60 HydrophobicContact CD2-CB 4.04Å; F10-F60 AromaticContact CD2-CD1 3.64Å; F10-F60 HydrophobicContact CD2-CD1 3.64Å; F10-F60 HydrophobicContact CD2-CD2 4.09Å; F10-F60 AromaticContact CD2-CE1 3.97Å; F10-F60 HydrophobicContact CD2-CE1 3.97Å; F10-F60 HydrophobicContact CD2-CE2 4.39Å; F10-F60 AromaticContact CD2-CG 3.66Å; F10-F60 HydrophobicContact CD2-CG 3.66Å; F10-F60 HydrophobicContact CD2-CZ 4.29Å; F10-F60 HydrophobicContact CE2-CB 4.09Å; F10-F60 HydrophobicContact CE2-CD1 4.47Å; F10-F60 HydrophobicContact CE2-CG 4.22Å; F10-F60 HydrophobicContact CG-CD1 4.23Å; F10-F60 HydrophobicContact CG-CE1 4.24Å |
| 11 | S | 87 | Confident | 83 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 20% | 0.203 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.6 | -17.8 | -179.4 | -75.8 | 0 | 0 | 0 | 0 | 114.8 | H8 A9 I13 R78 | H8-S11 PolarHBondContact O-N 3.03Å; H8-S11 VanDerWaalsContact O-N 3.17Å; A9-S11 PolarHBondContact O-N 3.45Å; S11-I13 VanDerWaalsContact C-N 3.32Å; S11-R78 PolarHBondContact OG-NH1 3.18Å |
| 12 | L | 90.5 | Very high | 84.5 | Confident | 78 Ų | 78 | 46.9 Ų | 46.9 | 41% | 0.408 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -77 | -24.6 | 171.2 | -69.1 | 177.3 | 0 | 0 | 0 | 112.1 | H8 A9 F10 Y29 | H8-L12 WeakPolarHBondContact O-CG 3.49Å; H8-L12 PolarHBondContact O-N 3.44Å; H8-L12 VanDerWaalsContact O-N 3.09Å; A9-L12 PolarHBondContact O-N 2.92Å; A9-L12 VanDerWaalsContact O-N 3.15Å; F10-L12 VanDerWaalsContact C-N 3.28Å; F10-L12 PolarHBondContact O-N 3.23Å; L12-Y29 HydrophobicContact CB-CE2 3.94Å |
| 13 | I | 93.4 | Very high | 85.4 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -94.3 | -46.3 | -177.9 | -59.4 | 161.2 | 0 | 0 | 0 | 110.3 | A9 F10 S11 T15 I21 D25 L26 Y29 F39 W43 | A9-I13 WeakPolarHBondContact O-CD1 2.98Å; A9-I13 VanDerWaalsContact O-CG1 3.27Å; A9-I13 WeakPolarHBondContact O-CG1 3.46Å; A9-I13 PolarHBondContact O-N 2.9Å; F10-I13 PolarHBondContact O-N 3.3Å; F10-I13 VanDerWaalsContact O-N 3.09Å; S11-I13 VanDerWaalsContact C-N 3.32Å; I13-T15 VanDerWaalsContact C-N 3.3Å; I13-T15 PolarHBondContact O-N 3.21Å; I13-I21 HydrophobicContact CB-CD1 3.75Å; I13-I21 HydrophobicContact CB-CG1 4.12Å; I13-I21 HydrophobicContact CD1-CD1 4.24Å; I13-I21 HydrophobicContact CG2-CB 4.27Å; I13-I21 HydrophobicContact CG2-CD1 3.83Å; I13-I21 HydrophobicContact CG2-CG1 3.82Å; I13-I21 HydrophobicContact CG2-CG2 3.53Å; I13-D25 HydrophobicContact CG2-CB 3.91Å; I13-L26 HydrophobicContact CD1-CD2 4.17Å; I13-L26 HydrophobicContact CG2-CD2 4.15Å; I13-Y29 HydrophobicContact CD1-CD1 4.43Å; I13-Y29 HydrophobicContact CG1-CD1 3.96Å; I13-Y29 HydrophobicContact CG1-CD2 3.86Å; I13-Y29 HydrophobicContact CG1-CE1 4.35Å; I13-Y29 HydrophobicContact CG1-CE2 4.28Å; I13-Y29 HydrophobicContact CG1-CG 3.69Å; I13-F39 HydrophobicContact CD1-CZ 4.1Å; I13-W43 HydrophobicContact CD1-CE3 4.41Å; I13-W43 HydrophobicContact CD1-CH2 3.41Å; I13-W43 VanDerWaalsContact CD1-CH2 3.41Å; I13-W43 HydrophobicContact CD1-CZ2 3.57Å; I13-W43 HydrophobicContact CD1-CZ3 3.87Å |
| 14 | D | 89.9 | Confident | 86.2 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | trans | -73.8 | 79.4 | 174.2 | 178.2 | 10.1 | 0 | 0 | 0 | 110.4 | F10 N17 D18 G19 I21 | F10-D14 HydrophobicContact CD1-CB 4.02Å; F10-D14 HydrophobicContact CE1-CB 3.68Å; F10-D14 WeakPolarHBondContact CE1-OD2 3.4Å; F10-D14 HydrophobicContact CZ-CB 4.39Å; F10-D14 WeakPolarHBondContact O-CB 3.33Å; F10-D14 PolarHBondContact O-N 3Å; D14-N17 VanDerWaalsContact OD1-CA 3.26Å; D14-N17 WeakPolarHBondContact OD1-CA 3.29Å; D14-N17 PolarHBondContact OD1-N 3.42Å; D14-N17 WeakPolarHBondContact OD2-CA 3.37Å; D14-D18 PolarHBondContact OD1-N 2.75Å; D14-G19 WeakPolarHBondContact OD2-CA 3.47Å; D14-G19 PolarHBondContact OD2-N 2.91Å; D14-I21 HydrophobicContact CB-CG1 3.98Å | ||
| 15 | T | 86.4 | Confident | 87.1 | Confident | 80 Ų | 80 | 36.8 Ų | 36.8 | 49% | 0.491 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -77.6 | -19.8 | -173.1 | 54.8 | 0 | 0 | 0 | 0 | 114.5 | I13 | I13-T15 VanDerWaalsContact C-N 3.3Å; I13-T15 PolarHBondContact O-N 3.21Å |
| 16 | D | 81.7 | Confident | 87.9 | Confident | 82 Ų | 82 | 31.7 Ų | 31.7 | 44% | 0.439 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -96.5 | -3.6 | 175.4 | 54.1 | -21.1 | 0 | 0 | 0 | 113.5 | D18 | D16-D18 PolarHBondContact O-N 3.19Š|
| 17 | N | 81.7 | Confident | 88.7 | Confident | 75 Ų | 75 | 34.3 Ų | 34.3 | 40% | 0.401 | 18% | 0.183 | S | C | . | . | trans | 57.5 | 33.3 | 177.2 | -59.2 | -76.3 | 0 | 0 | 0 | 112.9 | D14 G19 | D14-N17 VanDerWaalsContact OD1-CA 3.26Å; D14-N17 WeakPolarHBondContact OD1-CA 3.29Å; D14-N17 PolarHBondContact OD1-N 3.42Å; D14-N17 WeakPolarHBondContact OD2-CA 3.37Å; N17-G19 PolarHBondContact O-N 3.13Å | ||
| 18 | D | 82.1 | Confident | 89.2 | Confident | 23 Ų | 23 | 39.4 Ų | 39.4 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -83.1 | -2.5 | 177.8 | 81 | -7.2 | 0 | 0 | 0 | 112.4 | D14 D16 V20 Y110 | D14-D18 PolarHBondContact OD1-N 2.75Å; D16-D18 PolarHBondContact O-N 3.19Å; D18-V20 VanDerWaalsContact C-N 3.33Å; D18-V20 WeakPolarHBondContact OD1-CA 3.26Å; D18-V20 WeakPolarHBondContact OD1-CB 3.41Å; D18-V20 PolarHBondContact OD1-N 3.22Å; D18-V20 VanDerWaalsContact OD1-O 3.07Å; D18-Y110 HydrophobicContact CB-CD1 4.25Å; D18-Y110 WeakPolarHBondContact OD2-CD1 3.22Å |
| 19 | G | 87.6 | Confident | 89.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 80 | 14.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D14 N17 T56 F57 | D14-G19 WeakPolarHBondContact OD2-CA 3.47Å; D14-G19 PolarHBondContact OD2-N 2.91Å; N17-G19 PolarHBondContact O-N 3.13Å; G19-T56 CarbonylContact O-C 3.58Å; G19-T56 WeakPolarHBondContact O-CA 3.35Å; G19-F57 PolarHBondContact O-N 3.13Å |
| 20 | V | 89.6 | Confident | 89.9 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 126.8 | -178.6 | -175.3 | 0 | 0 | 0 | 0 | 110.8 | D18 E54 T56 P83 Y110 | D18-V20 VanDerWaalsContact C-N 3.33Å; D18-V20 WeakPolarHBondContact OD1-CA 3.26Å; D18-V20 WeakPolarHBondContact OD1-CB 3.41Å; D18-V20 PolarHBondContact OD1-N 3.22Å; D18-V20 VanDerWaalsContact OD1-O 3.07Å; V20-E54 HydrophobicContact CG1-CB 3.75Å; V20-E54 HydrophobicContact CG1-CG 3.85Å; V20-T56 HydrophobicContact CG2-CG2 4.29Å; V20-P83 HydrophobicContact CG2-CB 4.27Å; V20-P83 HydrophobicContact CG2-CG 3.26Å; V20-Y110 HydrophobicContact CB-CE1 4.24Å; V20-Y110 HydrophobicContact CG2-CD1 4.34Å; V20-Y110 HydrophobicContact CG2-CE1 3.44Å; V20-Y110 VanDerWaalsContact CG2-CE1 3.44Å |
| 21 | I | 92.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 116.3 | 168.7 | -69.4 | 170.4 | 0 | 0 | 0 | 108 | F10 I13 D14 D25 L26 W43 I55 | F10-I21 HydrophobicContact CB-CD1 4.34Å; F10-I21 HydrophobicContact CD1-CD1 4.31Å; F10-I21 HydrophobicContact CD2-CD1 3.36Å; F10-I21 HydrophobicContact CD2-CG1 4.17Å; F10-I21 HydrophobicContact CE1-CD1 4.45Å; F10-I21 HydrophobicContact CE1-CG1 4.43Å; F10-I21 HydrophobicContact CE2-CD1 3.53Å; F10-I21 HydrophobicContact CE2-CG1 3.85Å; F10-I21 HydrophobicContact CG-CD1 3.77Å; F10-I21 HydrophobicContact CZ-CD1 4.08Å; F10-I21 HydrophobicContact CZ-CG1 3.98Å; I13-I21 HydrophobicContact CB-CD1 3.75Å; I13-I21 HydrophobicContact CB-CG1 4.12Å; I13-I21 HydrophobicContact CD1-CD1 4.24Å; I13-I21 HydrophobicContact CG2-CB 4.27Å; I13-I21 HydrophobicContact CG2-CD1 3.83Å; I13-I21 HydrophobicContact CG2-CG1 3.82Å; I13-I21 HydrophobicContact CG2-CG2 3.53Å; D14-I21 HydrophobicContact CB-CG1 3.98Å; I21-D25 HydrophobicContact CG2-CB 4.29Å; I21-L26 HydrophobicContact CG2-CD1 4.36Å; I21-L26 HydrophobicContact CG2-CD2 3.75Å; I21-L26 HydrophobicContact CG2-CG 3.62Å; I21-W43 HydrophobicContact CD1-CH2 4.43Å; I21-W43 HydrophobicContact CD1-CZ3 3.84Å; I21-I55 HydrophobicContact CB-CB 4.15Å; I21-I55 HydrophobicContact CG2-CD1 4.4Å; I21-I55 PolarHBondContact N-O 3.24Å; I21-I55 PolarHBondContact O-N 3.35Å |
| 22 | T | 91.8 | Very high | 90.1 | Very high | 27 Ų | 27 | 52.4 Ų | 52.4 | 17% | 0.166 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 168.1 | 171.3 | 67.4 | 0 | 0 | 0 | 0 | 111.5 | E24 D25 L26 | T22-E24 PolarHBondContact O-N 2.92Å; T22-E24 PolarHBondContact OG1-N 3.18Å; T22-D25 WeakPolarHBondContact CB-OD2 3.06Å; T22-D25 PolarHBondContact N-OD2 3.23Å; T22-D25 PolarHBondContact O-N 2.91Å; T22-D25 PolarHBondContact OG1-N 3.41Å; T22-D25 VanDerWaalsContact OG1-N 3.14Å; T22-D25 PolarHBondContact OG1-OD2 2.91Å; T22-L26 PolarHBondContact O-N 3.33Å; T22-L26 VanDerWaalsContact O-N 3.13Å |
| 23 | I | 91.6 | Very high | 89.8 | Confident | 27 Ų | 27 | 50.6 Ų | 50.6 | 14% | 0.138 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61 | -38.7 | 171.6 | -55.5 | -47.7 | 0 | 0 | 0 | 110.4 | D25 L26 E27 V40 K44 G53 | I23-D25 VanDerWaalsContact C-N 3.27Å; I23-D25 PolarHBondContact O-N 3.2Å; I23-L26 HydrophobicContact CD1-CD1 4.3Å; I23-L26 WeakPolarHBondContact O-CB 3.42Å; I23-L26 PolarHBondContact O-N 2.96Å; I23-E27 HydrophobicContact CG2-CG 4.42Å; I23-E27 WeakPolarHBondContact O-CG 3.36Å; I23-E27 PolarHBondContact O-N 3.17Å; I23-V40 HydrophobicContact CG2-CG1 4.31Å; I23-K44 HydrophobicContact CD1-CD 3.63Å; I23-K44 HydrophobicContact CD1-CG 3.54Å; I23-K44 HydrophobicContact CG1-CD 4.45Å; I23-G53 PolarHBondContact N-O 3.46Å |
| 24 | E | 90.7 | Very high | 89.6 | Confident | 70 Ų | 70 | 58 Ų | 58 | 33% | 0.327 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.3 | -34.7 | 176.2 | -66.7 | 83 | 174.2 | 0 | 0 | 112.1 | T22 R28 K103 | T22-E24 PolarHBondContact O-N 2.92Å; T22-E24 PolarHBondContact OG1-N 3.18Å; E24-R28 VanDerWaalsContact O-CB 3.24Å; E24-R28 WeakPolarHBondContact O-CB 3.42Å; E24-R28 PolarHBondContact O-N 3.3Å; E24-K103 IonicContact OE1-NZ 2.81Å; E24-K103 PolarHBondContact OE1-NZ 3.32Å |
| 25 | D | 93.4 | Very high | 89.5 | Confident | 10 Ų | 10 | 60 Ų | 60 | 5% | 0.053 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.8 | -43.2 | 174.3 | -60.8 | -48.2 | 0 | 0 | 0 | 112 | I13 I21 T22 I23 E27 R28 Y29 | I13-D25 HydrophobicContact CG2-CB 3.91Å; I21-D25 HydrophobicContact CG2-CB 4.29Å; T22-D25 WeakPolarHBondContact CB-OD2 3.06Å; T22-D25 PolarHBondContact N-OD2 3.23Å; T22-D25 PolarHBondContact O-N 2.91Å; T22-D25 PolarHBondContact OG1-N 3.41Å; T22-D25 VanDerWaalsContact OG1-N 3.14Å; T22-D25 PolarHBondContact OG1-OD2 2.91Å; I23-D25 VanDerWaalsContact C-N 3.27Å; I23-D25 PolarHBondContact O-N 3.2Å; D25-E27 VanDerWaalsContact C-N 3.33Å; D25-E27 PolarHBondContact O-N 2.98Å; D25-R28 PolarHBondContact O-N 2.9Å; D25-R28 IonicContact OD1-CZ 2.6Å; D25-R28 IonicContact OD1-NH1 3.93Å; D25-R28 IonicContact OD1-NH2 3.05Å; D25-Y29 WeakPolarHBondContact O-CB 3.32Å; D25-Y29 PolarHBondContact O-N 2.98Å |
| 26 | L | 94.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 173.7 | -69.4 | 173.4 | 0 | 0 | 0 | 111.5 | I13 I21 T22 I23 Y29 S30 F39 V40 W43 I55 | I13-L26 HydrophobicContact CD1-CD2 4.17Å; I13-L26 HydrophobicContact CG2-CD2 4.15Å; I21-L26 HydrophobicContact CG2-CD1 4.36Å; I21-L26 HydrophobicContact CG2-CD2 3.75Å; I21-L26 HydrophobicContact CG2-CG 3.62Å; T22-L26 PolarHBondContact O-N 3.33Å; T22-L26 VanDerWaalsContact O-N 3.13Å; I23-L26 HydrophobicContact CD1-CD1 4.3Å; I23-L26 WeakPolarHBondContact O-CB 3.42Å; I23-L26 PolarHBondContact O-N 2.96Å; L26-Y29 PolarHBondContact O-N 2.94Å; L26-S30 VanDerWaalsContact O-CB 3.25Å; L26-S30 WeakPolarHBondContact O-CB 3.37Å; L26-S30 PolarHBondContact O-N 3.42Å; L26-F39 HydrophobicContact CD2-CE1 3.88Å; L26-F39 HydrophobicContact CD2-CZ 4.41Å; L26-V40 HydrophobicContact CB-CG1 4.14Å; L26-V40 HydrophobicContact CB-CG2 4.17Å; L26-V40 HydrophobicContact CD1-CG1 4.32Å; L26-W43 HydrophobicContact CD1-CB 3.76Å; L26-W43 HydrophobicContact CD2-CB 3.91Å; L26-W43 HydrophobicContact CD2-CD2 3.71Å; L26-W43 HydrophobicContact CD2-CE3 3.68Å; L26-W43 HydrophobicContact CD2-CG 3.81Å; L26-W43 HydrophobicContact CD2-CZ3 4.43Å; L26-I55 HydrophobicContact CD1-CD1 3.95Å |
| 27 | E | 93.1 | Very high | 90.2 | Very high | 85 Ų | 85 | 63 Ų | 63 | 40% | 0.397 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 176.8 | -73.8 | -176.5 | -179.7 | 0 | 0 | 112 | I23 D25 S30 K31 V40 | I23-E27 HydrophobicContact CG2-CG 4.42Å; I23-E27 WeakPolarHBondContact O-CG 3.36Å; I23-E27 PolarHBondContact O-N 3.17Å; D25-E27 VanDerWaalsContact C-N 3.33Å; D25-E27 PolarHBondContact O-N 2.98Å; E27-S30 PolarHBondContact O-N 3.37Å; E27-K31 VanDerWaalsContact O-CG 3.29Å; E27-K31 WeakPolarHBondContact O-CG 3.28Å; E27-K31 PolarHBondContact O-N 3.19Å; E27-V40 HydrophobicContact CG-CG2 4.39Å |
| 28 | R | 92.7 | Very high | 90.8 | Very high | 114 Ų | 114 | 62.4 Ų | 62.4 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 176.5 | -175.8 | -170.2 | -59.5 | 164.7 | 7.6 | 111.1 | E24 D25 K31 K32 | E24-R28 VanDerWaalsContact O-CB 3.24Å; E24-R28 WeakPolarHBondContact O-CB 3.42Å; E24-R28 PolarHBondContact O-N 3.3Å; D25-R28 PolarHBondContact O-N 2.9Å; D25-R28 IonicContact OD1-CZ 2.6Å; D25-R28 IonicContact OD1-NH1 3.93Å; D25-R28 IonicContact OD1-NH2 3.05Å; R28-K31 PolarHBondContact O-N 3.36Å; R28-K32 WeakPolarHBondContact O-CG 3.27Å; R28-K32 PolarHBondContact O-N 3.06Å |
| 29 | Y | 94.2 | Very high | 91.3 | Very high | 53 Ų | 53 | 62.7 Ų | 62.7 | 21% | 0.208 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64 | -45.8 | 176.5 | -177.9 | -99 | 0 | 0 | 0 | 111 | L12 I13 D25 L26 K31 K32 S33 V35 F39 | L12-Y29 HydrophobicContact CB-CE2 3.94Å; I13-Y29 HydrophobicContact CD1-CD1 4.43Å; I13-Y29 HydrophobicContact CG1-CD1 3.96Å; I13-Y29 HydrophobicContact CG1-CD2 3.86Å; I13-Y29 HydrophobicContact CG1-CE1 4.35Å; I13-Y29 HydrophobicContact CG1-CE2 4.28Å; I13-Y29 HydrophobicContact CG1-CG 3.69Å; D25-Y29 WeakPolarHBondContact O-CB 3.32Å; D25-Y29 PolarHBondContact O-N 2.98Å; L26-Y29 PolarHBondContact O-N 2.94Å; Y29-K31 VanDerWaalsContact C-N 3.3Å; Y29-K31 PolarHBondContact O-N 3.11Å; Y29-K32 PolarHBondContact O-N 3.43Å; Y29-K32 VanDerWaalsContact O-N 3.09Å; Y29-S33 WeakPolarHBondContact CE2-OG 3.39Å; Y29-S33 VanDerWaalsContact O-CB 3.3Å; Y29-S33 WeakPolarHBondContact O-CB 3.42Å; Y29-S33 PolarHBondContact O-N 2.98Å; Y29-S33 PolarHBondContact O-OG 3.37Å; Y29-V35 HydrophobicContact CD1-CG1 4.33Å; Y29-V35 HydrophobicContact CE1-CG1 3.8Å; Y29-F39 AromaticContact CD1-CE1 3.77Å; Y29-F39 HydrophobicContact CD1-CE1 3.77Å; Y29-F39 AromaticContact CD1-CZ 3.68Å; Y29-F39 HydrophobicContact CD1-CZ 3.68Å; Y29-F39 HydrophobicContact CE1-CE1 4.36Å; Y29-F39 HydrophobicContact CE1-CE2 4.33Å; Y29-F39 AromaticContact CE1-CZ 3.83Å; Y29-F39 HydrophobicContact CE1-CZ 3.83Å |
| 30 | S | 92.8 | Very high | 91.6 | Very high | 33 Ų | 33 | 63.9 Ų | 63.9 | 23% | 0.231 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.4 | -39.6 | 177.5 | -178.6 | 0 | 0 | 0 | 0 | 112.6 | L26 E27 K32 V35 | L26-S30 VanDerWaalsContact O-CB 3.25Å; L26-S30 WeakPolarHBondContact O-CB 3.37Å; L26-S30 PolarHBondContact O-N 3.42Å; E27-S30 PolarHBondContact O-N 3.37Å; S30-K32 VanDerWaalsContact C-N 3.34Å; S30-K32 PolarHBondContact O-N 2.84Å; S30-V35 WeakPolarHBondContact OG-CG2 3.27Å |
| 31 | K | 91.8 | Very high | 91.8 | Very high | 169 Ų | 169 | 69.6 Ų | 69.6 | 74% | 0.735 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -69.6 | -26 | 176.8 | -72.8 | 168.7 | -175 | 166.4 | 0 | 114.1 | E27 R28 Y29 | E27-K31 VanDerWaalsContact O-CG 3.29Å; E27-K31 WeakPolarHBondContact O-CG 3.28Å; E27-K31 PolarHBondContact O-N 3.19Å; R28-K31 PolarHBondContact O-N 3.36Å; Y29-K31 VanDerWaalsContact C-N 3.3Å; Y29-K31 PolarHBondContact O-N 3.11Å |
| 32 | K | 90 | Very high | 91.8 | Very high | 170 Ų | 170 | 74.4 Ų | 74.4 | 74% | 0.739 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -97.3 | -19.9 | -176.6 | -71.3 | -179.1 | 179.8 | -177.7 | 0 | 113.6 | R28 Y29 S30 | R28-K32 WeakPolarHBondContact O-CG 3.27Å; R28-K32 PolarHBondContact O-N 3.06Å; Y29-K32 PolarHBondContact O-N 3.43Å; Y29-K32 VanDerWaalsContact O-N 3.09Å; S30-K32 VanDerWaalsContact C-N 3.34Å; S30-K32 PolarHBondContact O-N 2.84Å |
| 33 | S | 85.2 | Confident | 91.9 | Very high | 41 Ų | 41 | 74.4 Ų | 74.4 | 29% | 0.287 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -116.6 | 154.5 | -172.4 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | Y29 V35 | Y29-S33 WeakPolarHBondContact CE2-OG 3.39Å; Y29-S33 VanDerWaalsContact O-CB 3.3Å; Y29-S33 WeakPolarHBondContact O-CB 3.42Å; Y29-S33 PolarHBondContact O-N 2.98Å; Y29-S33 PolarHBondContact O-OG 3.37Å; S33-V35 VanDerWaalsContact C-N 3.33Å; S33-V35 PolarHBondContact O-N 3.16Å |
| 34 | T | 88.1 | Confident | 92.1 | Very high | 158 Ų | 158 | 76.4 Ų | 76.4 | 97% | 0.969 | 38% | 0.384 | S | S | * | . | trans | -82.6 | 82.1 | 171.7 | 10.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 35 | V | 89.2 | Confident | 92.2 | Very high | 42 Ų | 42 | 83.1 Ų | 83.1 | 26% | 0.255 | 41% | 0.407 | S | S | . | . | trans | -109.7 | 166.5 | 173.3 | -60.6 | 0 | 0 | 0 | 0 | 110.7 | Y29 S30 S33 F39 | Y29-V35 HydrophobicContact CD1-CG1 4.33Å; Y29-V35 HydrophobicContact CE1-CG1 3.8Å; S30-V35 WeakPolarHBondContact OG-CG2 3.27Å; S33-V35 VanDerWaalsContact C-N 3.33Å; S33-V35 PolarHBondContact O-N 3.16Å; V35-F39 HydrophobicContact CB-CB 3.93Å; V35-F39 HydrophobicContact CB-CD2 3.84Å; V35-F39 HydrophobicContact CB-CE2 4.49Å; V35-F39 HydrophobicContact CB-CG 3.87Å; V35-F39 HydrophobicContact CG1-CD2 3.93Å; V35-F39 HydrophobicContact CG1-CE2 4.08Å; V35-F39 HydrophobicContact CG1-CG 4.27Å; V35-F39 HydrophobicContact CG2-CB 3.67Å; V35-F39 HydrophobicContact CG2-CD1 4.08Å; V35-F39 HydrophobicContact CG2-CD2 4.23Å; V35-F39 HydrophobicContact CG2-CG 3.74Å | ||
| 36 | A | 91.6 | Very high | 92.2 | Very high | 56 Ų | 56 | 87.4 Ų | 87.4 | 46% | 0.463 | 43% | 0.429 | S | S | . | . | trans | -68.4 | 150.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D38 F39 | A36-D38 WeakPolarHBondContact CB-OD1 3.36Å; A36-D38 PolarHBondContact O-N 3.34Å; A36-D38 VanDerWaalsContact O-N 3.1Å; A36-F39 WeakPolarHBondContact O-CB 3.43Å; A36-F39 PolarHBondContact O-N 3.04Å | ||
| 37 | D | 90.3 | Very high | 92.1 | Very high | 170 Ų | 170 | 88 Ų | 88 | 91% | 0.909 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -29.6 | -179.8 | -65.1 | -19.9 | 0 | 0 | 0 | 113.1 | F39 | D37-F39 VanDerWaalsContact C-N 3.32Š|
| 38 | D | 93.4 | Very high | 92.2 | Very high | 62 Ų | 62 | 84.2 Ų | 84.2 | 33% | 0.332 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 9.8 | 178.3 | 70 | -7.9 | 0 | 0 | 0 | 114 | A36 V40 I41 K42 | A36-D38 WeakPolarHBondContact CB-OD1 3.36Å; A36-D38 PolarHBondContact O-N 3.34Å; A36-D38 VanDerWaalsContact O-N 3.1Å; D38-V40 PolarHBondContact O-N 3.06Å; D38-I41 PolarHBondContact O-N 3.21Å; D38-K42 VanDerWaalsContact CG-CE 3.42Å; D38-K42 WeakPolarHBondContact O-CB 3.35Å; D38-K42 WeakPolarHBondContact O-CG 3.47Å; D38-K42 PolarHBondContact O-N 2.7Å; D38-K42 WeakPolarHBondContact OD1-CE 3.47Å; D38-K42 IonicContact OD1-NZ 2.77Å; D38-K42 PolarHBondContact OD1-NZ 2.98Å; D38-K42 WeakPolarHBondContact OD2-CE 3.49Å; D38-K42 IonicContact OD2-NZ 2.74Å; D38-K42 PolarHBondContact OD2-NZ 3.41Å |
| 39 | F | 93.4 | Very high | 92 | Very high | 30 Ų | 30 | 84.9 Ų | 84.9 | 13% | 0.132 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -54.5 | -52.1 | -176.9 | 174.4 | -95.3 | 0 | 0 | 0 | 112.6 | I13 L26 Y29 V35 A36 D37 I41 K42 W43 | I13-F39 HydrophobicContact CD1-CZ 4.1Å; L26-F39 HydrophobicContact CD2-CE1 3.88Å; L26-F39 HydrophobicContact CD2-CZ 4.41Å; Y29-F39 AromaticContact CD1-CE1 3.77Å; Y29-F39 HydrophobicContact CD1-CE1 3.77Å; Y29-F39 AromaticContact CD1-CZ 3.68Å; Y29-F39 HydrophobicContact CD1-CZ 3.68Å; Y29-F39 HydrophobicContact CE1-CE1 4.36Å; Y29-F39 HydrophobicContact CE1-CE2 4.33Å; Y29-F39 AromaticContact CE1-CZ 3.83Å; Y29-F39 HydrophobicContact CE1-CZ 3.83Å; V35-F39 HydrophobicContact CB-CB 3.93Å; V35-F39 HydrophobicContact CB-CD2 3.84Å; V35-F39 HydrophobicContact CB-CE2 4.49Å; V35-F39 HydrophobicContact CB-CG 3.87Å; V35-F39 HydrophobicContact CG1-CD2 3.93Å; V35-F39 HydrophobicContact CG1-CE2 4.08Å; V35-F39 HydrophobicContact CG1-CG 4.27Å; V35-F39 HydrophobicContact CG2-CB 3.67Å; V35-F39 HydrophobicContact CG2-CD1 4.08Å; V35-F39 HydrophobicContact CG2-CD2 4.23Å; V35-F39 HydrophobicContact CG2-CG 3.74Å; A36-F39 WeakPolarHBondContact O-CB 3.43Å; A36-F39 PolarHBondContact O-N 3.04Å; D37-F39 VanDerWaalsContact C-N 3.32Å; F39-I41 VanDerWaalsContact C-N 3.32Å; F39-I41 PolarHBondContact O-N 2.96Å; F39-K42 PolarHBondContact O-N 2.95Å; F39-W43 AromaticContact CD2-CD1 3.87Å; F39-W43 AromaticContact CD2-NE1 3.82Å; F39-W43 HydrophobicContact CE1-CG 4.49Å; F39-W43 AromaticContact CE2-CD1 3.57Å; F39-W43 AromaticContact CE2-CE2 3.99Å; F39-W43 AromaticContact CE2-NE1 3.11Å; F39-W43 AromaticContact CZ-CD1 3.64Å; F39-W43 HydrophobicContact CZ-CD2 4.37Å; F39-W43 AromaticContact CZ-CE2 3.76Å; F39-W43 HydrophobicContact CZ-CG 4.31Å; F39-W43 HydrophobicContact CZ-CZ2 4.32Å; F39-W43 AromaticContact CZ-NE1 3.27Å; F39-W43 VanDerWaalsContact CZ-NE1 3.27Å; F39-W43 PolarHBondContact O-N 2.86Å |
| 40 | V | 93.8 | Very high | 91.7 | Very high | 24 Ų | 24 | 88.5 Ų | 88.5 | 15% | 0.145 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | -179.1 | -177.2 | 0 | 0 | 0 | 0 | 110.4 | I23 L26 E27 D38 K42 W43 K44 | I23-V40 HydrophobicContact CG2-CG1 4.31Å; L26-V40 HydrophobicContact CB-CG1 4.14Å; L26-V40 HydrophobicContact CB-CG2 4.17Å; L26-V40 HydrophobicContact CD1-CG1 4.32Å; E27-V40 HydrophobicContact CG-CG2 4.39Å; D38-V40 PolarHBondContact O-N 3.06Å; V40-K42 VanDerWaalsContact C-N 3.34Å; V40-K42 PolarHBondContact O-N 2.89Å; V40-W43 PolarHBondContact O-N 3.21Å; V40-K44 HydrophobicContact CG1-CD 4.33Å; V40-K44 WeakPolarHBondContact O-CG 3.2Å; V40-K44 PolarHBondContact O-N 3.2Å |
| 41 | I | 93.7 | Very high | 91.4 | Very high | 120 Ų | 120 | 92.7 Ų | 92.7 | 62% | 0.615 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.2 | -43.3 | 179.3 | -60.9 | 172.8 | 0 | 0 | 0 | 110.5 | D38 F39 R45 | D38-I41 PolarHBondContact O-N 3.21Å; F39-I41 VanDerWaalsContact C-N 3.32Å; F39-I41 PolarHBondContact O-N 2.96Å; I41-R45 WeakPolarHBondContact O-CB 3.38Å; I41-R45 PolarHBondContact O-N 2.72Å |
| 42 | K | 93.3 | Very high | 91.2 | Very high | 102 Ų | 102 | 87.4 Ų | 87.4 | 44% | 0.443 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63 | -46.7 | 176.8 | -79.2 | 172.7 | 170.6 | 151.3 | 0 | 112 | D38 F39 V40 R45 L46 | D38-K42 VanDerWaalsContact CG-CE 3.42Å; D38-K42 WeakPolarHBondContact O-CB 3.35Å; D38-K42 WeakPolarHBondContact O-CG 3.47Å; D38-K42 PolarHBondContact O-N 2.7Å; D38-K42 WeakPolarHBondContact OD1-CE 3.47Å; D38-K42 IonicContact OD1-NZ 2.77Å; D38-K42 PolarHBondContact OD1-NZ 2.98Å; D38-K42 WeakPolarHBondContact OD2-CE 3.49Å; D38-K42 IonicContact OD2-NZ 2.74Å; D38-K42 PolarHBondContact OD2-NZ 3.41Å; F39-K42 PolarHBondContact O-N 2.95Å; V40-K42 VanDerWaalsContact C-N 3.34Å; V40-K42 PolarHBondContact O-N 2.89Å; K42-R45 PolarHBondContact O-N 3.1Å; K42-L46 WeakPolarHBondContact O-CB 3.45Å; K42-L46 VanDerWaalsContact O-CG 3.28Å; K42-L46 WeakPolarHBondContact O-CG 3.3Å; K42-L46 PolarHBondContact O-N 3.17Å |
| 43 | W | 94 | Very high | 91.1 | Very high | 26 Ų | 26 | 79.8 Ų | 79.8 | 10% | 0.098 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.2 | -46 | 179 | -89.3 | 70.1 | 0 | 0 | 0 | 112 | A9 I13 I21 L26 F39 V40 R45 L46 F47 I55 F60 | A9-W43 HydrophobicContact CB-CH2 4.33Å; A9-W43 HydrophobicContact CB-CZ2 4.17Å; I13-W43 HydrophobicContact CD1-CE3 4.41Å; I13-W43 HydrophobicContact CD1-CH2 3.41Å; I13-W43 VanDerWaalsContact CD1-CH2 3.41Å; I13-W43 HydrophobicContact CD1-CZ2 3.57Å; I13-W43 HydrophobicContact CD1-CZ3 3.87Å; I21-W43 HydrophobicContact CD1-CH2 4.43Å; I21-W43 HydrophobicContact CD1-CZ3 3.84Å; L26-W43 HydrophobicContact CD1-CB 3.76Å; L26-W43 HydrophobicContact CD2-CB 3.91Å; L26-W43 HydrophobicContact CD2-CD2 3.71Å; L26-W43 HydrophobicContact CD2-CE3 3.68Å; L26-W43 HydrophobicContact CD2-CG 3.81Å; L26-W43 HydrophobicContact CD2-CZ3 4.43Å; F39-W43 AromaticContact CD2-CD1 3.87Å; F39-W43 AromaticContact CD2-NE1 3.82Å; F39-W43 HydrophobicContact CE1-CG 4.49Å; F39-W43 AromaticContact CE2-CD1 3.57Å; F39-W43 AromaticContact CE2-CE2 3.99Å; F39-W43 AromaticContact CE2-NE1 3.11Å; F39-W43 AromaticContact CZ-CD1 3.64Å; F39-W43 HydrophobicContact CZ-CD2 4.37Å; F39-W43 AromaticContact CZ-CE2 3.76Å; F39-W43 HydrophobicContact CZ-CG 4.31Å; F39-W43 HydrophobicContact CZ-CZ2 4.32Å; F39-W43 AromaticContact CZ-NE1 3.27Å; F39-W43 VanDerWaalsContact CZ-NE1 3.27Å; F39-W43 PolarHBondContact O-N 2.86Å; V40-W43 PolarHBondContact O-N 3.21Å; W43-R45 VanDerWaalsContact C-N 3.33Å; W43-R45 PolarHBondContact O-N 2.89Å; W43-L46 PolarHBondContact O-N 3.39Å; W43-F47 HydrophobicContact CD2-CD2 4.03Å; W43-F47 HydrophobicContact CD2-CE2 4.04Å; W43-F47 AromaticContact CE3-CD2 3.71Å; W43-F47 HydrophobicContact CE3-CD2 3.71Å; W43-F47 AromaticContact CE3-CE2 3.97Å; W43-F47 HydrophobicContact CE3-CE2 3.97Å; W43-F47 HydrophobicContact CG-CD2 4.42Å; W43-F47 HydrophobicContact CZ3-CD2 4.25Å; W43-F47 HydrophobicContact CZ3-CE2 4.28Å; W43-F47 PolarHBondContact O-N 3.04Å; W43-I55 HydrophobicContact CB-CD1 4.47Å; W43-I55 HydrophobicContact CE3-CD1 3.96Å; W43-F60 HydrophobicContact CE3-CE2 4.44Å; W43-F60 AromaticContact CH2-CE2 3.54Å; W43-F60 HydrophobicContact CH2-CE2 3.54Å; W43-F60 AromaticContact CH2-CZ 3.93Å; W43-F60 HydrophobicContact CH2-CZ 3.93Å; W43-F60 HydrophobicContact CZ2-CE2 4.48Å; W43-F60 HydrophobicContact CZ3-CD2 4.09Å; W43-F60 AromaticContact CZ3-CE2 3.51Å; W43-F60 HydrophobicContact CZ3-CE2 3.51Å; W43-F60 HydrophobicContact CZ3-CZ 4.3Å |
| 44 | K | 94.1 | Very high | 91.4 | Very high | 69 Ų | 69 | 79.3 Ų | 79.3 | 30% | 0.3 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.2 | -47.4 | 174.6 | -71.9 | -175.7 | 70.2 | 172.1 | 0 | 112 | I23 V40 L46 D48 | I23-K44 HydrophobicContact CD1-CD 3.63Å; I23-K44 HydrophobicContact CD1-CG 3.54Å; I23-K44 HydrophobicContact CG1-CD 4.45Å; V40-K44 HydrophobicContact CG1-CD 4.33Å; V40-K44 WeakPolarHBondContact O-CG 3.2Å; V40-K44 PolarHBondContact O-N 3.2Å; K44-L46 VanDerWaalsContact C-N 3.25Å; K44-L46 PolarHBondContact O-N 3.35Å; K44-D48 CarbonylContact O-C 3.51Å; K44-D48 VanDerWaalsContact O-C 3.25Å; K44-D48 WeakPolarHBondContact O-CA 3.4Å; K44-D48 WeakPolarHBondContact O-CB 3.37Å; K44-D48 PolarHBondContact O-N 3.19Å |
| 45 | R | 93.7 | Very high | 91.6 | Very high | 211 Ų | 211 | 71.8 Ų | 71.8 | 80% | 0.796 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.7 | -32.2 | -179.6 | -177.3 | 176.9 | 175.9 | -178.7 | -0.1 | 113.2 | I41 K42 W43 | I41-R45 WeakPolarHBondContact O-CB 3.38Å; I41-R45 PolarHBondContact O-N 2.72Å; K42-R45 PolarHBondContact O-N 3.1Å; W43-R45 VanDerWaalsContact C-N 3.33Å; W43-R45 PolarHBondContact O-N 2.89Å |
| 46 | L | 93 | Very high | 91.6 | Very high | 100 Ų | 100 | 71 Ų | 71 | 52% | 0.524 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -88.7 | -36.1 | -176 | -70.8 | 171.9 | 0 | 0 | 0 | 113.3 | K42 W43 K44 | K42-L46 WeakPolarHBondContact O-CB 3.45Å; K42-L46 VanDerWaalsContact O-CG 3.28Å; K42-L46 WeakPolarHBondContact O-CG 3.3Å; K42-L46 PolarHBondContact O-N 3.17Å; W43-L46 PolarHBondContact O-N 3.39Å; K44-L46 VanDerWaalsContact C-N 3.25Å; K44-L46 PolarHBondContact O-N 3.35Å |
| 47 | F | 93.9 | Very high | 91.5 | Very high | 13 Ų | 13 | 68.4 Ų | 68.4 | 6% | 0.057 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -128 | 1 | -166.9 | -53.5 | -68.9 | 0 | 0 | 0 | 114.3 | W43 I55 H59 F60 V63 L64 | W43-F47 HydrophobicContact CD2-CD2 4.03Å; W43-F47 HydrophobicContact CD2-CE2 4.04Å; W43-F47 AromaticContact CE3-CD2 3.71Å; W43-F47 HydrophobicContact CE3-CD2 3.71Å; W43-F47 AromaticContact CE3-CE2 3.97Å; W43-F47 HydrophobicContact CE3-CE2 3.97Å; W43-F47 HydrophobicContact CG-CD2 4.42Å; W43-F47 HydrophobicContact CZ3-CD2 4.25Å; W43-F47 HydrophobicContact CZ3-CE2 4.28Å; W43-F47 PolarHBondContact O-N 3.04Å; F47-I55 HydrophobicContact CB-CB 4.36Å; F47-I55 HydrophobicContact CB-CD1 3.85Å; F47-I55 HydrophobicContact CB-CG1 3.87Å; F47-I55 HydrophobicContact CB-CG2 3.6Å; F47-I55 HydrophobicContact CG-CG2 4.32Å; F47-H59 PolarHBondContact O-CD2 3.09Å; F47-H59 PolarHBondContact O-NE2 3.18Å; F47-H59 VanDerWaalsContact O-NE2 3.13Å; F47-F60 AromaticContact CD1-CD2 3.67Å; F47-F60 HydrophobicContact CD1-CD2 3.67Å; F47-F60 HydrophobicContact CD1-CE2 4.26Å; F47-F60 HydrophobicContact CD2-CD2 4.15Å; F47-F60 HydrophobicContact CD2-CE2 4.22Å; F47-F60 AromaticContact CE1-CD2 3.6Å; F47-F60 HydrophobicContact CE1-CD2 3.6Å; F47-F60 AromaticContact CE1-CE2 3.81Å; F47-F60 HydrophobicContact CE1-CE2 3.81Å; F47-F60 HydrophobicContact CE2-CD2 4.1Å; F47-F60 AromaticContact CE2-CE2 3.77Å; F47-F60 HydrophobicContact CE2-CE2 3.77Å; F47-F60 AromaticContact CG-CD2 3.95Å; F47-F60 HydrophobicContact CG-CD2 3.95Å; F47-F60 HydrophobicContact CG-CE2 4.45Å; F47-F60 AromaticContact CZ-CD2 3.83Å; F47-F60 HydrophobicContact CZ-CD2 3.83Å; F47-F60 AromaticContact CZ-CE2 3.55Å; F47-F60 HydrophobicContact CZ-CE2 3.55Å; F47-V63 HydrophobicContact CD1-CB 3.84Å; F47-V63 HydrophobicContact CD1-CG1 3.67Å; F47-V63 HydrophobicContact CD1-CG2 4.21Å; F47-V63 HydrophobicContact CE1-CB 4Å; F47-V63 HydrophobicContact CE1-CG1 3.61Å; F47-L64 HydrophobicContact CE1-CD2 4.11Å; F47-L64 HydrophobicContact CE1-CG 4.16Å; F47-L64 HydrophobicContact CZ-CD2 4.21Å |
| 48 | D | 93.6 | Very high | 91.5 | Very high | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.027 | 30% | 0.299 | C | S | . | . | trans | -134.4 | 50.3 | 176.6 | -174.2 | 34 | 0 | 0 | 0 | 109.1 | K44 D50 N51 T52 G53 I55 | K44-D48 CarbonylContact O-C 3.51Å; K44-D48 VanDerWaalsContact O-C 3.25Å; K44-D48 WeakPolarHBondContact O-CA 3.4Å; K44-D48 WeakPolarHBondContact O-CB 3.37Å; K44-D48 PolarHBondContact O-N 3.19Å; D48-D50 PolarHBondContact O-N 3.36Å; D48-N51 WeakPolarHBondContact O-CA 3.25Å; D48-N51 PolarHBondContact O-N 3.44Å; D48-T52 WeakPolarHBondContact OD1-CA 3.3Å; D48-T52 WeakPolarHBondContact OD1-CB 3.5Å; D48-T52 PolarHBondContact OD1-N 2.86Å; D48-T52 PolarHBondContact OD1-OG1 3.27Å; D48-G53 VanDerWaalsContact CG-N 3.31Å; D48-G53 PolarHBondContact OD1-N 2.9Å; D48-G53 VanDerWaalsContact OD1-N 3.09Å; D48-G53 VanDerWaalsContact OD2-CA 3.27Å; D48-G53 WeakPolarHBondContact OD2-CA 3.35Å; D48-G53 PolarHBondContact OD2-N 3.47Å; D48-I55 HydrophobicContact CB-CG1 4.1Å | ||
| 49 | E | 89.6 | Confident | 91.4 | Very high | 129 Ų | 129 | 60.9 Ų | 60.9 | 60% | 0.603 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -33.8 | -175.1 | 62.3 | -176.5 | 170.1 | 0 | 0 | 112.7 | N51 H59 | E49-N51 PolarHBondContact O-N 3.34Å; E49-N51 PolarHBondContact O-ND2 3.4Å; E49-H59 IonicContact OE1-CE1 3.87Å |
| 50 | D | 87.7 | Confident | 91.3 | Very high | 129 Ų | 129 | 59.4 Ų | 59.4 | 69% | 0.69 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 2.3 | 177.3 | -70.6 | -33.8 | 0 | 0 | 0 | 113.4 | D48 T52 | D48-D50 PolarHBondContact O-N 3.36Å; D50-T52 HydrophobicContact CB-CG2 3.75Å; D50-T52 PolarHBondContact O-N 2.98Å |
| 51 | N | 86.8 | Confident | 91.2 | Very high | 120 Ų | 120 | 58.3 Ų | 58.3 | 64% | 0.642 | 28% | 0.282 | S | S | * | . | trans | 50.2 | 39.8 | -175.8 | -63.5 | -83.4 | 0 | 0 | 0 | 112.7 | D48 E49 G53 | D48-N51 WeakPolarHBondContact O-CA 3.25Å; D48-N51 PolarHBondContact O-N 3.44Å; E49-N51 PolarHBondContact O-N 3.34Å; E49-N51 PolarHBondContact O-ND2 3.4Å; N51-G53 PolarHBondContact O-N 3.44Å | ||
| 52 | T | 86.5 | Confident | 91 | Very high | 59 Ų | 59 | 56.7 Ų | 56.7 | 36% | 0.362 | 27% | 0.274 | S | S | . | . | trans | -66.3 | -28.6 | 174.6 | 73.1 | 0 | 0 | 0 | 0 | 110.7 | D48 D50 E54 R106 | D48-T52 WeakPolarHBondContact OD1-CA 3.3Å; D48-T52 WeakPolarHBondContact OD1-CB 3.5Å; D48-T52 PolarHBondContact OD1-N 2.86Å; D48-T52 PolarHBondContact OD1-OG1 3.27Å; D50-T52 HydrophobicContact CB-CG2 3.75Å; D50-T52 PolarHBondContact O-N 2.98Å; T52-E54 VanDerWaalsContact C-N 3.27Å; T52-E54 PolarHBondContact OG1-N 2.95Å; T52-E54 PolarHBondContact OG1-O 3.09Å; T52-R106 PolarHBondContact O-NH2 3.29Å | ||
| 53 | G | 88.8 | Confident | 90.9 | Very high | 10 Ų | 10 | 55 Ų | 55 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 79 | 8.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I23 D48 N51 | I23-G53 PolarHBondContact N-O 3.46Å; D48-G53 VanDerWaalsContact CG-N 3.31Å; D48-G53 PolarHBondContact OD1-N 2.9Å; D48-G53 VanDerWaalsContact OD1-N 3.09Å; D48-G53 VanDerWaalsContact OD2-CA 3.27Å; D48-G53 WeakPolarHBondContact OD2-CA 3.35Å; D48-G53 PolarHBondContact OD2-N 3.47Å; N51-G53 PolarHBondContact O-N 3.44Å |
| 54 | E | 90.2 | Very high | 90.8 | Very high | 31 Ų | 31 | 56.3 Ų | 56.3 | 15% | 0.145 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 128.9 | 178.7 | -71.5 | 173.9 | -125.3 | 0 | 0 | 109.8 | V20 T52 R106 Y110 | V20-E54 HydrophobicContact CG1-CB 3.75Å; V20-E54 HydrophobicContact CG1-CG 3.85Å; T52-E54 VanDerWaalsContact C-N 3.27Å; T52-E54 PolarHBondContact OG1-N 2.95Å; T52-E54 PolarHBondContact OG1-O 3.09Å; E54-R106 WeakPolarHBondContact OE1-CD 3.38Å; E54-R106 WeakPolarHBondContact OE1-CG 3.12Å; E54-R106 IonicContact OE1-CZ 2.74Å; E54-R106 IonicContact OE1-NE 3.02Å; E54-R106 PolarHBondContact OE1-NE 3.33Å; E54-R106 IonicContact OE1-NH2 3.33Å; E54-R106 PolarHBondContact OE1-NH2 2.89Å; E54-Y110 PolarHBondContact OE2-OH 3.37Å |
| 55 | I | 92.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 99.4 | 172.2 | -59.4 | 166.1 | 0 | 0 | 0 | 107.1 | I21 L26 W43 F47 D48 F60 | I21-I55 HydrophobicContact CB-CB 4.15Å; I21-I55 HydrophobicContact CG2-CD1 4.4Å; I21-I55 PolarHBondContact N-O 3.24Å; I21-I55 PolarHBondContact O-N 3.35Å; L26-I55 HydrophobicContact CD1-CD1 3.95Å; W43-I55 HydrophobicContact CB-CD1 4.47Å; W43-I55 HydrophobicContact CE3-CD1 3.96Å; F47-I55 HydrophobicContact CB-CB 4.36Å; F47-I55 HydrophobicContact CB-CD1 3.85Å; F47-I55 HydrophobicContact CB-CG1 3.87Å; F47-I55 HydrophobicContact CB-CG2 3.6Å; F47-I55 HydrophobicContact CG-CG2 4.32Å; D48-I55 HydrophobicContact CB-CG1 4.1Å; I55-F60 HydrophobicContact CG2-CB 4.07Å; I55-F60 HydrophobicContact CG2-CD2 4.19Å |
| 56 | T | 90.2 | Very high | 90.5 | Very high | 24 Ų | 24 | 46.3 Ų | 46.3 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 149.4 | 177.9 | 71.8 | 0 | 0 | 0 | 0 | 110.7 | G19 V20 I58 H59 F60 | G19-T56 CarbonylContact O-C 3.58Å; G19-T56 WeakPolarHBondContact O-CA 3.35Å; V20-T56 HydrophobicContact CG2-CG2 4.29Å; T56-I58 PolarHBondContact O-N 3.09Å; T56-H59 PolarHBondContact O-N 2.9Å; T56-H59 WeakPolarHBondContact OG1-CB 3.46Å; T56-H59 PolarHBondContact OG1-N 3.45Å; T56-H59 VanDerWaalsContact OG1-N 3.1Å; T56-F60 VanDerWaalsContact O-CB 3.27Å; T56-F60 WeakPolarHBondContact O-CB 3.48Å; T56-F60 PolarHBondContact O-N 3.33Å |
| 57 | F | 90.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.3 | -35.3 | 175.6 | -177.8 | -102.2 | 0 | 0 | 0 | 112.4 | L7 F10 G19 C61 R71 I74 L75 I80 | L7-F57 HydrophobicContact CD2-CE2 4.05Å; L7-F57 HydrophobicContact CD2-CZ 4.23Å; F10-F57 AromaticContact CD1-CD2 3.7Å; F10-F57 HydrophobicContact CD1-CD2 3.7Å; F10-F57 HydrophobicContact CD1-CE2 4.41Å; F10-F57 HydrophobicContact CD2-CD2 4.21Å; F10-F57 HydrophobicContact CE1-CB 3.94Å; F10-F57 AromaticContact CE1-CD2 3.75Å; F10-F57 HydrophobicContact CE1-CD2 3.75Å; F10-F57 HydrophobicContact CE1-CG 4.31Å; F10-F57 HydrophobicContact CE2-CB 4.15Å; F10-F57 HydrophobicContact CE2-CD2 4.27Å; F10-F57 AromaticContact CG-CD2 3.95Å; F10-F57 HydrophobicContact CG-CD2 3.95Å; F10-F57 HydrophobicContact CZ-CB 3.64Å; F10-F57 HydrophobicContact CZ-CD2 4.06Å; F10-F57 HydrophobicContact CZ-CG 4.37Å; G19-F57 PolarHBondContact O-N 3.13Å; F57-C61 VanDerWaalsContact CE1-SG 3.56Å; F57-C61 WeakPolarHBondContact CZ-SG 3.47Å; F57-C61 WeakPolarHBondContact O-CB 3.37Å; F57-C61 PolarHBondContact O-N 3.09Å; F57-C61 PolarHBondContact O-SG 3.48Å; F57-R71 HydrophobicContact CD1-CG 4.35Å; F57-R71 HydrophobicContact CE1-CG 3.87Å; F57-I74 HydrophobicContact CE1-CB 4.36Å; F57-I74 HydrophobicContact CE1-CG2 4.16Å; F57-I74 HydrophobicContact CE2-CG2 4.11Å; F57-I74 HydrophobicContact CZ-CB 3.92Å; F57-I74 HydrophobicContact CZ-CD1 4.26Å; F57-I74 HydrophobicContact CZ-CG2 3.42Å; F57-I74 VanDerWaalsContact CZ-CG2 3.42Å; F57-L75 HydrophobicContact CD1-CD2 3.47Å; F57-L75 VanDerWaalsContact CD1-CD2 3.47Å; F57-L75 HydrophobicContact CD1-CG 3.91Å; F57-L75 HydrophobicContact CE1-CD2 3.87Å; F57-L75 HydrophobicContact CE1-CG 3.82Å; F57-L75 HydrophobicContact CG-CD2 4.39Å; F57-I80 HydrophobicContact CD2-CD1 4.21Å; F57-I80 HydrophobicContact CE2-CD1 4.36Å; F57-I80 HydrophobicContact CG-CD1 4.35Å |
| 58 | I | 89.1 | Confident | 90.1 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 11% | 0.113 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.1 | -54.2 | 177.1 | -57.3 | -59.5 | 0 | 0 | 0 | 110.5 | T56 F60 C61 D62 R71 L75 I82 | T56-I58 PolarHBondContact O-N 3.09Å; I58-F60 VanDerWaalsContact C-N 3.31Å; I58-F60 PolarHBondContact O-N 3.15Å; I58-C61 WeakPolarHBondContact O-CB 3.27Å; I58-C61 PolarHBondContact O-N 2.85Å; I58-D62 PolarHBondContact O-N 3.32Å; I58-R71 HydrophobicContact CD1-CG 4.13Å; I58-L75 HydrophobicContact CD1-CD1 3.88Å; I58-I82 HydrophobicContact CD1-CD1 4.25Å; I58-I82 HydrophobicContact CD1-CG1 4.45Å; I58-I82 HydrophobicContact CD1-CG2 4.27Å; I58-I82 HydrophobicContact CG1-CG2 3.85Å |
| 59 | H | 90.9 | Very high | 89.9 | Confident | 51 Ų | 51 | 57.9 Ų | 57.9 | 24% | 0.236 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.1 | -41.4 | -180 | 179.4 | 74.4 | 0 | 0 | 0 | 111.3 | F47 E49 T56 C61 D62 V63 | F47-H59 PolarHBondContact O-CD2 3.09Å; F47-H59 PolarHBondContact O-NE2 3.18Å; F47-H59 VanDerWaalsContact O-NE2 3.13Å; E49-H59 IonicContact OE1-CE1 3.87Å; T56-H59 PolarHBondContact O-N 2.9Å; T56-H59 WeakPolarHBondContact OG1-CB 3.46Å; T56-H59 PolarHBondContact OG1-N 3.45Å; T56-H59 VanDerWaalsContact OG1-N 3.1Å; H59-C61 VanDerWaalsContact C-N 3.35Å; H59-C61 PolarHBondContact O-N 2.82Å; H59-D62 PolarHBondContact O-N 3.39Å; H59-V63 WeakPolarHBondContact O-CG2 3.36Å; H59-V63 PolarHBondContact O-N 2.65Å |
| 60 | F | 92.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55.5 | -47.8 | 173.7 | -178.4 | -102.6 | 0 | 0 | 0 | 112.3 | I6 L7 F10 W43 F47 I55 T56 I58 L64 | I6-F60 HydrophobicContact CG2-CE1 3.92Å; I6-F60 HydrophobicContact CG2-CE2 4.03Å; I6-F60 HydrophobicContact CG2-CZ 3.29Å; I6-F60 WeakPolarHBondContact O-CZ 3.28Å; L7-F60 HydrophobicContact CD2-CD1 4.43Å; L7-F60 HydrophobicContact CD2-CE1 4.17Å; F10-F60 HydrophobicContact CB-CD1 4.19Å; F10-F60 HydrophobicContact CB-CE1 3.72Å; F10-F60 HydrophobicContact CB-CZ 4.02Å; F10-F60 HydrophobicContact CD2-CB 4.04Å; F10-F60 AromaticContact CD2-CD1 3.64Å; F10-F60 HydrophobicContact CD2-CD1 3.64Å; F10-F60 HydrophobicContact CD2-CD2 4.09Å; F10-F60 AromaticContact CD2-CE1 3.97Å; F10-F60 HydrophobicContact CD2-CE1 3.97Å; F10-F60 HydrophobicContact CD2-CE2 4.39Å; F10-F60 AromaticContact CD2-CG 3.66Å; F10-F60 HydrophobicContact CD2-CG 3.66Å; F10-F60 HydrophobicContact CD2-CZ 4.29Å; F10-F60 HydrophobicContact CE2-CB 4.09Å; F10-F60 HydrophobicContact CE2-CD1 4.47Å; F10-F60 HydrophobicContact CE2-CG 4.22Å; F10-F60 HydrophobicContact CG-CD1 4.23Å; F10-F60 HydrophobicContact CG-CE1 4.24Å; W43-F60 HydrophobicContact CE3-CE2 4.44Å; W43-F60 AromaticContact CH2-CE2 3.54Å; W43-F60 HydrophobicContact CH2-CE2 3.54Å; W43-F60 AromaticContact CH2-CZ 3.93Å; W43-F60 HydrophobicContact CH2-CZ 3.93Å; W43-F60 HydrophobicContact CZ2-CE2 4.48Å; W43-F60 HydrophobicContact CZ3-CD2 4.09Å; W43-F60 AromaticContact CZ3-CE2 3.51Å; W43-F60 HydrophobicContact CZ3-CE2 3.51Å; W43-F60 HydrophobicContact CZ3-CZ 4.3Å; F47-F60 AromaticContact CD1-CD2 3.67Å; F47-F60 HydrophobicContact CD1-CD2 3.67Å; F47-F60 HydrophobicContact CD1-CE2 4.26Å; F47-F60 HydrophobicContact CD2-CD2 4.15Å; F47-F60 HydrophobicContact CD2-CE2 4.22Å; F47-F60 AromaticContact CE1-CD2 3.6Å; F47-F60 HydrophobicContact CE1-CD2 3.6Å; F47-F60 AromaticContact CE1-CE2 3.81Å; F47-F60 HydrophobicContact CE1-CE2 3.81Å; F47-F60 HydrophobicContact CE2-CD2 4.1Å; F47-F60 AromaticContact CE2-CE2 3.77Å; F47-F60 HydrophobicContact CE2-CE2 3.77Å; F47-F60 AromaticContact CG-CD2 3.95Å; F47-F60 HydrophobicContact CG-CD2 3.95Å; F47-F60 HydrophobicContact CG-CE2 4.45Å; F47-F60 AromaticContact CZ-CD2 3.83Å; F47-F60 HydrophobicContact CZ-CD2 3.83Å; F47-F60 AromaticContact CZ-CE2 3.55Å; F47-F60 HydrophobicContact CZ-CE2 3.55Å; I55-F60 HydrophobicContact CG2-CB 4.07Å; I55-F60 HydrophobicContact CG2-CD2 4.19Å; T56-F60 VanDerWaalsContact O-CB 3.27Å; T56-F60 WeakPolarHBondContact O-CB 3.48Å; T56-F60 PolarHBondContact O-N 3.33Å; I58-F60 VanDerWaalsContact C-N 3.31Å; I58-F60 PolarHBondContact O-N 3.15Å; F60-L64 HydrophobicContact CD1-CD1 3.75Å; F60-L64 HydrophobicContact CD2-CD1 4.47Å; F60-L64 HydrophobicContact CE1-CD1 3.44Å; F60-L64 VanDerWaalsContact CE1-CD1 3.44Å; F60-L64 HydrophobicContact CE2-CD1 4.2Å; F60-L64 HydrophobicContact CG-CD1 4.29Å; F60-L64 HydrophobicContact CZ-CD1 3.73Å; F60-L64 WeakPolarHBondContact O-CD1 3.39Å; F60-L64 VanDerWaalsContact O-CG 3.22Å; F60-L64 WeakPolarHBondContact O-CG 3.4Å; F60-L64 PolarHBondContact O-N 2.81Å |
| 61 | C | 91.1 | Very high | 90 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 175.9 | -75.9 | 0 | 0 | 0 | 0 | 112.5 | F57 I58 H59 L64 G65 V66 R71 | F57-C61 VanDerWaalsContact CE1-SG 3.56Å; F57-C61 WeakPolarHBondContact CZ-SG 3.47Å; F57-C61 WeakPolarHBondContact O-CB 3.37Å; F57-C61 PolarHBondContact O-N 3.09Å; F57-C61 PolarHBondContact O-SG 3.48Å; I58-C61 WeakPolarHBondContact O-CB 3.27Å; I58-C61 PolarHBondContact O-N 2.85Å; H59-C61 VanDerWaalsContact C-N 3.35Å; H59-C61 PolarHBondContact O-N 2.82Å; C61-L64 CarbonylContact O-C 3.5Å; C61-L64 PolarHBondContact O-N 2.57Å; C61-G65 PolarHBondContact O-N 2.86Å; C61-G65 VanDerWaalsContact O-N 3.1Å; C61-V66 HydrophobicContact CB-CB 3.89Å; C61-V66 HydrophobicContact CB-CG1 4.38Å; C61-V66 HydrophobicContact CB-CG2 4.35Å; C61-V66 PolarHBondContact O-N 3.25Å; C61-R71 HydrophobicContact CB-CG 4.07Å |
| 62 | D | 90.5 | Very high | 90 | Very high | 87 Ų | 87 | 48.3 Ų | 48.3 | 47% | 0.465 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65 | -43.2 | -178.7 | -67.2 | -14.3 | 0 | 0 | 0 | 110.9 | I58 H59 L64 G65 R71 | I58-D62 PolarHBondContact O-N 3.32Å; H59-D62 PolarHBondContact O-N 3.39Å; D62-L64 VanDerWaalsContact C-N 3.27Å; D62-L64 PolarHBondContact O-N 2.88Å; D62-G65 PolarHBondContact O-N 2.82Å; D62-G65 VanDerWaalsContact O-N 3.1Å; D62-R71 IonicContact OD1-NH1 3.75Å; D62-R71 PolarHBondContact OD1-NH1 3.17Å |
| 63 | V | 91.1 | Very high | 90.1 | Very high | 66 Ų | 66 | 48.9 Ų | 48.9 | 40% | 0.4 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.3 | -35 | 174.3 | 172.3 | 0 | 0 | 0 | 0 | 111.8 | F47 H59 G65 | F47-V63 HydrophobicContact CD1-CB 3.84Å; F47-V63 HydrophobicContact CD1-CG1 3.67Å; F47-V63 HydrophobicContact CD1-CG2 4.21Å; F47-V63 HydrophobicContact CE1-CB 4Å; F47-V63 HydrophobicContact CE1-CG1 3.61Å; H59-V63 WeakPolarHBondContact O-CG2 3.36Å; H59-V63 PolarHBondContact O-N 2.65Å; V63-G65 VanDerWaalsContact C-N 3.3Å |
| 64 | L | 90.7 | Very high | 90 | Very high | 53 Ų | 53 | 48.7 Ų | 48.7 | 28% | 0.277 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -6 | 178.3 | -64.5 | 171.6 | 0 | 0 | 0 | 113.9 | I6 F47 F60 C61 D62 V66 | I6-L64 HydrophobicContact CB-CD1 4.12Å; I6-L64 HydrophobicContact CD1-CD2 3.8Å; I6-L64 HydrophobicContact CG2-CD1 3.29Å; I6-L64 HydrophobicContact CG2-CD2 3.8Å; I6-L64 HydrophobicContact CG2-CG 4.17Å; F47-L64 HydrophobicContact CE1-CD2 4.11Å; F47-L64 HydrophobicContact CE1-CG 4.16Å; F47-L64 HydrophobicContact CZ-CD2 4.21Å; F60-L64 HydrophobicContact CD1-CD1 3.75Å; F60-L64 HydrophobicContact CD2-CD1 4.47Å; F60-L64 HydrophobicContact CE1-CD1 3.44Å; F60-L64 VanDerWaalsContact CE1-CD1 3.44Å; F60-L64 HydrophobicContact CE2-CD1 4.2Å; F60-L64 HydrophobicContact CG-CD1 4.29Å; F60-L64 HydrophobicContact CZ-CD1 3.73Å; F60-L64 WeakPolarHBondContact O-CD1 3.39Å; F60-L64 VanDerWaalsContact O-CG 3.22Å; F60-L64 WeakPolarHBondContact O-CG 3.4Å; F60-L64 PolarHBondContact O-N 2.81Å; C61-L64 CarbonylContact O-C 3.5Å; C61-L64 PolarHBondContact O-N 2.57Å; D62-L64 VanDerWaalsContact C-N 3.27Å; D62-L64 PolarHBondContact O-N 2.88Å; L64-V66 VanDerWaalsContact C-N 3.28Å; L64-V66 HydrophobicContact CB-CG2 3.95Å; L64-V66 PolarHBondContact O-N 2.71Å |
| 65 | G | 91.3 | Very high | 89.7 | Confident | 64 Ų | 64 | 48 Ų | 48 | 66% | 0.66 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 22.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | C61 D62 V63 S67 | C61-G65 PolarHBondContact O-N 2.86Å; C61-G65 VanDerWaalsContact O-N 3.1Å; D62-G65 PolarHBondContact O-N 2.82Å; D62-G65 VanDerWaalsContact O-N 3.1Å; V63-G65 VanDerWaalsContact C-N 3.3Å; G65-S67 PolarHBondContact O-N 2.85Å |
| 66 | V | 89.6 | Confident | 89.4 | Confident | 7 Ų | 7 | 56.6 Ų | 56.6 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | trans | -67.3 | 124.9 | 176.7 | 177.5 | 0 | 0 | 0 | 0 | 108.8 | E3 L7 C61 L64 K70 R71 | E3-V66 HydrophobicContact CG-CG2 3.95Å; L7-V66 HydrophobicContact CD2-CG2 4.41Å; C61-V66 HydrophobicContact CB-CB 3.89Å; C61-V66 HydrophobicContact CB-CG1 4.38Å; C61-V66 HydrophobicContact CB-CG2 4.35Å; C61-V66 PolarHBondContact O-N 3.25Å; L64-V66 VanDerWaalsContact C-N 3.28Å; L64-V66 HydrophobicContact CB-CG2 3.95Å; L64-V66 PolarHBondContact O-N 2.71Å; V66-K70 HydrophobicContact CG1-CB 3.95Å; V66-K70 HydrophobicContact CG1-CG 3.99Å; V66-R71 HydrophobicContact CG1-CB 4.34Å | ||
| 67 | S | 90 | Very high | 89.2 | Confident | 70 Ų | 70 | 62.2 Ų | 62.2 | 49% | 0.49 | 32% | 0.318 | S | S | . | . | trans | -60.3 | 145.6 | -179.5 | 74.2 | 0 | 0 | 0 | 0 | 111.8 | G65 K69 K70 R71 | G65-S67 PolarHBondContact O-N 2.85Å; S67-K69 PolarHBondContact O-N 3.32Å; S67-K69 VanDerWaalsContact O-N 3.17Å; S67-K70 PolarHBondContact O-N 2.94Å; S67-K70 WeakPolarHBondContact OG-CB 3.3Å; S67-K70 PolarHBondContact OG-N 3.46Å; S67-R71 PolarHBondContact O-N 3.21Å | ||
| 68 | K | 89.4 | Confident | 88.7 | Confident | 139 Ų | 139 | 66 Ų | 66 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -49.5 | -43.9 | 175.4 | 175.6 | 171.1 | -178.5 | -176.2 | 0 | 112.7 | K70 R71 D72 | K68-K70 PolarHBondContact O-N 3.28Å; K68-R71 PolarHBondContact O-N 3.03Å; K68-D72 WeakPolarHBondContact CG-OD2 3.47Å; K68-D72 WeakPolarHBondContact O-CB 3.44Å; K68-D72 PolarHBondContact O-N 2.9Å |
| 69 | K | 90.3 | Very high | 88.3 | Confident | 152 Ų | 152 | 71.5 Ų | 71.5 | 66% | 0.661 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -57.7 | -48 | 177.7 | -178 | -177 | 174.1 | -173.1 | 0 | 111.4 | S67 D72 E73 | S67-K69 PolarHBondContact O-N 3.32Å; S67-K69 VanDerWaalsContact O-N 3.17Å; K69-D72 PolarHBondContact O-N 2.74Å; K69-E73 WeakPolarHBondContact CE-OE1 3.36Å; K69-E73 WeakPolarHBondContact O-CG 3.24Å; K69-E73 PolarHBondContact O-N 3.02Å |
| 70 | K | 88.8 | Confident | 87.7 | Confident | 71 Ų | 71 | 69.6 Ų | 69.6 | 31% | 0.309 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.2 | -40.7 | -179.1 | -175.3 | 56.6 | 177.9 | 169.8 | 0 | 112 | V66 S67 K68 E73 I74 | V66-K70 HydrophobicContact CG1-CB 3.95Å; V66-K70 HydrophobicContact CG1-CG 3.99Å; S67-K70 PolarHBondContact O-N 2.94Å; S67-K70 WeakPolarHBondContact OG-CB 3.3Å; S67-K70 PolarHBondContact OG-N 3.46Å; K68-K70 PolarHBondContact O-N 3.28Å; K70-E73 IonicContact NZ-OE2 3.89Å; K70-E73 WeakPolarHBondContact O-CB 3.29Å; K70-E73 PolarHBondContact O-N 3.21Å; K70-I74 HydrophobicContact CD-CD1 4.44Å; K70-I74 HydrophobicContact CG-CD1 4.1Å; K70-I74 WeakPolarHBondContact O-CD1 3.35Å; K70-I74 VanDerWaalsContact O-CG1 3.3Å; K70-I74 WeakPolarHBondContact O-CG1 3.38Å; K70-I74 PolarHBondContact O-N 2.87Å |
| 71 | R | 89.3 | Confident | 86.7 | Confident | 37 Ų | 37 | 73 Ų | 73 | 14% | 0.14 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 173.9 | -176.3 | -170.5 | 71.8 | -174.8 | 7.3 | 111.7 | F57 I58 C61 D62 V66 S67 K68 E73 I74 L75 | F57-R71 HydrophobicContact CD1-CG 4.35Å; F57-R71 HydrophobicContact CE1-CG 3.87Å; I58-R71 HydrophobicContact CD1-CG 4.13Å; C61-R71 HydrophobicContact CB-CG 4.07Å; D62-R71 IonicContact OD1-NH1 3.75Å; D62-R71 PolarHBondContact OD1-NH1 3.17Å; V66-R71 HydrophobicContact CG1-CB 4.34Å; S67-R71 PolarHBondContact O-N 3.21Å; K68-R71 PolarHBondContact O-N 3.03Å; R71-E73 VanDerWaalsContact C-N 3.33Å; R71-E73 PolarHBondContact O-N 3.3Å; R71-I74 PolarHBondContact O-N 3.28Å; R71-L75 HydrophobicContact CG-CD1 4.11Å; R71-L75 VanDerWaalsContact O-CG 3.3Å; R71-L75 WeakPolarHBondContact O-CG 3.35Å; R71-L75 PolarHBondContact O-N 2.83Å |
| 72 | D | 87.2 | Confident | 85.8 | Confident | 69 Ų | 69 | 75.4 Ų | 75.4 | 37% | 0.369 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.4 | -35.5 | 179.8 | -63.6 | -9.7 | 0 | 0 | 0 | 111.7 | K68 K69 K76 | K68-D72 WeakPolarHBondContact CG-OD2 3.47Å; K68-D72 WeakPolarHBondContact O-CB 3.44Å; K68-D72 PolarHBondContact O-N 2.9Å; K69-D72 PolarHBondContact O-N 2.74Å; D72-K76 WeakPolarHBondContact O-CB 3.31Å; D72-K76 PolarHBondContact O-N 3.38Å |
| 73 | E | 89.4 | Confident | 84.6 | Confident | 71 Ų | 71 | 71.5 Ų | 71.5 | 33% | 0.332 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 170.5 | -73.7 | 167.1 | -174.1 | 0 | 0 | 111.5 | K69 K70 R71 K76 E77 | K69-E73 WeakPolarHBondContact CE-OE1 3.36Å; K69-E73 WeakPolarHBondContact O-CG 3.24Å; K69-E73 PolarHBondContact O-N 3.02Å; K70-E73 IonicContact NZ-OE2 3.89Å; K70-E73 WeakPolarHBondContact O-CB 3.29Å; K70-E73 PolarHBondContact O-N 3.21Å; R71-E73 VanDerWaalsContact C-N 3.33Å; R71-E73 PolarHBondContact O-N 3.3Å; E73-K76 PolarHBondContact O-N 3.12Å; E73-E77 WeakPolarHBondContact O-CB 3.42Å; E73-E77 VanDerWaalsContact O-CG 3.31Å; E73-E77 WeakPolarHBondContact O-CG 3.45Å; E73-E77 PolarHBondContact O-N 3.14Å |
| 74 | I | 85.9 | Confident | 83.5 | Confident | 6 Ų | 6 | 73.3 Ų | 73.3 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.5 | -43.7 | -178.6 | -64.5 | 159 | 0 | 0 | 0 | 111.6 | L7 F57 K70 R71 K76 E77 R78 | L7-I74 HydrophobicContact CD1-CD1 3.6Å; L7-I74 HydrophobicContact CD2-CD1 4.22Å; L7-I74 HydrophobicContact CG-CD1 4.49Å; F57-I74 HydrophobicContact CE1-CB 4.36Å; F57-I74 HydrophobicContact CE1-CG2 4.16Å; F57-I74 HydrophobicContact CE2-CG2 4.11Å; F57-I74 HydrophobicContact CZ-CB 3.92Å; F57-I74 HydrophobicContact CZ-CD1 4.26Å; F57-I74 HydrophobicContact CZ-CG2 3.42Å; F57-I74 VanDerWaalsContact CZ-CG2 3.42Å; K70-I74 HydrophobicContact CD-CD1 4.44Å; K70-I74 HydrophobicContact CG-CD1 4.1Å; K70-I74 WeakPolarHBondContact O-CD1 3.35Å; K70-I74 VanDerWaalsContact O-CG1 3.3Å; K70-I74 WeakPolarHBondContact O-CG1 3.38Å; K70-I74 PolarHBondContact O-N 2.87Å; R71-I74 PolarHBondContact O-N 3.28Å; I74-K76 PolarHBondContact O-N 3.18Å; I74-E77 PolarHBondContact O-N 3.46Å; I74-R78 HydrophobicContact CG2-CG 4.1Å; I74-R78 WeakPolarHBondContact O-CB 3.49Å; I74-R78 PolarHBondContact O-N 3.41Å |
| 75 | L | 84.9 | Confident | 82.4 | Confident | 15 Ų | 15 | 75 Ų | 75 | 8% | 0.079 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -55.7 | -42.8 | 176.8 | -74.7 | 165.4 | 0 | 0 | 0 | 111.1 | F57 I58 R71 N79 I80 I82 | F57-L75 HydrophobicContact CD1-CD2 3.47Å; F57-L75 VanDerWaalsContact CD1-CD2 3.47Å; F57-L75 HydrophobicContact CD1-CG 3.91Å; F57-L75 HydrophobicContact CE1-CD2 3.87Å; F57-L75 HydrophobicContact CE1-CG 3.82Å; F57-L75 HydrophobicContact CG-CD2 4.39Å; I58-L75 HydrophobicContact CD1-CD1 3.88Å; R71-L75 HydrophobicContact CG-CD1 4.11Å; R71-L75 VanDerWaalsContact O-CG 3.3Å; R71-L75 WeakPolarHBondContact O-CG 3.35Å; R71-L75 PolarHBondContact O-N 2.83Å; L75-N79 WeakPolarHBondContact O-CA 3.47Å; L75-N79 PolarHBondContact O-N 3.03Å; L75-I80 HydrophobicContact CD2-CB 3.81Å; L75-I80 HydrophobicContact CD2-CG2 3.77Å; L75-I80 PolarHBondContact O-N 3.46Å; L75-I80 VanDerWaalsContact O-N 3.15Å; L75-I82 HydrophobicContact CD1-CD1 3.58Å; L75-I82 HydrophobicContact CD1-CG1 3.96Å; L75-I82 HydrophobicContact CD2-CD1 4.38Å; L75-I82 HydrophobicContact CD2-CG1 3.81Å; L75-I82 HydrophobicContact CG-CG1 4.47Å |
| 76 | K | 85.5 | Confident | 81.4 | Confident | 181 Ų | 181 | 74 Ų | 74 | 79% | 0.787 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -70 | -45.5 | 177.4 | -173.8 | -179.5 | 178.7 | -176.7 | 0 | 112.4 | D72 E73 I74 | D72-K76 WeakPolarHBondContact O-CB 3.31Å; D72-K76 PolarHBondContact O-N 3.38Å; E73-K76 PolarHBondContact O-N 3.12Å; I74-K76 PolarHBondContact O-N 3.18Å |
| 77 | E | 86.3 | Confident | 80.4 | Confident | 143 Ų | 143 | 75.6 Ų | 75.6 | 67% | 0.668 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.4 | -38.9 | -179.5 | -76.1 | 173.4 | -178.5 | 0 | 0 | 112.3 | E73 I74 | E73-E77 WeakPolarHBondContact O-CB 3.42Å; E73-E77 VanDerWaalsContact O-CG 3.31Å; E73-E77 WeakPolarHBondContact O-CG 3.45Å; E73-E77 PolarHBondContact O-N 3.14Å; I74-E77 PolarHBondContact O-N 3.46Å |
| 78 | R | 80 | Confident | 80 | Confident | 83 Ų | 83 | 79.5 Ų | 79.5 | 31% | 0.313 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -93.9 | -3.5 | -177.1 | -63.7 | -170.4 | 177.9 | 172.5 | 3.4 | 113.9 | L7 S11 I74 I80 | L7-R78 PolarHBondContact O-NH1 3.1Å; S11-R78 PolarHBondContact OG-NH1 3.18Å; I74-R78 HydrophobicContact CG2-CG 4.1Å; I74-R78 WeakPolarHBondContact O-CB 3.49Å; I74-R78 PolarHBondContact O-N 3.41Å; R78-I80 HydrophobicContact CB-CD1 3.77Å; R78-I80 HydrophobicContact CB-CG1 3.74Å; R78-I80 HydrophobicContact CG-CD1 4.49Å; R78-I80 PolarHBondContact O-N 2.6Å |
| 79 | N | 80.8 | Confident | 80 | Confident | 136 Ų | 136 | 73.9 Ų | 73.9 | 73% | 0.727 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 39.2 | -175.5 | -167.5 | 54.4 | 0 | 0 | 0 | 112.8 | L75 | L75-N79 WeakPolarHBondContact O-CA 3.47Å; L75-N79 PolarHBondContact O-N 3.03Å |
| 80 | I | 76.9 | Confident | 80.2 | Confident | 12 Ų | 12 | 69.7 Ų | 69.7 | 6% | 0.062 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 129.9 | 178.7 | -67.1 | 167.3 | 0 | 0 | 0 | 108.7 | F57 L75 R78 | F57-I80 HydrophobicContact CD2-CD1 4.21Å; F57-I80 HydrophobicContact CE2-CD1 4.36Å; F57-I80 HydrophobicContact CG-CD1 4.35Å; L75-I80 HydrophobicContact CD2-CB 3.81Å; L75-I80 HydrophobicContact CD2-CG2 3.77Å; L75-I80 PolarHBondContact O-N 3.46Å; L75-I80 VanDerWaalsContact O-N 3.15Å; R78-I80 HydrophobicContact CB-CD1 3.77Å; R78-I80 HydrophobicContact CB-CG1 3.74Å; R78-I80 HydrophobicContact CG-CD1 4.49Å; R78-I80 PolarHBondContact O-N 2.6Å |
| 81 | V | 70.8 | Confident | 80.5 | Confident | 70 Ų | 70 | 68.7 Ų | 68.7 | 42% | 0.424 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 126.2 | 175.1 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | P83 L86 | V81-P83 VanDerWaalsContact O-CD 3.32Å; V81-P83 WeakPolarHBondContact O-CD 3.07Å; V81-L86 HydrophobicContact CG1-CD1 3.86Å; V81-L86 HydrophobicContact CG1-CD2 3.86Å; V81-L86 HydrophobicContact CG1-CG 3.98Å |
| 82 | I | 73.4 | Confident | 80.9 | Confident | 52 Ų | 52 | 71 Ų | 71 | 27% | 0.267 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 117.8 | 176.8 | -52.3 | 172 | 0 | 0 | 0 | 109 | I58 L75 D84 S85 | I58-I82 HydrophobicContact CD1-CD1 4.25Å; I58-I82 HydrophobicContact CD1-CG1 4.45Å; I58-I82 HydrophobicContact CD1-CG2 4.27Å; I58-I82 HydrophobicContact CG1-CG2 3.85Å; L75-I82 HydrophobicContact CD1-CD1 3.58Å; L75-I82 HydrophobicContact CD1-CG1 3.96Å; L75-I82 HydrophobicContact CD2-CD1 4.38Å; L75-I82 HydrophobicContact CD2-CG1 3.81Å; L75-I82 HydrophobicContact CG-CG1 4.47Å; I82-D84 HydrophobicContact CG2-CB 4.41Å; I82-D84 PolarHBondContact O-N 2.94Å; I82-D84 VanDerWaalsContact O-N 3.17Å; I82-S85 PolarHBondContact O-N 2.94Å; I82-S85 PolarHBondContact O-OG 3.47Å |
| 83 | P | 66 | Low | 81.3 | Confident | 4 Ų | 4 | 68.6 Ų | 68.6 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -58.9 | -34.3 | -175.4 | -24.8 | 34.3 | 0 | 0 | 0 | 113.9 | V20 V81 S85 L86 K109 Y110 | V20-P83 HydrophobicContact CG2-CB 4.27Å; V20-P83 HydrophobicContact CG2-CG 3.26Å; V81-P83 VanDerWaalsContact O-CD 3.32Å; V81-P83 WeakPolarHBondContact O-CD 3.07Å; P83-S85 PolarHBondContact O-N 3.47Å; P83-L86 WeakPolarHBondContact O-CB 3.36Å; P83-L86 PolarHBondContact O-N 3.31Å; P83-L86 VanDerWaalsContact O-N 3.12Å; P83-K109 VanDerWaalsContact CB-NZ 3.28Å; P83-K109 WeakPolarHBondContact O-CE 3.4Å; P83-Y110 HydrophobicContact CB-CE1 3.6Å; P83-Y110 HydrophobicContact CG-CE1 3.64Å |
| 84 | D | 67.9 | Low | 81.6 | Confident | 104 Ų | 104 | 66.8 Ų | 66.8 | 56% | 0.556 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -71.8 | -17 | -177.1 | -68 | -26.6 | 0 | 0 | 0 | 113.4 | I82 | I82-D84 HydrophobicContact CG2-CB 4.41Å; I82-D84 PolarHBondContact O-N 2.94Å; I82-D84 VanDerWaalsContact O-N 3.17Å |
| 85 | S | 67.7 | Low | 82.1 | Confident | 89 Ų | 89 | 70.2 Ų | 70.2 | 62% | 0.622 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -86.5 | -14.3 | 172.5 | 70.8 | 0 | 0 | 0 | 0 | 113.2 | I82 P83 | I82-S85 PolarHBondContact O-N 2.94Å; I82-S85 PolarHBondContact O-OG 3.47Å; P83-S85 PolarHBondContact O-N 3.47Å |
| 86 | L | 68.6 | Low | 82.6 | Confident | 44 Ų | 44 | 70.3 Ų | 70.3 | 23% | 0.23 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -76.3 | 139.2 | 175.9 | -62.8 | 174.5 | 0 | 0 | 0 | 109.6 | V81 P83 K88 K109 | V81-L86 HydrophobicContact CG1-CD1 3.86Å; V81-L86 HydrophobicContact CG1-CD2 3.86Å; V81-L86 HydrophobicContact CG1-CG 3.98Å; P83-L86 WeakPolarHBondContact O-CB 3.36Å; P83-L86 PolarHBondContact O-N 3.31Å; P83-L86 VanDerWaalsContact O-N 3.12Å; L86-K88 PolarHBondContact O-N 3.46Å; L86-K109 WeakPolarHBondContact CD1-O 3.48Å |
| 87 | P | 69 | Low | 83.1 | Confident | 39 Ų | 39 | 64.3 Ų | 64.3 | 25% | 0.253 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 127.4 | 173.8 | 27.2 | -34.3 | 0 | 0 | 0 | 109.2 | ||
| 88 | K | 81.9 | Confident | 83.4 | Confident | 153 Ų | 153 | 62.1 Ų | 62.1 | 67% | 0.665 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -70 | 131.6 | 172.9 | -68.2 | -178.2 | -179.7 | -179.3 | 0 | 108.4 | L86 I90 | L86-K88 PolarHBondContact O-N 3.46Å; K88-I90 PolarHBondContact O-N 3.03Å |
| 89 | P | 90 | Very high | 83.8 | Confident | 20 Ų | 20 | 64 Ų | 64 | 13% | 0.13 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 130.8 | 175.8 | -22.6 | 32.6 | 0 | 0 | 0 | 110.6 | L105 I108 F158 S159 | P89-L105 HydrophobicContact CB-CD2 3.96Å; P89-L105 HydrophobicContact CG-CD2 4.34Å; P89-I108 HydrophobicContact CB-CG2 4.17Å; P89-I108 HydrophobicContact CG-CB 4.17Å; P89-I108 HydrophobicContact CG-CG2 3.52Å; P89-F158 HydrophobicContact CB-CD2 4.21Å; P89-S159 CarbonylContact C-O 3.17Å; P89-S159 VanDerWaalsContact CA-O 3.27Å; P89-S159 WeakPolarHBondContact CA-O 3.41Å |
| 90 | I | 93.2 | Very high | 84.4 | Confident | 64 Ų | 64 | 58.8 Ų | 58.8 | 33% | 0.328 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 119.3 | 172.6 | -59.9 | 178.2 | 0 | 0 | 0 | 107.2 | K88 Y92 F158 S159 | K88-I90 PolarHBondContact O-N 3.03Å; I90-Y92 HydrophobicContact CG2-CE1 4.1Å; I90-Y92 HydrophobicContact CG2-CE2 4.4Å; I90-F158 CarbonylContact O-C 3.58Å; I90-F158 WeakPolarHBondContact O-CA 3.41Å; I90-F158 WeakPolarHBondContact O-CB 3.44Å; I90-S159 PolarHBondContact N-O 2.6Å; I90-S159 PolarHBondContact O-N 2.8Å |
| 91 | V | 96.5 | Very high | 85.2 | Confident | 51 Ų | 51 | 60.8 Ų | 60.8 | 31% | 0.309 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 124.1 | 174.8 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | L105 L156 | V91-L105 HydrophobicContact CG2-CD1 3.96Å; V91-L105 HydrophobicContact CG2-CD2 3.6Å; V91-L105 HydrophobicContact CG2-CG 4.36Å; V91-L156 HydrophobicContact CB-CD1 4.5Å; V91-L156 HydrophobicContact CG1-CD1 3.66Å; V91-L156 HydrophobicContact CG2-CD1 4.08Å |
| 92 | Y | 96.7 | Very high | 86.1 | Confident | 85 Ų | 85 | 61.9 Ų | 61.9 | 33% | 0.333 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -41.6 | 177 | -69.1 | -69.3 | 0 | 0 | 0 | 112.6 | I90 T144 V157 G163 I166 | I90-Y92 HydrophobicContact CG2-CE1 4.1Å; I90-Y92 HydrophobicContact CG2-CE2 4.4Å; Y92-T144 HydrophobicContact CD1-CG2 3.48Å; Y92-T144 VanDerWaalsContact CD1-CG2 3.48Å; Y92-T144 HydrophobicContact CD2-CG2 4.24Å; Y92-T144 HydrophobicContact CE1-CG2 3.86Å; Y92-T144 HydrophobicContact CG-CG2 3.7Å; Y92-V157 HydrophobicContact CD2-CG1 4.34Å; Y92-V157 PolarHBondContact N-O 2.71Å; Y92-G163 WeakPolarHBondContact OH-CA 3.31Å; Y92-I166 HydrophobicContact CD2-CG2 4.07Å; Y92-I166 HydrophobicContact CE2-CD1 4.49Å; Y92-I166 HydrophobicContact CE2-CG1 4.11Å; Y92-I166 HydrophobicContact CE2-CG2 4.28Å |
| 93 | S | 95.8 | Very high | 86.9 | Confident | 19 Ų | 19 | 62.3 Ų | 62.3 | 13% | 0.133 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 149 | 176.7 | 59.2 | 0 | 0 | 0 | 0 | 110.9 | T144 V157 | S93-T144 PolarHBondContact OG-O 2.96Å; S93-V157 PolarHBondContact N-O 3.19Å; S93-V157 PolarHBondContact O-N 3.36Å; S93-V157 WeakPolarHBondContact OG-CB 3.14Å; S93-V157 WeakPolarHBondContact OG-CG2 3.34Å |
| 94 | S | 96.6 | Very high | 88.1 | Confident | 33 Ų | 33 | 62.1 Ų | 62.1 | 23% | 0.231 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 148.5 | -178.1 | 175.2 | 0 | 0 | 0 | 0 | 109.4 | L96 Q101 Y155 | S94-L96 PolarHBondContact OG-N 3.15Å; S94-Q101 PolarHBondContact OG-OE1 2.88Å; S94-Y155 WeakPolarHBondContact CA-O 3.36Å; S94-Y155 PolarHBondContact OG-O 3.48Å |
| 95 | N | 95.8 | Very high | 89.3 | Confident | 77 Ų | 77 | 59 Ų | 59 | 41% | 0.412 | 32% | 0.315 | S | S | . | . | trans | -124.1 | 17.3 | 168.3 | 72.2 | -9.9 | 0 | 0 | 0 | 112.6 | G153 K154 Y155 | N95-G153 PolarHBondContact ND2-O 2.98Å; N95-K154 WeakPolarHBondContact OD1-CA 3.36Å; N95-Y155 HydrophobicContact CB-CD1 4.23Å; N95-Y155 HydrophobicContact CB-CE1 3.75Å; N95-Y155 VanDerWaalsContact CG-CD1 3.41Å; N95-Y155 VanDerWaalsContact CG-CE1 3.42Å; N95-Y155 PolarHBondContact N-O 3.04Å; N95-Y155 WeakPolarHBondContact ND2-CD1 3.46Å; N95-Y155 WeakPolarHBondContact ND2-CE1 3.26Å; N95-Y155 WeakPolarHBondContact OD1-CD1 3.36Å; N95-Y155 PolarHBondContact OD1-N 3.41Å; N95-Y155 PolarHBondContact OD1-O 2.93Å | ||
| 96 | L | 95.9 | Very high | 90.1 | Very high | 17 Ų | 17 | 56.5 Ų | 56.5 | 9% | 0.089 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -71.5 | 156 | 176 | -55.7 | 176.6 | 0 | 0 | 0 | 110.8 | S94 M100 Q101 I104 W136 K154 Y155 L156 | S94-L96 PolarHBondContact OG-N 3.15Å; L96-M100 HydrophobicContact CB-CB 4.39Å; L96-M100 HydrophobicContact CB-CG 4.4Å; L96-M100 HydrophobicContact CD1-CG 4.43Å; L96-M100 HydrophobicContact CD2-CG 4.3Å; L96-M100 HydrophobicContact CD2-SD 3.85Å; L96-Q101 HydrophobicContact CB-CB 4.07Å; L96-Q101 HydrophobicContact CD1-CB 4.29Å; L96-I104 HydrophobicContact CD1-CD1 3.74Å; L96-W136 HydrophobicContact CD2-CH2 4.11Å; L96-K154 HydrophobicContact CD2-CB 3.68Å; L96-K154 HydrophobicContact CD2-CD 4.35Å; L96-K154 HydrophobicContact CD2-CG 4.26Å; L96-Y155 WeakPolarHBondContact CG-O 3.48Å; L96-L156 HydrophobicContact CD1-CB 3.95Å |
| 97 | S | 95.4 | Very high | 91 | Very high | 55 Ų | 55 | 56.1 Ų | 56.1 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | trans | -63.4 | 152.2 | 165.5 | 74.3 | 0 | 0 | 0 | 0 | 110 | E99 M100 Q101 | S97-E99 WeakPolarHBondContact CB-OE2 3.13Å; S97-E99 PolarHBondContact O-N 3.21Å; S97-E99 PolarHBondContact OG-OE2 3.33Å; S97-E99 VanDerWaalsContact OG-OE2 3.1Å; S97-M100 PolarHBondContact O-N 3.07Å; S97-M100 VanDerWaalsContact O-N 3.12Å; S97-M100 WeakPolarHBondContact OG-CB 3.39Å; S97-M100 PolarHBondContact OG-N 3.17Å; S97-Q101 PolarHBondContact O-N 3.26Å | ||
| 98 | P | 92.3 | Very high | 92 | Very high | 97 Ų | 97 | 54.2 Ų | 54.2 | 63% | 0.63 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -51.2 | -41.5 | 179.5 | -28.9 | 36.4 | 0 | 0 | 0 | 113.4 | Q101 Q102 | P98-Q101 PolarHBondContact O-N 3.04Å; P98-Q102 WeakPolarHBondContact O-CB 3.32Å; P98-Q102 PolarHBondContact O-N 3.49Å |
| 99 | E | 89.4 | Confident | 92.1 | Very high | 123 Ų | 123 | 48.4 Ų | 48.4 | 58% | 0.575 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -66.7 | -44.5 | -178.8 | -54.6 | 72 | -152.8 | 0 | 0 | 111.3 | S97 Q102 K103 | S97-E99 WeakPolarHBondContact CB-OE2 3.13Å; S97-E99 PolarHBondContact O-N 3.21Å; S97-E99 PolarHBondContact OG-OE2 3.33Å; S97-E99 VanDerWaalsContact OG-OE2 3.1Å; E99-Q102 PolarHBondContact O-N 3.12Å; E99-K103 WeakPolarHBondContact O-CG 3.42Å; E99-K103 PolarHBondContact O-N 2.7Å |
| 100 | M | 92.6 | Very high | 91.6 | Very high | 26 Ų | 26 | 49.2 Ų | 49.2 | 13% | 0.128 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.9 | -42.6 | 178.7 | -179.1 | 172.3 | -81.8 | 0 | 0 | 111 | L96 S97 Q102 K103 I104 F132 W136 K154 | L96-M100 HydrophobicContact CB-CB 4.39Å; L96-M100 HydrophobicContact CB-CG 4.4Å; L96-M100 HydrophobicContact CD1-CG 4.43Å; L96-M100 HydrophobicContact CD2-CG 4.3Å; L96-M100 HydrophobicContact CD2-SD 3.85Å; S97-M100 PolarHBondContact O-N 3.07Å; S97-M100 VanDerWaalsContact O-N 3.12Å; S97-M100 WeakPolarHBondContact OG-CB 3.39Å; S97-M100 PolarHBondContact OG-N 3.17Å; M100-Q102 VanDerWaalsContact C-N 3.35Å; M100-Q102 PolarHBondContact O-N 2.88Å; M100-K103 PolarHBondContact O-N 2.93Å; M100-I104 HydrophobicContact CG-CD1 4.15Å; M100-I104 WeakPolarHBondContact O-CG1 3.41Å; M100-I104 PolarHBondContact O-N 3.37Å; M100-F132 HydrophobicContact CE-CB 4.19Å; M100-F132 HydrophobicContact CE-CD1 3.56Å; M100-F132 HydrophobicContact CE-CE1 4.13Å; M100-F132 HydrophobicContact CE-CG 3.97Å; M100-F132 HydrophobicContact CG-CD1 4.31Å; M100-F132 HydrophobicContact CG-CE1 4.05Å; M100-F132 HydrophobicContact CG-CZ 4.22Å; M100-W136 HydrophobicContact SD-CH2 4.43Å; M100-W136 HydrophobicContact SD-CZ2 4.36Å; M100-K154 HydrophobicContact SD-CD 3.85Å |
| 101 | Q | 94.6 | Very high | 90.9 | Very high | 54 Ų | 54 | 47 Ų | 47 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.5 | -47.1 | 175.5 | -174.7 | 173.8 | -58.8 | 0 | 0 | 111 | S94 L96 S97 P98 K103 I104 L105 L156 | S94-Q101 PolarHBondContact OG-OE1 2.88Å; L96-Q101 HydrophobicContact CB-CB 4.07Å; L96-Q101 HydrophobicContact CD1-CB 4.29Å; S97-Q101 PolarHBondContact O-N 3.26Å; P98-Q101 PolarHBondContact O-N 3.04Å; Q101-K103 PolarHBondContact O-N 2.87Å; Q101-I104 PolarHBondContact O-N 3.06Å; Q101-L105 HydrophobicContact CG-CD1 3.92Å; Q101-L105 HydrophobicContact CG-CG 4.29Å; Q101-L105 WeakPolarHBondContact O-CB 3.49Å; Q101-L105 VanDerWaalsContact O-CG 3.26Å; Q101-L105 WeakPolarHBondContact O-CG 3.4Å; Q101-L105 PolarHBondContact O-N 2.9Å; Q101-L156 HydrophobicContact CG-CD1 4.39Å |
| 102 | Q | 89.4 | Confident | 90.2 | Very high | 93 Ų | 93 | 46 Ų | 46 | 44% | 0.435 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.6 | -47.3 | 178.9 | -175.2 | 177 | 9.7 | 0 | 0 | 111.3 | P98 E99 M100 I104 L105 R106 | P98-Q102 WeakPolarHBondContact O-CB 3.32Å; P98-Q102 PolarHBondContact O-N 3.49Å; E99-Q102 PolarHBondContact O-N 3.12Å; M100-Q102 VanDerWaalsContact C-N 3.35Å; M100-Q102 PolarHBondContact O-N 2.88Å; Q102-I104 PolarHBondContact O-N 3.25Å; Q102-L105 PolarHBondContact O-N 3.5Å; Q102-R106 WeakPolarHBondContact O-CG 3.33Å; Q102-R106 PolarHBondContact O-N 2.74Å |
| 103 | K | 88.9 | Confident | 89.2 | Confident | 61 Ų | 61 | 45.8 Ų | 45.8 | 27% | 0.265 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 176.2 | -76.4 | -170.3 | 165.7 | -149.3 | 0 | 112.3 | E24 E99 M100 Q101 R106 L107 E131 F132 | E24-K103 IonicContact OE1-NZ 2.81Å; E24-K103 PolarHBondContact OE1-NZ 3.32Å; E99-K103 WeakPolarHBondContact O-CG 3.42Å; E99-K103 PolarHBondContact O-N 2.7Å; M100-K103 PolarHBondContact O-N 2.93Å; Q101-K103 PolarHBondContact O-N 2.87Å; K103-R106 WeakPolarHBondContact O-CB 3.26Å; K103-R106 PolarHBondContact O-N 2.92Å; K103-L107 WeakPolarHBondContact O-CG 3.46Å; K103-L107 PolarHBondContact O-N 3.14Å; K103-E131 IonicContact NZ-OE1 3.86Å; K103-E131 PolarHBondContact NZ-OE1 3.28Å; K103-F132 HydrophobicContact CB-CE1 4.3Å; K103-F132 HydrophobicContact CB-CZ 3.63Å; K103-F132 HydrophobicContact CD-CE1 4.08Å; K103-F132 HydrophobicContact CD-CZ 4.16Å |
| 104 | I | 92.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.1 | -42 | 177.4 | -71.1 | -179.9 | 0 | 0 | 0 | 111.7 | L96 M100 Q101 Q102 R106 L107 I108 F132 W136 L156 L169 | L96-I104 HydrophobicContact CD1-CD1 3.74Å; M100-I104 HydrophobicContact CG-CD1 4.15Å; M100-I104 WeakPolarHBondContact O-CG1 3.41Å; M100-I104 PolarHBondContact O-N 3.37Å; Q101-I104 PolarHBondContact O-N 3.06Å; Q102-I104 PolarHBondContact O-N 3.25Å; I104-R106 PolarHBondContact O-N 3.26Å; I104-L107 WeakPolarHBondContact O-CB 3.26Å; I104-L107 PolarHBondContact O-N 3.22Å; I104-L107 VanDerWaalsContact O-N 3.14Å; I104-I108 HydrophobicContact CG2-CD1 3.77Å; I104-I108 HydrophobicContact CG2-CG1 4.38Å; I104-I108 WeakPolarHBondContact O-CG1 3.45Å; I104-I108 PolarHBondContact O-N 3.07Å; I104-F132 HydrophobicContact CD1-CD2 4.32Å; I104-F132 HydrophobicContact CD1-CE2 3.97Å; I104-F132 HydrophobicContact CG1-CD2 4.22Å; I104-F132 HydrophobicContact CG1-CE2 3.42Å; I104-F132 VanDerWaalsContact CG1-CE2 3.42Å; I104-F132 HydrophobicContact CG1-CZ 3.98Å; I104-W136 HydrophobicContact CD1-CH2 3.3Å; I104-W136 HydrophobicContact CD1-CZ2 3.92Å; I104-W136 HydrophobicContact CD1-CZ3 3.68Å; I104-L156 HydrophobicContact CB-CD2 4.41Å; I104-L156 HydrophobicContact CG2-CD2 3.49Å; I104-L156 VanDerWaalsContact CG2-CD2 3.49Å; I104-L169 HydrophobicContact CD1-CD2 4.21Å; I104-L169 HydrophobicContact CG2-CD2 3.53Å |
| 105 | L | 91.8 | Very high | 86.4 | Confident | 38 Ų | 38 | 58.9 Ų | 58.9 | 20% | 0.199 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.1 | -32.7 | 176.6 | -70.8 | 173.7 | 0 | 0 | 0 | 112.3 | P89 V91 Q101 Q102 I108 K109 L156 | P89-L105 HydrophobicContact CB-CD2 3.96Å; P89-L105 HydrophobicContact CG-CD2 4.34Å; V91-L105 HydrophobicContact CG2-CD1 3.96Å; V91-L105 HydrophobicContact CG2-CD2 3.6Å; V91-L105 HydrophobicContact CG2-CG 4.36Å; Q101-L105 HydrophobicContact CG-CD1 3.92Å; Q101-L105 HydrophobicContact CG-CG 4.29Å; Q101-L105 WeakPolarHBondContact O-CB 3.49Å; Q101-L105 VanDerWaalsContact O-CG 3.26Å; Q101-L105 WeakPolarHBondContact O-CG 3.4Å; Q101-L105 PolarHBondContact O-N 2.9Å; Q102-L105 PolarHBondContact O-N 3.5Å; L105-I108 HydrophobicContact CD2-CD1 4.45Å; L105-K109 VanDerWaalsContact O-CB 3.26Å; L105-K109 WeakPolarHBondContact O-CB 3.35Å; L105-K109 PolarHBondContact O-N 3.29Å; L105-L156 HydrophobicContact CD2-CD2 4.17Å |
| 106 | R | 85.1 | Confident | 85.2 | Confident | 38 Ų | 38 | 58.4 Ų | 58.4 | 14% | 0.143 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.9 | -51.7 | 170.2 | -68.6 | 166.6 | 179 | -177.3 | -11.5 | 111.4 | T52 E54 Q102 K103 I104 I108 K109 Y110 | T52-R106 PolarHBondContact O-NH2 3.29Å; E54-R106 WeakPolarHBondContact OE1-CD 3.38Å; E54-R106 WeakPolarHBondContact OE1-CG 3.12Å; E54-R106 IonicContact OE1-CZ 2.74Å; E54-R106 IonicContact OE1-NE 3.02Å; E54-R106 PolarHBondContact OE1-NE 3.33Å; E54-R106 IonicContact OE1-NH2 3.33Å; E54-R106 PolarHBondContact OE1-NH2 2.89Å; Q102-R106 WeakPolarHBondContact O-CG 3.33Å; Q102-R106 PolarHBondContact O-N 2.74Å; K103-R106 WeakPolarHBondContact O-CB 3.26Å; K103-R106 PolarHBondContact O-N 2.92Å; I104-R106 PolarHBondContact O-N 3.26Å; R106-I108 PolarHBondContact O-N 2.82Å; R106-K109 PolarHBondContact O-N 2.83Å; R106-Y110 HydrophobicContact CB-CD2 4.02Å; R106-Y110 HydrophobicContact CB-CE2 4Å; R106-Y110 HydrophobicContact CG-CE2 4.2Å; R106-Y110 WeakPolarHBondContact O-CD2 3.48Å; R106-Y110 PolarHBondContact O-N 2.93Å |
| 107 | L | 87.8 | Confident | 83.5 | Confident | 35 Ų | 35 | 60.5 Ų | 60.5 | 18% | 0.183 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -53.4 | -43.6 | 178.1 | -64.6 | 178 | 0 | 0 | 0 | 110.7 | K103 I104 G111 I124 R127 F132 | K103-L107 WeakPolarHBondContact O-CG 3.46Å; K103-L107 PolarHBondContact O-N 3.14Å; I104-L107 WeakPolarHBondContact O-CB 3.26Å; I104-L107 PolarHBondContact O-N 3.22Å; I104-L107 VanDerWaalsContact O-N 3.14Å; L107-G111 WeakPolarHBondContact O-CA 3.07Å; L107-G111 PolarHBondContact O-N 3.31Å; L107-I124 HydrophobicContact CB-CD1 4.45Å; L107-I124 WeakPolarHBondContact O-CD1 3.36Å; L107-R127 HydrophobicContact CD1-CB 3.97Å; L107-R127 HydrophobicContact CD2-CB 4.04Å; L107-R127 HydrophobicContact CG-CB 4.45Å; L107-F132 HydrophobicContact CD1-CE2 4.32Å |
| 108 | I | 90.2 | Very high | 81.9 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.2 | -55.5 | 174.9 | -64.2 | 162.9 | 0 | 0 | 0 | 110.3 | P89 I104 L105 R106 Y110 G111 W112 I124 L156 F158 C160 | P89-I108 HydrophobicContact CB-CG2 4.17Å; P89-I108 HydrophobicContact CG-CB 4.17Å; P89-I108 HydrophobicContact CG-CG2 3.52Å; I104-I108 HydrophobicContact CG2-CD1 3.77Å; I104-I108 HydrophobicContact CG2-CG1 4.38Å; I104-I108 WeakPolarHBondContact O-CG1 3.45Å; I104-I108 PolarHBondContact O-N 3.07Å; L105-I108 HydrophobicContact CD2-CD1 4.45Å; R106-I108 PolarHBondContact O-N 2.82Å; I108-Y110 VanDerWaalsContact C-N 3.33Å; I108-Y110 PolarHBondContact O-N 3.22Å; I108-G111 PolarHBondContact O-N 2.87Å; I108-W112 HydrophobicContact CG2-CE3 4.18Å; I108-W112 WeakPolarHBondContact O-CB 3.27Å; I108-W112 PolarHBondContact O-N 3.07Å; I108-I124 HydrophobicContact CG1-CD1 4.43Å; I108-I124 HydrophobicContact CG1-CG1 4.28Å; I108-I124 HydrophobicContact CG1-CG2 3.94Å; I108-L156 HydrophobicContact CD1-CD2 3.87Å; I108-F158 HydrophobicContact CD1-CD1 4.03Å; I108-F158 HydrophobicContact CD1-CD2 3.98Å; I108-F158 HydrophobicContact CD1-CE1 3.76Å; I108-F158 HydrophobicContact CD1-CE2 3.7Å; I108-F158 HydrophobicContact CD1-CG 4.14Å; I108-F158 HydrophobicContact CD1-CZ 3.58Å; I108-F158 HydrophobicContact CG1-CE2 4.14Å; I108-F158 HydrophobicContact CG1-CZ 4.05Å; I108-F158 HydrophobicContact CG2-CD2 4.18Å; I108-F158 HydrophobicContact CG2-CE2 3.68Å; I108-F158 HydrophobicContact CG2-CZ 4.38Å; I108-C160 WeakPolarHBondContact CG2-SG 3.45Å |
| 109 | K | 84.2 | Confident | 80.7 | Confident | 31 Ų | 31 | 60.4 Ų | 60.4 | 14% | 0.135 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -53.8 | -47.3 | -176.7 | -175.5 | -173.9 | 177.7 | -161.2 | 0 | 112.3 | P83 L86 L105 R106 | P83-K109 VanDerWaalsContact CB-NZ 3.28Å; P83-K109 WeakPolarHBondContact O-CE 3.4Å; L86-K109 WeakPolarHBondContact CD1-O 3.48Å; L105-K109 VanDerWaalsContact O-CB 3.26Å; L105-K109 WeakPolarHBondContact O-CB 3.35Å; L105-K109 PolarHBondContact O-N 3.29Å; R106-K109 PolarHBondContact O-N 2.83Å |
| 110 | Y | 78.5 | Confident | 80.3 | Confident | 37 Ų | 37 | 55 Ų | 55 | 15% | 0.145 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -85.1 | -26.2 | -175.8 | -60.6 | -61.7 | 0 | 0 | 0 | 113.4 | D18 V20 E54 P83 R106 I108 | D18-Y110 HydrophobicContact CB-CD1 4.25Å; D18-Y110 WeakPolarHBondContact OD2-CD1 3.22Å; V20-Y110 HydrophobicContact CB-CE1 4.24Å; V20-Y110 HydrophobicContact CG2-CD1 4.34Å; V20-Y110 HydrophobicContact CG2-CE1 3.44Å; V20-Y110 VanDerWaalsContact CG2-CE1 3.44Å; E54-Y110 PolarHBondContact OE2-OH 3.37Å; P83-Y110 HydrophobicContact CB-CE1 3.6Å; P83-Y110 HydrophobicContact CG-CE1 3.64Å; R106-Y110 HydrophobicContact CB-CD2 4.02Å; R106-Y110 HydrophobicContact CB-CE2 4Å; R106-Y110 HydrophobicContact CG-CE2 4.2Å; R106-Y110 WeakPolarHBondContact O-CD2 3.48Å; R106-Y110 PolarHBondContact O-N 2.93Å; I108-Y110 VanDerWaalsContact C-N 3.33Å; I108-Y110 PolarHBondContact O-N 3.22Å |
| 111 | G | 79.4 | Confident | 80.1 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 19% | 0.186 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -90.7 | -10.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | L107 I108 N113 | L107-G111 WeakPolarHBondContact O-CA 3.07Å; L107-G111 PolarHBondContact O-N 3.31Å; I108-G111 PolarHBondContact O-N 2.87Å; G111-N113 PolarHBondContact O-N 3.08Å |
| 112 | W | 81.1 | Confident | 79.8 | Confident | 28 Ų | 28 | 59.1 Ų | 59.1 | 11% | 0.106 | 29% | 0.294 | C | S | . | . | trans | -81.2 | 113.3 | -172.2 | -164.2 | -90 | 0 | 0 | 0 | 113.1 | I108 D117 N120 F158 C160 L167 | I108-W112 HydrophobicContact CG2-CE3 4.18Å; I108-W112 WeakPolarHBondContact O-CB 3.27Å; I108-W112 PolarHBondContact O-N 3.07Å; W112-D117 HydrophobicContact CZ2-CB 4.26Å; W112-D117 VanDerWaalsContact CZ2-OD1 3.31Å; W112-D117 WeakPolarHBondContact CZ2-OD1 3.35Å; W112-N120 HydrophobicContact CD2-CB 4.13Å; W112-N120 HydrophobicContact CE3-CB 3.75Å; W112-N120 HydrophobicContact CH2-CB 4.3Å; W112-N120 HydrophobicContact CZ3-CB 3.85Å; W112-F158 HydrophobicContact CZ3-CE2 4.18Å; W112-F158 HydrophobicContact CZ3-CZ 4.49Å; W112-C160 HydrophobicContact CD2-CB 3.65Å; W112-C160 VanDerWaalsContact CD2-SG 3.51Å; W112-C160 HydrophobicContact CE3-CB 4.26Å; W112-C160 VanDerWaalsContact CE3-SG 3.57Å; W112-C160 HydrophobicContact CG-CB 4.01Å; W112-C160 HydrophobicContact CH2-CB 4.29Å; W112-C160 HydrophobicContact CZ2-CB 3.69Å; W112-L167 HydrophobicContact CH2-CD1 3.67Å; W112-L167 HydrophobicContact CH2-CD2 3.87Å; W112-L167 HydrophobicContact CH2-CG 4.45Å; W112-L167 HydrophobicContact CZ2-CD1 4.4Å; W112-L167 HydrophobicContact CZ3-CD1 4.33Å; W112-L167 HydrophobicContact CZ3-CD2 4.37Å | ||
| 113 | N | 76 | Confident | 79.7 | Confident | 82 Ų | 82 | 59.1 Ų | 59.1 | 44% | 0.439 | 29% | 0.294 | S | S | . | . | trans | -101.7 | 108.5 | 170.8 | -177.5 | -13.3 | 0 | 0 | 0 | 111.4 | G111 Q115 N116 N120 | G111-N113 PolarHBondContact O-N 3.08Å; N113-Q115 PolarHBondContact O-N 3.4Å; N113-Q115 WeakPolarHBondContact OD1-CB 3.47Å; N113-Q115 PolarHBondContact OD1-N 3.46Å; N113-N116 PolarHBondContact O-N 3.32Å; N113-N120 VanDerWaalsContact C-ND2 3.34Å; N113-N120 WeakPolarHBondContact CB-OD1 3.46Å; N113-N120 VanDerWaalsContact N-CG 3.34Å; N113-N120 PolarHBondContact N-ND2 3.34Å; N113-N120 PolarHBondContact N-OD1 2.87Å; N113-N120 PolarHBondContact O-ND2 2.79Å; N113-N120 PolarHBondContact O-OD1 2.85Å | ||
| 114 | K | 66.7 | Low | 79.8 | Confident | 145 Ų | 145 | 56.2 Ų | 56.2 | 63% | 0.63 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -19.2 | 179.8 | -74 | -173.8 | 177.1 | 179.3 | 0 | 115.7 | N116 | K114-N116 VanDerWaalsContact C-N 3.32Š|
| 115 | Q | 67 | Low | 79.9 | Confident | 181 Ų | 181 | 56.9 Ų | 56.9 | 85% | 0.846 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -11.4 | -179.6 | -61 | -178.3 | 9.5 | 0 | 0 | 113.2 | N113 | N113-Q115 PolarHBondContact O-N 3.4Å; N113-Q115 WeakPolarHBondContact OD1-CB 3.47Å; N113-Q115 PolarHBondContact OD1-N 3.46Å |
| 116 | N | 69.5 | Low | 79.9 | Confident | 67 Ų | 67 | 56.7 Ų | 56.7 | 36% | 0.358 | 28% | 0.284 | S | S | . | . | trans | -154.7 | 76.8 | -171.6 | -165.1 | -4.9 | 0 | 0 | 0 | 114.3 | N113 K114 S118 S119 N120 | N113-N116 PolarHBondContact O-N 3.32Å; K114-N116 VanDerWaalsContact C-N 3.32Å; N116-S118 VanDerWaalsContact C-N 3.34Å; N116-S118 PolarHBondContact O-N 2.9Å; N116-S118 PolarHBondContact OD1-OG 3.48Å; N116-S119 VanDerWaalsContact ND2-CB 3.31Å; N116-S119 WeakPolarHBondContact ND2-CB 3.43Å; N116-S119 PolarHBondContact ND2-OG 2.8Å; N116-S119 PolarHBondContact O-N 3.29Å; N116-S119 PolarHBondContact OD1-N 2.82Å; N116-S119 PolarHBondContact OD1-OG 3.14Å; N116-N120 PolarHBondContact O-N 2.89Å; N116-N120 VanDerWaalsContact O-N 3.07Å; N116-N120 PolarHBondContact O-ND2 3.45Å; N116-N120 PolarHBondContact O-OD1 3.38Å | ||
| 117 | D | 61.3 | Low | 80.1 | Confident | 61 Ų | 61 | 58.8 Ų | 58.8 | 33% | 0.326 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.7 | -36.1 | -175.2 | -65.6 | -22.1 | 0 | 0 | 0 | 114.4 | W112 N120 L121 | W112-D117 HydrophobicContact CZ2-CB 4.26Å; W112-D117 VanDerWaalsContact CZ2-OD1 3.31Å; W112-D117 WeakPolarHBondContact CZ2-OD1 3.35Å; D117-N120 PolarHBondContact O-N 2.99Å; D117-L121 PolarHBondContact O-N 2.81Å |
| 118 | S | 61.8 | Low | 80.4 | Confident | 94 Ų | 94 | 57.1 Ų | 57.1 | 66% | 0.657 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -70.4 | -41.9 | -178.2 | 58.9 | 0 | 0 | 0 | 0 | 111.9 | N116 N120 | N116-S118 VanDerWaalsContact C-N 3.34Å; N116-S118 PolarHBondContact O-N 2.9Å; N116-S118 PolarHBondContact OD1-OG 3.48Å; S118-N120 VanDerWaalsContact C-N 3.34Å |
| 119 | S | 66.4 | Low | 80.6 | Confident | 57 Ų | 57 | 59.4 Ų | 59.4 | 40% | 0.399 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.1 | -33.8 | 174.2 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | N116 L121 Y122 E123 | N116-S119 VanDerWaalsContact ND2-CB 3.31Å; N116-S119 WeakPolarHBondContact ND2-CB 3.43Å; N116-S119 PolarHBondContact ND2-OG 2.8Å; N116-S119 PolarHBondContact O-N 3.29Å; N116-S119 PolarHBondContact OD1-N 2.82Å; N116-S119 PolarHBondContact OD1-OG 3.14Å; S119-L121 PolarHBondContact O-N 3.26Å; S119-Y122 PolarHBondContact O-N 2.99Å; S119-E123 WeakPolarHBondContact O-CG 3.26Å; S119-E123 PolarHBondContact O-N 3.32Å; S119-E123 VanDerWaalsContact O-N 3.08Å |
| 120 | N | 81.9 | Confident | 80.9 | Confident | 9 Ų | 9 | 68 Ų | 68 | 5% | 0.048 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.2 | -51.1 | 177.1 | -64.9 | -25.6 | 0 | 0 | 0 | 111.4 | W112 N113 N116 D117 S118 Y122 E123 I124 | W112-N120 HydrophobicContact CD2-CB 4.13Å; W112-N120 HydrophobicContact CE3-CB 3.75Å; W112-N120 HydrophobicContact CH2-CB 4.3Å; W112-N120 HydrophobicContact CZ3-CB 3.85Å; N113-N120 VanDerWaalsContact C-ND2 3.34Å; N113-N120 WeakPolarHBondContact CB-OD1 3.46Å; N113-N120 VanDerWaalsContact N-CG 3.34Å; N113-N120 PolarHBondContact N-ND2 3.34Å; N113-N120 PolarHBondContact N-OD1 2.87Å; N113-N120 PolarHBondContact O-ND2 2.79Å; N113-N120 PolarHBondContact O-OD1 2.85Å; N116-N120 PolarHBondContact O-N 2.89Å; N116-N120 VanDerWaalsContact O-N 3.07Å; N116-N120 PolarHBondContact O-ND2 3.45Å; N116-N120 PolarHBondContact O-OD1 3.38Å; D117-N120 PolarHBondContact O-N 2.99Å; S118-N120 VanDerWaalsContact C-N 3.34Å; N120-Y122 VanDerWaalsContact C-N 3.27Å; N120-Y122 PolarHBondContact O-N 3.1Å; N120-E123 PolarHBondContact O-N 2.82Å; N120-E123 VanDerWaalsContact O-N 3.15Å; N120-I124 VanDerWaalsContact O-CG1 3.3Å; N120-I124 WeakPolarHBondContact O-CG1 3.08Å; N120-I124 PolarHBondContact O-N 2.71Å |
| 121 | L | 87.9 | Confident | 81.5 | Confident | 14 Ų | 14 | 70.4 Ų | 70.4 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.7 | -38.2 | -174.3 | -172.3 | 59.2 | 0 | 0 | 0 | 111.8 | D117 S119 I124 T125 F158 L167 | D117-L121 PolarHBondContact O-N 2.81Å; S119-L121 PolarHBondContact O-N 3.26Å; L121-I124 PolarHBondContact O-N 2.83Å; L121-T125 WeakPolarHBondContact O-CG2 3.44Å; L121-T125 PolarHBondContact O-N 3.03Å; L121-F158 HydrophobicContact CD1-CZ 4.48Å; L121-L167 HydrophobicContact CB-CD2 4.31Å; L121-L167 HydrophobicContact CD1-CD2 3.98Å; L121-L167 HydrophobicContact CD2-CD2 3.73Å; L121-L167 HydrophobicContact CG-CD2 4.23Å |
| 122 | Y | 88.4 | Confident | 82.1 | Confident | 152 Ų | 152 | 72 Ų | 72 | 60% | 0.596 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.3 | -47.9 | 174 | 178.2 | -110.9 | 0 | 0 | 0 | 112.1 | S119 N120 I124 T125 I126 | S119-Y122 PolarHBondContact O-N 2.99Å; N120-Y122 VanDerWaalsContact C-N 3.27Å; N120-Y122 PolarHBondContact O-N 3.1Å; Y122-I124 VanDerWaalsContact C-N 3.31Å; Y122-I124 PolarHBondContact O-N 3.29Å; Y122-T125 WeakPolarHBondContact CA-OG1 3.39Å; Y122-T125 PolarHBondContact O-N 3.37Å; Y122-T125 VanDerWaalsContact O-N 3.08Å; Y122-T125 PolarHBondContact O-OG1 3.46Å; Y122-I126 HydrophobicContact CD1-CD1 3.76Å; Y122-I126 HydrophobicContact CE1-CD1 3.25Å; Y122-I126 HydrophobicContact CE1-CG1 4.27Å; Y122-I126 HydrophobicContact CE2-CD1 4.16Å; Y122-I126 HydrophobicContact CE2-CG1 4.36Å; Y122-I126 HydrophobicContact CG-CD1 4.42Å; Y122-I126 VanDerWaalsContact CZ-CD1 3.47Å; Y122-I126 PolarHBondContact O-N 3.48Å |
| 123 | E | 87.9 | Confident | 82.6 | Confident | 94 Ų | 94 | 72 Ų | 72 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 175.7 | -74.6 | -67.5 | 172.6 | 0 | 0 | 112.3 | S119 N120 T125 I126 R127 | S119-E123 WeakPolarHBondContact O-CG 3.26Å; S119-E123 PolarHBondContact O-N 3.32Å; S119-E123 VanDerWaalsContact O-N 3.08Å; N120-E123 PolarHBondContact O-N 2.82Å; N120-E123 VanDerWaalsContact O-N 3.15Å; E123-T125 VanDerWaalsContact C-N 3.33Å; E123-T125 PolarHBondContact O-N 2.99Å; E123-I126 PolarHBondContact O-N 2.91Å; E123-R127 WeakPolarHBondContact O-CG 3.36Å; E123-R127 PolarHBondContact O-N 2.82Å |
| 124 | I | 91.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 173.7 | -64 | -44.7 | 0 | 0 | 0 | 110.8 | L107 I108 N120 L121 Y122 I126 R127 C128 L169 | L107-I124 HydrophobicContact CB-CD1 4.45Å; L107-I124 WeakPolarHBondContact O-CD1 3.36Å; I108-I124 HydrophobicContact CG1-CD1 4.43Å; I108-I124 HydrophobicContact CG1-CG1 4.28Å; I108-I124 HydrophobicContact CG1-CG2 3.94Å; N120-I124 VanDerWaalsContact O-CG1 3.3Å; N120-I124 WeakPolarHBondContact O-CG1 3.08Å; N120-I124 PolarHBondContact O-N 2.71Å; L121-I124 PolarHBondContact O-N 2.83Å; Y122-I124 VanDerWaalsContact C-N 3.31Å; Y122-I124 PolarHBondContact O-N 3.29Å; I124-I126 PolarHBondContact O-N 2.74Å; I124-R127 PolarHBondContact O-N 2.77Å; I124-C128 WeakPolarHBondContact O-CB 3.28Å; I124-C128 PolarHBondContact O-N 2.85Å; I124-C128 PolarHBondContact O-SG 3.29Å; I124-L169 HydrophobicContact CG2-CD1 4.35Å; I124-L169 HydrophobicContact CG2-CD2 4.32Å |
| 125 | T | 93.3 | Very high | 84.6 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 9% | 0.086 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63 | -40.1 | 177 | 59.1 | 0 | 0 | 0 | 0 | 112.5 | L121 Y122 E123 R127 C128 D129 W136 L169 | L121-T125 WeakPolarHBondContact O-CG2 3.44Å; L121-T125 PolarHBondContact O-N 3.03Å; Y122-T125 WeakPolarHBondContact CA-OG1 3.39Å; Y122-T125 PolarHBondContact O-N 3.37Å; Y122-T125 VanDerWaalsContact O-N 3.08Å; Y122-T125 PolarHBondContact O-OG1 3.46Å; E123-T125 VanDerWaalsContact C-N 3.33Å; E123-T125 PolarHBondContact O-N 2.99Å; T125-R127 PolarHBondContact O-N 3.31Å; T125-C128 PolarHBondContact O-N 3.48Å; T125-D129 WeakPolarHBondContact O-CB 3.3Å; T125-D129 PolarHBondContact O-N 2.97Å; T125-W136 HydrophobicContact CG2-CB 4.47Å; T125-L169 HydrophobicContact CG2-CD1 3.76Å |
| 126 | I | 91.9 | Very high | 85.9 | Confident | 34 Ų | 34 | 61.7 Ų | 61.7 | 17% | 0.174 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 175.6 | -68.8 | 164.8 | 0 | 0 | 0 | 110.9 | Y122 E123 I124 C128 D129 R130 | Y122-I126 HydrophobicContact CD1-CD1 3.76Å; Y122-I126 HydrophobicContact CE1-CD1 3.25Å; Y122-I126 HydrophobicContact CE1-CG1 4.27Å; Y122-I126 HydrophobicContact CE2-CD1 4.16Å; Y122-I126 HydrophobicContact CE2-CG1 4.36Å; Y122-I126 HydrophobicContact CG-CD1 4.42Å; Y122-I126 VanDerWaalsContact CZ-CD1 3.47Å; Y122-I126 PolarHBondContact O-N 3.48Å; E123-I126 PolarHBondContact O-N 2.91Å; I124-I126 PolarHBondContact O-N 2.74Å; I126-C128 VanDerWaalsContact C-N 3.34Å; I126-D129 WeakPolarHBondContact O-CB 3.41Å; I126-D129 PolarHBondContact O-N 3.47Å; I126-R130 WeakPolarHBondContact O-CG 3.47Å; I126-R130 PolarHBondContact O-N 3.26Å; I126-R130 VanDerWaalsContact O-N 3.08Å |
| 127 | R | 90.7 | Very high | 87.1 | Confident | 81 Ų | 81 | 63.6 Ų | 63.6 | 31% | 0.306 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 178.8 | -69.2 | -178.2 | -177.6 | -157.1 | -2.9 | 111.2 | L107 E123 I124 T125 R130 E131 | L107-R127 HydrophobicContact CD1-CB 3.97Å; L107-R127 HydrophobicContact CD2-CB 4.04Å; L107-R127 HydrophobicContact CG-CB 4.45Å; E123-R127 WeakPolarHBondContact O-CG 3.36Å; E123-R127 PolarHBondContact O-N 2.82Å; I124-R127 PolarHBondContact O-N 2.77Å; T125-R127 PolarHBondContact O-N 3.31Å; R127-R130 PolarHBondContact O-N 2.99Å; R127-E131 WeakPolarHBondContact O-CB 3.44Å; R127-E131 PolarHBondContact O-N 3.13Å; R127-E131 VanDerWaalsContact O-N 3.07Å |
| 128 | C | 93.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 174.5 | -64.3 | 0 | 0 | 0 | 0 | 112 | I124 T125 I126 R130 E131 F132 W136 | I124-C128 WeakPolarHBondContact O-CB 3.28Å; I124-C128 PolarHBondContact O-N 2.85Å; I124-C128 PolarHBondContact O-SG 3.29Å; T125-C128 PolarHBondContact O-N 3.48Å; I126-C128 VanDerWaalsContact C-N 3.34Å; C128-R130 VanDerWaalsContact C-N 3.29Å; C128-R130 PolarHBondContact O-N 3.44Å; C128-E131 PolarHBondContact O-N 2.98Å; C128-F132 HydrophobicContact CB-CD2 4.23Å; C128-F132 PolarHBondContact O-N 2.86Å; C128-W136 VanDerWaalsContact C-CD1 3.42Å; C128-W136 HydrophobicContact CB-CB 3.78Å; C128-W136 HydrophobicContact CB-CD2 3.6Å; C128-W136 HydrophobicContact CB-CE3 4.26Å; C128-W136 HydrophobicContact CB-CG 3.33Å; C128-W136 PolarHBondContact O-NE1 2.87Å |
| 129 | D | 94.3 | Very high | 90.1 | Very high | 49 Ų | 49 | 62.4 Ų | 62.4 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.8 | -40.8 | 175.6 | -86.3 | -2.2 | 0 | 0 | 0 | 112.2 | T125 I126 G133 P134 R135 W136 | T125-D129 WeakPolarHBondContact O-CB 3.3Å; T125-D129 PolarHBondContact O-N 2.97Å; I126-D129 WeakPolarHBondContact O-CB 3.41Å; I126-D129 PolarHBondContact O-N 3.47Å; D129-G133 WeakPolarHBondContact CA-O 3.26Å; D129-G133 CarbonylContact O-C 3.57Å; D129-G133 VanDerWaalsContact O-CA 3.3Å; D129-G133 WeakPolarHBondContact O-CA 3.22Å; D129-G133 PolarHBondContact O-N 3.44Å; D129-P134 VanDerWaalsContact OD1-C 3.22Å; D129-P134 WeakPolarHBondContact OD1-CA 3.46Å; D129-R135 PolarHBondContact OD1-N 2.96Å; D129-W136 WeakPolarHBondContact OD1-CB 3.1Å; D129-W136 PolarHBondContact OD1-N 3.4Å |
| 130 | R | 91.1 | Very high | 91.4 | Very high | 210 Ų | 210 | 63.6 Ų | 63.6 | 79% | 0.792 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -70 | -39.9 | 177.7 | -70.4 | 175 | -178.1 | 175.1 | 3.4 | 112.7 | I126 R127 C128 | I126-R130 WeakPolarHBondContact O-CG 3.47Å; I126-R130 PolarHBondContact O-N 3.26Å; I126-R130 VanDerWaalsContact O-N 3.08Å; R127-R130 PolarHBondContact O-N 2.99Å; C128-R130 VanDerWaalsContact C-N 3.29Å; C128-R130 PolarHBondContact O-N 3.44Å |
| 131 | E | 89.9 | Confident | 92 | Very high | 88 Ų | 88 | 63.7 Ų | 63.7 | 41% | 0.411 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -83.3 | -39.3 | -172.9 | -174.7 | 66.9 | -170.8 | 0 | 0 | 113 | K103 R127 C128 | K103-E131 IonicContact NZ-OE1 3.86Å; K103-E131 PolarHBondContact NZ-OE1 3.28Å; R127-E131 WeakPolarHBondContact O-CB 3.44Å; R127-E131 PolarHBondContact O-N 3.13Å; R127-E131 VanDerWaalsContact O-N 3.07Å; C128-E131 PolarHBondContact O-N 2.98Å |
| 132 | F | 92.8 | Very high | 92.2 | Very high | 52 Ų | 52 | 73.8 Ų | 73.8 | 23% | 0.228 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -118.9 | 3.9 | -169.8 | -52.1 | -64.5 | 0 | 0 | 0 | 114.1 | M100 K103 I104 L107 C128 W136 | M100-F132 HydrophobicContact CE-CB 4.19Å; M100-F132 HydrophobicContact CE-CD1 3.56Å; M100-F132 HydrophobicContact CE-CE1 4.13Å; M100-F132 HydrophobicContact CE-CG 3.97Å; M100-F132 HydrophobicContact CG-CD1 4.31Å; M100-F132 HydrophobicContact CG-CE1 4.05Å; M100-F132 HydrophobicContact CG-CZ 4.22Å; K103-F132 HydrophobicContact CB-CE1 4.3Å; K103-F132 HydrophobicContact CB-CZ 3.63Å; K103-F132 HydrophobicContact CD-CE1 4.08Å; K103-F132 HydrophobicContact CD-CZ 4.16Å; I104-F132 HydrophobicContact CD1-CD2 4.32Å; I104-F132 HydrophobicContact CD1-CE2 3.97Å; I104-F132 HydrophobicContact CG1-CD2 4.22Å; I104-F132 HydrophobicContact CG1-CE2 3.42Å; I104-F132 VanDerWaalsContact CG1-CE2 3.42Å; I104-F132 HydrophobicContact CG1-CZ 3.98Å; L107-F132 HydrophobicContact CD1-CE2 4.32Å; C128-F132 HydrophobicContact CB-CD2 4.23Å; C128-F132 PolarHBondContact O-N 2.86Å; F132-W136 HydrophobicContact CB-CZ2 4.04Å; F132-W136 AromaticContact CD2-CZ2 4Å; F132-W136 HydrophobicContact CD2-CZ2 4Å; F132-W136 HydrophobicContact CG-CZ2 4.26Å |
| 133 | G | 92 | Very high | 92.4 | Very high | 28 Ų | 28 | 70.8 Ų | 70.8 | 29% | 0.289 | 33% | 0.33 | S | S | . | . | trans | 92.3 | 163.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D129 W136 | D129-G133 WeakPolarHBondContact CA-O 3.26Å; D129-G133 CarbonylContact O-C 3.57Å; D129-G133 VanDerWaalsContact O-CA 3.3Å; D129-G133 WeakPolarHBondContact O-CA 3.22Å; D129-G133 PolarHBondContact O-N 3.44Å; G133-W136 PolarHBondContact O-NE1 3.08Å | ||
| 134 | P | 91.8 | Very high | 92.7 | Very high | 88 Ų | 88 | 69.1 Ų | 69.1 | 57% | 0.571 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -70.8 | 167.9 | -165.3 | 31.7 | -37.9 | 0 | 0 | 0 | 112.8 | D129 L171 | D129-P134 VanDerWaalsContact OD1-C 3.22Å; D129-P134 WeakPolarHBondContact OD1-CA 3.46Å; P134-L171 VanDerWaalsContact O-CD1 3.32Å; P134-L171 WeakPolarHBondContact O-CD1 3.28Å |
| 135 | R | 91.6 | Very high | 92.9 | Very high | 102 Ų | 102 | 74.5 Ų | 74.5 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | trans | 88.9 | 22.2 | 170 | -50.1 | 165.4 | -176.8 | 171.7 | -8.4 | 115.2 | D129 R137 L171 A172 D174 | D129-R135 PolarHBondContact OD1-N 2.96Å; R135-R137 PolarHBondContact O-N 3.38Å; R135-L171 HydrophobicContact CB-CD1 4.17Å; R135-A172 HydrophobicContact CB-CB 4.24Å; R135-A172 WeakPolarHBondContact O-CB 3.49Å; R135-A172 PolarHBondContact O-N 3.45Å; R135-D174 IonicContact CZ-OD1 2.87Å; R135-D174 IonicContact CZ-OD2 3.58Å; R135-D174 IonicContact NE-OD1 3.84Å; R135-D174 IonicContact NH1-OD1 2.82Å; R135-D174 PolarHBondContact NH1-OD1 2.89Å; R135-D174 IonicContact NH1-OD2 2.73Å; R135-D174 PolarHBondContact NH1-OD2 3.39Å; R135-D174 IonicContact NH2-OD1 2.62Å; R135-D174 PolarHBondContact NH2-OD1 3.45Å; R135-D174 IonicContact NH2-OD2 3.66Å | ||
| 136 | W | 95 | Very high | 93 | Very high | 1 Ų | 1 | 75 Ų | 75 | 0% | 0.004 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 136 | 163.6 | -70.6 | 87.8 | 0 | 0 | 0 | 110.2 | L96 M100 I104 T125 C128 D129 F132 G133 L169 W170 | L96-W136 HydrophobicContact CD2-CH2 4.11Å; M100-W136 HydrophobicContact SD-CH2 4.43Å; M100-W136 HydrophobicContact SD-CZ2 4.36Å; I104-W136 HydrophobicContact CD1-CH2 3.3Å; I104-W136 HydrophobicContact CD1-CZ2 3.92Å; I104-W136 HydrophobicContact CD1-CZ3 3.68Å; T125-W136 HydrophobicContact CG2-CB 4.47Å; C128-W136 VanDerWaalsContact C-CD1 3.42Å; C128-W136 HydrophobicContact CB-CB 3.78Å; C128-W136 HydrophobicContact CB-CD2 3.6Å; C128-W136 HydrophobicContact CB-CE3 4.26Å; C128-W136 HydrophobicContact CB-CG 3.33Å; C128-W136 PolarHBondContact O-NE1 2.87Å; D129-W136 WeakPolarHBondContact OD1-CB 3.1Å; D129-W136 PolarHBondContact OD1-N 3.4Å; F132-W136 HydrophobicContact CB-CZ2 4.04Å; F132-W136 AromaticContact CD2-CZ2 4Å; F132-W136 HydrophobicContact CD2-CZ2 4Å; F132-W136 HydrophobicContact CG-CZ2 4.26Å; G133-W136 PolarHBondContact O-NE1 3.08Å; W136-L169 HydrophobicContact CE3-CD1 4.14Å; W136-L169 HydrophobicContact CE3-CD2 3.97Å; W136-L169 HydrophobicContact CE3-CG 3.72Å; W136-L169 HydrophobicContact CZ3-CD2 3.97Å; W136-L169 HydrophobicContact CZ3-CG 3.98Å; W136-W170 CarbonylContact C-O 3.57Å; W136-W170 WeakPolarHBondContact CA-O 3.29Å |
| 137 | R | 94.2 | Very high | 93 | Very high | 108 Ų | 108 | 74.2 Ų | 74.2 | 41% | 0.408 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 149.7 | 179 | -62.9 | -63.6 | 178.3 | -98.1 | 1.1 | 108.3 | R135 L169 W170 A172 | R135-R137 PolarHBondContact O-N 3.38Å; R137-L169 CarbonylContact O-C 3.57Å; R137-L169 VanDerWaalsContact O-CA 3.31Å; R137-L169 WeakPolarHBondContact O-CA 3.47Å; R137-L169 WeakPolarHBondContact O-CD1 3.41Å; R137-W170 HydrophobicContact CB-CD2 3.87Å; R137-W170 VanDerWaalsContact CB-CE2 3.49Å; R137-W170 HydrophobicContact CB-CE3 4.11Å; R137-W170 HydrophobicContact CB-CH2 3.67Å; R137-W170 HydrophobicContact CB-CZ2 3.4Å; R137-W170 HydrophobicContact CB-CZ3 4.02Å; R137-W170 HydrophobicContact CG-CZ2 4.15Å; R137-W170 PolarHBondContact N-O 3.3Å; R137-W170 VanDerWaalsContact O-CE3 3.29Å; R137-W170 PolarHBondContact O-N 3.16Å; R137-A172 HydrophobicContact CG-CB 3.95Å |
| 138 | G | 93.6 | Very high | 93.1 | Very high | 26 Ų | 26 | 78.9 Ų | 78.9 | 27% | 0.268 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 140.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | C168 | G138-C168 VanDerWaalsContact CA-O 3.28Å; G138-C168 WeakPolarHBondContact CA-O 3.32Å |
| 139 | R | 93.4 | Very high | 92.9 | Very high | 104 Ų | 104 | 81.7 Ų | 81.7 | 39% | 0.392 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 157.8 | 166 | 73.6 | -175.2 | -172.9 | -160 | -3.7 | 111.8 | I141 I147 E149 C168 W170 | R139-I141 HydrophobicContact CG-CG2 4.05Å; R139-I147 VanDerWaalsContact NH2-CB 3.26Å; R139-I147 VanDerWaalsContact NH2-CD1 3.3Å; R139-E149 IonicContact NH1-OE1 3.78Å; R139-E149 IonicContact NH2-OE1 3.51Å; R139-E149 IonicContact NH2-OE2 3.37Å; R139-E149 PolarHBondContact NH2-OE2 3Å; R139-C168 PolarHBondContact N-O 3.37Å; R139-C168 PolarHBondContact O-N 3.11Å; R139-W170 HydrophobicContact CB-CH2 4.37Å; R139-W170 HydrophobicContact CB-CZ3 4.3Å; R139-W170 HydrophobicContact CG-CH2 3.97Å; R139-W170 HydrophobicContact CG-CZ3 3.86Å |
| 140 | V | 93 | Very high | 92.7 | Very high | 81 Ų | 81 | 79.4 Ų | 79.4 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 140.6 | 168.3 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | T165 I166 L167 | V140-T165 HydrophobicContact CB-CG2 4.46Å; V140-T165 HydrophobicContact CG1-CG2 3.78Å; V140-T165 HydrophobicContact CG2-CG2 3.86Å; V140-I166 CarbonylContact C-O 3.4Å; V140-I166 WeakPolarHBondContact CA-O 3.07Å; V140-L167 HydrophobicContact CG2-CD2 4.28Å |
| 141 | I | 94.1 | Very high | 92.6 | Very high | 11 Ų | 11 | 72.1 Ų | 72.1 | 6% | 0.056 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 163.9 | 179.4 | 64.7 | 162.1 | 0 | 0 | 0 | 110.7 | R139 N143 Q145 I147 V157 I166 C168 | R139-I141 HydrophobicContact CG-CG2 4.05Å; I141-N143 WeakPolarHBondContact CD1-O 3.33Å; I141-N143 WeakPolarHBondContact CG1-O 3.34Å; I141-Q145 WeakPolarHBondContact CD1-O 3.43Å; I141-I147 HydrophobicContact CG2-CG2 3.53Å; I141-V157 HydrophobicContact CD1-CG1 3.87Å; I141-V157 HydrophobicContact CD1-CG2 4.36Å; I141-I166 HydrophobicContact CD1-CG2 4.02Å; I141-I166 HydrophobicContact CG1-CB 4.09Å; I141-I166 HydrophobicContact CG1-CG2 3.71Å; I141-I166 PolarHBondContact N-O 2.92Å; I141-C168 HydrophobicContact CD1-CB 3.97Å; I141-C168 HydrophobicContact CG1-CB 4.26Å; I141-C168 HydrophobicContact CG2-CB 3.73Å |
| 142 | Y | 92.3 | Very high | 92.4 | Very high | 227 Ų | 227 | 73.9 Ų | 73.9 | 89% | 0.89 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -102.2 | -1 | -173.3 | -57.3 | -73.8 | 0 | 0 | 0 | 114.5 | ||
| 143 | N | 92 | Very high | 92.2 | Very high | 89 Ų | 89 | 72.1 Ų | 72.1 | 48% | 0.476 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -140.7 | 172.9 | -179.6 | 66.1 | 61.2 | 0 | 0 | 0 | 110.3 | I141 Q145 I166 | I141-N143 WeakPolarHBondContact CD1-O 3.33Å; I141-N143 WeakPolarHBondContact CG1-O 3.34Å; N143-Q145 VanDerWaalsContact C-N 3.31Å; N143-Q145 WeakPolarHBondContact OD1-CA 3.4Å; N143-Q145 WeakPolarHBondContact OD1-CB 3.49Å; N143-Q145 PolarHBondContact OD1-N 3.15Å; N143-Q145 PolarHBondContact OD1-O 3.08Å; N143-I166 WeakPolarHBondContact O-CG2 3.3Å |
| 144 | T | 95.4 | Very high | 92.4 | Very high | 58 Ų | 58 | 75.2 Ų | 75.2 | 36% | 0.356 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -88.4 | 4.4 | -175.7 | 53.7 | 0 | 0 | 0 | 0 | 114 | Y92 S93 I166 | Y92-T144 HydrophobicContact CD1-CG2 3.48Å; Y92-T144 VanDerWaalsContact CD1-CG2 3.48Å; Y92-T144 HydrophobicContact CD2-CG2 4.24Å; Y92-T144 HydrophobicContact CE1-CG2 3.86Å; Y92-T144 HydrophobicContact CG-CG2 3.7Å; S93-T144 PolarHBondContact OG-O 2.96Å; T144-I166 HydrophobicContact CG2-CD1 3.97Å |
| 145 | Q | 95.5 | Very high | 92.7 | Very high | 113 Ų | 113 | 72.7 Ų | 72.7 | 53% | 0.528 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -100.1 | 151.2 | 179.8 | -61.4 | -59.2 | -50.8 | 0 | 0 | 110.6 | I141 N143 | I141-Q145 WeakPolarHBondContact CD1-O 3.43Å; N143-Q145 VanDerWaalsContact C-N 3.31Å; N143-Q145 WeakPolarHBondContact OD1-CA 3.4Å; N143-Q145 WeakPolarHBondContact OD1-CB 3.49Å; N143-Q145 PolarHBondContact OD1-N 3.15Å; N143-Q145 PolarHBondContact OD1-O 3.08Å |
| 146 | P | 94.7 | Very high | 92.9 | Very high | 24 Ų | 24 | 67.9 Ų | 67.9 | 16% | 0.156 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 154.6 | 173.9 | 28.6 | -36.7 | 0 | 0 | 0 | 111 | A150 A151 Y155 V157 | P146-A150 HydrophobicContact CB-CB 4.16Å; P146-A151 HydrophobicContact CB-CB 4.5Å; P146-A151 HydrophobicContact CG-CB 4.15Å; P146-Y155 HydrophobicContact CB-CD1 4.18Å; P146-Y155 HydrophobicContact CB-CD2 3.68Å; P146-Y155 HydrophobicContact CB-CE1 4.27Å; P146-Y155 HydrophobicContact CB-CE2 3.78Å; P146-Y155 HydrophobicContact CB-CG 3.89Å; P146-Y155 HydrophobicContact CG-CD1 4.39Å; P146-Y155 HydrophobicContact CG-CD2 4.17Å; P146-Y155 HydrophobicContact CG-CE1 3.99Å; P146-Y155 HydrophobicContact CG-CE2 3.74Å; P146-Y155 HydrophobicContact CG-CG 4.48Å; P146-V157 HydrophobicContact CB-CG2 4.3Å |
| 147 | I | 93.2 | Very high | 93 | Very high | 18 Ų | 18 | 67.8 Ų | 67.8 | 9% | 0.092 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 157.2 | 168.1 | 63.2 | 172.2 | 0 | 0 | 0 | 109.6 | R139 I141 E149 A150 A151 W170 | R139-I147 VanDerWaalsContact NH2-CB 3.26Å; R139-I147 VanDerWaalsContact NH2-CD1 3.3Å; I141-I147 HydrophobicContact CG2-CG2 3.53Å; I147-E149 VanDerWaalsContact CB-OE2 3.29Å; I147-E149 WeakPolarHBondContact CB-OE2 3.39Å; I147-E149 HydrophobicContact CD1-CB 4.25Å; I147-E149 HydrophobicContact CG1-CB 4.45Å; I147-E149 WeakPolarHBondContact CG1-OE2 3.21Å; I147-E149 PolarHBondContact O-N 2.64Å; I147-E149 VanDerWaalsContact O-N 3.16Å; I147-A150 HydrophobicContact CD1-CB 4.25Å; I147-A150 HydrophobicContact CG1-CB 3.47Å; I147-A150 VanDerWaalsContact CG1-CB 3.47Å; I147-A150 PolarHBondContact O-N 2.86Å; I147-A150 VanDerWaalsContact O-N 3.11Å; I147-A151 PolarHBondContact O-N 2.92Å; I147-W170 HydrophobicContact CD1-CD2 3.96Å; I147-W170 HydrophobicContact CD1-CE3 3.89Å; I147-W170 HydrophobicContact CD1-CH2 3.61Å; I147-W170 HydrophobicContact CD1-CZ2 3.65Å; I147-W170 HydrophobicContact CD1-CZ3 3.72Å |
| 148 | K | 91.9 | Very high | 93.1 | Very high | 179 Ų | 179 | 62.7 Ų | 62.7 | 78% | 0.778 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -35.7 | -174.2 | -68.1 | -175.9 | 179.4 | -180 | 0 | 112.6 | ||
| 149 | E | 89 | Confident | 93.1 | Very high | 60 Ų | 60 | 61.4 Ų | 61.4 | 28% | 0.28 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -45.5 | 179.9 | -51.9 | 90.2 | 150.5 | 0 | 0 | 110.7 | R139 I147 K152 | R139-E149 IonicContact NH1-OE1 3.78Å; R139-E149 IonicContact NH2-OE1 3.51Å; R139-E149 IonicContact NH2-OE2 3.37Å; R139-E149 PolarHBondContact NH2-OE2 3Å; I147-E149 VanDerWaalsContact CB-OE2 3.29Å; I147-E149 WeakPolarHBondContact CB-OE2 3.39Å; I147-E149 HydrophobicContact CD1-CB 4.25Å; I147-E149 HydrophobicContact CG1-CB 4.45Å; I147-E149 WeakPolarHBondContact CG1-OE2 3.21Å; I147-E149 PolarHBondContact O-N 2.64Å; I147-E149 VanDerWaalsContact O-N 3.16Å; E149-K152 PolarHBondContact O-N 3.25Å |
| 150 | A | 91.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -67.6 | -35.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | P146 I147 K152 G153 W170 | P146-A150 HydrophobicContact CB-CB 4.16Å; I147-A150 HydrophobicContact CD1-CB 4.25Å; I147-A150 HydrophobicContact CG1-CB 3.47Å; I147-A150 VanDerWaalsContact CG1-CB 3.47Å; I147-A150 PolarHBondContact O-N 2.86Å; I147-A150 VanDerWaalsContact O-N 3.11Å; A150-K152 PolarHBondContact O-N 3.5Å; A150-K152 VanDerWaalsContact O-N 3.13Å; A150-G153 CarbonylContact O-C 3.53Å; A150-G153 PolarHBondContact O-N 3.41Å; A150-W170 HydrophobicContact CB-CB 3.41Å; A150-W170 VanDerWaalsContact CB-CB 3.41Å; A150-W170 HydrophobicContact CB-CD2 4.1Å; A150-W170 HydrophobicContact CB-CG 3.58Å |
| 151 | A | 87.9 | Confident | 92.5 | Very high | 57 Ų | 57 | 54.6 Ų | 54.6 | 47% | 0.471 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -62.4 | -20.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P146 I147 G153 | P146-A151 HydrophobicContact CB-CB 4.5Å; P146-A151 HydrophobicContact CG-CB 4.15Å; I147-A151 PolarHBondContact O-N 2.92Å; A151-G153 VanDerWaalsContact C-N 3.35Å |
| 152 | K | 85.6 | Confident | 92.2 | Very high | 126 Ų | 126 | 60.3 Ų | 60.3 | 55% | 0.548 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -82.1 | -11.6 | 175.7 | -61.9 | 178.5 | -177.9 | 177.9 | 0 | 113.3 | E149 A150 N173 E176 | E149-K152 PolarHBondContact O-N 3.25Å; A150-K152 PolarHBondContact O-N 3.5Å; A150-K152 VanDerWaalsContact O-N 3.13Å; K152-N173 PolarHBondContact O-ND2 3.24Å; K152-E176 VanDerWaalsContact NZ-CD 3.29Å; K152-E176 IonicContact NZ-OE1 3.17Å; K152-E176 PolarHBondContact NZ-OE1 2.68Å; K152-E176 VanDerWaalsContact NZ-OE1 3.17Å; K152-E176 IonicContact NZ-OE2 2.68Å; K152-E176 PolarHBondContact NZ-OE2 3.17Å |
| 153 | G | 89.9 | Confident | 92 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 16% | 0.155 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -134.5 | -155.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N95 A150 A151 | N95-G153 PolarHBondContact ND2-O 2.98Å; A150-G153 CarbonylContact O-C 3.53Å; A150-G153 PolarHBondContact O-N 3.41Å; A151-G153 VanDerWaalsContact C-N 3.35Å |
| 154 | K | 95.4 | Very high | 91.8 | Very high | 92 Ų | 92 | 54.7 Ų | 54.7 | 40% | 0.4 | 28% | 0.281 | S | S | . | . | trans | -83.4 | 134.3 | 174.4 | -71.8 | -177 | -176.8 | 179.2 | 0 | 110 | N95 L96 M100 W170 L171 | N95-K154 WeakPolarHBondContact OD1-CA 3.36Å; L96-K154 HydrophobicContact CD2-CB 3.68Å; L96-K154 HydrophobicContact CD2-CD 4.35Å; L96-K154 HydrophobicContact CD2-CG 4.26Å; M100-K154 HydrophobicContact SD-CD 3.85Å; K154-W170 CarbonylContact O-C 3.25Å; K154-W170 WeakPolarHBondContact O-CA 3.41Å; K154-W170 WeakPolarHBondContact O-CB 3.31Å; K154-L171 HydrophobicContact CB-CB 4.12Å; K154-L171 HydrophobicContact CD-CD2 4.4Å; K154-L171 PolarHBondContact O-N 3.07Å | ||
| 155 | Y | 96.9 | Very high | 91.6 | Very high | 36 Ų | 36 | 53.5 Ų | 53.5 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 158.2 | -179 | 76.2 | -93.6 | 0 | 0 | 0 | 114 | S94 N95 L96 P146 V157 L169 | S94-Y155 WeakPolarHBondContact CA-O 3.36Å; S94-Y155 PolarHBondContact OG-O 3.48Å; N95-Y155 HydrophobicContact CB-CD1 4.23Å; N95-Y155 HydrophobicContact CB-CE1 3.75Å; N95-Y155 VanDerWaalsContact CG-CD1 3.41Å; N95-Y155 VanDerWaalsContact CG-CE1 3.42Å; N95-Y155 PolarHBondContact N-O 3.04Å; N95-Y155 WeakPolarHBondContact ND2-CD1 3.46Å; N95-Y155 WeakPolarHBondContact ND2-CE1 3.26Å; N95-Y155 WeakPolarHBondContact OD1-CD1 3.36Å; N95-Y155 PolarHBondContact OD1-N 3.41Å; N95-Y155 PolarHBondContact OD1-O 2.93Å; L96-Y155 WeakPolarHBondContact CG-O 3.48Å; P146-Y155 HydrophobicContact CB-CD1 4.18Å; P146-Y155 HydrophobicContact CB-CD2 3.68Å; P146-Y155 HydrophobicContact CB-CE1 4.27Å; P146-Y155 HydrophobicContact CB-CE2 3.78Å; P146-Y155 HydrophobicContact CB-CG 3.89Å; P146-Y155 HydrophobicContact CG-CD1 4.39Å; P146-Y155 HydrophobicContact CG-CD2 4.17Å; P146-Y155 HydrophobicContact CG-CE1 3.99Å; P146-Y155 HydrophobicContact CG-CE2 3.74Å; P146-Y155 HydrophobicContact CG-CG 4.48Å; Y155-V157 HydrophobicContact CD2-CG2 4.08Å; Y155-V157 HydrophobicContact CE2-CG2 4.31Å; Y155-L169 CarbonylContact C-O 3.55Å; Y155-L169 VanDerWaalsContact CA-O 3.26Å; Y155-L169 WeakPolarHBondContact CA-O 3.45Å |
| 156 | L | 97.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 123.6 | 170.3 | 177.5 | 65.3 | 0 | 0 | 0 | 109.3 | V91 L96 Q101 I104 L105 I108 F158 L169 | V91-L156 HydrophobicContact CB-CD1 4.5Å; V91-L156 HydrophobicContact CG1-CD1 3.66Å; V91-L156 HydrophobicContact CG2-CD1 4.08Å; L96-L156 HydrophobicContact CD1-CB 3.95Å; Q101-L156 HydrophobicContact CG-CD1 4.39Å; I104-L156 HydrophobicContact CB-CD2 4.41Å; I104-L156 HydrophobicContact CG2-CD2 3.49Å; I104-L156 VanDerWaalsContact CG2-CD2 3.49Å; L105-L156 HydrophobicContact CD2-CD2 4.17Å; I108-L156 HydrophobicContact CD1-CD2 3.87Å; L156-F158 HydrophobicContact CD2-CD1 4.11Å; L156-F158 HydrophobicContact CG-CB 4.45Å; L156-F158 HydrophobicContact CG-CD1 4.01Å; L156-L169 PolarHBondContact N-O 2.81Å; L156-L169 PolarHBondContact O-N 3.19Å |
| 157 | V | 97.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 122.6 | 170.9 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | Y92 S93 I141 P146 Y155 I166 L167 C168 | Y92-V157 HydrophobicContact CD2-CG1 4.34Å; Y92-V157 PolarHBondContact N-O 2.71Å; S93-V157 PolarHBondContact N-O 3.19Å; S93-V157 PolarHBondContact O-N 3.36Å; S93-V157 WeakPolarHBondContact OG-CB 3.14Å; S93-V157 WeakPolarHBondContact OG-CG2 3.34Å; I141-V157 HydrophobicContact CD1-CG1 3.87Å; I141-V157 HydrophobicContact CD1-CG2 4.36Å; P146-V157 HydrophobicContact CB-CG2 4.3Å; Y155-V157 HydrophobicContact CD2-CG2 4.08Å; Y155-V157 HydrophobicContact CE2-CG2 4.31Å; V157-I166 HydrophobicContact CG1-CG2 3.5Å; V157-I166 VanDerWaalsContact CG1-CG2 3.5Å; V157-L167 CarbonylContact C-O 3.5Å; V157-L167 VanDerWaalsContact CA-O 3.28Å; V157-L167 WeakPolarHBondContact CA-O 3.37Å; V157-C168 HydrophobicContact CG2-CB 4.44Å |
| 158 | F | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 171.7 | -173.2 | 70.7 | -79.9 | 0 | 0 | 0 | 113.1 | P89 I90 I108 W112 L121 L156 C160 L167 L169 | P89-F158 HydrophobicContact CB-CD2 4.21Å; I90-F158 CarbonylContact O-C 3.58Å; I90-F158 WeakPolarHBondContact O-CA 3.41Å; I90-F158 WeakPolarHBondContact O-CB 3.44Å; I108-F158 HydrophobicContact CD1-CD1 4.03Å; I108-F158 HydrophobicContact CD1-CD2 3.98Å; I108-F158 HydrophobicContact CD1-CE1 3.76Å; I108-F158 HydrophobicContact CD1-CE2 3.7Å; I108-F158 HydrophobicContact CD1-CG 4.14Å; I108-F158 HydrophobicContact CD1-CZ 3.58Å; I108-F158 HydrophobicContact CG1-CE2 4.14Å; I108-F158 HydrophobicContact CG1-CZ 4.05Å; I108-F158 HydrophobicContact CG2-CD2 4.18Å; I108-F158 HydrophobicContact CG2-CE2 3.68Å; I108-F158 HydrophobicContact CG2-CZ 4.38Å; W112-F158 HydrophobicContact CZ3-CE2 4.18Å; W112-F158 HydrophobicContact CZ3-CZ 4.49Å; L121-F158 HydrophobicContact CD1-CZ 4.48Å; L156-F158 HydrophobicContact CD2-CD1 4.11Å; L156-F158 HydrophobicContact CG-CB 4.45Å; L156-F158 HydrophobicContact CG-CD1 4.01Å; F158-C160 VanDerWaalsContact CE2-SG 3.54Å; F158-L167 HydrophobicContact CD1-CB 4.27Å; F158-L167 HydrophobicContact CD2-CD1 4.37Å; F158-L167 HydrophobicContact CE1-CB 3.83Å; F158-L167 HydrophobicContact CE2-CB 4.25Å; F158-L167 HydrophobicContact CE2-CD1 3.92Å; F158-L167 HydrophobicContact CZ-CB 3.83Å; F158-L167 HydrophobicContact CZ-CD1 4.25Å; F158-L167 HydrophobicContact CZ-CG 4.46Å; F158-L167 PolarHBondContact N-O 3.5Å; F158-L167 PolarHBondContact O-N 3.32Å; F158-L169 HydrophobicContact CE1-CB 4.06Å |
| 159 | S | 92.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 143.3 | 170 | 165.6 | 0 | 0 | 0 | 0 | 110.6 | P89 I90 D161 G163 T165 | P89-S159 CarbonylContact C-O 3.17Å; P89-S159 VanDerWaalsContact CA-O 3.27Å; P89-S159 WeakPolarHBondContact CA-O 3.41Å; I90-S159 PolarHBondContact N-O 2.6Å; I90-S159 PolarHBondContact O-N 2.8Å; S159-D161 PolarHBondContact OG-N 2.87Å; S159-D161 PolarHBondContact OG-OD1 2.69Å; S159-G163 VanDerWaalsContact OG-CA 3.26Å; S159-G163 WeakPolarHBondContact OG-CA 3.05Å; S159-G163 PolarHBondContact OG-N 2.73Å; S159-T165 WeakPolarHBondContact CA-O 2.98Å; S159-T165 WeakPolarHBondContact CB-O 3.41Å; S159-T165 PolarHBondContact OG-O 2.98Å |
| 160 | C | 88.7 | Confident | 92.1 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.034 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -106.2 | 1.5 | 177.2 | -66 | 0 | 0 | 0 | 0 | 113.6 | I108 W112 F158 | I108-C160 WeakPolarHBondContact CG2-SG 3.45Å; W112-C160 HydrophobicContact CD2-CB 3.65Å; W112-C160 VanDerWaalsContact CD2-SG 3.51Å; W112-C160 HydrophobicContact CE3-CB 4.26Å; W112-C160 VanDerWaalsContact CE3-SG 3.57Å; W112-C160 HydrophobicContact CG-CB 4.01Å; W112-C160 HydrophobicContact CH2-CB 4.29Å; W112-C160 HydrophobicContact CZ2-CB 3.69Å; F158-C160 VanDerWaalsContact CE2-SG 3.54Å |
| 161 | D | 87 | Confident | 92.3 | Very high | 36 Ų | 36 | 38.7 Ų | 38.7 | 19% | 0.193 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -133.9 | 35.2 | -169.3 | 62 | 2.1 | 0 | 0 | 0 | 112.4 | S159 G163 Q164 T165 | S159-D161 PolarHBondContact OG-N 2.87Å; S159-D161 PolarHBondContact OG-OD1 2.69Å; D161-G163 VanDerWaalsContact C-N 3.25Å; D161-G163 PolarHBondContact O-N 2.62Å; D161-Q164 HydrophobicContact CB-CB 4.41Å; D161-Q164 WeakPolarHBondContact O-CG 3.42Å; D161-Q164 PolarHBondContact O-N 2.82Å; D161-Q164 PolarHBondContact OD1-N 3.03Å; D161-Q164 VanDerWaalsContact OD1-N 3.1Å; D161-Q164 WeakPolarHBondContact OD2-CB 3.39Å; D161-T165 VanDerWaalsContact CG-N 3.26Å; D161-T165 PolarHBondContact OD1-N 2.97Å; D161-T165 WeakPolarHBondContact OD2-CB 3.46Å; D161-T165 PolarHBondContact OD2-N 2.78Å; D161-T165 PolarHBondContact OD2-OG1 3.17Å |
| 162 | N | 87 | Confident | 92.5 | Very high | 132 Ų | 132 | 36.4 Ų | 36.4 | 71% | 0.706 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 35 | -178.2 | -77.5 | 1 | 0 | 0 | 0 | 114.1 | ||
| 163 | G | 87.7 | Confident | 92.3 | Very high | 26 Ų | 26 | 34.1 Ų | 34.1 | 27% | 0.268 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y92 S159 D161 T165 | Y92-G163 WeakPolarHBondContact OH-CA 3.31Å; S159-G163 VanDerWaalsContact OG-CA 3.26Å; S159-G163 WeakPolarHBondContact OG-CA 3.05Å; S159-G163 PolarHBondContact OG-N 2.73Å; D161-G163 VanDerWaalsContact C-N 3.25Å; D161-G163 PolarHBondContact O-N 2.62Å; G163-T165 VanDerWaalsContact C-N 3.32Å |
| 164 | Q | 88.3 | Confident | 91.2 | Very high | 172 Ų | 172 | 38.2 Ų | 38.2 | 80% | 0.804 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -66 | -39.4 | 173.7 | -63.3 | 178.5 | 30.7 | 0 | 0 | 110.9 | D161 | D161-Q164 HydrophobicContact CB-CB 4.41Å; D161-Q164 WeakPolarHBondContact O-CG 3.42Å; D161-Q164 PolarHBondContact O-N 2.82Å; D161-Q164 PolarHBondContact OD1-N 3.03Å; D161-Q164 VanDerWaalsContact OD1-N 3.1Å; D161-Q164 WeakPolarHBondContact OD2-CB 3.39Å |
| 165 | T | 90.4 | Very high | 89.5 | Confident | 32 Ų | 32 | 41.3 Ų | 41.3 | 20% | 0.196 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -121.9 | 122.9 | 175.5 | -50.4 | 0 | 0 | 0 | 0 | 109.4 | V140 S159 D161 G163 L167 | V140-T165 HydrophobicContact CB-CG2 4.46Å; V140-T165 HydrophobicContact CG1-CG2 3.78Å; V140-T165 HydrophobicContact CG2-CG2 3.86Å; S159-T165 WeakPolarHBondContact CA-O 2.98Å; S159-T165 WeakPolarHBondContact CB-O 3.41Å; S159-T165 PolarHBondContact OG-O 2.98Å; D161-T165 VanDerWaalsContact CG-N 3.26Å; D161-T165 PolarHBondContact OD1-N 2.97Å; D161-T165 WeakPolarHBondContact OD2-CB 3.46Å; D161-T165 PolarHBondContact OD2-N 2.78Å; D161-T165 PolarHBondContact OD2-OG1 3.17Å; G163-T165 VanDerWaalsContact C-N 3.32Å; T165-L167 HydrophobicContact CG2-CD1 4.24Å; T165-L167 HydrophobicContact CG2-CG 4.26Å |
| 166 | I | 93.4 | Very high | 87.5 | Confident | 23 Ų | 23 | 45.7 Ų | 45.7 | 12% | 0.118 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 127.7 | 173.7 | -51.6 | 174.6 | 0 | 0 | 0 | 108.3 | Y92 V140 I141 N143 T144 V157 | Y92-I166 HydrophobicContact CD2-CG2 4.07Å; Y92-I166 HydrophobicContact CE2-CD1 4.49Å; Y92-I166 HydrophobicContact CE2-CG1 4.11Å; Y92-I166 HydrophobicContact CE2-CG2 4.28Å; V140-I166 CarbonylContact C-O 3.4Å; V140-I166 WeakPolarHBondContact CA-O 3.07Å; I141-I166 HydrophobicContact CD1-CG2 4.02Å; I141-I166 HydrophobicContact CG1-CB 4.09Å; I141-I166 HydrophobicContact CG1-CG2 3.71Å; I141-I166 PolarHBondContact N-O 2.92Å; N143-I166 WeakPolarHBondContact O-CG2 3.3Å; T144-I166 HydrophobicContact CG2-CD1 3.97Å; V157-I166 HydrophobicContact CG1-CG2 3.5Å; V157-I166 VanDerWaalsContact CG1-CG2 3.5Å |
| 167 | L | 94.3 | Very high | 85.4 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 139.3 | -179.1 | -59.8 | 112.5 | 0 | 0 | 0 | 109.7 | W112 L121 V140 V157 F158 T165 | W112-L167 HydrophobicContact CH2-CD1 3.67Å; W112-L167 HydrophobicContact CH2-CD2 3.87Å; W112-L167 HydrophobicContact CH2-CG 4.45Å; W112-L167 HydrophobicContact CZ2-CD1 4.4Å; W112-L167 HydrophobicContact CZ3-CD1 4.33Å; W112-L167 HydrophobicContact CZ3-CD2 4.37Å; L121-L167 HydrophobicContact CB-CD2 4.31Å; L121-L167 HydrophobicContact CD1-CD2 3.98Å; L121-L167 HydrophobicContact CD2-CD2 3.73Å; L121-L167 HydrophobicContact CG-CD2 4.23Å; V140-L167 HydrophobicContact CG2-CD2 4.28Å; V157-L167 CarbonylContact C-O 3.5Å; V157-L167 VanDerWaalsContact CA-O 3.28Å; V157-L167 WeakPolarHBondContact CA-O 3.37Å; F158-L167 HydrophobicContact CD1-CB 4.27Å; F158-L167 HydrophobicContact CD2-CD1 4.37Å; F158-L167 HydrophobicContact CE1-CB 3.83Å; F158-L167 HydrophobicContact CE2-CB 4.25Å; F158-L167 HydrophobicContact CE2-CD1 3.92Å; F158-L167 HydrophobicContact CZ-CB 3.83Å; F158-L167 HydrophobicContact CZ-CD1 4.25Å; F158-L167 HydrophobicContact CZ-CG 4.46Å; F158-L167 PolarHBondContact N-O 3.5Å; F158-L167 PolarHBondContact O-N 3.32Å; T165-L167 HydrophobicContact CG2-CD1 4.24Å; T165-L167 HydrophobicContact CG2-CG 4.26Å |
| 168 | C | 95.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 118.6 | 169.3 | -169.9 | 0 | 0 | 0 | 0 | 108.2 | G138 R139 I141 V157 W170 | G138-C168 VanDerWaalsContact CA-O 3.28Å; G138-C168 WeakPolarHBondContact CA-O 3.32Å; R139-C168 PolarHBondContact N-O 3.37Å; R139-C168 PolarHBondContact O-N 3.11Å; I141-C168 HydrophobicContact CD1-CB 3.97Å; I141-C168 HydrophobicContact CG1-CB 4.26Å; I141-C168 HydrophobicContact CG2-CB 3.73Å; V157-C168 HydrophobicContact CG2-CB 4.44Å; C168-W170 HydrophobicContact CB-CE3 4.5Å; C168-W170 WeakPolarHBondContact O-CZ3 3.34Å |
| 169 | L | 95.8 | Very high | 80.9 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131.7 | 170.2 | 179.7 | 78.8 | 0 | 0 | 0 | 108 | I104 I124 T125 W136 R137 Y155 L156 F158 | I104-L169 HydrophobicContact CD1-CD2 4.21Å; I104-L169 HydrophobicContact CG2-CD2 3.53Å; I124-L169 HydrophobicContact CG2-CD1 4.35Å; I124-L169 HydrophobicContact CG2-CD2 4.32Å; T125-L169 HydrophobicContact CG2-CD1 3.76Å; W136-L169 HydrophobicContact CE3-CD1 4.14Å; W136-L169 HydrophobicContact CE3-CD2 3.97Å; W136-L169 HydrophobicContact CE3-CG 3.72Å; W136-L169 HydrophobicContact CZ3-CD2 3.97Å; W136-L169 HydrophobicContact CZ3-CG 3.98Å; R137-L169 CarbonylContact O-C 3.57Å; R137-L169 VanDerWaalsContact O-CA 3.31Å; R137-L169 WeakPolarHBondContact O-CA 3.47Å; R137-L169 WeakPolarHBondContact O-CD1 3.41Å; Y155-L169 CarbonylContact C-O 3.55Å; Y155-L169 VanDerWaalsContact CA-O 3.26Å; Y155-L169 WeakPolarHBondContact CA-O 3.45Å; L156-L169 PolarHBondContact N-O 2.81Å; L156-L169 PolarHBondContact O-N 3.19Å; F158-L169 HydrophobicContact CE1-CB 4.06Å |
| 170 | W | 96.3 | Very high | 78.8 | Confident | 15 Ų | 15 | 69.1 Ų | 69.1 | 6% | 0.057 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 159.5 | 179.8 | 73.9 | 102 | 0 | 0 | 0 | 112.7 | W136 R137 R139 I147 A150 K154 C168 D177 | W136-W170 CarbonylContact C-O 3.57Å; W136-W170 WeakPolarHBondContact CA-O 3.29Å; R137-W170 HydrophobicContact CB-CD2 3.87Å; R137-W170 VanDerWaalsContact CB-CE2 3.49Å; R137-W170 HydrophobicContact CB-CE3 4.11Å; R137-W170 HydrophobicContact CB-CH2 3.67Å; R137-W170 HydrophobicContact CB-CZ2 3.4Å; R137-W170 HydrophobicContact CB-CZ3 4.02Å; R137-W170 HydrophobicContact CG-CZ2 4.15Å; R137-W170 PolarHBondContact N-O 3.3Å; R137-W170 VanDerWaalsContact O-CE3 3.29Å; R137-W170 PolarHBondContact O-N 3.16Å; R139-W170 HydrophobicContact CB-CH2 4.37Å; R139-W170 HydrophobicContact CB-CZ3 4.3Å; R139-W170 HydrophobicContact CG-CH2 3.97Å; R139-W170 HydrophobicContact CG-CZ3 3.86Å; I147-W170 HydrophobicContact CD1-CD2 3.96Å; I147-W170 HydrophobicContact CD1-CE3 3.89Å; I147-W170 HydrophobicContact CD1-CH2 3.61Å; I147-W170 HydrophobicContact CD1-CZ2 3.65Å; I147-W170 HydrophobicContact CD1-CZ3 3.72Å; A150-W170 HydrophobicContact CB-CB 3.41Å; A150-W170 VanDerWaalsContact CB-CB 3.41Å; A150-W170 HydrophobicContact CB-CD2 4.1Å; A150-W170 HydrophobicContact CB-CG 3.58Å; K154-W170 CarbonylContact O-C 3.25Å; K154-W170 WeakPolarHBondContact O-CA 3.41Å; K154-W170 WeakPolarHBondContact O-CB 3.31Å; C168-W170 HydrophobicContact CB-CE3 4.5Å; C168-W170 WeakPolarHBondContact O-CZ3 3.34Å; W170-D177 PolarHBondContact NE1-OD2 3.43Å |
| 171 | L | 94.9 | Very high | 76.6 | Confident | 45 Ų | 45 | 72.1 Ų | 72.1 | 24% | 0.236 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 115.1 | 168.8 | -177.1 | 64.8 | 0 | 0 | 0 | 108.9 | P134 R135 K154 | P134-L171 VanDerWaalsContact O-CD1 3.32Å; P134-L171 WeakPolarHBondContact O-CD1 3.28Å; R135-L171 HydrophobicContact CB-CD1 4.17Å; K154-L171 HydrophobicContact CB-CB 4.12Å; K154-L171 HydrophobicContact CD-CD2 4.4Å; K154-L171 PolarHBondContact O-N 3.07Å |
| 172 | A | 91.9 | Very high | 74.4 | Confident | 8 Ų | 8 | 76.2 Ų | 76.2 | 7% | 0.066 | 43% | 0.433 | C | S | . | . | trans | -70.9 | 138 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R135 R137 D177 | R135-A172 HydrophobicContact CB-CB 4.24Å; R135-A172 WeakPolarHBondContact O-CB 3.49Å; R135-A172 PolarHBondContact O-N 3.45Å; R137-A172 HydrophobicContact CG-CB 3.95Å; A172-D177 HydrophobicContact CB-CB 3.95Å; A172-D177 WeakPolarHBondContact CB-OD2 3.3Å | ||
| 173 | N | 82.4 | Confident | 72.1 | Confident | 78 Ų | 78 | 75.3 Ų | 75.3 | 42% | 0.417 | 44% | 0.436 | S | S | . | . | trans | -85.9 | 146.9 | 173.4 | -71.9 | -31.2 | 0 | 0 | 0 | 110.6 | K152 D175 | K152-N173 PolarHBondContact O-ND2 3.24Å; N173-D175 PolarHBondContact O-N 3.35Å | ||
| 174 | D | 65.9 | Low | 69.8 | Low | 102 Ų | 102 | 79.6 Ų | 79.6 | 55% | 0.545 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -27.3 | -167.2 | -91.4 | -58.4 | 0 | 0 | 0 | 116.9 | R135 | R135-D174 IonicContact CZ-OD1 2.87Å; R135-D174 IonicContact CZ-OD2 3.58Å; R135-D174 IonicContact NE-OD1 3.84Å; R135-D174 IonicContact NH1-OD1 2.82Å; R135-D174 PolarHBondContact NH1-OD1 2.89Å; R135-D174 IonicContact NH1-OD2 2.73Å; R135-D174 PolarHBondContact NH1-OD2 3.39Å; R135-D174 IonicContact NH2-OD1 2.62Å; R135-D174 PolarHBondContact NH2-OD1 3.45Å; R135-D174 IonicContact NH2-OD2 3.66Å |
| 175 | D | 59.7 | Low | 67.8 | Low | 157 Ų | 157 | 80.7 Ų | 80.7 | 84% | 0.84 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -16.3 | -160.8 | -66 | -43.3 | 0 | 0 | 0 | 116 | N173 | N173-D175 PolarHBondContact O-N 3.35Š|
| 176 | E | 56 | Low | 66.7 | Low | 128 Ų | 128 | 83.1 Ų | 83.1 | 60% | 0.598 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.2 | -20.9 | -170.8 | -71.7 | -174.9 | 177.6 | 0 | 0 | 115.4 | K152 R178 | K152-E176 VanDerWaalsContact NZ-CD 3.29Å; K152-E176 IonicContact NZ-OE1 3.17Å; K152-E176 PolarHBondContact NZ-OE1 2.68Å; K152-E176 VanDerWaalsContact NZ-OE1 3.17Å; K152-E176 IonicContact NZ-OE2 2.68Å; K152-E176 PolarHBondContact NZ-OE2 3.17Å; E176-R178 PolarHBondContact O-N 3.32Å |
| 177 | D | 53.7 | Low | 65.3 | Low | 49 Ų | 49 | 86.3 Ų | 86.3 | 26% | 0.262 | 52% | 0.519 | S | S | . | . | trans | -94 | 16.4 | -170.9 | -78.7 | -23.2 | 0 | 0 | 0 | 114.6 | W170 A172 P179 | W170-D177 PolarHBondContact NE1-OD2 3.43Å; A172-D177 HydrophobicContact CB-CB 3.95Å; A172-D177 WeakPolarHBondContact CB-OD2 3.3Å; D177-P179 VanDerWaalsContact O-CD 3.3Å; D177-P179 WeakPolarHBondContact O-CD 3.31Å | ||
| 178 | R | 48.1 | Very low | 63.6 | Low | 223 Ų | 223 | 91 Ų | 91 | 84% | 0.842 | 55% | 0.548 | S | S | * | . | trans | -67.9 | 119.8 | 171.2 | -86.2 | -176.5 | -178.8 | 167.1 | 2.7 | 109.1 | E176 A180 | E176-R178 PolarHBondContact O-N 3.32Å; R178-A180 PolarHBondContact O-N 3.14Å | ||
| 179 | P | 49.7 | Very low | 61.8 | Low | 115 Ų | 115 | 96.4 Ų | 96.4 | 75% | 0.747 | 58% | 0.58 | S | S | * | * | trans | -58.4 | 129.5 | 157.3 | 2.3 | 10.4 | 0 | 0 | 0 | 106.2 | D177 G181 | D177-P179 VanDerWaalsContact O-CD 3.3Å; D177-P179 WeakPolarHBondContact O-CD 3.31Å; P179-G181 PolarHBondContact O-N 3.23Å; P179-G181 VanDerWaalsContact O-N 3.14Å | ||
| 180 | A | 49 | Very low | 59.6 | Low | 105 Ų | 105 | 102.4 Ų | 102.4 | 87% | 0.868 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -45.8 | 126 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | R178 | R178-A180 PolarHBondContact O-N 3.14Š|
| 181 | G | 42.5 | Very low | 57.2 | Low | 67 Ų | 67 | 108.2 Ų | 108.2 | 69% | 0.691 | 65% | 0.653 | S | S | * | * | trans | -16.8 | 122.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | P179 C183 | P179-G181 PolarHBondContact O-N 3.23Å; P179-G181 VanDerWaalsContact O-N 3.14Å; G181-C183 VanDerWaalsContact C-N 3.29Å; G181-C183 PolarHBondContact O-N 3.34Å | ||
| 182 | C | 39.6 | Very low | 54.5 | Low | 123 Ų | 123 | 112.7 Ų | 112.7 | 83% | 0.831 | 68% | 0.683 | S | S | * | * | trans | -81.4 | 88.4 | 139.1 | -159.4 | 0 | 0 | 0 | 0 | 106.9 | C184 | C182-C184 PolarHBondContact O-N 3.21Š| ||
| 183 | C | 39.2 | Very low | 51.6 | Low | 113 Ų | 113 | 120.8 Ų | 120.8 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | trans | -69.8 | 100.4 | 161.4 | -75.1 | 0 | 0 | 0 | 0 | 107.7 | G181 | G181-C183 VanDerWaalsContact C-N 3.29Å; G181-C183 PolarHBondContact O-N 3.34Å | ||
| 184 | C | 40 | Very low | 49.1 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | -100.3 | 99.2 | 149.3 | -77.5 | 0 | 0 | 0 | 0 | 106.5 | C182 | C182-C184 PolarHBondContact O-N 3.21Š| ||
| 185 | C | 45.3 | Very low | 47.5 | Very low | 194 Ų | 194 | 126.4 Ų | 126.4 | 100% | 1.311 | 78% | 0.776 | S | S | * | * | trans | -64.1 | 0 | 155.9 | -57.5 | 0 | 0 | 0 | 0 | 110 |
Retrieved 185 of 185 residues in 79.8 ms
(Link to these results)