| 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 | 38.3 | Very low | 58.2 | Low | 244 Ų | 244 | 126.8 Ų | 126.8 | 100% | 1.202 | 67% | 0.673 | S | S | * | * | 0 | 57.5 | 0 | -103.9 | 178.8 | 90.9 | 0 | 0 | 109.8 | |||||
| 2 | T | 38.1 | Very low | 59.9 | Low | 137 Ų | 137 | 117.4 Ų | 117.4 | 84% | 0.84 | 62% | 0.624 | S | S | * | * | trans | -128.7 | 128 | -176 | 37.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 3 | A | 42.4 | Very low | 61.2 | Low | 82 Ų | 82 | 113.1 Ų | 113.1 | 68% | 0.678 | 60% | 0.598 | S | S | * | * | trans | 86 | 60.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 4 | E | 48.2 | Very low | 62.5 | Low | 178 Ų | 178 | 109.4 Ų | 109.4 | 83% | 0.832 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -100.6 | -3.1 | 142.5 | -84.5 | -170.5 | 163.1 | 0 | 0 | 112.6 | F6 S7 | E4-F6 PolarHBondContact O-N 2.85Å; E4-S7 PolarHBondContact O-N 3.11Å; E4-S7 VanDerWaalsContact O-N 3.08Å |
| 5 | V | 50.6 | Low | 63.8 | Low | 121 Ų | 121 | 107.3 Ų | 107.3 | 73% | 0.733 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -21 | 179.9 | -176.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 6 | F | 53.3 | Low | 64.7 | Low | 182 Ų | 182 | 100.7 Ų | 100.7 | 80% | 0.798 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 35.5 | 172.4 | -73.9 | -80.2 | 0 | 0 | 0 | 112 | E4 Y8 | E4-F6 PolarHBondContact O-N 2.85Å; F6-Y8 PolarHBondContact O-N 2.89Å |
| 7 | S | 68.4 | Low | 65.7 | Low | 49 Ų | 49 | 95.7 Ų | 95.7 | 34% | 0.343 | 53% | 0.525 | S | S | . | . | trans | -60.5 | 138.1 | 166.4 | 176.7 | 0 | 0 | 0 | 0 | 109.5 | E4 E9 S10 L11 | E4-S7 PolarHBondContact O-N 3.11Å; E4-S7 VanDerWaalsContact O-N 3.08Å; S7-E9 PolarHBondContact O-N 3.28Å; S7-S10 WeakPolarHBondContact O-CA 3.48Å; S7-S10 WeakPolarHBondContact O-CB 3.34Å; S7-S10 PolarHBondContact O-N 3.29Å; S7-L11 PolarHBondContact O-N 3.48Å; S7-L11 VanDerWaalsContact O-N 3.13Å | ||
| 8 | Y | 73.6 | Confident | 66.6 | Low | 133 Ų | 133 | 93.4 Ų | 93.4 | 52% | 0.522 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -54.1 | -35.8 | 178.9 | 177 | -94.5 | 0 | 0 | 0 | 112.2 | F6 S10 L11 V12 M302 | F6-Y8 PolarHBondContact O-N 2.89Å; Y8-S10 PolarHBondContact O-N 3Å; Y8-L11 WeakPolarHBondContact O-CB 3.46Å; Y8-L11 PolarHBondContact O-N 3.36Å; Y8-V12 HydrophobicContact CD1-CG2 4.16Å; Y8-V12 HydrophobicContact CE1-CG2 3.6Å; Y8-V12 HydrophobicContact CE2-CG2 4.39Å; Y8-V12 WeakPolarHBondContact O-CG2 3.29Å; Y8-V12 PolarHBondContact O-N 2.98Å; Y8-M302 HydrophobicContact CD1-SD 4.44Å; Y8-M302 HydrophobicContact CE1-CE 3.55Å; Y8-M302 HydrophobicContact CE1-SD 3.27Å; Y8-M302 WeakPolarHBondContact CE1-SD 3.21Å; Y8-M302 VanDerWaalsContact OH-CE 3.25Å; Y8-M302 WeakPolarHBondContact OH-CE 3.41Å; Y8-M302 PolarHBondContact OH-SD 3.44Å |
| 9 | E | 73.6 | Confident | 67.6 | Low | 109 Ų | 109 | 92.2 Ų | 92.2 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 174.3 | -63.4 | -169.9 | 156.5 | 0 | 0 | 112.1 | S7 L11 V12 H13 | S7-E9 PolarHBondContact O-N 3.28Å; E9-L11 VanDerWaalsContact C-N 3.29Å; E9-L11 PolarHBondContact O-N 3.02Å; E9-V12 PolarHBondContact O-N 3.34Å; E9-H13 PolarHBondContact O-CD2 2.86Å; E9-H13 PolarHBondContact O-N 3.43Å |
| 10 | S | 76.4 | Confident | 68.4 | Low | 61 Ų | 61 | 87.7 Ų | 87.7 | 43% | 0.427 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.2 | -35.9 | 177.5 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | S7 Y8 A14 | S7-S10 WeakPolarHBondContact O-CA 3.48Å; S7-S10 WeakPolarHBondContact O-CB 3.34Å; S7-S10 PolarHBondContact O-N 3.29Å; Y8-S10 PolarHBondContact O-N 3Å; S10-A14 WeakPolarHBondContact O-CB 3.38Å; S10-A14 PolarHBondContact O-N 3.5Å |
| 11 | L | 77.3 | Confident | 69.1 | Low | 99 Ų | 99 | 85.8 Ų | 85.8 | 52% | 0.518 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.4 | -45.7 | 174.4 | -172.1 | 73.9 | 0 | 0 | 0 | 111.5 | S7 Y8 E9 H13 A14 V15 | S7-L11 PolarHBondContact O-N 3.48Å; S7-L11 VanDerWaalsContact O-N 3.13Å; Y8-L11 WeakPolarHBondContact O-CB 3.46Å; Y8-L11 PolarHBondContact O-N 3.36Å; E9-L11 VanDerWaalsContact C-N 3.29Å; E9-L11 PolarHBondContact O-N 3.02Å; L11-H13 PolarHBondContact O-N 2.92Å; L11-A14 PolarHBondContact O-N 3.41Å; L11-V15 HydrophobicContact CD1-CG2 4.42Å; L11-V15 HydrophobicContact CG-CG2 4.36Å; L11-V15 WeakPolarHBondContact O-CB 3.29Å; L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.32Å; L11-V15 PolarHBondContact O-N 3.38Å |
| 12 | V | 78.2 | Confident | 71.3 | Confident | 14 Ų | 14 | 77 Ų | 77 | 9% | 0.085 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 177.5 | 168.7 | 0 | 0 | 0 | 0 | 111 | Y8 E9 S16 T298 | Y8-V12 HydrophobicContact CD1-CG2 4.16Å; Y8-V12 HydrophobicContact CE1-CG2 3.6Å; Y8-V12 HydrophobicContact CE2-CG2 4.39Å; Y8-V12 WeakPolarHBondContact O-CG2 3.29Å; Y8-V12 PolarHBondContact O-N 2.98Å; E9-V12 PolarHBondContact O-N 3.34Å; V12-S16 VanDerWaalsContact O-CB 3.23Å; V12-S16 WeakPolarHBondContact O-CB 3.37Å; V12-S16 PolarHBondContact O-N 2.96Å; V12-S16 PolarHBondContact O-OG 3.15Å; V12-T298 HydrophobicContact CB-CG2 4.36Å; V12-T298 HydrophobicContact CG1-CG2 3.55Å; V12-T298 HydrophobicContact CG2-CG2 3.81Å |
| 13 | H | 76.9 | Confident | 73.7 | Confident | 61 Ų | 61 | 73.2 Ų | 73.2 | 28% | 0.282 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 175.7 | -69.1 | -56.2 | 0 | 0 | 0 | 112.7 | E9 L11 S16 G17 Y291 | E9-H13 PolarHBondContact O-CD2 2.86Å; E9-H13 PolarHBondContact O-N 3.43Å; L11-H13 PolarHBondContact O-N 2.92Å; H13-S16 WeakPolarHBondContact CA-OG 3.14Å; H13-S16 PolarHBondContact O-OG 3.37Å; H13-G17 PolarHBondContact O-N 3.45Å; H13-Y291 PolarHBondContact CE1-OH 2.92Å; H13-Y291 VanDerWaalsContact CE1-OH 3.27Å; H13-Y291 AromaticContact ND1-CE2 3.8Å; H13-Y291 AromaticContact ND1-CZ 3.65Å; H13-Y291 PolarHBondContact ND1-OH 3.39Å |
| 14 | A | 80.1 | Confident | 75.8 | Confident | 61 Ų | 61 | 69.3 Ų | 69.3 | 50% | 0.504 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66 | -45.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S10 L11 A18 | S10-A14 WeakPolarHBondContact O-CB 3.38Å; S10-A14 PolarHBondContact O-N 3.5Å; L11-A14 PolarHBondContact O-N 3.41Å; A14-A18 VanDerWaalsContact O-CB 3.29Å; A14-A18 WeakPolarHBondContact O-CB 3.29Å; A14-A18 PolarHBondContact O-N 3.23Å |
| 15 | V | 81.8 | Confident | 77.6 | Confident | 79 Ų | 79 | 62.7 Ų | 62.7 | 48% | 0.479 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.4 | -46.2 | -179.9 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | L11 G17 A18 V19 | L11-V15 HydrophobicContact CD1-CG2 4.42Å; L11-V15 HydrophobicContact CG-CG2 4.36Å; L11-V15 WeakPolarHBondContact O-CB 3.29Å; L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.32Å; L11-V15 PolarHBondContact O-N 3.38Å; V15-G17 VanDerWaalsContact C-N 3.33Å; V15-G17 PolarHBondContact O-N 3.02Å; V15-A18 PolarHBondContact O-N 2.96Å; V15-V19 HydrophobicContact CG1-CG2 4.19Å; V15-V19 WeakPolarHBondContact O-CB 3.21Å; V15-V19 VanDerWaalsContact O-CG2 3.32Å; V15-V19 WeakPolarHBondContact O-CG2 3.47Å; V15-V19 PolarHBondContact O-N 3.41Å |
| 16 | S | 78.4 | Confident | 79.4 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.007 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 176.3 | 56.4 | 0 | 0 | 0 | 0 | 112.1 | V12 H13 G20 I294 | V12-S16 VanDerWaalsContact O-CB 3.23Å; V12-S16 WeakPolarHBondContact O-CB 3.37Å; V12-S16 PolarHBondContact O-N 2.96Å; V12-S16 PolarHBondContact O-OG 3.15Å; H13-S16 WeakPolarHBondContact CA-OG 3.14Å; H13-S16 PolarHBondContact O-OG 3.37Å; S16-G20 PolarHBondContact O-N 3.42Å; S16-I294 VanDerWaalsContact CB-CG2 3.47Å |
| 17 | G | 81.4 | Confident | 81.2 | Confident | 16 Ų | 16 | 53.5 Ų | 53.5 | 17% | 0.165 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H13 V15 S21 | H13-G17 PolarHBondContact O-N 3.45Å; V15-G17 VanDerWaalsContact C-N 3.33Å; V15-G17 PolarHBondContact O-N 3.02Å; G17-S21 WeakPolarHBondContact O-CB 3.39Å; G17-S21 PolarHBondContact O-N 2.68Å |
| 18 | A | 82.7 | Confident | 82.2 | Confident | 55 Ų | 55 | 52.7 Ų | 52.7 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.3 | -48.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A14 V15 S21 V22 | A14-A18 VanDerWaalsContact O-CB 3.29Å; A14-A18 WeakPolarHBondContact O-CB 3.29Å; A14-A18 PolarHBondContact O-N 3.23Å; V15-A18 PolarHBondContact O-N 2.96Å; A18-S21 PolarHBondContact O-N 3.32Å; A18-V22 WeakPolarHBondContact O-CG2 3.49Å; A18-V22 PolarHBondContact O-N 3.38Å |
| 19 | V | 84.2 | Confident | 82.9 | Confident | 70 Ų | 70 | 46.4 Ų | 46.4 | 42% | 0.424 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 178.3 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | V15 S21 V22 T23 I294 | V15-V19 HydrophobicContact CG1-CG2 4.19Å; V15-V19 WeakPolarHBondContact O-CB 3.21Å; V15-V19 VanDerWaalsContact O-CG2 3.32Å; V15-V19 WeakPolarHBondContact O-CG2 3.47Å; V15-V19 PolarHBondContact O-N 3.41Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 3.12Å; V19-V22 PolarHBondContact O-N 2.86Å; V19-T23 VanDerWaalsContact O-CB 3.28Å; V19-T23 WeakPolarHBondContact O-CB 3.12Å; V19-T23 PolarHBondContact O-N 3.11Å; V19-T23 PolarHBondContact O-OG1 3.38Å; V19-I294 HydrophobicContact CB-CD1 4.49Å; V19-I294 HydrophobicContact CG1-CD1 4.2Å |
| 20 | G | 84.3 | Confident | 83.7 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | S16 A24 | S16-G20 PolarHBondContact O-N 3.42Å; G20-A24 VanDerWaalsContact O-CB 3.27Å; G20-A24 WeakPolarHBondContact O-CB 3.49Å; G20-A24 PolarHBondContact O-N 3.33Å |
| 21 | S | 82.9 | Confident | 84.3 | Confident | 48 Ų | 48 | 40.3 Ų | 40.3 | 34% | 0.336 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.8 | -46.4 | 178.3 | -173.3 | 0 | 0 | 0 | 0 | 112.6 | G17 A18 V19 T23 A24 M25 | G17-S21 WeakPolarHBondContact O-CB 3.39Å; G17-S21 PolarHBondContact O-N 2.68Å; A18-S21 PolarHBondContact O-N 3.32Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 3.12Å; S21-T23 PolarHBondContact O-N 2.89Å; S21-A24 PolarHBondContact O-N 3.15Å; S21-M25 WeakPolarHBondContact O-CB 3.36Å; S21-M25 PolarHBondContact O-N 3.18Å |
| 22 | V | 85.6 | Confident | 84.8 | Confident | 61 Ų | 61 | 36.1 Ų | 36.1 | 37% | 0.37 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64 | -42.3 | 178.1 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | A18 V19 T26 I73 | A18-V22 WeakPolarHBondContact O-CG2 3.49Å; A18-V22 PolarHBondContact O-N 3.38Å; V19-V22 PolarHBondContact O-N 2.86Å; V22-T26 WeakPolarHBondContact O-CB 3.37Å; V22-T26 PolarHBondContact O-N 3.35Å; V22-T26 PolarHBondContact O-OG1 3.27Å; V22-I73 HydrophobicContact CG1-CD1 4.1Å |
| 23 | T | 87.9 | Confident | 85.2 | Confident | 57 Ų | 57 | 35.7 Ų | 35.7 | 35% | 0.35 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.5 | -49.7 | 177.6 | -55.5 | 0 | 0 | 0 | 0 | 110.5 | V19 S21 M25 T26 V27 L290 | V19-T23 VanDerWaalsContact O-CB 3.28Å; V19-T23 WeakPolarHBondContact O-CB 3.12Å; V19-T23 PolarHBondContact O-N 3.11Å; V19-T23 PolarHBondContact O-OG1 3.38Å; S21-T23 PolarHBondContact O-N 2.89Å; T23-M25 PolarHBondContact O-N 2.83Å; T23-T26 WeakPolarHBondContact O-CB 3.3Å; T23-T26 PolarHBondContact O-N 3.32Å; T23-T26 VanDerWaalsContact O-N 3.14Å; T23-V27 WeakPolarHBondContact O-CG2 3.5Å; T23-V27 PolarHBondContact O-N 2.84Å; T23-L290 HydrophobicContact CG2-CD1 3.72Å |
| 24 | A | 87 | Confident | 85.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.2 | -41.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G20 S21 T26 V27 F28 T283 L286 | G20-A24 VanDerWaalsContact O-CB 3.27Å; G20-A24 WeakPolarHBondContact O-CB 3.49Å; G20-A24 PolarHBondContact O-N 3.33Å; S21-A24 PolarHBondContact O-N 3.15Å; A24-T26 VanDerWaalsContact C-N 3.27Å; A24-T26 PolarHBondContact O-N 3.46Å; A24-V27 PolarHBondContact O-N 3.49Å; A24-F28 VanDerWaalsContact O-CD2 3.23Å; A24-F28 WeakPolarHBondContact O-CD2 3.46Å; A24-F28 PolarHBondContact O-N 2.91Å; A24-T283 HydrophobicContact CB-CG2 3.84Å; A24-L286 HydrophobicContact CB-CB 4.19Å; A24-L286 HydrophobicContact CB-CD2 4.02Å; A24-L286 HydrophobicContact CB-CG 4.16Å |
| 25 | M | 85 | Confident | 86.2 | Confident | 39 Ų | 39 | 30.9 Ų | 30.9 | 19% | 0.192 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.2 | -37 | 174 | -175.5 | 63.3 | 162.7 | 0 | 0 | 111.9 | S21 T23 F29 V72 | S21-M25 WeakPolarHBondContact O-CB 3.36Å; S21-M25 PolarHBondContact O-N 3.18Å; T23-M25 PolarHBondContact O-N 2.83Å; M25-F29 VanDerWaalsContact O-CA 3.31Å; M25-F29 WeakPolarHBondContact O-CA 3.29Å; M25-F29 VanDerWaalsContact O-CB 3.27Å; M25-F29 WeakPolarHBondContact O-CB 3.42Å; M25-F29 PolarHBondContact O-N 3.28Å; M25-V72 HydrophobicContact CE-CG1 4.31Å |
| 26 | T | 88.3 | Confident | 86.5 | Confident | 37 Ų | 37 | 27.7 Ų | 27.7 | 23% | 0.227 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.7 | -46.9 | 177.9 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | V22 T23 A24 F28 F29 Y66 W69 | V22-T26 WeakPolarHBondContact O-CB 3.37Å; V22-T26 PolarHBondContact O-N 3.35Å; V22-T26 PolarHBondContact O-OG1 3.27Å; T23-T26 WeakPolarHBondContact O-CB 3.3Å; T23-T26 PolarHBondContact O-N 3.32Å; T23-T26 VanDerWaalsContact O-N 3.14Å; A24-T26 VanDerWaalsContact C-N 3.27Å; A24-T26 PolarHBondContact O-N 3.46Å; T26-F28 VanDerWaalsContact C-N 3.32Å; T26-F28 PolarHBondContact O-N 2.88Å; T26-F29 WeakPolarHBondContact O-CB 3.37Å; T26-F29 PolarHBondContact O-N 2.97Å; T26-Y66 HydrophobicContact CG2-CE1 4.48Å; T26-Y66 VanDerWaalsContact O-CE1 3.28Å; T26-Y66 WeakPolarHBondContact O-CE1 3.48Å; T26-W69 HydrophobicContact CG2-CZ2 4.09Å; T26-W69 PolarHBondContact OG1-NE1 3.44Å |
| 27 | V | 90.5 | Very high | 86.9 | Confident | 72 Ų | 72 | 27.8 Ų | 27.8 | 44% | 0.436 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.7 | -42.5 | 178.4 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | T23 A24 L286 | T23-V27 WeakPolarHBondContact O-CG2 3.5Å; T23-V27 PolarHBondContact O-N 2.84Å; A24-V27 PolarHBondContact O-N 3.49Å; V27-L286 HydrophobicContact CB-CD2 4.06Å; V27-L286 HydrophobicContact CG1-CD2 4.18Å; V27-L286 HydrophobicContact CG2-CD2 4.11Å |
| 28 | F | 90.1 | Very high | 87.1 | Confident | 33 Ų | 33 | 27.1 Ų | 27.1 | 15% | 0.145 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 12.7 | -177.7 | -58 | -59.9 | 0 | 0 | 0 | 114 | A24 T26 P30 L31 D32 Q279 L282 L286 | A24-F28 VanDerWaalsContact O-CD2 3.23Å; A24-F28 WeakPolarHBondContact O-CD2 3.46Å; A24-F28 PolarHBondContact O-N 2.91Å; T26-F28 VanDerWaalsContact C-N 3.32Å; T26-F28 PolarHBondContact O-N 2.88Å; F28-P30 VanDerWaalsContact C-CD 3.43Å; F28-P30 VanDerWaalsContact C-N 3.33Å; F28-L31 HydrophobicContact CB-CD1 4.24Å; F28-L31 HydrophobicContact CD1-CD1 3.89Å; F28-L31 HydrophobicContact CG-CD1 4.42Å; F28-L31 WeakPolarHBondContact O-CB 3.29Å; F28-L31 PolarHBondContact O-N 3.33Å; F28-L31 VanDerWaalsContact O-N 3.1Å; F28-D32 PolarHBondContact O-N 3.08Å; F28-Q279 HydrophobicContact CB-CG 4.39Å; F28-L282 HydrophobicContact CD1-CB 3.99Å; F28-L282 HydrophobicContact CD1-CD1 4.07Å; F28-L282 HydrophobicContact CD2-CB 4.1Å; F28-L282 HydrophobicContact CE1-CB 3.62Å; F28-L282 HydrophobicContact CE1-CD1 3.74Å; F28-L282 HydrophobicContact CE1-CG 4.19Å; F28-L282 VanDerWaalsContact CE2-C 3.45Å; F28-L282 HydrophobicContact CE2-CB 3.72Å; F28-L282 VanDerWaalsContact CE2-O 3.29Å; F28-L282 WeakPolarHBondContact CE2-O 3.43Å; F28-L282 HydrophobicContact CG-CB 4.24Å; F28-L282 HydrophobicContact CZ-CB 3.5Å; F28-L282 VanDerWaalsContact CZ-CB 3.5Å; F28-L282 HydrophobicContact CZ-CD1 4.4Å; F28-L282 HydrophobicContact CZ-CG 4.37Å; F28-L286 HydrophobicContact CD2-CD2 4.41Å; F28-L286 HydrophobicContact CE2-CB 3.85Å; F28-L286 HydrophobicContact CE2-CD2 3.58Å; F28-L286 HydrophobicContact CE2-CG 4.37Å; F28-L286 HydrophobicContact CZ-CD2 4.13Å |
| 29 | F | 88.6 | Confident | 87.2 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.8 | -40.1 | 175.6 | -162.8 | -94.8 | 0 | 0 | 0 | 112.9 | M25 T26 L31 D32 T33 P65 Y66 W69 V72 | M25-F29 VanDerWaalsContact O-CA 3.31Å; M25-F29 WeakPolarHBondContact O-CA 3.29Å; M25-F29 VanDerWaalsContact O-CB 3.27Å; M25-F29 WeakPolarHBondContact O-CB 3.42Å; M25-F29 PolarHBondContact O-N 3.28Å; T26-F29 WeakPolarHBondContact O-CB 3.37Å; T26-F29 PolarHBondContact O-N 2.97Å; F29-L31 PolarHBondContact O-N 3.44Å; F29-D32 WeakPolarHBondContact O-CA 3.39Å; F29-D32 WeakPolarHBondContact O-CB 3.12Å; F29-D32 PolarHBondContact O-N 3.1Å; F29-T33 PolarHBondContact O-N 3.13Å; F29-T33 PolarHBondContact O-OG1 2.65Å; F29-P65 VanDerWaalsContact CD1-O 3.28Å; F29-P65 WeakPolarHBondContact CD1-O 3.49Å; F29-Y66 HydrophobicContact CB-CD1 4.26Å; F29-Y66 HydrophobicContact CB-CE1 4.14Å; F29-Y66 HydrophobicContact CD1-CD1 4.3Å; F29-W69 HydrophobicContact CD1-CB 4.27Å; F29-W69 HydrophobicContact CD2-CB 4.48Å; F29-W69 AromaticContact CD2-CD1 3.77Å; F29-W69 HydrophobicContact CE1-CB 4Å; F29-W69 HydrophobicContact CE2-CB 4.21Å; F29-W69 HydrophobicContact CG-CB 4.49Å; F29-W69 AromaticContact CG-CD1 3.96Å; F29-W69 VanDerWaalsContact CZ-CA 3.48Å; F29-W69 HydrophobicContact CZ-CB 3.97Å; F29-V72 HydrophobicContact CE2-CB 4.28Å; F29-V72 HydrophobicContact CE2-CG1 4.13Å; F29-V72 HydrophobicContact CZ-CG2 4.49Å |
| 30 | P | 89.7 | Confident | 87.2 | Confident | 21 Ų | 21 | 21.5 Ų | 21.5 | 14% | 0.136 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56 | -35.4 | 175.5 | -28.5 | 37.8 | 0 | 0 | 0 | 113.7 | F28 T33 A34 L53 P65 Y66 | F28-P30 VanDerWaalsContact C-CD 3.43Å; F28-P30 VanDerWaalsContact C-N 3.33Å; P30-T33 PolarHBondContact O-N 3.16Å; P30-A34 WeakPolarHBondContact O-CB 3.41Å; P30-A34 PolarHBondContact O-N 2.95Å; P30-L53 HydrophobicContact CB-CD2 3.8Å; P30-L53 WeakPolarHBondContact O-CD2 3.4Å; P30-P65 HydrophobicContact CB-CB 3.88Å; P30-P65 HydrophobicContact CG-CB 4.13Å; P30-Y66 HydrophobicContact CG-CD2 4.43Å; P30-Y66 HydrophobicContact CG-CE1 4.32Å; P30-Y66 HydrophobicContact CG-CE2 3.71Å |
| 31 | L | 89.6 | Confident | 87.1 | Confident | 20 Ų | 20 | 21.6 Ų | 21.6 | 11% | 0.105 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.7 | -35.3 | 177.4 | -61.7 | 176.1 | 0 | 0 | 0 | 111.8 | F28 F29 R35 T49 L53 L278 Q279 L282 | F28-L31 HydrophobicContact CB-CD1 4.24Å; F28-L31 HydrophobicContact CD1-CD1 3.89Å; F28-L31 HydrophobicContact CG-CD1 4.42Å; F28-L31 WeakPolarHBondContact O-CB 3.29Å; F28-L31 PolarHBondContact O-N 3.33Å; F28-L31 VanDerWaalsContact O-N 3.1Å; F29-L31 PolarHBondContact O-N 3.44Å; L31-R35 VanDerWaalsContact O-CB 3.28Å; L31-R35 WeakPolarHBondContact O-CB 3.32Å; L31-R35 PolarHBondContact O-N 3.42Å; L31-T49 HydrophobicContact CD2-CG2 3.52Å; L31-L53 HydrophobicContact CD2-CD1 4.31Å; L31-L278 HydrophobicContact CD1-CB 4.23Å; L31-Q279 HydrophobicContact CB-CB 3.9Å; L31-Q279 HydrophobicContact CB-CG 4.31Å; L31-Q279 HydrophobicContact CD1-CB 4.16Å; L31-L282 HydrophobicContact CD1-CD1 4.06Å |
| 32 | D | 87.6 | Confident | 86.6 | Confident | 11 Ų | 11 | 20.9 Ų | 20.9 | 6% | 0.059 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 173.3 | -159.8 | 65.8 | 0 | 0 | 0 | 111.2 | F28 F29 R35 L36 K131 Q279 | F28-D32 PolarHBondContact O-N 3.08Å; F29-D32 WeakPolarHBondContact O-CA 3.39Å; F29-D32 WeakPolarHBondContact O-CB 3.12Å; F29-D32 PolarHBondContact O-N 3.1Å; D32-R35 PolarHBondContact O-N 3.37Å; D32-L36 WeakPolarHBondContact O-CB 3.42Å; D32-L36 WeakPolarHBondContact O-CG 3.31Å; D32-L36 PolarHBondContact O-N 3.38Å; D32-K131 IonicContact OD2-NZ 3.54Å; D32-K131 PolarHBondContact OD2-NZ 2.94Å; D32-Q279 PolarHBondContact OD1-NE2 3.41Å |
| 33 | T | 87 | Confident | 85.9 | Confident | 6 Ų | 6 | 21.8 Ų | 21.8 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.1 | -47.3 | 176.5 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | F29 P30 R35 L36 R37 P65 | F29-T33 PolarHBondContact O-N 3.13Å; F29-T33 PolarHBondContact O-OG1 2.65Å; P30-T33 PolarHBondContact O-N 3.16Å; T33-R35 PolarHBondContact O-N 3.37Å; T33-L36 PolarHBondContact O-N 3.36Å; T33-R37 HydrophobicContact CG2-CG 4.5Å; T33-R37 WeakPolarHBondContact O-CB 3.29Å; T33-R37 WeakPolarHBondContact O-CG 3.15Å; T33-R37 PolarHBondContact O-N 3.3Å; T33-P65 WeakPolarHBondContact CB-O 3.46Å; T33-P65 PolarHBondContact OG1-O 3.15Å |
| 34 | A | 88 | Confident | 85.2 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.7 | -45.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P30 L38 T49 I52 L53 | P30-A34 WeakPolarHBondContact O-CB 3.41Å; P30-A34 PolarHBondContact O-N 2.95Å; A34-L38 WeakPolarHBondContact O-CB 3.49Å; A34-L38 WeakPolarHBondContact O-CG 3.35Å; A34-L38 PolarHBondContact O-N 3.27Å; A34-T49 HydrophobicContact CB-CG2 4.43Å; A34-I52 HydrophobicContact CB-CG2 4.14Å; A34-L53 HydrophobicContact CB-CD2 4Å; A34-L53 HydrophobicContact CB-CG 4.17Å |
| 35 | R | 89.8 | Confident | 84.2 | Confident | 21 Ų | 21 | 29 Ų | 29 | 8% | 0.079 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.5 | -53.3 | 175.2 | 178.4 | -157.3 | 174.9 | -169 | 3.1 | 111.6 | L31 D32 T33 R37 L38 Q39 A275 K276 | L31-R35 VanDerWaalsContact O-CB 3.28Å; L31-R35 WeakPolarHBondContact O-CB 3.32Å; L31-R35 PolarHBondContact O-N 3.42Å; D32-R35 PolarHBondContact O-N 3.37Å; T33-R35 PolarHBondContact O-N 3.37Å; R35-R37 VanDerWaalsContact C-N 3.32Å; R35-R37 PolarHBondContact O-N 3.25Å; R35-L38 WeakPolarHBondContact O-CB 3.44Å; R35-L38 PolarHBondContact O-N 3.18Å; R35-Q39 HydrophobicContact CG-CG 4.44Å; R35-Q39 VanDerWaalsContact NE-NE2 3.13Å; R35-Q39 WeakPolarHBondContact O-CG 3.29Å; R35-Q39 PolarHBondContact O-N 3.23Å; R35-A275 HydrophobicContact CB-CB 3.92Å; R35-K276 HydrophobicContact CG-CB 4.25Å; R35-K276 VanDerWaalsContact NH1-CD 3.33Å; R35-K276 VanDerWaalsContact NH1-CE 3.25Å |
| 36 | L | 87.6 | Confident | 83.5 | Confident | 11 Ų | 11 | 27.8 Ų | 27.8 | 6% | 0.058 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.4 | -40.9 | -175.8 | -80.9 | 171.2 | 0 | 0 | 0 | 111.6 | D32 T33 Q39 V40 K131 L132 | D32-L36 WeakPolarHBondContact O-CB 3.42Å; D32-L36 WeakPolarHBondContact O-CG 3.31Å; D32-L36 PolarHBondContact O-N 3.38Å; T33-L36 PolarHBondContact O-N 3.36Å; L36-Q39 PolarHBondContact O-N 3.22Å; L36-V40 WeakPolarHBondContact O-CG2 3.46Å; L36-V40 PolarHBondContact O-N 3.11Å; L36-K131 HydrophobicContact CD1-CB 4.46Å; L36-K131 HydrophobicContact CD1-CD 3.43Å; L36-K131 VanDerWaalsContact CD1-CD 3.43Å; L36-L132 HydrophobicContact CB-CD2 4.29Å |
| 37 | R | 86.4 | Confident | 82.6 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 175.2 | -71.6 | -178.8 | -176 | -146.2 | 5 | 112 | T33 R35 Q39 V40 D41 E60 L132 S135 | T33-R37 HydrophobicContact CG2-CG 4.5Å; T33-R37 WeakPolarHBondContact O-CB 3.29Å; T33-R37 WeakPolarHBondContact O-CG 3.15Å; T33-R37 PolarHBondContact O-N 3.3Å; R35-R37 VanDerWaalsContact C-N 3.32Å; R35-R37 PolarHBondContact O-N 3.25Å; R37-Q39 VanDerWaalsContact C-N 3.31Å; R37-Q39 PolarHBondContact O-N 3.06Å; R37-V40 PolarHBondContact O-N 3.39Å; R37-D41 WeakPolarHBondContact O-CA 3.48Å; R37-D41 WeakPolarHBondContact O-CB 3.22Å; R37-D41 PolarHBondContact O-N 3.24Å; R37-E60 IonicContact CZ-OE1 3.24Å; R37-E60 IonicContact CZ-OE2 3.94Å; R37-E60 IonicContact NH1-OE1 2.62Å; R37-E60 PolarHBondContact NH1-OE1 2.93Å; R37-E60 IonicContact NH1-OE2 3.04Å; R37-E60 PolarHBondContact NH1-OE2 2.88Å; R37-E60 VanDerWaalsContact NH1-OE2 3.15Å; R37-E60 IonicContact NH2-OE1 2.65Å; R37-E60 IonicContact NH2-OE2 2.64Å; R37-E60 PolarHBondContact NH2-OE2 3.48Å; R37-L132 HydrophobicContact CG-CD2 4.11Å; R37-S135 VanDerWaalsContact CZ-OG 3.29Å; R37-S135 PolarHBondContact NE-OG 3.34Å; R37-S135 PolarHBondContact NH2-OG 2.99Å; R37-S135 VanDerWaalsContact NH2-OG 3.14Å |
| 38 | L | 86.2 | Confident | 82 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.4 | -34.1 | 174.5 | -82.6 | 175.5 | 0 | 0 | 0 | 114.2 | A34 R35 A46 I52 K271 | A34-L38 WeakPolarHBondContact O-CB 3.49Å; A34-L38 WeakPolarHBondContact O-CG 3.35Å; A34-L38 PolarHBondContact O-N 3.27Å; R35-L38 WeakPolarHBondContact O-CB 3.44Å; R35-L38 PolarHBondContact O-N 3.18Å; L38-A46 VanDerWaalsContact CD2-O 3.29Å; L38-A46 WeakPolarHBondContact CD2-O 3.32Å; L38-I52 HydrophobicContact CD1-CD1 3.22Å; L38-I52 HydrophobicContact CD2-CD1 3.28Å; L38-I52 HydrophobicContact CD2-CG1 4.16Å; L38-I52 HydrophobicContact CG-CD1 3.29Å; L38-I52 HydrophobicContact CG-CG1 4.38Å; L38-K271 HydrophobicContact CB-CB 4.33Å |
| 39 | Q | 85.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -73.5 | -34.6 | -179.8 | -73.9 | -177.7 | -17.1 | 0 | 0 | 111.7 | R35 L36 R37 Y223 T227 S230 V231 R260 | R35-Q39 HydrophobicContact CG-CG 4.44Å; R35-Q39 VanDerWaalsContact NE-NE2 3.13Å; R35-Q39 WeakPolarHBondContact O-CG 3.29Å; R35-Q39 PolarHBondContact O-N 3.23Å; L36-Q39 PolarHBondContact O-N 3.22Å; R37-Q39 VanDerWaalsContact C-N 3.31Å; R37-Q39 PolarHBondContact O-N 3.06Å; Q39-Y223 PolarHBondContact NE2-OH 3.43Å; Q39-T227 HydrophobicContact CB-CG2 4.38Å; Q39-T227 HydrophobicContact CG-CG2 4.3Å; Q39-S230 PolarHBondContact OE1-OG 2.93Å; Q39-V231 WeakPolarHBondContact O-CG2 3.32Å; Q39-R260 PolarHBondContact O-NH1 2.71Å; Q39-R260 PolarHBondContact O-NH2 2.97Å |
| 40 | V | 83.4 | Confident | 81.4 | Confident | 8 Ų | 8 | 35.2 Ų | 35.2 | 5% | 0.048 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -95.1 | -40.8 | -175.7 | 176.8 | 0 | 0 | 0 | 0 | 112.8 | L36 R37 E42 L132 F137 I142 F234 | L36-V40 WeakPolarHBondContact O-CG2 3.46Å; L36-V40 PolarHBondContact O-N 3.11Å; R37-V40 PolarHBondContact O-N 3.39Å; V40-E42 PolarHBondContact O-N 2.78Å; V40-L132 HydrophobicContact CB-CD1 4.22Å; V40-L132 HydrophobicContact CG1-CD1 4.24Å; V40-L132 HydrophobicContact CG2-CD1 3.72Å; V40-F137 HydrophobicContact CG1-CE1 4.11Å; V40-I142 HydrophobicContact CG1-CD1 4.28Å; V40-F234 HydrophobicContact CG1-CB 4.25Å; V40-F234 HydrophobicContact CG1-CD1 3.36Å; V40-F234 HydrophobicContact CG1-CE1 3.74Å; V40-F234 HydrophobicContact CG1-CG 3.82Å; V40-F234 HydrophobicContact CG1-CZ 4.49Å; V40-F234 HydrophobicContact CG2-CB 4.24Å |
| 41 | D | 81.8 | Confident | 81.2 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.011 | 19% | 0.192 | C | C | . | . | trans | -86 | 86.7 | 176.7 | -165.3 | -10 | 0 | 0 | 0 | 110.9 | R37 N43 R44 F137 H138 | R37-D41 WeakPolarHBondContact O-CA 3.48Å; R37-D41 WeakPolarHBondContact O-CB 3.22Å; R37-D41 PolarHBondContact O-N 3.24Å; D41-N43 PolarHBondContact O-N 3.08Å; D41-N43 PolarHBondContact OD1-N 3.44Å; D41-R44 HydrophobicContact CB-CB 4.31Å; D41-R44 PolarHBondContact O-N 3.23Å; D41-F137 HydrophobicContact CB-CD1 4.02Å; D41-H138 IonicContact OD2-CG 3.15Å; D41-H138 PolarHBondContact OD2-N 2.86Å; D41-H138 IonicContact OD2-ND1 2.7Å; D41-H138 PolarHBondContact OD2-ND1 3.27Å | ||
| 42 | E | 72.5 | Confident | 80.9 | Confident | 33 Ų | 33 | 35.3 Ų | 35.3 | 15% | 0.154 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -27.7 | -178.6 | -63.7 | -173.6 | 173.7 | 0 | 0 | 113.2 | V40 R260 H264 K271 | V40-E42 PolarHBondContact O-N 2.78Å; E42-R260 VanDerWaalsContact CG-NH2 3.28Å; E42-R260 IonicContact OE1-CZ 3.63Å; E42-R260 IonicContact OE1-NE 2.74Å; E42-R260 PolarHBondContact OE1-NE 3.47Å; E42-R260 IonicContact OE1-NH2 2.68Å; E42-R260 PolarHBondContact OE1-NH2 3.43Å; E42-H264 PolarHBondContact O-CE1 3.16Å; E42-H264 IonicContact OE2-CD2 3.18Å; E42-H264 IonicContact OE2-NE2 3.37Å; E42-K271 PolarHBondContact O-NZ 3Å |
| 43 | N | 72.2 | Confident | 80.8 | Confident | 80 Ų | 80 | 36.7 Ų | 36.7 | 43% | 0.428 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -6.2 | -173.3 | -70.9 | -24 | 0 | 0 | 0 | 114 | D41 K45 H138 | D41-N43 PolarHBondContact O-N 3.08Å; D41-N43 PolarHBondContact OD1-N 3.44Å; N43-K45 PolarHBondContact O-N 2.93Å; N43-H138 HydrophobicContact CB-CB 4.26Å |
| 44 | R | 72.6 | Confident | 80.7 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | trans | -63.8 | 127.8 | -179.6 | -141 | 165.7 | -154.4 | -102.5 | -0 | 110.9 | D41 E59 | D41-R44 HydrophobicContact CB-CB 4.31Å; D41-R44 PolarHBondContact O-N 3.23Å; R44-E59 IonicContact CZ-OE2 3.82Å; R44-E59 VanDerWaalsContact NH2-CD 3.3Å; R44-E59 IonicContact NH2-OE1 3.37Å; R44-E59 PolarHBondContact NH2-OE1 2.94Å; R44-E59 IonicContact NH2-OE2 2.95Å; R44-E59 PolarHBondContact NH2-OE2 3.46Å | ||
| 45 | K | 66.7 | Low | 80.5 | Confident | 201 Ų | 201 | 40.8 Ų | 40.8 | 87% | 0.874 | 22% | 0.222 | S | C | * | . | trans | -73.4 | -33.6 | -177.5 | -69.4 | -176.4 | 179.9 | 178.4 | 0 | 112.8 | N43 K47 | N43-K45 PolarHBondContact O-N 2.93Å; K45-K47 PolarHBondContact O-N 3.29Å | ||
| 46 | A | 69.1 | Low | 80.2 | Confident | 13 Ų | 13 | 39.8 Ų | 39.8 | 11% | 0.107 | 22% | 0.218 | C | C | . | . | trans | -69.2 | 118.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L38 A51 I52 D55 | L38-A46 VanDerWaalsContact CD2-O 3.29Å; L38-A46 WeakPolarHBondContact CD2-O 3.32Å; A46-A51 HydrophobicContact CB-CB 4.28Å; A46-I52 HydrophobicContact CB-CD1 4.46Å; A46-I52 HydrophobicContact CB-CG1 3.48Å; A46-I52 VanDerWaalsContact CB-CG1 3.48Å; A46-I52 WeakPolarHBondContact O-CD1 3.35Å; A46-D55 WeakPolarHBondContact CB-OD2 3.19Å | ||
| 47 | K | 69.3 | Low | 80.2 | Confident | 145 Ų | 145 | 41.6 Ų | 41.6 | 63% | 0.63 | 23% | 0.229 | S | C | * | . | trans | -100.6 | -24.7 | -178.9 | -64.5 | -176.9 | -177.1 | 179.4 | 0 | 112.9 | K45 | K45-K47 PolarHBondContact O-N 3.29Š| ||
| 48 | S | 79 | Confident | 80.1 | Confident | 64 Ų | 64 | 49.6 Ų | 49.6 | 45% | 0.448 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -94.3 | 140.6 | -174.8 | -53.2 | 0 | 0 | 0 | 0 | 111.8 | A51 I52 | S48-A51 PolarHBondContact O-N 3.02Å; S48-I52 VanDerWaalsContact O-CD1 3.28Å; S48-I52 WeakPolarHBondContact O-CD1 2.97Å; S48-I52 WeakPolarHBondContact O-CG1 3.24Å; S48-I52 PolarHBondContact O-N 3.31Å; S48-I52 VanDerWaalsContact O-N 3.13Å |
| 49 | T | 82.3 | Confident | 80 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.5 | -45.1 | -176.2 | -52.2 | 0 | 0 | 0 | 0 | 113.8 | L31 A34 L53 E274 A275 | L31-T49 HydrophobicContact CD2-CG2 3.52Å; A34-T49 HydrophobicContact CB-CG2 4.43Å; T49-L53 HydrophobicContact CG2-CD1 4.43Å; T49-L53 WeakPolarHBondContact O-CG 3.33Å; T49-L53 PolarHBondContact O-N 3.02Å; T49-E274 WeakPolarHBondContact CB-OE2 3.38Å; T49-E274 PolarHBondContact N-OE2 3.09Å; T49-E274 VanDerWaalsContact OG1-CD 3.24Å; T49-E274 PolarHBondContact OG1-OE2 3.44Å; T49-A275 HydrophobicContact CG2-CB 3.71Å; T49-A275 PolarHBondContact OG1-N 2.84Å |
| 50 | P | 83.7 | Confident | 79.8 | Confident | 88 Ų | 88 | 54.3 Ų | 54.3 | 57% | 0.571 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -69.7 | -37.2 | 179.9 | -17.9 | 32.4 | 0 | 0 | 0 | 113.1 | I52 L53 A54 | P50-I52 VanDerWaalsContact C-N 3.33Å; P50-I52 PolarHBondContact O-N 3.48Å; P50-L53 PolarHBondContact O-N 3.3Å; P50-A54 WeakPolarHBondContact O-CB 3.44Å; P50-A54 PolarHBondContact O-N 3.42Å |
| 51 | A | 85 | Confident | 79.9 | Confident | 43 Ų | 43 | 55.4 Ų | 55.4 | 36% | 0.355 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A46 S48 A54 D55 | A46-A51 HydrophobicContact CB-CB 4.28Å; S48-A51 PolarHBondContact O-N 3.02Å; A51-A54 PolarHBondContact O-N 3.19Å; A51-D55 WeakPolarHBondContact O-CB 3.15Å; A51-D55 VanDerWaalsContact O-CG 3.22Å; A51-D55 PolarHBondContact O-N 3.09Å |
| 52 | I | 84.4 | Confident | 80 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 178.1 | -67.8 | 149.7 | 0 | 0 | 0 | 111.4 | A34 L38 A46 S48 P50 A54 D55 I56 | A34-I52 HydrophobicContact CB-CG2 4.14Å; L38-I52 HydrophobicContact CD1-CD1 3.22Å; L38-I52 HydrophobicContact CD2-CD1 3.28Å; L38-I52 HydrophobicContact CD2-CG1 4.16Å; L38-I52 HydrophobicContact CG-CD1 3.29Å; L38-I52 HydrophobicContact CG-CG1 4.38Å; A46-I52 HydrophobicContact CB-CD1 4.46Å; A46-I52 HydrophobicContact CB-CG1 3.48Å; A46-I52 VanDerWaalsContact CB-CG1 3.48Å; A46-I52 WeakPolarHBondContact O-CD1 3.35Å; S48-I52 VanDerWaalsContact O-CD1 3.28Å; S48-I52 WeakPolarHBondContact O-CD1 2.97Å; S48-I52 WeakPolarHBondContact O-CG1 3.24Å; S48-I52 PolarHBondContact O-N 3.31Å; S48-I52 VanDerWaalsContact O-N 3.13Å; P50-I52 VanDerWaalsContact C-N 3.33Å; P50-I52 PolarHBondContact O-N 3.48Å; I52-A54 VanDerWaalsContact C-N 3.3Å; I52-A54 PolarHBondContact O-N 3.5Å; I52-D55 PolarHBondContact O-N 3.15Å; I52-I56 HydrophobicContact CG2-CD1 3.62Å; I52-I56 HydrophobicContact CG2-CG1 4.17Å; I52-I56 WeakPolarHBondContact O-CB 3.32Å; I52-I56 WeakPolarHBondContact O-CD1 3.31Å; I52-I56 WeakPolarHBondContact O-CG1 3.47Å; I52-I56 PolarHBondContact O-N 2.7Å |
| 53 | L | 84.9 | Confident | 80.5 | Confident | 39 Ų | 39 | 67.4 Ų | 67.4 | 20% | 0.204 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 176.1 | -73.8 | 173.9 | 0 | 0 | 0 | 111.2 | P30 L31 A34 T49 P50 I56 V57 | P30-L53 HydrophobicContact CB-CD2 3.8Å; P30-L53 WeakPolarHBondContact O-CD2 3.4Å; L31-L53 HydrophobicContact CD2-CD1 4.31Å; A34-L53 HydrophobicContact CB-CD2 4Å; A34-L53 HydrophobicContact CB-CG 4.17Å; T49-L53 HydrophobicContact CG2-CD1 4.43Å; T49-L53 WeakPolarHBondContact O-CG 3.33Å; T49-L53 PolarHBondContact O-N 3.02Å; P50-L53 PolarHBondContact O-N 3.3Å; L53-I56 PolarHBondContact O-N 3.17Å; L53-V57 VanDerWaalsContact O-CG2 3.31Å; L53-V57 WeakPolarHBondContact O-CG2 3.21Å; L53-V57 PolarHBondContact O-N 3.14Å |
| 54 | A | 85.1 | Confident | 81 | Confident | 43 Ų | 43 | 63.9 Ų | 63.9 | 36% | 0.355 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | P50 A51 I52 V57 K58 | P50-A54 WeakPolarHBondContact O-CB 3.44Å; P50-A54 PolarHBondContact O-N 3.42Å; A51-A54 PolarHBondContact O-N 3.19Å; I52-A54 VanDerWaalsContact C-N 3.3Å; I52-A54 PolarHBondContact O-N 3.5Å; A54-V57 PolarHBondContact O-N 3.39Å; A54-K58 WeakPolarHBondContact O-CB 3.09Å; A54-K58 VanDerWaalsContact O-CG 3.28Å; A54-K58 WeakPolarHBondContact O-CG 3.47Å; A54-K58 PolarHBondContact O-N 2.68Å |
| 55 | D | 84.2 | Confident | 81.5 | Confident | 50 Ų | 50 | 63.9 Ų | 63.9 | 27% | 0.267 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 177.2 | -70.9 | -12 | 0 | 0 | 0 | 111.9 | A46 A51 I52 V57 K58 E59 | A46-D55 WeakPolarHBondContact CB-OD2 3.19Å; A51-D55 WeakPolarHBondContact O-CB 3.15Å; A51-D55 VanDerWaalsContact O-CG 3.22Å; A51-D55 PolarHBondContact O-N 3.09Å; I52-D55 PolarHBondContact O-N 3.15Å; D55-V57 VanDerWaalsContact C-N 3.34Å; D55-V57 PolarHBondContact O-N 3.16Å; D55-K58 PolarHBondContact O-N 2.78Å; D55-E59 VanDerWaalsContact O-CB 3.29Å; D55-E59 WeakPolarHBondContact O-CB 2.81Å; D55-E59 VanDerWaalsContact O-CG 3.32Å; D55-E59 WeakPolarHBondContact O-CG 3.2Å; D55-E59 PolarHBondContact O-N 3.37Å |
| 56 | I | 83.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 176.5 | -67.6 | 165.4 | 0 | 0 | 0 | 110.1 | I52 L53 K58 E59 E60 A64 P65 | I52-I56 HydrophobicContact CG2-CD1 3.62Å; I52-I56 HydrophobicContact CG2-CG1 4.17Å; I52-I56 WeakPolarHBondContact O-CB 3.32Å; I52-I56 WeakPolarHBondContact O-CD1 3.31Å; I52-I56 WeakPolarHBondContact O-CG1 3.47Å; I52-I56 PolarHBondContact O-N 2.7Å; L53-I56 PolarHBondContact O-N 3.17Å; I56-K58 VanDerWaalsContact C-N 3.32Å; I56-K58 PolarHBondContact O-N 2.74Å; I56-E59 PolarHBondContact O-N 3.15Å; I56-E60 WeakPolarHBondContact O-CB 3.41Å; I56-E60 PolarHBondContact O-N 3.42Å; I56-A64 HydrophobicContact CG2-CB 3.7Å; I56-P65 HydrophobicContact CG2-CG 4Å |
| 57 | V | 86.8 | Confident | 83 | Confident | 48 Ų | 48 | 63.3 Ų | 63.3 | 29% | 0.291 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 179 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | L53 A54 D55 G61 L62 P65 | L53-V57 VanDerWaalsContact O-CG2 3.31Å; L53-V57 WeakPolarHBondContact O-CG2 3.21Å; L53-V57 PolarHBondContact O-N 3.14Å; A54-V57 PolarHBondContact O-N 3.39Å; D55-V57 VanDerWaalsContact C-N 3.34Å; D55-V57 PolarHBondContact O-N 3.16Å; V57-G61 CarbonylContact O-C 3.47Å; V57-G61 WeakPolarHBondContact O-CA 3.34Å; V57-G61 PolarHBondContact O-N 3.14Å; V57-L62 HydrophobicContact CG1-CD2 3.48Å; V57-L62 VanDerWaalsContact CG1-CD2 3.48Å; V57-L62 HydrophobicContact CG1-CG 4.16Å; V57-P65 HydrophobicContact CG2-CG 4Å |
| 58 | K | 85.5 | Confident | 83.3 | Confident | 173 Ų | 173 | 57.1 Ų | 57.1 | 75% | 0.752 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -70.4 | -40.9 | 177.5 | -73.8 | 175.6 | -179.3 | -178.6 | 0 | 113 | A54 D55 I56 | A54-K58 WeakPolarHBondContact O-CB 3.09Å; A54-K58 VanDerWaalsContact O-CG 3.28Å; A54-K58 WeakPolarHBondContact O-CG 3.47Å; A54-K58 PolarHBondContact O-N 2.68Å; D55-K58 PolarHBondContact O-N 2.78Å; I56-K58 VanDerWaalsContact C-N 3.32Å; I56-K58 PolarHBondContact O-N 2.74Å |
| 59 | E | 83.2 | Confident | 83.5 | Confident | 59 Ų | 59 | 58.2 Ų | 58.2 | 28% | 0.276 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -82.7 | -31.8 | -174.2 | -74.1 | 174.8 | -162.3 | 0 | 0 | 113.8 | R44 D55 I56 K136 H138 | R44-E59 IonicContact CZ-OE2 3.82Å; R44-E59 VanDerWaalsContact NH2-CD 3.3Å; R44-E59 IonicContact NH2-OE1 3.37Å; R44-E59 PolarHBondContact NH2-OE1 2.94Å; R44-E59 IonicContact NH2-OE2 2.95Å; R44-E59 PolarHBondContact NH2-OE2 3.46Å; D55-E59 VanDerWaalsContact O-CB 3.29Å; D55-E59 WeakPolarHBondContact O-CB 2.81Å; D55-E59 VanDerWaalsContact O-CG 3.32Å; D55-E59 WeakPolarHBondContact O-CG 3.2Å; D55-E59 PolarHBondContact O-N 3.37Å; I56-E59 PolarHBondContact O-N 3.15Å; E59-K136 HydrophobicContact CB-CD 4.37Å; E59-K136 PolarHBondContact O-NZ 2.89Å; E59-H138 IonicContact OE1-CE1 3.93Å; E59-H138 IonicContact OE2-CE1 2.8Å |
| 60 | E | 80.9 | Confident | 83.5 | Confident | 41 Ų | 41 | 65.1 Ų | 65.1 | 19% | 0.192 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -130.3 | -6.3 | -168.5 | -63.2 | 177.3 | -153 | 0 | 0 | 114 | R37 I56 A64 S135 K136 | R37-E60 IonicContact CZ-OE1 3.24Å; R37-E60 IonicContact CZ-OE2 3.94Å; R37-E60 IonicContact NH1-OE1 2.62Å; R37-E60 PolarHBondContact NH1-OE1 2.93Å; R37-E60 IonicContact NH1-OE2 3.04Å; R37-E60 PolarHBondContact NH1-OE2 2.88Å; R37-E60 VanDerWaalsContact NH1-OE2 3.15Å; R37-E60 IonicContact NH2-OE1 2.65Å; R37-E60 IonicContact NH2-OE2 2.64Å; R37-E60 PolarHBondContact NH2-OE2 3.48Å; I56-E60 WeakPolarHBondContact O-CB 3.41Å; I56-E60 PolarHBondContact O-N 3.42Å; E60-A64 HydrophobicContact CB-CB 3.38Å; E60-S135 WeakPolarHBondContact OE1-CA 3.46Å; E60-K136 HydrophobicContact CG-CD 4.27Å; E60-K136 HydrophobicContact CG-CG 4.27Å; E60-K136 PolarHBondContact OE1-N 3.27Å |
| 61 | G | 84.8 | Confident | 83.1 | Confident | 30 Ų | 30 | 62.2 Ų | 62.2 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | trans | 95.6 | 171.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V57 L63 A64 | V57-G61 CarbonylContact O-C 3.47Å; V57-G61 WeakPolarHBondContact O-CA 3.34Å; V57-G61 PolarHBondContact O-N 3.14Å; G61-L63 VanDerWaalsContact C-N 3.27Å; G61-L63 PolarHBondContact O-N 3.37Å; G61-A64 VanDerWaalsContact O-CB 3.29Å; G61-A64 WeakPolarHBondContact O-CB 3.25Å; G61-A64 PolarHBondContact O-N 2.89Å; G61-A64 VanDerWaalsContact O-N 3.16Å | ||
| 62 | L | 84.3 | Confident | 82.8 | Confident | 142 Ų | 142 | 60.5 Ų | 60.5 | 74% | 0.743 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25.8 | -172.7 | -70.1 | 165.8 | 0 | 0 | 0 | 114.5 | V57 P65 | V57-L62 HydrophobicContact CG1-CD2 3.48Å; V57-L62 VanDerWaalsContact CG1-CD2 3.48Å; V57-L62 HydrophobicContact CG1-CG 4.16Å; L62-P65 WeakPolarHBondContact O-CD 3.36Å |
| 63 | L | 83.3 | Confident | 82.6 | Confident | 146 Ų | 146 | 62 Ų | 62 | 76% | 0.764 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -10.5 | 179.7 | -65.2 | 175.6 | 0 | 0 | 0 | 113.3 | G61 P65 Y66 R67 | G61-L63 VanDerWaalsContact C-N 3.27Å; G61-L63 PolarHBondContact O-N 3.37Å; L63-P65 VanDerWaalsContact C-CD 3.48Å; L63-Y66 PolarHBondContact O-N 3.28Å; L63-Y66 VanDerWaalsContact O-N 3.08Å; L63-R67 PolarHBondContact O-N 2.85Å |
| 64 | A | 82.1 | Confident | 82.5 | Confident | 6 Ų | 6 | 62.5 Ų | 62.5 | 5% | 0.05 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -60.7 | -36.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | I56 E60 G61 Y66 R67 | I56-A64 HydrophobicContact CG2-CB 3.7Å; E60-A64 HydrophobicContact CB-CB 3.38Å; G61-A64 VanDerWaalsContact O-CB 3.29Å; G61-A64 WeakPolarHBondContact O-CB 3.25Å; G61-A64 PolarHBondContact O-N 2.89Å; G61-A64 VanDerWaalsContact O-N 3.16Å; A64-Y66 PolarHBondContact O-N 2.94Å; A64-R67 VanDerWaalsContact O-CB 3.24Å; A64-R67 WeakPolarHBondContact O-CB 3.47Å; A64-R67 PolarHBondContact O-N 3.37Å; A64-R67 VanDerWaalsContact O-N 3.16Å |
| 65 | P | 84.9 | Confident | 81.9 | Confident | 8 Ų | 8 | 60.5 Ų | 60.5 | 5% | 0.052 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -62.9 | -24 | 175 | -23.3 | 34.8 | 0 | 0 | 0 | 114 | F29 P30 T33 I56 V57 L62 L63 | F29-P65 VanDerWaalsContact CD1-O 3.28Å; F29-P65 WeakPolarHBondContact CD1-O 3.49Å; P30-P65 HydrophobicContact CB-CB 3.88Å; P30-P65 HydrophobicContact CG-CB 4.13Å; T33-P65 WeakPolarHBondContact CB-O 3.46Å; T33-P65 PolarHBondContact OG1-O 3.15Å; I56-P65 HydrophobicContact CG2-CG 4Å; V57-P65 HydrophobicContact CG2-CG 4Å; L62-P65 WeakPolarHBondContact O-CD 3.36Å; L63-P65 VanDerWaalsContact C-CD 3.48Å |
| 66 | Y | 85.6 | Confident | 81.5 | Confident | 95 Ų | 95 | 60.6 Ų | 60.6 | 37% | 0.373 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -95.5 | 5.1 | 179.3 | -73.8 | -85.4 | 0 | 0 | 0 | 113.7 | T26 F29 P30 L63 A64 G68 W69 | T26-Y66 HydrophobicContact CG2-CE1 4.48Å; T26-Y66 VanDerWaalsContact O-CE1 3.28Å; T26-Y66 WeakPolarHBondContact O-CE1 3.48Å; F29-Y66 HydrophobicContact CB-CD1 4.26Å; F29-Y66 HydrophobicContact CB-CE1 4.14Å; F29-Y66 HydrophobicContact CD1-CD1 4.3Å; P30-Y66 HydrophobicContact CG-CD2 4.43Å; P30-Y66 HydrophobicContact CG-CE1 4.32Å; P30-Y66 HydrophobicContact CG-CE2 3.71Å; L63-Y66 PolarHBondContact O-N 3.28Å; L63-Y66 VanDerWaalsContact O-N 3.08Å; A64-Y66 PolarHBondContact O-N 2.94Å; Y66-G68 PolarHBondContact O-N 2.92Å; Y66-W69 WeakPolarHBondContact O-CB 3.36Å; Y66-W69 PolarHBondContact O-N 3.43Å; Y66-W69 VanDerWaalsContact O-N 3.09Å |
| 67 | R | 80.1 | Confident | 81.4 | Confident | 106 Ų | 106 | 64.2 Ų | 64.2 | 40% | 0.4 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 129.1 | -178.9 | -160.7 | 173.7 | -156.8 | 159.5 | 3.7 | 110.9 | L63 A64 W69 Q133 G134 | L63-R67 PolarHBondContact O-N 2.85Å; A64-R67 VanDerWaalsContact O-CB 3.24Å; A64-R67 WeakPolarHBondContact O-CB 3.47Å; A64-R67 PolarHBondContact O-N 3.37Å; A64-R67 VanDerWaalsContact O-N 3.16Å; R67-W69 VanDerWaalsContact C-N 3.32Å; R67-W69 PolarHBondContact O-N 2.88Å; R67-Q133 VanDerWaalsContact CD-O 3.3Å; R67-Q133 WeakPolarHBondContact CD-O 3.27Å; R67-Q133 PolarHBondContact NE-O 2.96Å; R67-G134 VanDerWaalsContact NH1-C 3.3Å; R67-G134 PolarHBondContact NH1-O 2.63Å |
| 68 | G | 76.6 | Confident | 80.9 | Confident | 16 Ų | 16 | 65 Ų | 65 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 5.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | Y66 F70 P71 V72 | Y66-G68 PolarHBondContact O-N 2.92Å; G68-F70 PolarHBondContact O-N 3.5Å; G68-P71 WeakPolarHBondContact O-CD 3.29Å; G68-V72 WeakPolarHBondContact O-CB 3.24Å; G68-V72 WeakPolarHBondContact O-CG2 3.37Å; G68-V72 PolarHBondContact O-N 3.4Å; G68-V72 VanDerWaalsContact O-N 3.15Å |
| 69 | W | 83.3 | Confident | 80.3 | Confident | 87 Ų | 87 | 57 Ų | 57 | 33% | 0.33 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -54.3 | -49.8 | 177.1 | 171.1 | 84.3 | 0 | 0 | 0 | 113.3 | T26 F29 Y66 R67 V72 I73 | T26-W69 HydrophobicContact CG2-CZ2 4.09Å; T26-W69 PolarHBondContact OG1-NE1 3.44Å; F29-W69 HydrophobicContact CD1-CB 4.27Å; F29-W69 HydrophobicContact CD2-CB 4.48Å; F29-W69 AromaticContact CD2-CD1 3.77Å; F29-W69 HydrophobicContact CE1-CB 4Å; F29-W69 HydrophobicContact CE2-CB 4.21Å; F29-W69 HydrophobicContact CG-CB 4.49Å; F29-W69 AromaticContact CG-CD1 3.96Å; F29-W69 VanDerWaalsContact CZ-CA 3.48Å; F29-W69 HydrophobicContact CZ-CB 3.97Å; Y66-W69 WeakPolarHBondContact O-CB 3.36Å; Y66-W69 PolarHBondContact O-N 3.43Å; Y66-W69 VanDerWaalsContact O-N 3.09Å; R67-W69 VanDerWaalsContact C-N 3.32Å; R67-W69 PolarHBondContact O-N 2.88Å; W69-V72 WeakPolarHBondContact O-CB 3.36Å; W69-V72 PolarHBondContact O-N 2.79Å; W69-I73 HydrophobicContact CD2-CD1 3.98Å; W69-I73 HydrophobicContact CG-CD1 4.47Å; W69-I73 HydrophobicContact CH2-CD1 4.07Å; W69-I73 HydrophobicContact CZ2-CD1 3.26Å; W69-I73 VanDerWaalsContact NE1-CD1 3.29Å; W69-I73 PolarHBondContact O-N 3.43Å |
| 70 | F | 81.1 | Confident | 80.1 | Confident | 148 Ų | 148 | 57.6 Ų | 57.6 | 65% | 0.649 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63.4 | -50.9 | -177.9 | 175.6 | -94 | 0 | 0 | 0 | 113.1 | G68 V72 I73 C74 | G68-F70 PolarHBondContact O-N 3.5Å; F70-V72 PolarHBondContact O-N 3.32Å; F70-I73 PolarHBondContact O-N 2.78Å; F70-C74 WeakPolarHBondContact O-CB 3.36Å; F70-C74 PolarHBondContact O-N 2.93Å |
| 71 | P | 76.4 | Confident | 80 | Confident | 27 Ų | 27 | 62.5 Ų | 62.5 | 18% | 0.175 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -54.9 | -34.1 | 173.3 | -27.2 | 32.5 | 0 | 0 | 0 | 113.8 | G68 S75 L130 I150 | G68-P71 WeakPolarHBondContact O-CD 3.29Å; P71-S75 WeakPolarHBondContact O-CB 3.49Å; P71-S75 PolarHBondContact O-N 3.47Å; P71-L130 HydrophobicContact CB-CD1 3.81Å; P71-L130 HydrophobicContact CG-CD1 4.45Å; P71-I150 HydrophobicContact CB-CD1 4.3Å; P71-I150 HydrophobicContact CB-CG1 4.09Å |
| 72 | V | 78.1 | Confident | 79.6 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -73.5 | -42.9 | -177 | 170.4 | 0 | 0 | 0 | 0 | 111.7 | M25 F29 G68 W69 F70 L76 K131 | M25-V72 HydrophobicContact CE-CG1 4.31Å; F29-V72 HydrophobicContact CE2-CB 4.28Å; F29-V72 HydrophobicContact CE2-CG1 4.13Å; F29-V72 HydrophobicContact CZ-CG2 4.49Å; G68-V72 WeakPolarHBondContact O-CB 3.24Å; G68-V72 WeakPolarHBondContact O-CG2 3.37Å; G68-V72 PolarHBondContact O-N 3.4Å; G68-V72 VanDerWaalsContact O-N 3.15Å; W69-V72 WeakPolarHBondContact O-CB 3.36Å; W69-V72 PolarHBondContact O-N 2.79Å; F70-V72 PolarHBondContact O-N 3.32Å; V72-L76 WeakPolarHBondContact O-CB 3.39Å; V72-L76 PolarHBondContact O-N 3.1Å; V72-K131 VanDerWaalsContact CG1-CE 3.43Å; V72-K131 HydrophobicContact CG2-CD 3.82Å; V72-K131 HydrophobicContact CG2-CG 3.43Å; V72-K131 VanDerWaalsContact CG2-CG 3.43Å |
| 73 | I | 81.3 | Confident | 79.1 | Confident | 32 Ų | 32 | 60.3 Ų | 60.3 | 16% | 0.164 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.6 | -48.9 | 173.4 | -70.1 | -177.4 | 0 | 0 | 0 | 109.9 | V22 W69 F70 S75 L76 C77 | V22-I73 HydrophobicContact CG1-CD1 4.1Å; W69-I73 HydrophobicContact CD2-CD1 3.98Å; W69-I73 HydrophobicContact CG-CD1 4.47Å; W69-I73 HydrophobicContact CH2-CD1 4.07Å; W69-I73 HydrophobicContact CZ2-CD1 3.26Å; W69-I73 VanDerWaalsContact NE1-CD1 3.29Å; W69-I73 PolarHBondContact O-N 3.43Å; F70-I73 PolarHBondContact O-N 2.78Å; I73-S75 VanDerWaalsContact C-N 3.32Å; I73-S75 PolarHBondContact O-N 3.24Å; I73-L76 WeakPolarHBondContact O-CB 3.49Å; I73-L76 PolarHBondContact O-N 2.77Å; I73-L76 VanDerWaalsContact O-N 3.14Å; I73-C77 PolarHBondContact O-N 3.47Å; I73-C77 PolarHBondContact O-SG 3.07Å |
| 74 | C | 80.8 | Confident | 78.7 | Confident | 48 Ų | 48 | 58.8 Ų | 58.8 | 32% | 0.324 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.1 | -47.6 | -179.8 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | F70 L76 C77 C78 I150 | F70-C74 WeakPolarHBondContact O-CB 3.36Å; F70-C74 PolarHBondContact O-N 2.93Å; C74-L76 PolarHBondContact O-N 2.99Å; C74-C77 WeakPolarHBondContact O-CB 3.38Å; C74-C77 PolarHBondContact O-N 2.9Å; C74-C78 PolarHBondContact O-N 3.07Å; C74-C78 PolarHBondContact O-SG 2.89Å; C74-C78 VanDerWaalsContact O-SG 3.33Å; C74-I150 HydrophobicContact CB-CD1 4.2Å |
| 75 | S | 73.8 | Confident | 78.6 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.2 | -29.2 | 178.9 | -172.7 | 0 | 0 | 0 | 0 | 113.3 | P71 I73 S79 N127 | P71-S75 WeakPolarHBondContact O-CB 3.49Å; P71-S75 PolarHBondContact O-N 3.47Å; I73-S75 VanDerWaalsContact C-N 3.32Å; I73-S75 PolarHBondContact O-N 3.24Å; S75-S79 WeakPolarHBondContact O-CB 3.42Å; S75-S79 PolarHBondContact O-N 2.93Å; S75-N127 WeakPolarHBondContact CB-ND2 3.32Å; S75-N127 WeakPolarHBondContact CB-OD1 3.27Å; S75-N127 PolarHBondContact OG-ND2 2.62Å; S75-N127 PolarHBondContact OG-OD1 2.8Å |
| 76 | L | 75.9 | Confident | 77.9 | Confident | 53 Ų | 53 | 66.9 Ų | 66.9 | 28% | 0.277 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.1 | -43 | 170.8 | -173 | 65.8 | 0 | 0 | 0 | 111 | V72 I73 C74 S79 N80 | V72-L76 WeakPolarHBondContact O-CB 3.39Å; V72-L76 PolarHBondContact O-N 3.1Å; I73-L76 WeakPolarHBondContact O-CB 3.49Å; I73-L76 PolarHBondContact O-N 2.77Å; I73-L76 VanDerWaalsContact O-N 3.14Å; C74-L76 PolarHBondContact O-N 2.99Å; L76-S79 PolarHBondContact O-N 3.21Å; L76-N80 VanDerWaalsContact O-CB 3.31Å; L76-N80 WeakPolarHBondContact O-CB 3.4Å; L76-N80 VanDerWaalsContact O-CG 3.24Å; L76-N80 PolarHBondContact O-N 3.36Å; L76-N80 PolarHBondContact O-ND2 3.27Å |
| 77 | C | 80 | Confident | 77.1 | Confident | 76 Ų | 76 | 65.4 Ų | 65.4 | 51% | 0.514 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 173.3 | -67.2 | 0 | 0 | 0 | 0 | 111.2 | I73 C74 N80 F81 | I73-C77 PolarHBondContact O-N 3.47Å; I73-C77 PolarHBondContact O-SG 3.07Å; C74-C77 WeakPolarHBondContact O-CB 3.38Å; C74-C77 PolarHBondContact O-N 2.9Å; C77-N80 PolarHBondContact O-N 2.93Å; C77-F81 WeakPolarHBondContact O-CB 3.34Å; C77-F81 PolarHBondContact O-N 3.44Å |
| 78 | C | 77.6 | Confident | 76.7 | Confident | 63 Ų | 63 | 65.8 Ų | 65.8 | 43% | 0.426 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 176.8 | -67.9 | 0 | 0 | 0 | 0 | 112.2 | C74 N80 F81 V82 | C74-C78 PolarHBondContact O-N 3.07Å; C74-C78 PolarHBondContact O-SG 2.89Å; C74-C78 VanDerWaalsContact O-SG 3.33Å; C78-N80 PolarHBondContact O-N 3.31Å; C78-F81 PolarHBondContact O-N 3.15Å; C78-V82 VanDerWaalsContact O-CG2 3.31Å; C78-V82 WeakPolarHBondContact O-CG2 3.28Å; C78-V82 PolarHBondContact O-N 3.32Å |
| 79 | S | 72.8 | Confident | 76.4 | Confident | 6 Ų | 6 | 73.1 Ų | 73.1 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 178.5 | 176.7 | 0 | 0 | 0 | 0 | 111.5 | S75 L76 Y83 T120 | S75-S79 WeakPolarHBondContact O-CB 3.42Å; S75-S79 PolarHBondContact O-N 2.93Å; L76-S79 PolarHBondContact O-N 3.21Å; S79-Y83 WeakPolarHBondContact O-CB 3.28Å; S79-Y83 PolarHBondContact O-N 3.07Å; S79-T120 WeakPolarHBondContact OG-CG2 3.5Å |
| 80 | N | 77.9 | Confident | 75.6 | Confident | 71 Ų | 71 | 70.6 Ų | 70.6 | 38% | 0.38 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.9 | -40.7 | 177.3 | -73.9 | -13.8 | 0 | 0 | 0 | 111.4 | L76 C77 C78 Y83 F84 | L76-N80 VanDerWaalsContact O-CB 3.31Å; L76-N80 WeakPolarHBondContact O-CB 3.4Å; L76-N80 VanDerWaalsContact O-CG 3.24Å; L76-N80 PolarHBondContact O-N 3.36Å; L76-N80 PolarHBondContact O-ND2 3.27Å; C77-N80 PolarHBondContact O-N 2.93Å; C78-N80 PolarHBondContact O-N 3.31Å; N80-Y83 PolarHBondContact O-N 3.37Å; N80-F84 HydrophobicContact CB-CD2 4.48Å; N80-F84 HydrophobicContact CB-CE2 4.5Å; N80-F84 WeakPolarHBondContact O-CD2 3.44Å; N80-F84 PolarHBondContact O-N 3.44Å |
| 81 | F | 79.8 | Confident | 74.8 | Confident | 145 Ų | 145 | 68.9 Ų | 68.9 | 64% | 0.636 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.8 | -50.2 | 175.8 | 179 | -96.1 | 0 | 0 | 0 | 111.6 | C77 C78 Y83 F84 Y85 | C77-F81 WeakPolarHBondContact O-CB 3.34Å; C77-F81 PolarHBondContact O-N 3.44Å; C78-F81 PolarHBondContact O-N 3.15Å; F81-Y83 VanDerWaalsContact C-N 3.32Å; F81-Y83 PolarHBondContact O-N 2.94Å; F81-F84 PolarHBondContact O-N 3.16Å; F81-Y85 WeakPolarHBondContact O-CB 3.31Å; F81-Y85 PolarHBondContact O-N 3.07Å |
| 82 | V | 76.8 | Confident | 74.5 | Confident | 45 Ų | 45 | 70.7 Ų | 70.7 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 176.7 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | C78 C86 L119 | C78-V82 VanDerWaalsContact O-CG2 3.31Å; C78-V82 WeakPolarHBondContact O-CG2 3.28Å; C78-V82 PolarHBondContact O-N 3.32Å; V82-C86 VanDerWaalsContact O-CB 3.25Å; V82-C86 WeakPolarHBondContact O-CB 3.5Å; V82-C86 PolarHBondContact O-N 2.95Å; V82-C86 PolarHBondContact O-SG 2.65Å; V82-L119 HydrophobicContact CG1-CB 4.28Å; V82-L119 HydrophobicContact CG1-CD1 4.33Å |
| 83 | Y | 73.1 | Confident | 73.8 | Confident | 80 Ų | 80 | 73.6 Ų | 73.6 | 31% | 0.314 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58 | -56.3 | 176.6 | 171.2 | -114.2 | 0 | 0 | 0 | 112 | S79 N80 F81 Y85 F87 N116 | S79-Y83 WeakPolarHBondContact O-CB 3.28Å; S79-Y83 PolarHBondContact O-N 3.07Å; N80-Y83 PolarHBondContact O-N 3.37Å; F81-Y83 VanDerWaalsContact C-N 3.32Å; F81-Y83 PolarHBondContact O-N 2.94Å; Y83-Y85 VanDerWaalsContact C-N 3.35Å; Y83-Y85 PolarHBondContact O-N 2.59Å; Y83-F87 HydrophobicContact CD2-CB 4.48Å; Y83-F87 HydrophobicContact CE2-CB 4.35Å; Y83-F87 HydrophobicContact CE2-CD2 4.37Å; Y83-F87 HydrophobicContact CE2-CG 4.48Å; Y83-F87 WeakPolarHBondContact O-CB 3.34Å; Y83-F87 PolarHBondContact O-N 3Å; Y83-N116 HydrophobicContact CD2-CB 4.01Å; Y83-N116 WeakPolarHBondContact CD2-OD1 3.27Å; Y83-N116 HydrophobicContact CE2-CB 4.24Å |
| 84 | F | 75.1 | Confident | 72.9 | Confident | 114 Ų | 114 | 77.7 Ų | 77.7 | 50% | 0.5 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | -178.3 | -78.3 | -66.4 | 0 | 0 | 0 | 111.3 | N80 F81 H88 | N80-F84 HydrophobicContact CB-CD2 4.48Å; N80-F84 HydrophobicContact CB-CE2 4.5Å; N80-F84 WeakPolarHBondContact O-CD2 3.44Å; N80-F84 PolarHBondContact O-N 3.44Å; F81-F84 PolarHBondContact O-N 3.16Å; F84-H88 VanDerWaalsContact O-CB 3.23Å; F84-H88 WeakPolarHBondContact O-CB 3.32Å; F84-H88 PolarHBondContact O-CD2 2.93Å; F84-H88 PolarHBondContact O-N 2.91Å |
| 85 | Y | 79.1 | Confident | 71.8 | Confident | 148 Ų | 148 | 81.1 Ų | 81.1 | 58% | 0.58 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.5 | -53.1 | 179.6 | -173.6 | -96.3 | 0 | 0 | 0 | 112 | F81 Y83 F87 H88 W89 | F81-Y85 WeakPolarHBondContact O-CB 3.31Å; F81-Y85 PolarHBondContact O-N 3.07Å; Y83-Y85 VanDerWaalsContact C-N 3.35Å; Y83-Y85 PolarHBondContact O-N 2.59Å; Y85-F87 PolarHBondContact O-N 3.24Å; Y85-H88 PolarHBondContact O-N 2.87Å; Y85-W89 VanDerWaalsContact O-CB 3.24Å; Y85-W89 WeakPolarHBondContact O-CB 3.28Å; Y85-W89 PolarHBondContact O-N 3.32Å |
| 86 | C | 71.8 | Confident | 71 | Confident | 36 Ų | 36 | 90.3 Ų | 90.3 | 24% | 0.243 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66 | -39.7 | -179.8 | -72.6 | 0 | 0 | 0 | 0 | 112.3 | V82 M90 L119 | V82-C86 VanDerWaalsContact O-CB 3.25Å; V82-C86 WeakPolarHBondContact O-CB 3.5Å; V82-C86 PolarHBondContact O-N 2.95Å; V82-C86 PolarHBondContact O-SG 2.65Å; C86-M90 WeakPolarHBondContact O-CB 3.44Å; C86-M90 PolarHBondContact O-N 3.05Å; C86-L119 HydrophobicContact CB-CD1 4.14Å |
| 87 | F | 68.3 | Low | 69.9 | Low | 64 Ų | 64 | 91.7 Ų | 91.7 | 28% | 0.281 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.7 | -46.4 | 178.3 | -175.6 | -97.9 | 0 | 0 | 0 | 111.6 | Y83 Y85 M90 K91 A112 | Y83-F87 HydrophobicContact CD2-CB 4.48Å; Y83-F87 HydrophobicContact CE2-CB 4.35Å; Y83-F87 HydrophobicContact CE2-CD2 4.37Å; Y83-F87 HydrophobicContact CE2-CG 4.48Å; Y83-F87 WeakPolarHBondContact O-CB 3.34Å; Y83-F87 PolarHBondContact O-N 3Å; Y85-F87 PolarHBondContact O-N 3.24Å; F87-M90 PolarHBondContact O-N 3.07Å; F87-K91 HydrophobicContact CE1-CD 4.08Å; F87-K91 VanDerWaalsContact O-CB 3.28Å; F87-K91 WeakPolarHBondContact O-CB 3.12Å; F87-K91 PolarHBondContact O-N 2.7Å; F87-A112 HydrophobicContact CD2-CB 4.11Å; F87-A112 HydrophobicContact CE2-CB 4.13Å |
| 88 | H | 70.6 | Confident | 68.5 | Low | 115 Ų | 115 | 99 Ų | 99 | 53% | 0.532 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 176.7 | -86.3 | -92.5 | 0 | 0 | 0 | 112.1 | F84 Y85 M90 K91 A92 | F84-H88 VanDerWaalsContact O-CB 3.23Å; F84-H88 WeakPolarHBondContact O-CB 3.32Å; F84-H88 PolarHBondContact O-CD2 2.93Å; F84-H88 PolarHBondContact O-N 2.91Å; Y85-H88 PolarHBondContact O-N 2.87Å; H88-M90 VanDerWaalsContact C-N 3.34Å; H88-M90 PolarHBondContact O-N 3.11Å; H88-K91 PolarHBondContact O-N 2.86Å; H88-A92 WeakPolarHBondContact O-CB 3.31Å; H88-A92 PolarHBondContact O-N 3.13Å |
| 89 | W | 71.8 | Confident | 67.4 | Low | 169 Ų | 169 | 105 Ų | 105 | 64% | 0.64 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.9 | -43.6 | 176 | -177.6 | 79.3 | 0 | 0 | 0 | 112 | Y85 S93 | Y85-W89 VanDerWaalsContact O-CB 3.24Å; Y85-W89 WeakPolarHBondContact O-CB 3.28Å; Y85-W89 PolarHBondContact O-N 3.32Å; W89-S93 WeakPolarHBondContact O-CB 3.46Å; W89-S93 PolarHBondContact O-N 2.93Å; W89-S93 PolarHBondContact O-OG 3.4Å |
| 90 | M | 65.4 | Low | 66.7 | Low | 34 Ų | 34 | 107.8 Ų | 107.8 | 17% | 0.167 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 177.3 | -162.7 | -179.9 | -43.3 | 0 | 0 | 111.7 | C86 F87 H88 W94 A112 I115 | C86-M90 WeakPolarHBondContact O-CB 3.44Å; C86-M90 PolarHBondContact O-N 3.05Å; F87-M90 PolarHBondContact O-N 3.07Å; H88-M90 VanDerWaalsContact C-N 3.34Å; H88-M90 PolarHBondContact O-N 3.11Å; M90-W94 VanDerWaalsContact O-CB 3.29Å; M90-W94 WeakPolarHBondContact O-CB 3.47Å; M90-W94 PolarHBondContact O-N 3.17Å; M90-W94 VanDerWaalsContact O-N 3.1Å; M90-A112 HydrophobicContact CE-CB 4.21Å; M90-A112 HydrophobicContact SD-CB 3.57Å; M90-A112 VanDerWaalsContact SD-CB 3.57Å; M90-I115 HydrophobicContact CE-CB 4.11Å; M90-I115 HydrophobicContact CE-CD1 3.6Å; M90-I115 HydrophobicContact CE-CG1 4.46Å; M90-I115 HydrophobicContact CE-CG2 3.99Å; M90-I115 HydrophobicContact SD-CD1 4.07Å |
| 91 | K | 64.4 | Low | 66.3 | Low | 112 Ų | 112 | 107.8 Ų | 107.8 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 178.4 | -167.8 | 175.1 | -176.6 | -176.4 | 0 | 112.2 | F87 H88 W94 L95 | F87-K91 HydrophobicContact CE1-CD 4.08Å; F87-K91 VanDerWaalsContact O-CB 3.28Å; F87-K91 WeakPolarHBondContact O-CB 3.12Å; F87-K91 PolarHBondContact O-N 2.7Å; H88-K91 PolarHBondContact O-N 2.86Å; K91-W94 PolarHBondContact O-N 2.71Å; K91-L95 HydrophobicContact CD-CD1 4.39Å; K91-L95 HydrophobicContact CG-CD1 3.49Å; K91-L95 VanDerWaalsContact CG-CD1 3.49Å; K91-L95 VanDerWaalsContact O-CD1 3.26Å; K91-L95 WeakPolarHBondContact O-CD1 3.47Å; K91-L95 PolarHBondContact O-N 2.93Å |
| 92 | A | 69.4 | Low | 66 | Low | 65 Ų | 65 | 106.3 Ų | 106.3 | 54% | 0.537 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.8 | -37.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | H88 W94 | H88-A92 WeakPolarHBondContact O-CB 3.31Å; H88-A92 PolarHBondContact O-N 3.13Å; A92-W94 VanDerWaalsContact C-N 3.3Å |
| 93 | S | 64.5 | Low | 65.8 | Low | 68 Ų | 68 | 107.8 Ų | 107.8 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70 | -30.4 | 175.6 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | W89 | W89-S93 WeakPolarHBondContact O-CB 3.46Å; W89-S93 PolarHBondContact O-N 2.93Å; W89-S93 PolarHBondContact O-OG 3.4Å |
| 94 | W | 61.3 | Low | 65.9 | Low | 119 Ų | 119 | 106.3 Ų | 106.3 | 45% | 0.451 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -84.9 | -43.5 | -176.9 | -163.6 | -86.5 | 0 | 0 | 0 | 114 | M90 K91 A92 K96 S97 T104 V108 | M90-W94 VanDerWaalsContact O-CB 3.29Å; M90-W94 WeakPolarHBondContact O-CB 3.47Å; M90-W94 PolarHBondContact O-N 3.17Å; M90-W94 VanDerWaalsContact O-N 3.1Å; K91-W94 PolarHBondContact O-N 2.71Å; A92-W94 VanDerWaalsContact C-N 3.3Å; W94-K96 PolarHBondContact O-N 3.32Å; W94-K96 VanDerWaalsContact O-N 3.08Å; W94-S97 PolarHBondContact O-N 3.34Å; W94-T104 HydrophobicContact CZ2-CG2 3.8Å; W94-V108 HydrophobicContact CD2-CG2 3.82Å; W94-V108 HydrophobicContact CE3-CG2 4.42Å; W94-V108 HydrophobicContact CG-CG1 4.44Å; W94-V108 HydrophobicContact CG-CG2 4.28Å; W94-V108 HydrophobicContact CH2-CG2 4.13Å; W94-V108 HydrophobicContact CZ2-CG2 3.49Å; W94-V108 VanDerWaalsContact CZ2-CG2 3.49Å |
| 95 | L | 57.8 | Low | 65.9 | Low | 120 Ų | 120 | 104.7 Ų | 104.7 | 63% | 0.628 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.9 | -14.2 | 177.3 | -94.4 | 104.9 | 0 | 0 | 0 | 113.8 | K91 S97 | K91-L95 HydrophobicContact CD-CD1 4.39Å; K91-L95 HydrophobicContact CG-CD1 3.49Å; K91-L95 VanDerWaalsContact CG-CD1 3.49Å; K91-L95 VanDerWaalsContact O-CD1 3.26Å; K91-L95 WeakPolarHBondContact O-CD1 3.47Å; K91-L95 PolarHBondContact O-N 2.93Å; L95-S97 VanDerWaalsContact C-N 3.26Å |
| 96 | K | 56.8 | Low | 65.9 | Low | 193 Ų | 193 | 103 Ų | 103 | 84% | 0.839 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -13.2 | 172.8 | -128.6 | 176.8 | -177.1 | -177.7 | 0 | 112.9 | W94 | W94-K96 PolarHBondContact O-N 3.32Å; W94-K96 VanDerWaalsContact O-N 3.08Å |
| 97 | S | 53.5 | Low | 66.3 | Low | 82 Ų | 82 | 106.2 Ų | 106.2 | 57% | 0.573 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -123.5 | 97.2 | -176.8 | -163.6 | 0 | 0 | 0 | 0 | 110.6 | W94 L95 | W94-S97 PolarHBondContact O-N 3.34Å; L95-S97 VanDerWaalsContact C-N 3.26Å |
| 98 | R | 51.6 | Low | 66.7 | Low | 229 Ų | 229 | 104.5 Ų | 104.5 | 86% | 0.864 | 54% | 0.536 | S | S | * | . | S | Bend | trans | 87.7 | 149.7 | 156 | -146.6 | 156.2 | -178.3 | 160.9 | -2 | 118.9 | S100 | R98-S100 PolarHBondContact O-N 3.01Š|
| 99 | Q | 53.4 | Low | 67 | Low | 189 Ų | 189 | 101 Ų | 101 | 88% | 0.883 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 116.1 | 171.9 | -75.7 | -169.8 | -7.1 | 0 | 0 | 110.2 | T101 | Q99-T101 PolarHBondContact O-N 2.96Š|
| 100 | S | 58 | Low | 67.5 | Low | 65 Ų | 65 | 97.8 Ų | 97.8 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 117.7 | -170.8 | -42.2 | 0 | 0 | 0 | 0 | 111 | R98 | R98-S100 PolarHBondContact O-N 3.01Š|
| 101 | T | 69.6 | Low | 68.3 | Low | 71 Ų | 71 | 99.6 Ų | 99.6 | 44% | 0.436 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 143.7 | 165 | 50.5 | 0 | 0 | 0 | 0 | 109.2 | Q99 S103 T104 D105 | Q99-T101 PolarHBondContact O-N 2.96Å; T101-S103 PolarHBondContact O-N 3.46Å; T101-T104 PolarHBondContact O-N 3.39Å; T101-T104 PolarHBondContact OG1-OG1 3.25Å; T101-D105 PolarHBondContact O-N 2.73Å |
| 102 | P | 73.1 | Confident | 69 | Low | 114 Ų | 114 | 94.6 Ų | 94.6 | 74% | 0.74 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -55.6 | -28.5 | -178.5 | -28.1 | 34.6 | 0 | 0 | 0 | 114.8 | L106 | P102-L106 PolarHBondContact O-N 3.04Å |
| 103 | S | 73.8 | Confident | 69.4 | Low | 76 Ų | 76 | 92.7 Ų | 92.7 | 53% | 0.531 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.4 | -37.1 | 176 | 48.5 | 0 | 0 | 0 | 0 | 112.9 | T101 L106 I107 | T101-S103 PolarHBondContact O-N 3.46Å; S103-L106 PolarHBondContact O-N 3.33Å; S103-I107 WeakPolarHBondContact O-CG1 3.35Å; S103-I107 PolarHBondContact O-N 3.34Å |
| 104 | T | 74.1 | Confident | 70.4 | Confident | 49 Ų | 49 | 92.2 Ų | 92.2 | 30% | 0.301 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.7 | -40.3 | 176.3 | -61.1 | 0 | 0 | 0 | 0 | 111 | W94 T101 L106 I107 V108 | W94-T104 HydrophobicContact CZ2-CG2 3.8Å; T101-T104 PolarHBondContact O-N 3.39Å; T101-T104 PolarHBondContact OG1-OG1 3.25Å; T104-L106 VanDerWaalsContact C-N 3.29Å; T104-L106 PolarHBondContact O-N 3Å; T104-I107 PolarHBondContact O-N 2.88Å; T104-V108 HydrophobicContact CG2-CG2 4.41Å; T104-V108 VanDerWaalsContact O-CG2 3.22Å; T104-V108 WeakPolarHBondContact O-CG2 3.43Å; T104-V108 PolarHBondContact O-N 2.83Å |
| 105 | D | 75.5 | Confident | 71.4 | Confident | 81 Ų | 81 | 89.5 Ų | 89.5 | 43% | 0.433 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -36.8 | 176.5 | -69.5 | -22.6 | 0 | 0 | 0 | 112.4 | T101 G109 | T101-D105 PolarHBondContact O-N 2.73Å; D105-G109 PolarHBondContact O-N 3.39Å |
| 106 | L | 79.3 | Confident | 72.6 | Confident | 112 Ų | 112 | 85.7 Ų | 85.7 | 59% | 0.586 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.3 | -46.2 | 176 | -173.2 | 150.9 | 0 | 0 | 0 | 111.7 | P102 S103 T104 V108 G109 I110 | P102-L106 PolarHBondContact O-N 3.04Å; S103-L106 PolarHBondContact O-N 3.33Å; T104-L106 VanDerWaalsContact C-N 3.29Å; T104-L106 PolarHBondContact O-N 3Å; L106-V108 VanDerWaalsContact C-N 3.34Å; L106-V108 PolarHBondContact O-N 3.48Å; L106-G109 PolarHBondContact O-N 3.43Å; L106-I110 HydrophobicContact CD2-CD1 3.52Å; L106-I110 HydrophobicContact CD2-CG1 4.31Å; L106-I110 WeakPolarHBondContact O-CG1 3.49Å; L106-I110 PolarHBondContact O-N 2.64Å |
| 107 | I | 79.9 | Confident | 73.9 | Confident | 104 Ų | 104 | 77 Ų | 77 | 53% | 0.533 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 178 | -66.8 | 167.3 | 0 | 0 | 0 | 110.2 | S103 T104 G109 I110 V111 | S103-I107 WeakPolarHBondContact O-CG1 3.35Å; S103-I107 PolarHBondContact O-N 3.34Å; T104-I107 PolarHBondContact O-N 2.88Å; I107-G109 VanDerWaalsContact C-N 3.3Å; I107-G109 PolarHBondContact O-N 3.2Å; I107-I110 PolarHBondContact O-N 2.88Å; I107-I110 VanDerWaalsContact O-N 3.13Å; I107-V111 HydrophobicContact CG2-CG2 4.31Å; I107-V111 WeakPolarHBondContact O-CG2 3.31Å; I107-V111 PolarHBondContact O-N 3.43Å |
| 108 | V | 76.4 | Confident | 75.4 | Confident | 27 Ų | 27 | 76.8 Ų | 76.8 | 16% | 0.164 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.7 | -42 | 177.3 | 173.3 | 0 | 0 | 0 | 0 | 111 | W94 T104 L106 I110 V111 A112 | W94-V108 HydrophobicContact CD2-CG2 3.82Å; W94-V108 HydrophobicContact CE3-CG2 4.42Å; W94-V108 HydrophobicContact CG-CG1 4.44Å; W94-V108 HydrophobicContact CG-CG2 4.28Å; W94-V108 HydrophobicContact CH2-CG2 4.13Å; W94-V108 HydrophobicContact CZ2-CG2 3.49Å; W94-V108 VanDerWaalsContact CZ2-CG2 3.49Å; T104-V108 HydrophobicContact CG2-CG2 4.41Å; T104-V108 VanDerWaalsContact O-CG2 3.22Å; T104-V108 WeakPolarHBondContact O-CG2 3.43Å; T104-V108 PolarHBondContact O-N 2.83Å; L106-V108 VanDerWaalsContact C-N 3.34Å; L106-V108 PolarHBondContact O-N 3.48Å; V108-I110 VanDerWaalsContact C-N 3.33Å; V108-I110 PolarHBondContact O-N 2.88Å; V108-V111 PolarHBondContact O-N 2.9Å; V108-A112 VanDerWaalsContact O-CB 3.22Å; V108-A112 WeakPolarHBondContact O-CB 3.46Å; V108-A112 PolarHBondContact O-N 3.35Å |
| 109 | G | 77.4 | Confident | 77 | Confident | 41 Ų | 41 | 69.6 Ų | 69.6 | 42% | 0.423 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D105 L106 I107 G113 | D105-G109 PolarHBondContact O-N 3.39Å; L106-G109 PolarHBondContact O-N 3.43Å; I107-G109 VanDerWaalsContact C-N 3.3Å; I107-G109 PolarHBondContact O-N 3.2Å; G109-G113 PolarHBondContact O-N 3.22Å |
| 110 | I | 81.9 | Confident | 78.4 | Confident | 102 Ų | 102 | 61.1 Ų | 61.1 | 52% | 0.523 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.9 | -49.7 | 176.2 | -67.7 | 173.3 | 0 | 0 | 0 | 110.8 | L106 I107 V108 A112 G113 V114 | L106-I110 HydrophobicContact CD2-CD1 3.52Å; L106-I110 HydrophobicContact CD2-CG1 4.31Å; L106-I110 WeakPolarHBondContact O-CG1 3.49Å; L106-I110 PolarHBondContact O-N 2.64Å; I107-I110 PolarHBondContact O-N 2.88Å; I107-I110 VanDerWaalsContact O-N 3.13Å; V108-I110 VanDerWaalsContact C-N 3.33Å; V108-I110 PolarHBondContact O-N 2.88Å; I110-A112 VanDerWaalsContact C-N 3.34Å; I110-A112 PolarHBondContact O-N 3.45Å; I110-G113 PolarHBondContact O-N 3.3Å; I110-G113 VanDerWaalsContact O-N 3.14Å; I110-V114 HydrophobicContact CG2-CG2 4.47Å; I110-V114 WeakPolarHBondContact O-CG2 3.44Å; I110-V114 PolarHBondContact O-N 3.33Å |
| 111 | V | 82.1 | Confident | 79.8 | Confident | 72 Ų | 72 | 58 Ų | 58 | 44% | 0.436 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | -179.9 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | I107 V108 G113 V114 I115 | I107-V111 HydrophobicContact CG2-CG2 4.31Å; I107-V111 WeakPolarHBondContact O-CG2 3.31Å; I107-V111 PolarHBondContact O-N 3.43Å; V108-V111 PolarHBondContact O-N 2.9Å; V111-G113 VanDerWaalsContact C-N 3.31Å; V111-G113 PolarHBondContact O-N 2.89Å; V111-V114 PolarHBondContact O-N 2.97Å; V111-I115 HydrophobicContact CG1-CD1 3.73Å; V111-I115 HydrophobicContact CG1-CG1 4.41Å; V111-I115 VanDerWaalsContact O-CG1 3.32Å; V111-I115 WeakPolarHBondContact O-CG1 3.14Å; V111-I115 PolarHBondContact O-N 3.43Å |
| 112 | A | 79.4 | Confident | 80.6 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | F87 M90 V108 I110 N116 | F87-A112 HydrophobicContact CD2-CB 4.11Å; F87-A112 HydrophobicContact CE2-CB 4.13Å; M90-A112 HydrophobicContact CE-CB 4.21Å; M90-A112 HydrophobicContact SD-CB 3.57Å; M90-A112 VanDerWaalsContact SD-CB 3.57Å; V108-A112 VanDerWaalsContact O-CB 3.22Å; V108-A112 WeakPolarHBondContact O-CB 3.46Å; V108-A112 PolarHBondContact O-N 3.35Å; I110-A112 VanDerWaalsContact C-N 3.34Å; I110-A112 PolarHBondContact O-N 3.45Å; A112-N116 VanDerWaalsContact O-CB 3.32Å; A112-N116 WeakPolarHBondContact O-CB 3.34Å; A112-N116 PolarHBondContact O-N 3.02Å |
| 113 | G | 78.9 | Confident | 81.2 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 27% | 0.268 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G109 I110 V111 N116 V117 | G109-G113 PolarHBondContact O-N 3.22Å; I110-G113 PolarHBondContact O-N 3.3Å; I110-G113 VanDerWaalsContact O-N 3.14Å; V111-G113 VanDerWaalsContact C-N 3.31Å; V111-G113 PolarHBondContact O-N 2.89Å; G113-N116 PolarHBondContact O-N 2.92Å; G113-V117 WeakPolarHBondContact O-CG2 3.47Å; G113-V117 PolarHBondContact O-N 2.66Å |
| 114 | V | 84.5 | Confident | 81.7 | Confident | 58 Ų | 58 | 52.2 Ų | 52.2 | 35% | 0.352 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 177.4 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | I110 V111 N116 V117 L118 L174 | I110-V114 HydrophobicContact CG2-CG2 4.47Å; I110-V114 WeakPolarHBondContact O-CG2 3.44Å; I110-V114 PolarHBondContact O-N 3.33Å; V111-V114 PolarHBondContact O-N 2.97Å; V114-N116 VanDerWaalsContact C-N 3.3Å; V114-N116 PolarHBondContact O-N 3.23Å; V114-V117 PolarHBondContact O-N 3.04Å; V114-L118 HydrophobicContact CG1-CD1 4.07Å; V114-L118 HydrophobicContact CG1-CG 4.44Å; V114-L118 WeakPolarHBondContact O-CG 3.33Å; V114-L118 PolarHBondContact O-N 3.26Å; V114-L174 HydrophobicContact CG2-CD2 4.19Å |
| 115 | I | 83.4 | Confident | 82.3 | Confident | 61 Ų | 61 | 49.9 Ų | 49.9 | 31% | 0.313 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.5 | -44 | 177.7 | -68.5 | 168.1 | 0 | 0 | 0 | 110.4 | M90 V111 V117 L118 L119 | M90-I115 HydrophobicContact CE-CB 4.11Å; M90-I115 HydrophobicContact CE-CD1 3.6Å; M90-I115 HydrophobicContact CE-CG1 4.46Å; M90-I115 HydrophobicContact CE-CG2 3.99Å; M90-I115 HydrophobicContact SD-CD1 4.07Å; V111-I115 HydrophobicContact CG1-CD1 3.73Å; V111-I115 HydrophobicContact CG1-CG1 4.41Å; V111-I115 VanDerWaalsContact O-CG1 3.32Å; V111-I115 WeakPolarHBondContact O-CG1 3.14Å; V111-I115 PolarHBondContact O-N 3.43Å; I115-V117 PolarHBondContact O-N 3.42Å; I115-L118 PolarHBondContact O-N 2.96Å; I115-L119 HydrophobicContact CG2-CD1 3.85Å; I115-L119 HydrophobicContact CG2-CG 4.34Å; I115-L119 WeakPolarHBondContact O-CG 3.46Å; I115-L119 PolarHBondContact O-N 3.47Å |
| 116 | N | 83.1 | Confident | 82.8 | Confident | 40 Ų | 40 | 46.1 Ų | 46.1 | 21% | 0.214 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.7 | -47.1 | 176 | 173.8 | 49.5 | 0 | 0 | 0 | 112.2 | Y83 A112 G113 V114 L118 L119 T120 | Y83-N116 HydrophobicContact CD2-CB 4.01Å; Y83-N116 WeakPolarHBondContact CD2-OD1 3.27Å; Y83-N116 HydrophobicContact CE2-CB 4.24Å; A112-N116 VanDerWaalsContact O-CB 3.32Å; A112-N116 WeakPolarHBondContact O-CB 3.34Å; A112-N116 PolarHBondContact O-N 3.02Å; G113-N116 PolarHBondContact O-N 2.92Å; V114-N116 VanDerWaalsContact C-N 3.3Å; V114-N116 PolarHBondContact O-N 3.23Å; N116-L118 VanDerWaalsContact C-N 3.31Å; N116-L118 PolarHBondContact O-N 3.43Å; N116-L119 PolarHBondContact O-N 3.29Å; N116-T120 WeakPolarHBondContact O-CB 3.2Å; N116-T120 WeakPolarHBondContact O-CG2 3.43Å; N116-T120 PolarHBondContact O-N 2.67Å; N116-T120 PolarHBondContact O-OG1 2.8Å; N116-T120 VanDerWaalsContact OD1-CG2 3.31Å; N116-T120 WeakPolarHBondContact OD1-CG2 3.12Å |
| 117 | V | 83.7 | Confident | 83.1 | Confident | 12 Ų | 12 | 41 Ų | 41 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 178 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | G113 V114 I115 L119 T120 T121 T170 L174 V177 | G113-V117 WeakPolarHBondContact O-CG2 3.47Å; G113-V117 PolarHBondContact O-N 2.66Å; V114-V117 PolarHBondContact O-N 3.04Å; I115-V117 PolarHBondContact O-N 3.42Å; V117-L119 PolarHBondContact O-N 2.77Å; V117-T120 PolarHBondContact O-N 3.34Å; V117-T121 VanDerWaalsContact O-CB 3.29Å; V117-T121 WeakPolarHBondContact O-CB 3.23Å; V117-T121 PolarHBondContact O-N 3.39Å; V117-T121 PolarHBondContact O-OG1 2.91Å; V117-T170 HydrophobicContact CG1-CG2 4.12Å; V117-L174 HydrophobicContact CB-CD2 3.88Å; V117-L174 HydrophobicContact CG1-CD2 3.87Å; V117-L174 HydrophobicContact CG1-CG 4.1Å; V117-L174 HydrophobicContact CG2-CD2 4.05Å; V117-V177 HydrophobicContact CG2-CG2 4.3Å |
| 118 | L | 85.4 | Confident | 83.4 | Confident | 77 Ų | 77 | 36.4 Ų | 36.4 | 40% | 0.403 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.6 | -38.7 | 178.3 | -69.9 | 175 | 0 | 0 | 0 | 113.2 | V114 I115 N116 P122 W167 T170 | V114-L118 HydrophobicContact CG1-CD1 4.07Å; V114-L118 HydrophobicContact CG1-CG 4.44Å; V114-L118 WeakPolarHBondContact O-CG 3.33Å; V114-L118 PolarHBondContact O-N 3.26Å; I115-L118 PolarHBondContact O-N 2.96Å; N116-L118 VanDerWaalsContact C-N 3.31Å; N116-L118 PolarHBondContact O-N 3.43Å; L118-P122 WeakPolarHBondContact O-CD 3.31Å; L118-W167 PolarHBondContact O-NE1 2.89Å; L118-T170 HydrophobicContact CD2-CG2 4Å |
| 119 | L | 84.4 | Confident | 83.8 | Confident | 78 Ų | 78 | 35.2 Ų | 35.2 | 41% | 0.408 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -74.5 | -36.8 | 178.7 | -70.5 | 174.3 | 0 | 0 | 0 | 112.8 | V82 C86 I115 N116 V117 | V82-L119 HydrophobicContact CG1-CB 4.28Å; V82-L119 HydrophobicContact CG1-CD1 4.33Å; C86-L119 HydrophobicContact CB-CD1 4.14Å; I115-L119 HydrophobicContact CG2-CD1 3.85Å; I115-L119 HydrophobicContact CG2-CG 4.34Å; I115-L119 WeakPolarHBondContact O-CG 3.46Å; I115-L119 PolarHBondContact O-N 3.47Å; N116-L119 PolarHBondContact O-N 3.29Å; V117-L119 PolarHBondContact O-N 2.77Å |
| 120 | T | 83.3 | Confident | 84.1 | Confident | 10 Ų | 10 | 33.7 Ų | 33.7 | 6% | 0.061 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -88.8 | -23.7 | -174.5 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | S79 N116 V117 L123 W124 | S79-T120 WeakPolarHBondContact OG-CG2 3.5Å; N116-T120 WeakPolarHBondContact O-CB 3.2Å; N116-T120 WeakPolarHBondContact O-CG2 3.43Å; N116-T120 PolarHBondContact O-N 2.67Å; N116-T120 PolarHBondContact O-OG1 2.8Å; N116-T120 VanDerWaalsContact OD1-CG2 3.31Å; N116-T120 WeakPolarHBondContact OD1-CG2 3.12Å; V117-T120 PolarHBondContact O-N 3.34Å; T120-L123 WeakPolarHBondContact O-CB 3.35Å; T120-L123 PolarHBondContact O-N 2.89Å; T120-L123 VanDerWaalsContact O-N 3.15Å; T120-W124 PolarHBondContact O-N 3.45Å |
| 121 | T | 86.4 | Confident | 84.1 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.3 | -43.7 | -177.1 | -61 | 0 | 0 | 0 | 0 | 113.7 | V117 L123 W124 V125 L166 T170 | V117-T121 VanDerWaalsContact O-CB 3.29Å; V117-T121 WeakPolarHBondContact O-CB 3.23Å; V117-T121 PolarHBondContact O-N 3.39Å; V117-T121 PolarHBondContact O-OG1 2.91Å; T121-L123 VanDerWaalsContact C-N 3.31Å; T121-L123 PolarHBondContact O-N 3.49Å; T121-W124 WeakPolarHBondContact O-CB 3.24Å; T121-W124 PolarHBondContact O-N 3.18Å; T121-W124 VanDerWaalsContact O-N 3.07Å; T121-V125 HydrophobicContact CG2-CG2 4.23Å; T121-V125 WeakPolarHBondContact O-CG2 3.08Å; T121-V125 PolarHBondContact O-N 3.48Å; T121-L166 CarbonylContact C-O 3.55Å; T121-T170 WeakPolarHBondContact CG2-OG1 3.28Å |
| 122 | P | 86.5 | Confident | 84.1 | Confident | 14 Ų | 14 | 26.2 Ų | 26.2 | 9% | 0.091 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55.4 | -42.8 | 175.3 | -29.1 | 37.2 | 0 | 0 | 0 | 113.8 | L118 V125 V126 F154 L166 W167 | L118-P122 WeakPolarHBondContact O-CD 3.31Å; P122-V125 PolarHBondContact O-N 3.49Å; P122-V126 WeakPolarHBondContact O-CG2 3.29Å; P122-V126 PolarHBondContact O-N 3.31Å; P122-V126 VanDerWaalsContact O-N 3.1Å; P122-F154 HydrophobicContact CB-CE2 4.31Å; P122-L166 VanDerWaalsContact CA-O 3.29Å; P122-L166 WeakPolarHBondContact CA-O 3.03Å; P122-L166 HydrophobicContact CB-CB 4.02Å; P122-L166 HydrophobicContact CB-CD2 4.41Å; P122-L166 HydrophobicContact CG-CB 4.21Å; P122-W167 HydrophobicContact CG-CD2 4.28Å; P122-W167 HydrophobicContact CG-CH2 4.3Å; P122-W167 HydrophobicContact CG-CZ2 3.78Å |
| 123 | L | 86 | Confident | 84 | Confident | 42 Ų | 42 | 27 Ų | 27 | 22% | 0.22 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.6 | -41.3 | 176.7 | -66.8 | 175.3 | 0 | 0 | 0 | 111.2 | T120 T121 V126 N127 | T120-L123 WeakPolarHBondContact O-CB 3.35Å; T120-L123 PolarHBondContact O-N 2.89Å; T120-L123 VanDerWaalsContact O-N 3.15Å; T121-L123 VanDerWaalsContact C-N 3.31Å; T121-L123 PolarHBondContact O-N 3.49Å; L123-V126 PolarHBondContact O-N 3.46Å; L123-N127 WeakPolarHBondContact O-CB 3.4Å; L123-N127 PolarHBondContact O-N 2.86Å; L123-N127 PolarHBondContact O-ND2 3Å; L123-N127 PolarHBondContact O-OD1 2.81Å |
| 124 | W | 84.8 | Confident | 83.5 | Confident | 83 Ų | 83 | 27.3 Ų | 27.3 | 31% | 0.314 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -65.8 | -37.2 | 176.7 | -79.9 | 107.2 | 0 | 0 | 0 | 113.4 | T120 T121 N127 T128 | T120-W124 PolarHBondContact O-N 3.45Å; T121-W124 WeakPolarHBondContact O-CB 3.24Å; T121-W124 PolarHBondContact O-N 3.18Å; T121-W124 VanDerWaalsContact O-N 3.07Å; W124-N127 PolarHBondContact O-N 3.41Å; W124-T128 PolarHBondContact O-N 2.79Å; W124-T128 PolarHBondContact O-OG1 2.74Å; W124-T128 VanDerWaalsContact O-OG1 3.1Å |
| 125 | V | 86.3 | Confident | 83 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.2 | -49.1 | 175 | 167.9 | 0 | 0 | 0 | 0 | 110.3 | T121 P122 N127 T128 R129 I157 L166 N168 R233 | T121-V125 HydrophobicContact CG2-CG2 4.23Å; T121-V125 WeakPolarHBondContact O-CG2 3.08Å; T121-V125 PolarHBondContact O-N 3.48Å; P122-V125 PolarHBondContact O-N 3.49Å; V125-N127 VanDerWaalsContact C-N 3.33Å; V125-N127 PolarHBondContact O-N 2.85Å; V125-T128 PolarHBondContact O-N 3.07Å; V125-R129 WeakPolarHBondContact O-CG 3.36Å; V125-R129 PolarHBondContact O-N 3.49Å; V125-R129 VanDerWaalsContact O-N 3.08Å; V125-I157 HydrophobicContact CG1-CD1 4.46Å; V125-L166 VanDerWaalsContact CG2-O 3.27Å; V125-L166 WeakPolarHBondContact CG2-O 3.18Å; V125-N168 WeakPolarHBondContact CG2-O 3.22Å; V125-R233 HydrophobicContact CG2-CB 4.26Å; V125-R233 HydrophobicContact CG2-CG 3.99Å |
| 126 | V | 86.4 | Confident | 82.1 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.2 | -44.7 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 111 | P122 L123 T128 R129 L130 I150 A153 F154 I157 L166 | P122-V126 WeakPolarHBondContact O-CG2 3.29Å; P122-V126 PolarHBondContact O-N 3.31Å; P122-V126 VanDerWaalsContact O-N 3.1Å; L123-V126 PolarHBondContact O-N 3.46Å; V126-T128 PolarHBondContact O-N 3.46Å; V126-R129 PolarHBondContact O-N 3.17Å; V126-L130 HydrophobicContact CG1-CD1 3.68Å; V126-L130 HydrophobicContact CG1-CG 4.25Å; V126-L130 WeakPolarHBondContact O-CB 3.32Å; V126-L130 WeakPolarHBondContact O-CG 3.39Å; V126-L130 PolarHBondContact O-N 3.35Å; V126-I150 HydrophobicContact CG1-CG2 3.97Å; V126-A153 HydrophobicContact CG1-CB 3.77Å; V126-F154 HydrophobicContact CG2-CB 4.42Å; V126-F154 HydrophobicContact CG2-CD2 4.16Å; V126-I157 HydrophobicContact CG2-CD1 3.88Å; V126-L166 HydrophobicContact CG2-CD2 4.34Å |
| 127 | N | 85.6 | Confident | 81.6 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.027 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.8 | -48.5 | 177.9 | -72.6 | -16.8 | 0 | 0 | 0 | 112.8 | S75 L123 W124 V125 R129 L130 K131 | S75-N127 WeakPolarHBondContact CB-ND2 3.32Å; S75-N127 WeakPolarHBondContact CB-OD1 3.27Å; S75-N127 PolarHBondContact OG-ND2 2.62Å; S75-N127 PolarHBondContact OG-OD1 2.8Å; L123-N127 WeakPolarHBondContact O-CB 3.4Å; L123-N127 PolarHBondContact O-N 2.86Å; L123-N127 PolarHBondContact O-ND2 3Å; L123-N127 PolarHBondContact O-OD1 2.81Å; W124-N127 PolarHBondContact O-N 3.41Å; V125-N127 VanDerWaalsContact C-N 3.33Å; V125-N127 PolarHBondContact O-N 2.85Å; N127-R129 VanDerWaalsContact C-N 3.27Å; N127-R129 PolarHBondContact O-N 3.03Å; N127-L130 PolarHBondContact O-N 3.43Å; N127-K131 WeakPolarHBondContact O-CB 3.31Å; N127-K131 VanDerWaalsContact O-CG 3.32Å; N127-K131 WeakPolarHBondContact O-CG 3.36Å; N127-K131 PolarHBondContact O-N 3.24Å |
| 128 | T | 84.9 | Confident | 80.5 | Confident | 8 Ų | 8 | 32.2 Ų | 32.2 | 5% | 0.049 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.3 | -40.5 | 179.7 | -65.6 | 0 | 0 | 0 | 0 | 110.8 | W124 V125 V126 L132 R233 F234 | W124-T128 PolarHBondContact O-N 2.79Å; W124-T128 PolarHBondContact O-OG1 2.74Å; W124-T128 VanDerWaalsContact O-OG1 3.1Å; V125-T128 PolarHBondContact O-N 3.07Å; V126-T128 PolarHBondContact O-N 3.46Å; T128-L132 HydrophobicContact CG2-CD1 3.84Å; T128-L132 WeakPolarHBondContact O-CB 3.34Å; T128-L132 WeakPolarHBondContact O-CG 3.33Å; T128-L132 PolarHBondContact O-N 3.46Å; T128-L132 VanDerWaalsContact O-N 3.15Å; T128-R233 HydrophobicContact CG2-CB 4.09Å; T128-F234 HydrophobicContact CG2-CB 4.35Å |
| 129 | R | 86.1 | Confident | 79.3 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.6 | -42.2 | 178.7 | -70.5 | 173.3 | -178.9 | -130.4 | 7 | 112.9 | V125 V126 N127 L132 Q133 Y147 E161 R233 F234 | V125-R129 WeakPolarHBondContact O-CG 3.36Å; V125-R129 PolarHBondContact O-N 3.49Å; V125-R129 VanDerWaalsContact O-N 3.08Å; V126-R129 PolarHBondContact O-N 3.17Å; N127-R129 VanDerWaalsContact C-N 3.27Å; N127-R129 PolarHBondContact O-N 3.03Å; R129-L132 PolarHBondContact O-N 2.99Å; R129-Q133 PolarHBondContact O-N 3.38Å; R129-Y147 HydrophobicContact CB-CE2 4.05Å; R129-E161 IonicContact CZ-OE1 3.94Å; R129-E161 IonicContact CZ-OE2 3.7Å; R129-E161 VanDerWaalsContact CZ-OE2 3.24Å; R129-E161 IonicContact NH1-OE1 3.37Å; R129-E161 PolarHBondContact NH1-OE1 2.99Å; R129-E161 IonicContact NH1-OE2 2.68Å; R129-E161 PolarHBondContact NH1-OE2 3.39Å; R129-E161 IonicContact NH2-OE1 3.74Å; R129-E161 IonicContact NH2-OE2 3.85Å; R129-E161 PolarHBondContact NH2-OE2 2.93Å; R129-R233 PolarHBondContact NE-O 3.1Å; R129-F234 HydrophobicContact CG-CD2 4.49Å; R129-F234 PolarHBondContact NE-O 3Å |
| 130 | L | 84 | Confident | 77.9 | Confident | 9 Ų | 9 | 31.7 Ų | 31.7 | 5% | 0.047 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.8 | -37.3 | 175.5 | -73 | 172.2 | 0 | 0 | 0 | 112.6 | P71 V126 N127 L132 Q133 Y147 I150 A153 | P71-L130 HydrophobicContact CB-CD1 3.81Å; P71-L130 HydrophobicContact CG-CD1 4.45Å; V126-L130 HydrophobicContact CG1-CD1 3.68Å; V126-L130 HydrophobicContact CG1-CG 4.25Å; V126-L130 WeakPolarHBondContact O-CB 3.32Å; V126-L130 WeakPolarHBondContact O-CG 3.39Å; V126-L130 PolarHBondContact O-N 3.35Å; N127-L130 PolarHBondContact O-N 3.43Å; L130-L132 VanDerWaalsContact C-N 3.32Å; L130-Q133 WeakPolarHBondContact O-CB 3.31Å; L130-Y147 HydrophobicContact CD2-CD2 3.94Å; L130-Y147 HydrophobicContact CD2-CG 4.1Å; L130-I150 HydrophobicContact CD1-CB 4.42Å; L130-I150 HydrophobicContact CD1-CG1 3.79Å; L130-A153 HydrophobicContact CD1-CB 4.43Å; L130-A153 HydrophobicContact CD2-CB 4.07Å; L130-A153 HydrophobicContact CG-CB 4.21Å |
| 131 | K | 81.7 | Confident | 76.8 | Confident | 15 Ų | 15 | 35.9 Ų | 35.9 | 7% | 0.065 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.3 | -38.6 | 173.9 | -77.1 | -177.2 | -176.2 | -174.8 | 0 | 112.6 | D32 L36 V72 N127 | D32-K131 IonicContact OD2-NZ 3.54Å; D32-K131 PolarHBondContact OD2-NZ 2.94Å; L36-K131 HydrophobicContact CD1-CB 4.46Å; L36-K131 HydrophobicContact CD1-CD 3.43Å; L36-K131 VanDerWaalsContact CD1-CD 3.43Å; V72-K131 VanDerWaalsContact CG1-CE 3.43Å; V72-K131 HydrophobicContact CG2-CD 3.82Å; V72-K131 HydrophobicContact CG2-CG 3.43Å; V72-K131 VanDerWaalsContact CG2-CG 3.43Å; N127-K131 WeakPolarHBondContact O-CB 3.31Å; N127-K131 VanDerWaalsContact O-CG 3.32Å; N127-K131 WeakPolarHBondContact O-CG 3.36Å; N127-K131 PolarHBondContact O-N 3.24Å |
| 132 | L | 81.8 | Confident | 75.9 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -88.7 | -13.5 | -175.3 | -73.2 | 174.2 | 0 | 0 | 0 | 112.7 | L36 R37 V40 T128 R129 L130 G134 S135 F137 F234 | L36-L132 HydrophobicContact CB-CD2 4.29Å; R37-L132 HydrophobicContact CG-CD2 4.11Å; V40-L132 HydrophobicContact CB-CD1 4.22Å; V40-L132 HydrophobicContact CG1-CD1 4.24Å; V40-L132 HydrophobicContact CG2-CD1 3.72Å; T128-L132 HydrophobicContact CG2-CD1 3.84Å; T128-L132 WeakPolarHBondContact O-CB 3.34Å; T128-L132 WeakPolarHBondContact O-CG 3.33Å; T128-L132 PolarHBondContact O-N 3.46Å; T128-L132 VanDerWaalsContact O-N 3.15Å; R129-L132 PolarHBondContact O-N 2.99Å; L130-L132 VanDerWaalsContact C-N 3.32Å; L132-G134 PolarHBondContact O-N 3.4Å; L132-S135 VanDerWaalsContact O-CB 3.29Å; L132-S135 WeakPolarHBondContact O-CB 3.46Å; L132-S135 PolarHBondContact O-N 2.92Å; L132-S135 PolarHBondContact O-OG 3.19Å; L132-F137 HydrophobicContact CB-CZ 3.95Å; L132-F137 HydrophobicContact CD2-CE1 4.24Å; L132-F137 HydrophobicContact CD2-CZ 4.01Å; L132-F137 HydrophobicContact CG-CZ 4.46Å; L132-F137 WeakPolarHBondContact O-CE2 3.48Å; L132-F234 HydrophobicContact CB-CD2 3.82Å; L132-F234 HydrophobicContact CB-CE2 3.61Å; L132-F234 HydrophobicContact CD1-CB 4.05Å; L132-F234 HydrophobicContact CD1-CD2 3.36Å; L132-F234 HydrophobicContact CD1-CE2 3.94Å; L132-F234 HydrophobicContact CD1-CG 3.81Å; L132-F234 HydrophobicContact CG-CD2 4.24Å; L132-F234 HydrophobicContact CG-CE2 4.42Å |
| 133 | Q | 77.2 | Confident | 74.8 | Confident | 24 Ų | 24 | 45.9 Ų | 45.9 | 11% | 0.112 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 133.8 | 176.6 | -171.6 | -173.2 | -30.5 | 0 | 0 | 112 | R67 R129 L130 S135 T145 N146 Y147 | R67-Q133 VanDerWaalsContact CD-O 3.3Å; R67-Q133 WeakPolarHBondContact CD-O 3.27Å; R67-Q133 PolarHBondContact NE-O 2.96Å; R129-Q133 PolarHBondContact O-N 3.38Å; L130-Q133 WeakPolarHBondContact O-CB 3.31Å; Q133-S135 PolarHBondContact O-N 3.1Å; Q133-S135 VanDerWaalsContact O-N 3.15Å; Q133-T145 WeakPolarHBondContact CG-O 3.29Å; Q133-N146 PolarHBondContact NE2-OD1 3.39Å; Q133-N146 VanDerWaalsContact NE2-OD1 3.11Å; Q133-Y147 HydrophobicContact CB-CD2 4.5Å; Q133-Y147 VanDerWaalsContact CD-N 3.3Å; Q133-Y147 HydrophobicContact CG-CD2 4.27Å; Q133-Y147 PolarHBondContact NE2-O 3.43Å; Q133-Y147 VanDerWaalsContact OE1-CD2 3.29Å; Q133-Y147 PolarHBondContact OE1-O 2.8Å |
| 134 | G | 69 | Low | 73.8 | Confident | 31 Ų | 31 | 49.8 Ų | 49.8 | 32% | 0.32 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 5.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R67 L132 | R67-G134 VanDerWaalsContact NH1-C 3.3Å; R67-G134 PolarHBondContact NH1-O 2.63Å; L132-G134 PolarHBondContact O-N 3.4Å |
| 135 | S | 72.8 | Confident | 73.1 | Confident | 12 Ų | 12 | 47.2 Ų | 47.2 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | trans | -71 | 138.6 | 168.4 | -52.3 | 0 | 0 | 0 | 0 | 109.2 | R37 E60 L132 Q133 F137 | R37-S135 VanDerWaalsContact CZ-OG 3.29Å; R37-S135 PolarHBondContact NE-OG 3.34Å; R37-S135 PolarHBondContact NH2-OG 2.99Å; R37-S135 VanDerWaalsContact NH2-OG 3.14Å; E60-S135 WeakPolarHBondContact OE1-CA 3.46Å; L132-S135 VanDerWaalsContact O-CB 3.29Å; L132-S135 WeakPolarHBondContact O-CB 3.46Å; L132-S135 PolarHBondContact O-N 2.92Å; L132-S135 PolarHBondContact O-OG 3.19Å; Q133-S135 PolarHBondContact O-N 3.1Å; Q133-S135 VanDerWaalsContact O-N 3.15Å; S135-F137 WeakPolarHBondContact O-CD2 3.37Å; S135-F137 WeakPolarHBondContact O-CE2 3.41Å; S135-F137 PolarHBondContact O-N 3.08Å | ||
| 136 | K | 65.6 | Low | 72.6 | Confident | 123 Ų | 123 | 53.3 Ų | 53.3 | 54% | 0.535 | 28% | 0.282 | S | S | . | . | trans | -78.4 | 105 | 172.2 | -71.6 | 179.1 | 178.2 | 170.6 | 0 | 108.6 | E59 E60 | E59-K136 HydrophobicContact CB-CD 4.37Å; E59-K136 PolarHBondContact O-NZ 2.89Å; E60-K136 HydrophobicContact CG-CD 4.27Å; E60-K136 HydrophobicContact CG-CG 4.27Å; E60-K136 PolarHBondContact OE1-N 3.27Å | ||
| 137 | F | 72.3 | Confident | 72.3 | Confident | 42 Ų | 42 | 53.9 Ų | 53.9 | 18% | 0.184 | 28% | 0.284 | C | S | . | . | trans | -89.1 | 138.2 | 176.3 | -65.1 | -79.5 | 0 | 0 | 0 | 110.3 | V40 D41 L132 S135 N139 I142 F234 | V40-F137 HydrophobicContact CG1-CE1 4.11Å; D41-F137 HydrophobicContact CB-CD1 4.02Å; L132-F137 HydrophobicContact CB-CZ 3.95Å; L132-F137 HydrophobicContact CD2-CE1 4.24Å; L132-F137 HydrophobicContact CD2-CZ 4.01Å; L132-F137 HydrophobicContact CG-CZ 4.46Å; L132-F137 WeakPolarHBondContact O-CE2 3.48Å; S135-F137 WeakPolarHBondContact O-CD2 3.37Å; S135-F137 WeakPolarHBondContact O-CE2 3.41Å; S135-F137 PolarHBondContact O-N 3.08Å; F137-N139 PolarHBondContact O-N 3.48Å; F137-I142 HydrophobicContact CB-CB 4Å; F137-I142 HydrophobicContact CB-CD1 3.92Å; F137-I142 HydrophobicContact CB-CG2 3.94Å; F137-I142 HydrophobicContact CD1-CD1 3.7Å; F137-I142 HydrophobicContact CD1-CG2 4.34Å; F137-I142 HydrophobicContact CD2-CB 4.31Å; F137-I142 HydrophobicContact CD2-CG2 3.32Å; F137-I142 HydrophobicContact CE1-CD1 4.37Å; F137-I142 HydrophobicContact CE2-CG2 3.85Å; F137-I142 HydrophobicContact CG-CB 4.17Å; F137-I142 HydrophobicContact CG-CD1 3.79Å; F137-I142 HydrophobicContact CG-CG2 3.6Å; F137-F234 HydrophobicContact CE2-CZ 4.03Å; F137-F234 HydrophobicContact CZ-CE2 4.31Å; F137-F234 AromaticContact CZ-CZ 3.98Å; F137-F234 HydrophobicContact CZ-CZ 3.98Å | ||
| 138 | H | 61.1 | Low | 71.8 | Confident | 98 Ų | 98 | 59.2 Ų | 59.2 | 45% | 0.454 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -86.6 | 8.9 | 174.1 | -66.1 | 76.7 | 0 | 0 | 0 | 112.5 | D41 N43 E59 | D41-H138 IonicContact OD2-CG 3.15Å; D41-H138 PolarHBondContact OD2-N 2.86Å; D41-H138 IonicContact OD2-ND1 2.7Å; D41-H138 PolarHBondContact OD2-ND1 3.27Å; N43-H138 HydrophobicContact CB-CB 4.26Å; E59-H138 IonicContact OE1-CE1 3.93Å; E59-H138 IonicContact OE2-CE1 2.8Å |
| 139 | N | 59.9 | Low | 71.6 | Confident | 29 Ų | 29 | 60 Ų | 60 | 16% | 0.155 | 33% | 0.332 | C | S | . | . | trans | -103 | 116.6 | 176.7 | -163.9 | -6.5 | 0 | 0 | 0 | 109.1 | F137 D141 I142 | F137-N139 PolarHBondContact O-N 3.48Å; N139-D141 PolarHBondContact O-N 2.95Å; N139-D141 VanDerWaalsContact O-N 3.13Å; N139-I142 HydrophobicContact CB-CD1 3.8Å; N139-I142 HydrophobicContact CB-CG1 3.99Å; N139-I142 PolarHBondContact O-N 3.48Å; N139-I142 VanDerWaalsContact O-N 3.16Å | ||
| 140 | S | 54.8 | Low | 71.5 | Confident | 114 Ų | 114 | 62 Ų | 62 | 80% | 0.797 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19.9 | -177.3 | 47.6 | 0 | 0 | 0 | 0 | 113.6 | I142 | S140-I142 VanDerWaalsContact C-N 3.33Š|
| 141 | D | 60.6 | Low | 71.6 | Confident | 98 Ų | 98 | 68.8 Ų | 68.8 | 52% | 0.524 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -12.9 | -177.9 | -57.8 | -24.2 | 0 | 0 | 0 | 112.8 | N139 | N139-D141 PolarHBondContact O-N 2.95Å; N139-D141 VanDerWaalsContact O-N 3.13Å |
| 142 | I | 65.6 | Low | 71.8 | Confident | 22 Ų | 22 | 70.7 Ų | 70.7 | 11% | 0.113 | 39% | 0.389 | C | S | . | . | trans | -88.8 | 113.8 | -176.5 | -63.6 | -178.9 | 0 | 0 | 0 | 109.7 | V40 F137 N139 S140 F234 Q236 | V40-I142 HydrophobicContact CG1-CD1 4.28Å; F137-I142 HydrophobicContact CB-CB 4Å; F137-I142 HydrophobicContact CB-CD1 3.92Å; F137-I142 HydrophobicContact CB-CG2 3.94Å; F137-I142 HydrophobicContact CD1-CD1 3.7Å; F137-I142 HydrophobicContact CD1-CG2 4.34Å; F137-I142 HydrophobicContact CD2-CB 4.31Å; F137-I142 HydrophobicContact CD2-CG2 3.32Å; F137-I142 HydrophobicContact CE1-CD1 4.37Å; F137-I142 HydrophobicContact CE2-CG2 3.85Å; F137-I142 HydrophobicContact CG-CB 4.17Å; F137-I142 HydrophobicContact CG-CD1 3.79Å; F137-I142 HydrophobicContact CG-CG2 3.6Å; N139-I142 HydrophobicContact CB-CD1 3.8Å; N139-I142 HydrophobicContact CB-CG1 3.99Å; N139-I142 PolarHBondContact O-N 3.48Å; N139-I142 VanDerWaalsContact O-N 3.16Å; S140-I142 VanDerWaalsContact C-N 3.33Å; I142-F234 HydrophobicContact CD1-CE1 3.98Å; I142-F234 HydrophobicContact CG1-CE1 4.14Å; I142-F234 HydrophobicContact CG2-CE1 3.7Å; I142-F234 HydrophobicContact CG2-CZ 3.65Å; I142-Q236 VanDerWaalsContact CA-OE1 3.32Å | ||
| 143 | R | 64.4 | Low | 71.9 | Confident | 203 Ų | 203 | 70.6 Ų | 70.6 | 77% | 0.766 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -84.4 | 131.2 | 178.4 | -65.9 | -173.7 | -179.5 | -171.5 | 0.2 | 110.8 | T145 Q236 | R143-T145 PolarHBondContact O-N 2.87Å; R143-Q236 PolarHBondContact O-NE2 2.97Å; R143-Q236 PolarHBondContact O-OE1 3.28Å; R143-Q236 VanDerWaalsContact O-OE1 3.12Å |
| 144 | P | 65.3 | Low | 72.4 | Confident | 124 Ų | 124 | 73.9 Ų | 73.9 | 81% | 0.805 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -61 | 127.7 | 174 | 25.2 | -32 | 0 | 0 | 0 | 109.4 | ||
| 145 | T | 69.9 | Low | 73.3 | Confident | 29 Ų | 29 | 79.4 Ų | 79.4 | 18% | 0.178 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -103.4 | 149 | 174.2 | 45 | 0 | 0 | 0 | 0 | 109.4 | Q133 R143 Y147 | Q133-T145 WeakPolarHBondContact CG-O 3.29Å; R143-T145 PolarHBondContact O-N 2.87Å; T145-Y147 HydrophobicContact CG2-CE2 4.21Å; T145-Y147 WeakPolarHBondContact CG2-OH 3.32Å; T145-Y147 WeakPolarHBondContact OG1-CE2 3.43Å |
| 146 | N | 76.6 | Confident | 74 | Confident | 128 Ų | 128 | 80.5 Ų | 80.5 | 68% | 0.684 | 42% | 0.421 | S | S | * | . | trans | -129.4 | 107.5 | 172.8 | -163.6 | 25 | 0 | 0 | 0 | 108.9 | Q133 Q156 | Q133-N146 PolarHBondContact NE2-OD1 3.39Å; Q133-N146 VanDerWaalsContact NE2-OD1 3.11Å; N146-Q156 PolarHBondContact O-NE2 3.4Å | ||
| 147 | Y | 80.1 | Confident | 74.9 | Confident | 13 Ų | 13 | 74.6 Ų | 74.6 | 5% | 0.051 | 40% | 0.396 | C | S | . | . | trans | -110.4 | 135.1 | 174 | -49.7 | -68.6 | 0 | 0 | 0 | 108.7 | R129 L130 Q133 T145 G149 D152 A153 Q156 | R129-Y147 HydrophobicContact CB-CE2 4.05Å; L130-Y147 HydrophobicContact CD2-CD2 3.94Å; L130-Y147 HydrophobicContact CD2-CG 4.1Å; Q133-Y147 HydrophobicContact CB-CD2 4.5Å; Q133-Y147 VanDerWaalsContact CD-N 3.3Å; Q133-Y147 HydrophobicContact CG-CD2 4.27Å; Q133-Y147 PolarHBondContact NE2-O 3.43Å; Q133-Y147 VanDerWaalsContact OE1-CD2 3.29Å; Q133-Y147 PolarHBondContact OE1-O 2.8Å; T145-Y147 HydrophobicContact CG2-CE2 4.21Å; T145-Y147 WeakPolarHBondContact CG2-OH 3.32Å; T145-Y147 WeakPolarHBondContact OG1-CE2 3.43Å; Y147-G149 VanDerWaalsContact C-N 3.29Å; Y147-D152 WeakPolarHBondContact CA-OD2 3.47Å; Y147-A153 VanDerWaalsContact CD1-CA 3.4Å; Y147-A153 HydrophobicContact CD1-CB 3.71Å; Y147-A153 HydrophobicContact CD2-CB 4.24Å; Y147-A153 HydrophobicContact CE1-CB 4.19Å; Y147-A153 HydrophobicContact CG-CB 3.7Å; Y147-Q156 HydrophobicContact CD1-CB 4.18Å; Y147-Q156 HydrophobicContact CD1-CG 4.45Å; Y147-Q156 HydrophobicContact CE1-CB 3.88Å | ||
| 148 | S | 74.9 | Confident | 75.6 | Confident | 117 Ų | 117 | 74.9 Ų | 74.9 | 82% | 0.818 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -80 | -12.5 | 175.5 | -174.8 | 0 | 0 | 0 | 0 | 112.8 | D152 | S148-D152 PolarHBondContact N-OD2 2.92Š|
| 149 | G | 80.6 | Confident | 76.8 | Confident | 25 Ų | 25 | 80.6 Ų | 80.6 | 26% | 0.258 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 167.9 | -173.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y147 D152 A153 | Y147-G149 VanDerWaalsContact C-N 3.29Å; G149-D152 PolarHBondContact O-N 3.23Å; G149-A153 WeakPolarHBondContact O-CB 3.24Å; G149-A153 PolarHBondContact O-N 2.78Å |
| 150 | I | 83.8 | Confident | 78 | Confident | 45 Ų | 45 | 86.3 Ų | 86.3 | 23% | 0.231 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.8 | -46.7 | -176.9 | -60.8 | 170.6 | 0 | 0 | 0 | 111.9 | P71 C74 V126 L130 A153 F154 | P71-I150 HydrophobicContact CB-CD1 4.3Å; P71-I150 HydrophobicContact CB-CG1 4.09Å; C74-I150 HydrophobicContact CB-CD1 4.2Å; V126-I150 HydrophobicContact CG1-CG2 3.97Å; L130-I150 HydrophobicContact CD1-CB 4.42Å; L130-I150 HydrophobicContact CD1-CG1 3.79Å; I150-A153 PolarHBondContact O-N 3.04Å; I150-F154 PolarHBondContact O-N 3.3Å |
| 151 | L | 85.3 | Confident | 79.2 | Confident | 151 Ų | 151 | 84.6 Ų | 84.6 | 79% | 0.791 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -68.5 | -40.2 | -178.5 | -65.8 | 176.1 | 0 | 0 | 0 | 112.3 | F154 K155 | L151-F154 PolarHBondContact O-N 3.38Å; L151-K155 WeakPolarHBondContact O-CB 3.39Å; L151-K155 PolarHBondContact O-N 3.49Å |
| 152 | D | 85.9 | Confident | 80.3 | Confident | 54 Ų | 54 | 81.4 Ų | 81.4 | 29% | 0.289 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 175.7 | 179.9 | 44.3 | 0 | 0 | 0 | 110.9 | Y147 S148 G149 F154 K155 Q156 | Y147-D152 WeakPolarHBondContact CA-OD2 3.47Å; S148-D152 PolarHBondContact N-OD2 2.92Å; G149-D152 PolarHBondContact O-N 3.23Å; D152-F154 PolarHBondContact O-N 2.84Å; D152-K155 PolarHBondContact O-N 3.42Å; D152-Q156 WeakPolarHBondContact O-CB 3.3Å; D152-Q156 WeakPolarHBondContact O-CG 3.16Å; D152-Q156 PolarHBondContact O-N 3.45Å; D152-Q156 PolarHBondContact OD1-NE2 2.95Å; D152-Q156 PolarHBondContact OD2-NE2 3.43Å |
| 153 | A | 85.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -57.8 | -46.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V126 L130 Y147 G149 I150 K155 Q156 I157 | V126-A153 HydrophobicContact CG1-CB 3.77Å; L130-A153 HydrophobicContact CD1-CB 4.43Å; L130-A153 HydrophobicContact CD2-CB 4.07Å; L130-A153 HydrophobicContact CG-CB 4.21Å; Y147-A153 VanDerWaalsContact CD1-CA 3.4Å; Y147-A153 HydrophobicContact CD1-CB 3.71Å; Y147-A153 HydrophobicContact CD2-CB 4.24Å; Y147-A153 HydrophobicContact CE1-CB 4.19Å; Y147-A153 HydrophobicContact CG-CB 3.7Å; G149-A153 WeakPolarHBondContact O-CB 3.24Å; G149-A153 PolarHBondContact O-N 2.78Å; I150-A153 PolarHBondContact O-N 3.04Å; A153-K155 PolarHBondContact O-N 3.24Å; A153-Q156 PolarHBondContact O-N 2.86Å; A153-I157 WeakPolarHBondContact O-CB 3.33Å; A153-I157 VanDerWaalsContact O-CD1 3.29Å; A153-I157 WeakPolarHBondContact O-CD1 3.43Å; A153-I157 WeakPolarHBondContact O-CG1 3.3Å; A153-I157 PolarHBondContact O-N 2.72Å |
| 154 | F | 87.3 | Confident | 82 | Confident | 94 Ų | 94 | 77.3 Ų | 77.3 | 41% | 0.412 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58 | -49.1 | 177.1 | -167.7 | -91.8 | 0 | 0 | 0 | 111.9 | P122 V126 I150 L151 D152 Q156 I157 V158 L166 | P122-F154 HydrophobicContact CB-CE2 4.31Å; V126-F154 HydrophobicContact CG2-CB 4.42Å; V126-F154 HydrophobicContact CG2-CD2 4.16Å; I150-F154 PolarHBondContact O-N 3.3Å; L151-F154 PolarHBondContact O-N 3.38Å; D152-F154 PolarHBondContact O-N 2.84Å; F154-Q156 PolarHBondContact O-N 3.46Å; F154-I157 PolarHBondContact O-N 2.92Å; F154-V158 HydrophobicContact CD1-CG2 4.35Å; F154-V158 HydrophobicContact CE1-CG2 4.13Å; F154-V158 WeakPolarHBondContact O-CG2 3.32Å; F154-V158 PolarHBondContact O-N 3.43Å; F154-V158 VanDerWaalsContact O-N 3.11Å; F154-L166 HydrophobicContact CD2-CD1 4.15Å; F154-L166 HydrophobicContact CD2-CD2 3.81Å; F154-L166 HydrophobicContact CE1-CD1 4.23Å; F154-L166 HydrophobicContact CE2-CD1 3.39Å; F154-L166 HydrophobicContact CE2-CD2 3.78Å; F154-L166 HydrophobicContact CE2-CG 4.23Å; F154-L166 HydrophobicContact CZ-CD1 3.43Å; F154-L166 VanDerWaalsContact CZ-CD1 3.43Å |
| 155 | K | 88 | Confident | 82.8 | Confident | 147 Ų | 147 | 71.7 Ų | 71.7 | 64% | 0.639 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63 | -42.9 | 179.7 | -171 | 177.2 | -176.7 | 177.9 | 0 | 112.1 | L151 D152 A153 R159 | L151-K155 WeakPolarHBondContact O-CB 3.39Å; L151-K155 PolarHBondContact O-N 3.49Å; D152-K155 PolarHBondContact O-N 3.42Å; A153-K155 PolarHBondContact O-N 3.24Å; K155-R159 VanDerWaalsContact O-CB 3.29Å; K155-R159 WeakPolarHBondContact O-CB 3.28Å; K155-R159 PolarHBondContact O-N 2.9Å |
| 156 | Q | 85.9 | Confident | 83.6 | Confident | 34 Ų | 34 | 70.4 Ų | 70.4 | 16% | 0.159 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 179.5 | -75.3 | -165.1 | 56.2 | 0 | 0 | 112.3 | N146 Y147 D152 A153 F154 R159 K160 | N146-Q156 PolarHBondContact O-NE2 3.4Å; Y147-Q156 HydrophobicContact CD1-CB 4.18Å; Y147-Q156 HydrophobicContact CD1-CG 4.45Å; Y147-Q156 HydrophobicContact CE1-CB 3.88Å; D152-Q156 WeakPolarHBondContact O-CB 3.3Å; D152-Q156 WeakPolarHBondContact O-CG 3.16Å; D152-Q156 PolarHBondContact O-N 3.45Å; D152-Q156 PolarHBondContact OD1-NE2 2.95Å; D152-Q156 PolarHBondContact OD2-NE2 3.43Å; A153-Q156 PolarHBondContact O-N 2.86Å; F154-Q156 PolarHBondContact O-N 3.46Å; Q156-R159 PolarHBondContact O-N 3.47Å; Q156-K160 VanDerWaalsContact O-CB 3.29Å; Q156-K160 WeakPolarHBondContact O-CB 3.38Å; Q156-K160 WeakPolarHBondContact O-CG 3.27Å; Q156-K160 PolarHBondContact O-N 2.91Å |
| 157 | I | 85.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62 | -50.7 | 177.6 | -66.2 | 161.6 | 0 | 0 | 0 | 109.9 | V125 V126 A153 F154 R159 K160 E161 G162 A165 L166 | V125-I157 HydrophobicContact CG1-CD1 4.46Å; V126-I157 HydrophobicContact CG2-CD1 3.88Å; A153-I157 WeakPolarHBondContact O-CB 3.33Å; A153-I157 VanDerWaalsContact O-CD1 3.29Å; A153-I157 WeakPolarHBondContact O-CD1 3.43Å; A153-I157 WeakPolarHBondContact O-CG1 3.3Å; A153-I157 PolarHBondContact O-N 2.72Å; F154-I157 PolarHBondContact O-N 2.92Å; I157-R159 VanDerWaalsContact C-N 3.3Å; I157-R159 PolarHBondContact O-N 2.92Å; I157-K160 PolarHBondContact O-N 3.14Å; I157-E161 WeakPolarHBondContact O-CB 3.23Å; I157-E161 PolarHBondContact O-N 3.5Å; I157-G162 PolarHBondContact O-N 3.39Å; I157-A165 HydrophobicContact CG2-CB 3.9Å; I157-L166 HydrophobicContact CB-CD2 4.38Å; I157-L166 HydrophobicContact CD1-CD2 4.43Å; I157-L166 HydrophobicContact CG2-CD2 3.94Å; I157-L166 HydrophobicContact CG2-CG 4.28Å |
| 158 | V | 87.4 | Confident | 84.2 | Confident | 47 Ų | 47 | 70.8 Ų | 70.8 | 29% | 0.285 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 179.6 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | F154 G162 V163 L166 | F154-V158 HydrophobicContact CD1-CG2 4.35Å; F154-V158 HydrophobicContact CE1-CG2 4.13Å; F154-V158 WeakPolarHBondContact O-CG2 3.32Å; F154-V158 PolarHBondContact O-N 3.43Å; F154-V158 VanDerWaalsContact O-N 3.11Å; V158-G162 WeakPolarHBondContact O-CA 3.45Å; V158-G162 PolarHBondContact O-N 3.46Å; V158-G162 VanDerWaalsContact O-N 3.15Å; V158-V163 HydrophobicContact CG1-CG2 3.9Å; V158-L166 HydrophobicContact CG2-CD1 3.62Å; V158-L166 HydrophobicContact CG2-CG 4.27Å |
| 159 | R | 85.8 | Confident | 84.5 | Confident | 218 Ų | 218 | 65.5 Ų | 65.5 | 82% | 0.823 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -73.5 | -36.6 | -178 | -172.1 | 176.9 | 179.1 | -179.8 | 1.4 | 113.5 | K155 Q156 I157 | K155-R159 VanDerWaalsContact O-CB 3.29Å; K155-R159 WeakPolarHBondContact O-CB 3.28Å; K155-R159 PolarHBondContact O-N 2.9Å; Q156-R159 PolarHBondContact O-N 3.47Å; I157-R159 VanDerWaalsContact C-N 3.3Å; I157-R159 PolarHBondContact O-N 2.92Å |
| 160 | K | 84.1 | Confident | 84.8 | Confident | 149 Ų | 149 | 65.2 Ų | 65.2 | 65% | 0.648 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -92.3 | -34.7 | -173.7 | -69 | 175.6 | 175.2 | 170.9 | 0 | 113.3 | Q156 I157 | Q156-K160 VanDerWaalsContact O-CB 3.29Å; Q156-K160 WeakPolarHBondContact O-CB 3.38Å; Q156-K160 WeakPolarHBondContact O-CG 3.27Å; Q156-K160 PolarHBondContact O-N 2.91Å; I157-K160 PolarHBondContact O-N 3.14Å |
| 161 | E | 81.1 | Confident | 84.9 | Confident | 79 Ų | 79 | 64.9 Ų | 64.9 | 37% | 0.369 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -121.8 | -7.8 | -170.3 | -62 | 171.6 | -144.2 | 0 | 0 | 112.8 | R129 I157 A165 | R129-E161 IonicContact CZ-OE1 3.94Å; R129-E161 IonicContact CZ-OE2 3.7Å; R129-E161 VanDerWaalsContact CZ-OE2 3.24Å; R129-E161 IonicContact NH1-OE1 3.37Å; R129-E161 PolarHBondContact NH1-OE1 2.99Å; R129-E161 IonicContact NH1-OE2 2.68Å; R129-E161 PolarHBondContact NH1-OE2 3.39Å; R129-E161 IonicContact NH2-OE1 3.74Å; R129-E161 IonicContact NH2-OE2 3.85Å; R129-E161 PolarHBondContact NH2-OE2 2.93Å; I157-E161 WeakPolarHBondContact O-CB 3.23Å; I157-E161 PolarHBondContact O-N 3.5Å; E161-A165 HydrophobicContact CB-CB 3.63Å |
| 162 | G | 83.8 | Confident | 84.9 | Confident | 30 Ų | 30 | 57.8 Ų | 57.8 | 31% | 0.309 | 29% | 0.289 | S | S | . | . | trans | 88.4 | 169.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I157 V158 G164 A165 | I157-G162 PolarHBondContact O-N 3.39Å; V158-G162 WeakPolarHBondContact O-CA 3.45Å; V158-G162 PolarHBondContact O-N 3.46Å; V158-G162 VanDerWaalsContact O-N 3.15Å; G162-G164 VanDerWaalsContact C-N 3.29Å; G162-G164 PolarHBondContact O-N 3.39Å; G162-A165 WeakPolarHBondContact O-CB 3.47Å; G162-A165 PolarHBondContact O-N 3.35Å | ||
| 163 | V | 84.7 | Confident | 84.9 | Confident | 87 Ų | 87 | 55.8 Ų | 55.8 | 53% | 0.527 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -63 | -36 | -177.7 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | V158 A165 L166 W167 | V158-V163 HydrophobicContact CG1-CG2 3.9Å; V163-A165 PolarHBondContact O-N 3.47Å; V163-L166 WeakPolarHBondContact O-CB 3.29Å; V163-L166 PolarHBondContact O-N 3.39Å; V163-W167 HydrophobicContact CG1-CH2 4.4Å; V163-W167 HydrophobicContact CG1-CZ3 3.65Å; V163-W167 VanDerWaalsContact O-CE3 3.27Å; V163-W167 VanDerWaalsContact O-CZ3 3.31Å; V163-W167 WeakPolarHBondContact O-CZ3 3.19Å |
| 164 | G | 81 | Confident | 85 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 54% | 0.536 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -61.1 | -27.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G162 L166 W167 | G162-G164 VanDerWaalsContact C-N 3.29Å; G162-G164 PolarHBondContact O-N 3.39Å; G164-L166 PolarHBondContact O-N 3.13Å; G164-W167 PolarHBondContact O-N 2.86Å |
| 165 | A | 82.3 | Confident | 85 | Confident | 6 Ų | 6 | 57 Ų | 57 | 5% | 0.05 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -63.5 | -24.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I157 E161 G162 V163 W167 N168 | I157-A165 HydrophobicContact CG2-CB 3.9Å; E161-A165 HydrophobicContact CB-CB 3.63Å; G162-A165 WeakPolarHBondContact O-CB 3.47Å; G162-A165 PolarHBondContact O-N 3.35Å; V163-A165 PolarHBondContact O-N 3.47Å; A165-W167 PolarHBondContact O-N 3.26Å; A165-N168 WeakPolarHBondContact O-CB 3.22Å; A165-N168 VanDerWaalsContact O-CG 3.31Å; A165-N168 PolarHBondContact O-N 3.47Å |
| 166 | L | 85.1 | Confident | 85 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -67.4 | -20.5 | 174.8 | -67.9 | 171.7 | 0 | 0 | 0 | 113.1 | T121 P122 V125 V126 F154 I157 V158 V163 G164 | T121-L166 CarbonylContact C-O 3.55Å; P122-L166 VanDerWaalsContact CA-O 3.29Å; P122-L166 WeakPolarHBondContact CA-O 3.03Å; P122-L166 HydrophobicContact CB-CB 4.02Å; P122-L166 HydrophobicContact CB-CD2 4.41Å; P122-L166 HydrophobicContact CG-CB 4.21Å; V125-L166 VanDerWaalsContact CG2-O 3.27Å; V125-L166 WeakPolarHBondContact CG2-O 3.18Å; V126-L166 HydrophobicContact CG2-CD2 4.34Å; F154-L166 HydrophobicContact CD2-CD1 4.15Å; F154-L166 HydrophobicContact CD2-CD2 3.81Å; F154-L166 HydrophobicContact CE1-CD1 4.23Å; F154-L166 HydrophobicContact CE2-CD1 3.39Å; F154-L166 HydrophobicContact CE2-CD2 3.78Å; F154-L166 HydrophobicContact CE2-CG 4.23Å; F154-L166 HydrophobicContact CZ-CD1 3.43Å; F154-L166 VanDerWaalsContact CZ-CD1 3.43Å; I157-L166 HydrophobicContact CB-CD2 4.38Å; I157-L166 HydrophobicContact CD1-CD2 4.43Å; I157-L166 HydrophobicContact CG2-CD2 3.94Å; I157-L166 HydrophobicContact CG2-CG 4.28Å; V158-L166 HydrophobicContact CG2-CD1 3.62Å; V158-L166 HydrophobicContact CG2-CG 4.27Å; V163-L166 WeakPolarHBondContact O-CB 3.29Å; V163-L166 PolarHBondContact O-N 3.39Å; G164-L166 PolarHBondContact O-N 3.13Å |
| 167 | W | 87.1 | Confident | 84.9 | Confident | 98 Ų | 98 | 53.4 Ų | 53.4 | 37% | 0.371 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -101.8 | 12.3 | 176.9 | -75.1 | -86.5 | 0 | 0 | 0 | 112.8 | L118 P122 V163 G164 A165 G169 T170 | L118-W167 PolarHBondContact O-NE1 2.89Å; P122-W167 HydrophobicContact CG-CD2 4.28Å; P122-W167 HydrophobicContact CG-CH2 4.3Å; P122-W167 HydrophobicContact CG-CZ2 3.78Å; V163-W167 HydrophobicContact CG1-CH2 4.4Å; V163-W167 HydrophobicContact CG1-CZ3 3.65Å; V163-W167 VanDerWaalsContact O-CE3 3.27Å; V163-W167 VanDerWaalsContact O-CZ3 3.31Å; V163-W167 WeakPolarHBondContact O-CZ3 3.19Å; G164-W167 PolarHBondContact O-N 2.86Å; A165-W167 PolarHBondContact O-N 3.26Å; W167-G169 PolarHBondContact O-N 3.48Å; W167-T170 WeakPolarHBondContact CA-OG1 3.45Å; W167-T170 WeakPolarHBondContact CB-OG1 3.48Å; W167-T170 WeakPolarHBondContact O-CB 3.21Å; W167-T170 PolarHBondContact O-N 2.9Å; W167-T170 PolarHBondContact O-OG1 3.44Å |
| 168 | N | 83.4 | Confident | 85 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 126.7 | 174.5 | -74.1 | -7.2 | 0 | 0 | 0 | 110.7 | V125 A165 L232 R233 | V125-N168 WeakPolarHBondContact CG2-O 3.22Å; A165-N168 WeakPolarHBondContact O-CB 3.22Å; A165-N168 VanDerWaalsContact O-CG 3.31Å; A165-N168 PolarHBondContact O-N 3.47Å; N168-L232 VanDerWaalsContact CB-O 3.27Å; N168-L232 WeakPolarHBondContact CB-O 3.2Å; N168-R233 WeakPolarHBondContact O-CG 3.27Å |
| 169 | G | 81.8 | Confident | 85.1 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 6% | 0.062 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 8.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | W167 F171 P172 S173 | W167-G169 PolarHBondContact O-N 3.48Å; G169-F171 VanDerWaalsContact C-N 3.34Å; G169-F171 PolarHBondContact O-N 3.29Å; G169-P172 VanDerWaalsContact O-CD 3.31Å; G169-P172 WeakPolarHBondContact O-CD 3.44Å; G169-P172 VanDerWaalsContact O-CG 3.29Å; G169-P172 WeakPolarHBondContact O-CG 3.43Å; G169-S173 WeakPolarHBondContact O-CB 3.44Å; G169-S173 PolarHBondContact O-N 2.91Å; G169-S173 VanDerWaalsContact O-N 3.08Å; G169-S173 PolarHBondContact O-OG 3.24Å |
| 170 | T | 85.8 | Confident | 85.3 | Confident | 19 Ų | 19 | 50 Ų | 50 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57 | -47.8 | 172.2 | -61 | 0 | 0 | 0 | 0 | 111.2 | V117 L118 T121 W167 S173 L174 | V117-T170 HydrophobicContact CG1-CG2 4.12Å; L118-T170 HydrophobicContact CD2-CG2 4Å; T121-T170 WeakPolarHBondContact CG2-OG1 3.28Å; W167-T170 WeakPolarHBondContact CA-OG1 3.45Å; W167-T170 WeakPolarHBondContact CB-OG1 3.48Å; W167-T170 WeakPolarHBondContact O-CB 3.21Å; W167-T170 PolarHBondContact O-N 2.9Å; W167-T170 PolarHBondContact O-OG1 3.44Å; T170-S173 WeakPolarHBondContact O-CA 3.49Å; T170-S173 VanDerWaalsContact O-CB 3.31Å; T170-S173 WeakPolarHBondContact O-CB 3.29Å; T170-S173 PolarHBondContact O-N 2.85Å; T170-S173 VanDerWaalsContact O-N 3.1Å; T170-L174 HydrophobicContact CG2-CD1 4.23Å; T170-L174 HydrophobicContact CG2-CG 4.45Å; T170-L174 WeakPolarHBondContact O-CG 3.28Å; T170-L174 PolarHBondContact O-N 2.91Å |
| 171 | F | 86.1 | Confident | 85.5 | Confident | 39 Ų | 39 | 45.8 Ų | 45.8 | 17% | 0.171 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60 | -52.3 | -177.6 | -173.2 | -98.8 | 0 | 0 | 0 | 114 | G169 S173 L174 L175 L246 L250 L253 | G169-F171 VanDerWaalsContact C-N 3.34Å; G169-F171 PolarHBondContact O-N 3.29Å; F171-S173 PolarHBondContact O-N 3.18Å; F171-L174 PolarHBondContact O-N 2.98Å; F171-L175 HydrophobicContact CD1-CD1 4.35Å; F171-L175 HydrophobicContact CE1-CD1 3.69Å; F171-L175 HydrophobicContact CE1-CG 4.3Å; F171-L175 HydrophobicContact CZ-CD1 4.15Å; F171-L175 HydrophobicContact CZ-CG 4.42Å; F171-L175 PolarHBondContact O-N 2.67Å; F171-L246 HydrophobicContact CD2-CD2 4.27Å; F171-L250 HydrophobicContact CE1-CD2 3.37Å; F171-L250 HydrophobicContact CE1-CG 3.77Å; F171-L250 HydrophobicContact CE2-CG 4.35Å; F171-L250 HydrophobicContact CZ-CD1 4.24Å; F171-L250 HydrophobicContact CZ-CD2 3.37Å; F171-L250 HydrophobicContact CZ-CG 3.53Å; F171-L253 HydrophobicContact CD1-CD1 3.39Å; F171-L253 HydrophobicContact CD1-CG 4.16Å; F171-L253 HydrophobicContact CE1-CD1 3.72Å |
| 172 | P | 85.3 | Confident | 86 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.013 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.9 | -29.3 | 173.2 | 25.2 | -34.1 | 0 | 0 | 0 | 112.7 | G169 L175 L176 Q229 L232 L253 | G169-P172 VanDerWaalsContact O-CD 3.31Å; G169-P172 WeakPolarHBondContact O-CD 3.44Å; G169-P172 VanDerWaalsContact O-CG 3.29Å; G169-P172 WeakPolarHBondContact O-CG 3.43Å; P172-L175 PolarHBondContact O-N 3.1Å; P172-L176 WeakPolarHBondContact O-CB 3.38Å; P172-L176 WeakPolarHBondContact O-CD1 3.42Å; P172-L176 WeakPolarHBondContact O-CG 3.33Å; P172-L176 PolarHBondContact O-N 2.94Å; P172-Q229 HydrophobicContact CB-CB 4.13Å; P172-Q229 HydrophobicContact CG-CB 4.06Å; P172-Q229 HydrophobicContact CG-CG 4.38Å; P172-L232 HydrophobicContact CG-CD1 4.03Å; P172-L253 HydrophobicContact CB-CD1 4.09Å; P172-L253 HydrophobicContact CB-CD2 4.31Å; P172-L253 HydrophobicContact CG-CD1 4.49Å; P172-L253 HydrophobicContact CG-CD2 4.15Å |
| 173 | S | 86.3 | Confident | 86.5 | Confident | 11 Ų | 11 | 45.1 Ų | 45.1 | 8% | 0.077 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 174.9 | -55.5 | 0 | 0 | 0 | 0 | 112 | G169 T170 F171 L176 V177 Q229 R233 | G169-S173 WeakPolarHBondContact O-CB 3.44Å; G169-S173 PolarHBondContact O-N 2.91Å; G169-S173 VanDerWaalsContact O-N 3.08Å; G169-S173 PolarHBondContact O-OG 3.24Å; T170-S173 WeakPolarHBondContact O-CA 3.49Å; T170-S173 VanDerWaalsContact O-CB 3.31Å; T170-S173 WeakPolarHBondContact O-CB 3.29Å; T170-S173 PolarHBondContact O-N 2.85Å; T170-S173 VanDerWaalsContact O-N 3.1Å; F171-S173 PolarHBondContact O-N 3.18Å; S173-L176 PolarHBondContact O-N 3.13Å; S173-V177 PolarHBondContact O-N 3.2Å; S173-Q229 PolarHBondContact OG-OE1 3.33Å; S173-R233 PolarHBondContact OG-NH2 2.81Å |
| 174 | L | 86.7 | Confident | 86.8 | Confident | 57 Ų | 57 | 47.1 Ų | 47.1 | 30% | 0.298 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 175.2 | -70.4 | 170.9 | 0 | 0 | 0 | 111.6 | V114 V117 T170 F171 L176 V177 | V114-L174 HydrophobicContact CG2-CD2 4.19Å; V117-L174 HydrophobicContact CB-CD2 3.88Å; V117-L174 HydrophobicContact CG1-CD2 3.87Å; V117-L174 HydrophobicContact CG1-CG 4.1Å; V117-L174 HydrophobicContact CG2-CD2 4.05Å; T170-L174 HydrophobicContact CG2-CD1 4.23Å; T170-L174 HydrophobicContact CG2-CG 4.45Å; T170-L174 WeakPolarHBondContact O-CG 3.28Å; T170-L174 PolarHBondContact O-N 2.91Å; F171-L174 PolarHBondContact O-N 2.98Å; L174-L176 VanDerWaalsContact C-N 3.25Å; L174-L176 PolarHBondContact O-N 2.97Å; L174-V177 VanDerWaalsContact O-CB 3.27Å; L174-V177 WeakPolarHBondContact O-CB 3.5Å; L174-V177 WeakPolarHBondContact O-CG2 3.46Å; L174-V177 PolarHBondContact O-N 3.28Å |
| 175 | L | 87.5 | Confident | 87.4 | Confident | 62 Ų | 62 | 50.7 Ų | 50.7 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.2 | -34.8 | 174.8 | -67 | 178.5 | 0 | 0 | 0 | 112 | F171 P172 V177 L178 L225 | F171-L175 HydrophobicContact CD1-CD1 4.35Å; F171-L175 HydrophobicContact CE1-CD1 3.69Å; F171-L175 HydrophobicContact CE1-CG 4.3Å; F171-L175 HydrophobicContact CZ-CD1 4.15Å; F171-L175 HydrophobicContact CZ-CG 4.42Å; F171-L175 PolarHBondContact O-N 2.67Å; P172-L175 PolarHBondContact O-N 3.1Å; L175-V177 PolarHBondContact O-N 3.07Å; L175-L178 WeakPolarHBondContact O-CB 3.26Å; L175-L178 WeakPolarHBondContact O-CG 3.35Å; L175-L178 PolarHBondContact O-N 3.26Å; L175-L178 VanDerWaalsContact O-N 3.1Å; L175-L225 HydrophobicContact CB-CD1 4.03Å; L175-L225 HydrophobicContact CD1-CD1 4.27Å; L175-L225 HydrophobicContact CD1-CD2 4.18Å |
| 176 | L | 88.4 | Confident | 87.9 | Confident | 22 Ų | 22 | 51.9 Ų | 51.9 | 12% | 0.115 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.9 | -10.5 | 178.5 | -80.4 | 162 | 0 | 0 | 0 | 114 | P172 S173 L174 L178 N179 T222 L225 Q226 Q229 | P172-L176 WeakPolarHBondContact O-CB 3.38Å; P172-L176 WeakPolarHBondContact O-CD1 3.42Å; P172-L176 WeakPolarHBondContact O-CG 3.33Å; P172-L176 PolarHBondContact O-N 2.94Å; S173-L176 PolarHBondContact O-N 3.13Å; L174-L176 VanDerWaalsContact C-N 3.25Å; L174-L176 PolarHBondContact O-N 2.97Å; L176-L178 PolarHBondContact O-N 3.41Å; L176-N179 WeakPolarHBondContact O-CB 3.22Å; L176-N179 PolarHBondContact O-N 3.08Å; L176-T222 HydrophobicContact CD2-CG2 4.33Å; L176-L225 HydrophobicContact CD1-CB 4.28Å; L176-L225 HydrophobicContact CD2-CB 4.33Å; L176-L225 HydrophobicContact CG-CB 4.21Å; L176-Q226 HydrophobicContact CD1-CB 4.47Å; L176-Q226 HydrophobicContact CD1-CG 3.88Å; L176-Q226 HydrophobicContact CD2-CG 3.5Å; L176-Q226 VanDerWaalsContact CD2-CG 3.5Å; L176-Q226 HydrophobicContact CG-CG 4.39Å; L176-Q229 HydrophobicContact CD1-CB 4.25Å |
| 177 | V | 84.4 | Confident | 88.2 | Confident | 84 Ų | 84 | 54.6 Ų | 54.6 | 51% | 0.509 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18.7 | 167.3 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | V117 S173 L174 L175 N179 P180 | V117-V177 HydrophobicContact CG2-CG2 4.3Å; S173-V177 PolarHBondContact O-N 3.2Å; L174-V177 VanDerWaalsContact O-CB 3.27Å; L174-V177 WeakPolarHBondContact O-CB 3.5Å; L174-V177 WeakPolarHBondContact O-CG2 3.46Å; L174-V177 PolarHBondContact O-N 3.28Å; L175-V177 PolarHBondContact O-N 3.07Å; V177-N179 VanDerWaalsContact C-N 3.28Å; V177-N179 PolarHBondContact O-N 3.22Å; V177-P180 VanDerWaalsContact O-CD 3.27Å; V177-P180 WeakPolarHBondContact O-CD 3.27Å |
| 178 | L | 86.4 | Confident | 88.4 | Confident | 104 Ų | 104 | 51.9 Ų | 51.9 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -14.5 | 172.4 | -59.7 | 176.1 | 0 | 0 | 0 | 113.3 | L175 L176 A181 I182 | L175-L178 WeakPolarHBondContact O-CB 3.26Å; L175-L178 WeakPolarHBondContact O-CG 3.35Å; L175-L178 PolarHBondContact O-N 3.26Å; L175-L178 VanDerWaalsContact O-N 3.1Å; L176-L178 PolarHBondContact O-N 3.41Å; L178-A181 WeakPolarHBondContact O-CB 3.32Å; L178-A181 PolarHBondContact O-N 3.44Å; L178-A181 VanDerWaalsContact O-N 3.12Å; L178-I182 WeakPolarHBondContact O-CG1 3.28Å; L178-I182 PolarHBondContact O-N 3.5Å |
| 179 | N | 91.1 | Very high | 88.8 | Confident | 13 Ų | 13 | 51.1 Ų | 51.1 | 7% | 0.07 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.6 | -47.8 | -177 | 179.7 | -87.4 | 0 | 0 | 0 | 113.2 | L176 V177 A181 I182 Q183 K215 A218 T222 | L176-N179 WeakPolarHBondContact O-CB 3.22Å; L176-N179 PolarHBondContact O-N 3.08Å; V177-N179 VanDerWaalsContact C-N 3.28Å; V177-N179 PolarHBondContact O-N 3.22Å; N179-A181 VanDerWaalsContact C-N 3.31Å; N179-A181 PolarHBondContact O-N 3.02Å; N179-I182 PolarHBondContact O-N 3.05Å; N179-Q183 WeakPolarHBondContact O-CB 3.38Å; N179-Q183 PolarHBondContact O-N 3.34Å; N179-K215 PolarHBondContact OD1-NZ 3.26Å; N179-A218 PolarHBondContact ND2-O 3Å; N179-T222 HydrophobicContact CB-CG2 4.21Å; N179-T222 PolarHBondContact ND2-OG1 3.17Å |
| 180 | P | 88.3 | Confident | 89.2 | Confident | 76 Ų | 76 | 53.3 Ų | 53.3 | 49% | 0.494 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.8 | -33.9 | 175.2 | -22.8 | 35.9 | 0 | 0 | 0 | 113.5 | V177 Q183 F184 | V177-P180 VanDerWaalsContact O-CD 3.27Å; V177-P180 WeakPolarHBondContact O-CD 3.27Å; P180-Q183 PolarHBondContact O-N 2.9Å; P180-F184 WeakPolarHBondContact O-CB 3.37Å; P180-F184 PolarHBondContact O-N 3.4Å |
| 181 | A | 89 | Confident | 89.3 | Confident | 61 Ų | 61 | 54.1 Ų | 54.1 | 50% | 0.504 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L178 N179 F184 M185 | L178-A181 WeakPolarHBondContact O-CB 3.32Å; L178-A181 PolarHBondContact O-N 3.44Å; L178-A181 VanDerWaalsContact O-N 3.12Å; N179-A181 VanDerWaalsContact C-N 3.31Å; N179-A181 PolarHBondContact O-N 3.02Å; A181-F184 PolarHBondContact O-N 3.38Å; A181-M185 WeakPolarHBondContact O-CB 3.36Å; A181-M185 PolarHBondContact O-N 3.14Å |
| 182 | I | 92.3 | Very high | 89.4 | Confident | 40 Ų | 40 | 60.4 Ų | 60.4 | 21% | 0.205 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 174.1 | -62.3 | 166.9 | 0 | 0 | 0 | 110.3 | L178 N179 F184 M185 V186 A218 V221 T222 | L178-I182 WeakPolarHBondContact O-CG1 3.28Å; L178-I182 PolarHBondContact O-N 3.5Å; N179-I182 PolarHBondContact O-N 3.05Å; I182-F184 PolarHBondContact O-N 2.91Å; I182-M185 PolarHBondContact O-N 3.18Å; I182-V186 HydrophobicContact CG2-CG2 4.48Å; I182-V186 WeakPolarHBondContact O-CG2 3.21Å; I182-V186 PolarHBondContact O-N 3.38Å; I182-A218 HydrophobicContact CB-CB 4.18Å; I182-A218 HydrophobicContact CG2-CB 3.9Å; I182-V221 HydrophobicContact CD1-CG1 4.24Å; I182-T222 HydrophobicContact CD1-CG2 3.84Å |
| 183 | Q | 92.6 | Very high | 89.4 | Confident | 55 Ų | 55 | 66.8 Ų | 66.8 | 26% | 0.257 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.4 | -47.2 | 177.2 | 179.6 | -175.3 | -15 | 0 | 0 | 111.4 | N179 P180 V186 Y187 A214 K215 A218 | N179-Q183 WeakPolarHBondContact O-CB 3.38Å; N179-Q183 PolarHBondContact O-N 3.34Å; P180-Q183 PolarHBondContact O-N 2.9Å; Q183-V186 PolarHBondContact O-N 3.35Å; Q183-Y187 VanDerWaalsContact O-CB 3.29Å; Q183-Y187 WeakPolarHBondContact O-CB 3.19Å; Q183-Y187 PolarHBondContact O-N 2.98Å; Q183-A214 HydrophobicContact CG-CB 4.24Å; Q183-K215 VanDerWaalsContact CD-CD 3.5Å; Q183-K215 HydrophobicContact CG-CD 4.37Å; Q183-A218 HydrophobicContact CB-CB 3.85Å |
| 184 | F | 91.4 | Very high | 89.2 | Confident | 129 Ų | 129 | 69.9 Ų | 69.9 | 57% | 0.566 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.6 | -42.9 | 179.5 | -176.6 | -100.4 | 0 | 0 | 0 | 111.9 | P180 A181 I182 V186 Y187 E188 | P180-F184 WeakPolarHBondContact O-CB 3.37Å; P180-F184 PolarHBondContact O-N 3.4Å; A181-F184 PolarHBondContact O-N 3.38Å; I182-F184 PolarHBondContact O-N 2.91Å; F184-V186 PolarHBondContact O-N 3.27Å; F184-Y187 PolarHBondContact O-N 2.96Å; F184-E188 HydrophobicContact CD1-CG 4.34Å; F184-E188 HydrophobicContact CD2-CG 4.46Å; F184-E188 HydrophobicContact CE1-CG 3.81Å; F184-E188 HydrophobicContact CE2-CG 3.94Å; F184-E188 HydrophobicContact CZ-CG 3.59Å; F184-E188 PolarHBondContact O-N 3.41Å |
| 185 | M | 93.2 | Very high | 88.9 | Confident | 128 Ų | 128 | 73.4 Ų | 73.4 | 63% | 0.631 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -57.9 | -47.4 | 175.7 | -178.5 | -175.2 | 70.5 | 0 | 0 | 111.8 | A181 I182 G189 | A181-M185 WeakPolarHBondContact O-CB 3.36Å; A181-M185 PolarHBondContact O-N 3.14Å; I182-M185 PolarHBondContact O-N 3.18Å; M185-G189 PolarHBondContact O-N 2.86Å |
| 186 | V | 93.8 | Very high | 88.3 | Confident | 30 Ų | 30 | 81.4 Ų | 81.4 | 18% | 0.182 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 178.1 | 177.6 | 0 | 0 | 0 | 0 | 111 | I182 Q183 F184 G189 L190 A214 V217 | I182-V186 HydrophobicContact CG2-CG2 4.48Å; I182-V186 WeakPolarHBondContact O-CG2 3.21Å; I182-V186 PolarHBondContact O-N 3.38Å; Q183-V186 PolarHBondContact O-N 3.35Å; F184-V186 PolarHBondContact O-N 3.27Å; V186-G189 PolarHBondContact O-N 3.5Å; V186-L190 HydrophobicContact CG1-CD1 3.88Å; V186-L190 HydrophobicContact CG1-CG 4.29Å; V186-L190 WeakPolarHBondContact O-CB 3.38Å; V186-L190 WeakPolarHBondContact O-CG 3.42Å; V186-L190 PolarHBondContact O-N 2.95Å; V186-A214 HydrophobicContact CB-CB 4.04Å; V186-A214 HydrophobicContact CG1-CB 3.9Å; V186-V217 HydrophobicContact CG1-CB 4.35Å; V186-V217 HydrophobicContact CG1-CG2 4.48Å; V186-V217 HydrophobicContact CG2-CB 4.44Å; V186-V217 HydrophobicContact CG2-CG1 3.95Å |
| 187 | Y | 91.7 | Very high | 87.2 | Confident | 60 Ų | 60 | 83.8 Ų | 83.8 | 24% | 0.235 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -59.2 | -51 | 178 | 179.3 | -96 | 0 | 0 | 0 | 112 | Q183 F184 G189 L190 K191 I210 | Q183-Y187 VanDerWaalsContact O-CB 3.29Å; Q183-Y187 WeakPolarHBondContact O-CB 3.19Å; Q183-Y187 PolarHBondContact O-N 2.98Å; F184-Y187 PolarHBondContact O-N 2.96Å; Y187-G189 PolarHBondContact O-N 3.21Å; Y187-L190 PolarHBondContact O-N 3.32Å; Y187-K191 HydrophobicContact CE1-CD 3.97Å; Y187-K191 WeakPolarHBondContact O-CB 3.22Å; Y187-K191 PolarHBondContact O-N 3.36Å; Y187-I210 HydrophobicContact CD2-CB 4.36Å; Y187-I210 HydrophobicContact CD2-CG2 3.61Å; Y187-I210 HydrophobicContact CE2-CB 4.25Å; Y187-I210 HydrophobicContact CE2-CG2 3.87Å; Y187-I210 HydrophobicContact CG-CG2 4.37Å |
| 188 | E | 91.5 | Very high | 86.1 | Confident | 41 Ų | 41 | 81.9 Ų | 81.9 | 19% | 0.192 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.8 | -36.2 | 178.4 | -78.3 | -64.3 | 139.5 | 0 | 0 | 112.1 | F184 K191 R192 | F184-E188 HydrophobicContact CD1-CG 4.34Å; F184-E188 HydrophobicContact CD2-CG 4.46Å; F184-E188 HydrophobicContact CE1-CG 3.81Å; F184-E188 HydrophobicContact CE2-CG 3.94Å; F184-E188 HydrophobicContact CZ-CG 3.59Å; F184-E188 PolarHBondContact O-N 3.41Å; E188-K191 IonicContact OE1-NZ 3.82Å; E188-K191 PolarHBondContact OE1-NZ 2.8Å; E188-R192 WeakPolarHBondContact O-CB 3.24Å; E188-R192 WeakPolarHBondContact O-CG 3.39Å; E188-R192 PolarHBondContact O-N 3.32Å |
| 189 | G | 91.4 | Very high | 84.8 | Confident | 35 Ų | 35 | 83.5 Ų | 83.5 | 36% | 0.361 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.1 | -51.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M185 V186 Y187 R192 Q193 | M185-G189 PolarHBondContact O-N 2.86Å; V186-G189 PolarHBondContact O-N 3.5Å; Y187-G189 PolarHBondContact O-N 3.21Å; G189-R192 PolarHBondContact O-N 2.93Å; G189-Q193 PolarHBondContact O-N 3.08Å; G189-Q193 VanDerWaalsContact O-N 3.15Å |
| 190 | L | 89.9 | Confident | 83.9 | Confident | 52 Ų | 52 | 90.4 Ų | 90.4 | 27% | 0.272 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 178.2 | -70.4 | 174 | 0 | 0 | 0 | 112 | V186 Y187 R192 Q193 L194 I210 V213 | V186-L190 HydrophobicContact CG1-CD1 3.88Å; V186-L190 HydrophobicContact CG1-CG 4.29Å; V186-L190 WeakPolarHBondContact O-CB 3.38Å; V186-L190 WeakPolarHBondContact O-CG 3.42Å; V186-L190 PolarHBondContact O-N 2.95Å; Y187-L190 PolarHBondContact O-N 3.32Å; L190-R192 VanDerWaalsContact C-N 3.34Å; L190-R192 PolarHBondContact O-N 2.9Å; L190-Q193 PolarHBondContact O-N 2.96Å; L190-L194 PolarHBondContact O-N 3.44Å; L190-I210 HydrophobicContact CB-CG2 3.69Å; L190-I210 HydrophobicContact CD1-CG2 4.06Å; L190-V213 HydrophobicContact CD1-CB 4.31Å; L190-V213 HydrophobicContact CD1-CG1 3.9Å |
| 191 | K | 87.6 | Confident | 83.2 | Confident | 36 Ų | 36 | 95.3 Ų | 95.3 | 16% | 0.157 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 176.3 | 175.2 | 173.3 | 172.7 | -161.3 | 0 | 112.4 | Y187 E188 L194 R195 L202 | Y187-K191 HydrophobicContact CE1-CD 3.97Å; Y187-K191 WeakPolarHBondContact O-CB 3.22Å; Y187-K191 PolarHBondContact O-N 3.36Å; E188-K191 IonicContact OE1-NZ 3.82Å; E188-K191 PolarHBondContact OE1-NZ 2.8Å; K191-L194 PolarHBondContact O-N 2.91Å; K191-R195 WeakPolarHBondContact O-CB 3.29Å; K191-R195 WeakPolarHBondContact O-CG 3.41Å; K191-R195 PolarHBondContact O-N 3.36Å; K191-L202 HydrophobicContact CD-CD1 4.21Å; K191-L202 HydrophobicContact CG-CD1 3.89Å |
| 192 | R | 87.8 | Confident | 82.5 | Confident | 170 Ų | 170 | 94.1 Ų | 94.1 | 64% | 0.642 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.5 | -40.2 | 175.9 | -74.9 | 171.5 | -172.6 | -167.6 | 0.9 | 112.2 | E188 G189 L190 R196 | E188-R192 WeakPolarHBondContact O-CB 3.24Å; E188-R192 WeakPolarHBondContact O-CG 3.39Å; E188-R192 PolarHBondContact O-N 3.32Å; G189-R192 PolarHBondContact O-N 2.93Å; L190-R192 VanDerWaalsContact C-N 3.34Å; L190-R192 PolarHBondContact O-N 2.9Å; R192-R196 WeakPolarHBondContact O-CG 3.35Å; R192-R196 PolarHBondContact O-N 3.36Å |
| 193 | Q | 86 | Confident | 82 | Confident | 137 Ų | 137 | 95.1 Ų | 95.1 | 64% | 0.64 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.1 | -42.5 | 176.6 | -73.3 | -178.1 | -24 | 0 | 0 | 111.8 | G189 L190 R196 | G189-Q193 PolarHBondContact O-N 3.08Å; G189-Q193 VanDerWaalsContact O-N 3.15Å; L190-Q193 PolarHBondContact O-N 2.96Å; Q193-R196 PolarHBondContact O-N 2.88Å |
| 194 | L | 81.9 | Confident | 81.4 | Confident | 75 Ų | 75 | 96.6 Ų | 96.6 | 39% | 0.393 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.4 | -39.2 | -179.7 | -168.3 | 59.1 | 0 | 0 | 0 | 112.6 | L190 K191 R196 G197 A198 L202 I210 | L190-L194 PolarHBondContact O-N 3.44Å; K191-L194 PolarHBondContact O-N 2.91Å; L194-R196 VanDerWaalsContact C-N 3.27Å; L194-R196 PolarHBondContact O-N 3.45Å; L194-G197 PolarHBondContact O-N 2.85Å; L194-G197 VanDerWaalsContact O-N 3.14Å; L194-A198 PolarHBondContact O-N 3.13Å; L194-L202 HydrophobicContact CD2-CD2 3.49Å; L194-L202 VanDerWaalsContact CD2-CD2 3.49Å; L194-L202 HydrophobicContact CG-CD2 4.16Å; L194-I210 HydrophobicContact CD2-CD1 3.8Å |
| 195 | R | 80.3 | Confident | 80.9 | Confident | 132 Ų | 132 | 96.2 Ų | 96.2 | 50% | 0.498 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.5 | -25.5 | 175.3 | -75.8 | -179 | 173.3 | -168.5 | -5.4 | 113.8 | K191 G197 A198 | K191-R195 WeakPolarHBondContact O-CB 3.29Å; K191-R195 WeakPolarHBondContact O-CG 3.41Å; K191-R195 PolarHBondContact O-N 3.36Å; R195-G197 PolarHBondContact O-N 3.44Å; R195-A198 CarbonylContact O-C 3.59Å |
| 196 | R | 75.5 | Confident | 80.5 | Confident | 229 Ų | 229 | 92.2 Ų | 92.2 | 86% | 0.864 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -68.6 | -22.7 | 173.5 | -81 | 176.6 | 164.9 | 175.6 | -4.7 | 112.8 | R192 Q193 L194 | R192-R196 WeakPolarHBondContact O-CG 3.35Å; R192-R196 PolarHBondContact O-N 3.36Å; Q193-R196 PolarHBondContact O-N 2.88Å; L194-R196 VanDerWaalsContact C-N 3.27Å; L194-R196 PolarHBondContact O-N 3.45Å |
| 197 | G | 66.1 | Low | 80 | Confident | 73 Ų | 73 | 92.1 Ų | 92.1 | 75% | 0.753 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -96 | -18.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L194 R195 | L194-G197 PolarHBondContact O-N 2.85Å; L194-G197 VanDerWaalsContact O-N 3.14Å; R195-G197 PolarHBondContact O-N 3.44Å |
| 198 | A | 60.8 | Low | 79.8 | Confident | 43 Ų | 43 | 92.3 Ų | 92.3 | 36% | 0.355 | 48% | 0.481 | S | S | . | . | trans | -151.3 | 123.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L194 R195 R200 | L194-A198 PolarHBondContact O-N 3.13Å; R195-A198 CarbonylContact O-C 3.59Å; A198-R200 HydrophobicContact CB-CG 4.22Å; A198-R200 PolarHBondContact O-N 3.41Å | ||
| 199 | S | 58 | Low | 79.6 | Confident | 139 Ų | 139 | 95.2 Ų | 95.2 | 97% | 0.972 | 50% | 0.496 | S | S | * | . | trans | -77 | 49.3 | 172.9 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 200 | R | 72.7 | Confident | 79.5 | Confident | 157 Ų | 157 | 94.3 Ų | 94.3 | 59% | 0.592 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -120.5 | 153 | 175.5 | 74.6 | 175.3 | -174 | -172.7 | -0.2 | 112 | A198 E206 | A198-R200 HydrophobicContact CB-CG 4.22Å; A198-R200 PolarHBondContact O-N 3.41Å; R200-E206 IonicContact CZ-OE1 3.74Å; R200-E206 IonicContact NE-OE1 3.99Å; R200-E206 IonicContact NH2-OE1 2.74Å; R200-E206 PolarHBondContact NH2-OE1 3.35Å |
| 201 | E | 74.2 | Confident | 79.5 | Confident | 180 Ų | 180 | 92.8 Ų | 92.8 | 84% | 0.841 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 142.5 | 167.9 | -64.7 | -169.5 | 154.4 | 0 | 0 | 110 | ||
| 202 | L | 72.9 | Confident | 79.7 | Confident | 36 Ų | 36 | 92.2 Ų | 92.2 | 19% | 0.188 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -70 | 133.1 | -178.5 | -68.1 | 176.8 | 0 | 0 | 0 | 109.6 | K191 L194 E206 I210 | K191-L202 HydrophobicContact CD-CD1 4.21Å; K191-L202 HydrophobicContact CG-CD1 3.89Å; L194-L202 HydrophobicContact CD2-CD2 3.49Å; L194-L202 VanDerWaalsContact CD2-CD2 3.49Å; L194-L202 HydrophobicContact CG-CD2 4.16Å; L202-E206 HydrophobicContact CD2-CB 4.41Å; L202-I210 HydrophobicContact CD1-CD1 4.16Å; L202-I210 HydrophobicContact CD2-CD1 4.47Å |
| 203 | S | 82.4 | Confident | 79.9 | Confident | 61 Ų | 61 | 87.4 Ų | 87.4 | 43% | 0.427 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 149.7 | 168.8 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | L205 E206 A207 | S203-L205 PolarHBondContact O-N 3.22Å; S203-L205 VanDerWaalsContact O-N 3.14Å; S203-E206 PolarHBondContact N-OE2 2.91Å; S203-E206 WeakPolarHBondContact O-CB 3.37Å; S203-E206 PolarHBondContact O-N 2.85Å; S203-A207 PolarHBondContact O-N 3.47Å |
| 204 | S | 79.8 | Confident | 80.2 | Confident | 86 Ų | 86 | 80.9 Ų | 80.9 | 60% | 0.601 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -53.9 | -34.6 | 176.6 | -49.1 | 0 | 0 | 0 | 0 | 112.2 | F208 | S204-F208 WeakPolarHBondContact O-CB 3.49Å; S204-F208 PolarHBondContact O-N 2.91Å |
| 205 | L | 80.8 | Confident | 80.7 | Confident | 120 Ų | 120 | 79.9 Ų | 79.9 | 63% | 0.628 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -70.2 | -40.2 | 174.9 | -74 | 173.1 | 0 | 0 | 0 | 112.9 | S203 F208 I209 | S203-L205 PolarHBondContact O-N 3.22Å; S203-L205 VanDerWaalsContact O-N 3.14Å; L205-F208 PolarHBondContact O-N 2.86Å; L205-I209 VanDerWaalsContact O-CG1 3.28Å; L205-I209 WeakPolarHBondContact O-CG1 3.36Å; L205-I209 PolarHBondContact O-N 3.32Å |
| 206 | E | 84.5 | Confident | 81.3 | Confident | 44 Ų | 44 | 74.8 Ų | 74.8 | 21% | 0.206 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 176.7 | -67.8 | 172.2 | 152.7 | 0 | 0 | 110.4 | R200 L202 S203 F208 I209 I210 | R200-E206 IonicContact CZ-OE1 3.74Å; R200-E206 IonicContact NE-OE1 3.99Å; R200-E206 IonicContact NH2-OE1 2.74Å; R200-E206 PolarHBondContact NH2-OE1 3.35Å; L202-E206 HydrophobicContact CD2-CB 4.41Å; S203-E206 PolarHBondContact N-OE2 2.91Å; S203-E206 WeakPolarHBondContact O-CB 3.37Å; S203-E206 PolarHBondContact O-N 2.85Å; E206-F208 VanDerWaalsContact C-N 3.32Å; E206-F208 PolarHBondContact O-N 3.32Å; E206-I209 PolarHBondContact O-N 3.47Å; E206-I210 WeakPolarHBondContact O-CB 3.25Å; E206-I210 WeakPolarHBondContact O-CD1 3.28Å; E206-I210 WeakPolarHBondContact O-CG1 3.01Å; E206-I210 PolarHBondContact O-N 3.34Å |
| 207 | A | 85.2 | Confident | 82.2 | Confident | 28 Ų | 28 | 66.6 Ų | 66.6 | 23% | 0.231 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S203 G211 | S203-A207 PolarHBondContact O-N 3.47Å; A207-G211 PolarHBondContact O-N 3.3Å |
| 208 | F | 86.1 | Confident | 83.5 | Confident | 64 Ų | 64 | 63.1 Ų | 63.1 | 28% | 0.281 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62 | -47.9 | 174.7 | 178.5 | -95.2 | 0 | 0 | 0 | 112 | S204 L205 E206 G211 A212 A284 A285 | S204-F208 WeakPolarHBondContact O-CB 3.49Å; S204-F208 PolarHBondContact O-N 2.91Å; L205-F208 PolarHBondContact O-N 2.86Å; E206-F208 VanDerWaalsContact C-N 3.32Å; E206-F208 PolarHBondContact O-N 3.32Å; F208-G211 PolarHBondContact O-N 2.7Å; F208-A212 WeakPolarHBondContact O-CB 3.26Å; F208-A212 PolarHBondContact O-N 2.94Å; F208-A284 HydrophobicContact CE2-CB 4.13Å; F208-A285 HydrophobicContact CZ-CB 3.88Å |
| 209 | I | 87.9 | Confident | 85 | Confident | 102 Ų | 102 | 61.1 Ų | 61.1 | 52% | 0.523 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 179.8 | -68.1 | 166.5 | 0 | 0 | 0 | 110.7 | L205 E206 G211 A212 V213 | L205-I209 VanDerWaalsContact O-CG1 3.28Å; L205-I209 WeakPolarHBondContact O-CG1 3.36Å; L205-I209 PolarHBondContact O-N 3.32Å; E206-I209 PolarHBondContact O-N 3.47Å; I209-G211 VanDerWaalsContact C-N 3.29Å; I209-G211 PolarHBondContact O-N 3.01Å; I209-A212 PolarHBondContact O-N 2.63Å; I209-V213 HydrophobicContact CG2-CG2 4.43Å; I209-V213 WeakPolarHBondContact O-CG2 3.27Å; I209-V213 PolarHBondContact O-N 3.4Å |
| 210 | I | 89.8 | Confident | 86.7 | Confident | 17 Ų | 17 | 57.9 Ų | 57.9 | 9% | 0.087 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 177.2 | -65.4 | 166.1 | 0 | 0 | 0 | 110.2 | Y187 L190 L194 L202 E206 V213 A214 | Y187-I210 HydrophobicContact CD2-CB 4.36Å; Y187-I210 HydrophobicContact CD2-CG2 3.61Å; Y187-I210 HydrophobicContact CE2-CB 4.25Å; Y187-I210 HydrophobicContact CE2-CG2 3.87Å; Y187-I210 HydrophobicContact CG-CG2 4.37Å; L190-I210 HydrophobicContact CB-CG2 3.69Å; L190-I210 HydrophobicContact CD1-CG2 4.06Å; L194-I210 HydrophobicContact CD2-CD1 3.8Å; L202-I210 HydrophobicContact CD1-CD1 4.16Å; L202-I210 HydrophobicContact CD2-CD1 4.47Å; E206-I210 WeakPolarHBondContact O-CB 3.25Å; E206-I210 WeakPolarHBondContact O-CD1 3.28Å; E206-I210 WeakPolarHBondContact O-CG1 3.01Å; E206-I210 PolarHBondContact O-N 3.34Å; I210-V213 PolarHBondContact O-N 3.49Å; I210-A214 WeakPolarHBondContact O-CB 3.39Å; I210-A214 PolarHBondContact O-N 2.82Å |
| 211 | G | 90.1 | Very high | 87.6 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.6 | -44 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A207 F208 I209 A214 K215 | A207-G211 PolarHBondContact O-N 3.3Å; F208-G211 PolarHBondContact O-N 2.7Å; I209-G211 VanDerWaalsContact C-N 3.29Å; I209-G211 PolarHBondContact O-N 3.01Å; G211-A214 PolarHBondContact O-N 3.18Å; G211-K215 WeakPolarHBondContact O-CB 3.46Å; G211-K215 PolarHBondContact O-N 3.25Å |
| 212 | A | 90.4 | Very high | 88.4 | Confident | 25 Ų | 25 | 46.6 Ų | 46.6 | 21% | 0.207 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | F208 I209 K215 A216 | F208-A212 WeakPolarHBondContact O-CB 3.26Å; F208-A212 PolarHBondContact O-N 2.94Å; I209-A212 PolarHBondContact O-N 2.63Å; A212-K215 PolarHBondContact O-N 3.22Å; A212-A216 WeakPolarHBondContact O-CB 3.27Å; A212-A216 PolarHBondContact O-N 2.91Å |
| 213 | V | 91.8 | Very high | 89.3 | Confident | 69 Ų | 69 | 44.9 Ų | 44.9 | 42% | 0.418 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 175.9 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | L190 I209 I210 K215 A216 V217 | L190-V213 HydrophobicContact CD1-CB 4.31Å; L190-V213 HydrophobicContact CD1-CG1 3.9Å; I209-V213 HydrophobicContact CG2-CG2 4.43Å; I209-V213 WeakPolarHBondContact O-CG2 3.27Å; I209-V213 PolarHBondContact O-N 3.4Å; I210-V213 PolarHBondContact O-N 3.49Å; V213-K215 VanDerWaalsContact C-N 3.28Å; V213-K215 PolarHBondContact O-N 2.98Å; V213-A216 WeakPolarHBondContact O-CB 3.26Å; V213-A216 PolarHBondContact O-N 3.02Å; V213-A216 VanDerWaalsContact O-N 3.13Å; V213-V217 HydrophobicContact CG1-CG2 4.42Å; V213-V217 WeakPolarHBondContact O-CG2 3.1Å; V213-V217 PolarHBondContact O-N 3.42Å |
| 214 | A | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q183 V186 I210 G211 A218 | Q183-A214 HydrophobicContact CG-CB 4.24Å; V186-A214 HydrophobicContact CB-CB 4.04Å; V186-A214 HydrophobicContact CG1-CB 3.9Å; I210-A214 WeakPolarHBondContact O-CB 3.39Å; I210-A214 PolarHBondContact O-N 2.82Å; G211-A214 PolarHBondContact O-N 3.18Å; A214-A218 WeakPolarHBondContact O-CB 3.42Å; A214-A218 PolarHBondContact O-N 3.48Å |
| 215 | K | 92.4 | Very high | 90.2 | Very high | 53 Ų | 53 | 41.1 Ų | 41.1 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.6 | -39.8 | 175.8 | -170.8 | 65.1 | 178.8 | 176.7 | 0 | 112.2 | N179 Q183 G211 A212 V213 T219 T280 | N179-K215 PolarHBondContact OD1-NZ 3.26Å; Q183-K215 VanDerWaalsContact CD-CD 3.5Å; Q183-K215 HydrophobicContact CG-CD 4.37Å; G211-K215 WeakPolarHBondContact O-CB 3.46Å; G211-K215 PolarHBondContact O-N 3.25Å; A212-K215 PolarHBondContact O-N 3.22Å; V213-K215 VanDerWaalsContact C-N 3.28Å; V213-K215 PolarHBondContact O-N 2.98Å; K215-T219 VanDerWaalsContact O-CB 3.22Å; K215-T219 WeakPolarHBondContact O-CB 3.23Å; K215-T219 PolarHBondContact O-N 2.71Å; K215-T219 PolarHBondContact O-OG1 2.87Å; K215-T280 HydrophobicContact CG-CG2 3.58Å |
| 216 | A | 93.3 | Very high | 90.7 | Very high | 26 Ų | 26 | 36.4 Ų | 36.4 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.7 | -49.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | A212 V213 A218 T219 I220 L277 | A212-A216 WeakPolarHBondContact O-CB 3.27Å; A212-A216 PolarHBondContact O-N 2.91Å; V213-A216 WeakPolarHBondContact O-CB 3.26Å; V213-A216 PolarHBondContact O-N 3.02Å; V213-A216 VanDerWaalsContact O-N 3.13Å; A216-A218 PolarHBondContact O-N 2.84Å; A216-T219 WeakPolarHBondContact O-CB 3.24Å; A216-T219 PolarHBondContact O-N 3.29Å; A216-T219 VanDerWaalsContact O-N 3.15Å; A216-I220 VanDerWaalsContact O-CG1 3.25Å; A216-I220 WeakPolarHBondContact O-CG1 3.35Å; A216-I220 PolarHBondContact O-N 3.5Å; A216-L277 HydrophobicContact CB-CD2 3.84Å |
| 217 | V | 93.6 | Very high | 90.9 | Very high | 57 Ų | 57 | 34.3 Ų | 34.3 | 35% | 0.345 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59 | -49.8 | 177.7 | 174.8 | 0 | 0 | 0 | 0 | 111 | V186 V213 T219 I220 V221 | V186-V217 HydrophobicContact CG1-CB 4.35Å; V186-V217 HydrophobicContact CG1-CG2 4.48Å; V186-V217 HydrophobicContact CG2-CB 4.44Å; V186-V217 HydrophobicContact CG2-CG1 3.95Å; V213-V217 HydrophobicContact CG1-CG2 4.42Å; V213-V217 WeakPolarHBondContact O-CG2 3.1Å; V213-V217 PolarHBondContact O-N 3.42Å; V217-T219 VanDerWaalsContact C-N 3.27Å; V217-T219 PolarHBondContact O-N 3.49Å; V217-I220 PolarHBondContact O-N 3.45Å; V217-V221 WeakPolarHBondContact O-CG2 3.31Å; V217-V221 PolarHBondContact O-N 2.86Å |
| 218 | A | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.9 | -39.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | N179 I182 Q183 A214 A216 T222 | N179-A218 PolarHBondContact ND2-O 3Å; I182-A218 HydrophobicContact CB-CB 4.18Å; I182-A218 HydrophobicContact CG2-CB 3.9Å; Q183-A218 HydrophobicContact CB-CB 3.85Å; A214-A218 WeakPolarHBondContact O-CB 3.42Å; A214-A218 PolarHBondContact O-N 3.48Å; A216-A218 PolarHBondContact O-N 2.84Å; A218-T222 WeakPolarHBondContact O-CB 3.32Å; A218-T222 WeakPolarHBondContact O-CG2 3.17Å; A218-T222 PolarHBondContact O-N 3.37Å; A218-T222 VanDerWaalsContact O-N 3.09Å; A218-T222 PolarHBondContact O-OG1 2.94Å |
| 219 | T | 92.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.7 | -44.7 | 177.2 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | K215 A216 V217 T222 Y223 L273 K276 L277 | K215-T219 VanDerWaalsContact O-CB 3.22Å; K215-T219 WeakPolarHBondContact O-CB 3.23Å; K215-T219 PolarHBondContact O-N 2.71Å; K215-T219 PolarHBondContact O-OG1 2.87Å; A216-T219 WeakPolarHBondContact O-CB 3.24Å; A216-T219 PolarHBondContact O-N 3.29Å; A216-T219 VanDerWaalsContact O-N 3.15Å; V217-T219 VanDerWaalsContact C-N 3.27Å; V217-T219 PolarHBondContact O-N 3.49Å; T219-T222 CarbonylContact O-C 3.54Å; T219-T222 PolarHBondContact O-N 3.08Å; T219-T222 PolarHBondContact O-OG1 2.91Å; T219-Y223 HydrophobicContact CG2-CD2 4.14Å; T219-Y223 VanDerWaalsContact O-CA 3.29Å; T219-Y223 WeakPolarHBondContact O-CA 3.47Å; T219-Y223 WeakPolarHBondContact O-CB 3.35Å; T219-Y223 PolarHBondContact O-N 2.98Å; T219-L273 HydrophobicContact CG2-CD1 4.32Å; T219-K276 HydrophobicContact CG2-CG 3.93Å; T219-L277 HydrophobicContact CG2-CD2 4.22Å |
| 220 | I | 93.3 | Very high | 91.2 | Very high | 71 Ų | 71 | 26.9 Ų | 26.9 | 36% | 0.364 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60.5 | -50.1 | 178.5 | -69.1 | 162.9 | 0 | 0 | 0 | 110.6 | A216 V217 T222 Y223 F270 L273 | A216-I220 VanDerWaalsContact O-CG1 3.25Å; A216-I220 WeakPolarHBondContact O-CG1 3.35Å; A216-I220 PolarHBondContact O-N 3.5Å; V217-I220 PolarHBondContact O-N 3.45Å; I220-T222 VanDerWaalsContact C-N 3.28Å; I220-T222 PolarHBondContact O-N 2.92Å; I220-Y223 WeakPolarHBondContact O-CB 3.47Å; I220-Y223 PolarHBondContact O-N 2.63Å; I220-F270 HydrophobicContact CG2-CE1 4.37Å; I220-L273 HydrophobicContact CG1-CD1 4.13Å; I220-L273 HydrophobicContact CG1-CD2 4.13Å |
| 221 | V | 92.4 | Very high | 91 | Very high | 93 Ų | 93 | 26.3 Ų | 26.3 | 56% | 0.564 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -59.7 | -41.6 | -179.8 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | I182 V217 | I182-V221 HydrophobicContact CD1-CG1 4.24Å; V217-V221 WeakPolarHBondContact O-CG2 3.31Å; V217-V221 PolarHBondContact O-N 2.86Å |
| 222 | T | 92.1 | Very high | 90.8 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 4% | 0.043 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -90.6 | -1.7 | -177.8 | 61.8 | 0 | 0 | 0 | 0 | 113.7 | L176 N179 I182 A218 T219 I220 L225 Q226 | L176-T222 HydrophobicContact CD2-CG2 4.33Å; N179-T222 HydrophobicContact CB-CG2 4.21Å; N179-T222 PolarHBondContact ND2-OG1 3.17Å; I182-T222 HydrophobicContact CD1-CG2 3.84Å; A218-T222 WeakPolarHBondContact O-CB 3.32Å; A218-T222 WeakPolarHBondContact O-CG2 3.17Å; A218-T222 PolarHBondContact O-N 3.37Å; A218-T222 VanDerWaalsContact O-N 3.09Å; A218-T222 PolarHBondContact O-OG1 2.94Å; T219-T222 CarbonylContact O-C 3.54Å; T219-T222 PolarHBondContact O-N 3.08Å; T219-T222 PolarHBondContact O-OG1 2.91Å; I220-T222 VanDerWaalsContact C-N 3.28Å; I220-T222 PolarHBondContact O-N 2.92Å; T222-L225 WeakPolarHBondContact O-CB 3.29Å; T222-L225 PolarHBondContact O-N 2.95Å; T222-L225 VanDerWaalsContact O-N 3.16Å; T222-Q226 WeakPolarHBondContact O-CG 3.15Å; T222-Q226 PolarHBondContact O-N 2.9Å; T222-Q226 VanDerWaalsContact O-N 3.08Å; T222-Q226 PolarHBondContact OG1-NE2 3.3Å |
| 223 | Y | 91.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62 | -42.7 | -170.5 | -161.2 | -98.5 | 0 | 0 | 0 | 113.6 | Q39 T219 I220 L225 Q226 T227 L269 F270 K271 G272 L273 K276 | Q39-Y223 PolarHBondContact NE2-OH 3.43Å; T219-Y223 HydrophobicContact CG2-CD2 4.14Å; T219-Y223 VanDerWaalsContact O-CA 3.29Å; T219-Y223 WeakPolarHBondContact O-CA 3.47Å; T219-Y223 WeakPolarHBondContact O-CB 3.35Å; T219-Y223 PolarHBondContact O-N 2.98Å; I220-Y223 WeakPolarHBondContact O-CB 3.47Å; I220-Y223 PolarHBondContact O-N 2.63Å; Y223-L225 PolarHBondContact O-N 2.87Å; Y223-Q226 WeakPolarHBondContact O-CB 3.19Å; Y223-Q226 PolarHBondContact O-N 2.92Å; Y223-T227 WeakPolarHBondContact CE1-OG1 3.15Å; Y223-T227 PolarHBondContact O-N 3.21Å; Y223-T227 PolarHBondContact O-OG1 3.2Å; Y223-L269 VanDerWaalsContact CD1-O 3.24Å; Y223-L269 WeakPolarHBondContact CD1-O 3.48Å; Y223-L269 WeakPolarHBondContact CE1-O 3.11Å; Y223-F270 HydrophobicContact CD1-CB 4.42Å; Y223-F270 AromaticContact CD1-CD1 3.83Å; Y223-F270 HydrophobicContact CD1-CD1 3.83Å; Y223-F270 HydrophobicContact CD1-CG 4.44Å; Y223-F270 HydrophobicContact CG-CD1 4.25Å; Y223-K271 WeakPolarHBondContact CE1-O 3.4Å; Y223-K271 PolarHBondContact OH-O 2.86Å; Y223-G272 WeakPolarHBondContact OH-CA 3.32Å; Y223-G272 PolarHBondContact OH-O 2.98Å; Y223-L273 HydrophobicContact CD1-CB 4.23Å; Y223-L273 HydrophobicContact CD1-CD1 4.32Å; Y223-L273 HydrophobicContact CD2-CB 4.37Å; Y223-L273 HydrophobicContact CD2-CD1 3.42Å; Y223-L273 VanDerWaalsContact CD2-CD1 3.42Å; Y223-L273 HydrophobicContact CD2-CG 4.49Å; Y223-L273 HydrophobicContact CE1-CB 3.96Å; Y223-L273 HydrophobicContact CE2-CB 4.1Å; Y223-L273 HydrophobicContact CE2-CD1 3.84Å; Y223-L273 HydrophobicContact CG-CB 4.42Å; Y223-L273 HydrophobicContact CG-CD1 3.7Å; Y223-L273 VanDerWaalsContact CZ-CA 3.48Å; Y223-L273 PolarHBondContact OH-N 3.5Å; Y223-K276 HydrophobicContact CE2-CB 3.97Å; Y223-K276 HydrophobicContact CE2-CG 4.23Å |
| 224 | P | 90.6 | Very high | 90.2 | Very high | 26 Ų | 26 | 23.1 Ų | 23.1 | 17% | 0.169 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -55.7 | -40.2 | 176.4 | -26.4 | 36.2 | 0 | 0 | 0 | 112.4 | T227 M228 L257 L269 F270 | P224-T227 PolarHBondContact O-N 2.75Å; P224-M228 WeakPolarHBondContact O-CG 3.45Å; P224-M228 PolarHBondContact O-N 3.15Å; P224-L257 HydrophobicContact CB-CD2 4.02Å; P224-L269 HydrophobicContact CB-CB 4.41Å; P224-L269 HydrophobicContact CG-CB 4.47Å; P224-F270 HydrophobicContact CG-CE1 4.27Å; P224-F270 HydrophobicContact CG-CZ 4.02Å |
| 225 | L | 90.6 | Very high | 89.1 | Confident | 42 Ų | 42 | 24.1 Ų | 24.1 | 22% | 0.22 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.9 | -39.5 | 175.6 | -68.3 | 174.9 | 0 | 0 | 0 | 112.2 | L175 L176 T222 Y223 T227 M228 Q229 L253 | L175-L225 HydrophobicContact CB-CD1 4.03Å; L175-L225 HydrophobicContact CD1-CD1 4.27Å; L175-L225 HydrophobicContact CD1-CD2 4.18Å; L176-L225 HydrophobicContact CD1-CB 4.28Å; L176-L225 HydrophobicContact CD2-CB 4.33Å; L176-L225 HydrophobicContact CG-CB 4.21Å; T222-L225 WeakPolarHBondContact O-CB 3.29Å; T222-L225 PolarHBondContact O-N 2.95Å; T222-L225 VanDerWaalsContact O-N 3.16Å; Y223-L225 PolarHBondContact O-N 2.87Å; L225-T227 VanDerWaalsContact C-N 3.29Å; L225-T227 PolarHBondContact O-N 2.94Å; L225-M228 PolarHBondContact O-N 2.84Å; L225-Q229 WeakPolarHBondContact O-CB 3.47Å; L225-Q229 PolarHBondContact O-N 3.25Å; L225-L253 HydrophobicContact CD2-CD1 4.4Å |
| 226 | Q | 90.9 | Very high | 87.7 | Confident | 20 Ų | 20 | 22.9 Ų | 22.9 | 9% | 0.093 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 175.8 | -64.3 | -177.1 | 36.3 | 0 | 0 | 111.6 | L176 T222 Y223 Q229 S230 | L176-Q226 HydrophobicContact CD1-CB 4.47Å; L176-Q226 HydrophobicContact CD1-CG 3.88Å; L176-Q226 HydrophobicContact CD2-CG 3.5Å; L176-Q226 VanDerWaalsContact CD2-CG 3.5Å; L176-Q226 HydrophobicContact CG-CG 4.39Å; T222-Q226 WeakPolarHBondContact O-CG 3.15Å; T222-Q226 PolarHBondContact O-N 2.9Å; T222-Q226 VanDerWaalsContact O-N 3.08Å; T222-Q226 PolarHBondContact OG1-NE2 3.3Å; Y223-Q226 WeakPolarHBondContact O-CB 3.19Å; Y223-Q226 PolarHBondContact O-N 2.92Å; Q226-Q229 PolarHBondContact O-N 3.43Å; Q226-S230 PolarHBondContact O-N 2.9Å; Q226-S230 PolarHBondContact O-OG 3.03Å |
| 227 | T | 88.7 | Confident | 86 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63 | -48.8 | 176.2 | -63.8 | 0 | 0 | 0 | 0 | 110.8 | Q39 Y223 P224 L225 Q229 S230 V231 L269 | Q39-T227 HydrophobicContact CB-CG2 4.38Å; Q39-T227 HydrophobicContact CG-CG2 4.3Å; Y223-T227 WeakPolarHBondContact CE1-OG1 3.15Å; Y223-T227 PolarHBondContact O-N 3.21Å; Y223-T227 PolarHBondContact O-OG1 3.2Å; P224-T227 PolarHBondContact O-N 2.75Å; L225-T227 VanDerWaalsContact C-N 3.29Å; L225-T227 PolarHBondContact O-N 2.94Å; T227-Q229 VanDerWaalsContact C-N 3.32Å; T227-Q229 PolarHBondContact O-N 2.66Å; T227-S230 PolarHBondContact O-N 3.43Å; T227-V231 WeakPolarHBondContact O-CG2 3.13Å; T227-V231 PolarHBondContact O-N 3.34Å; T227-V231 VanDerWaalsContact O-N 3.17Å; T227-L269 PolarHBondContact OG1-O 2.92Å |
| 228 | M | 88 | Confident | 83.9 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -39.5 | 175.8 | -65.1 | -59.2 | 98.1 | 0 | 0 | 112.4 | P224 L225 S230 V231 L232 L253 L256 L257 L269 | P224-M228 WeakPolarHBondContact O-CG 3.45Å; P224-M228 PolarHBondContact O-N 3.15Å; L225-M228 PolarHBondContact O-N 2.84Å; M228-S230 PolarHBondContact O-N 3.19Å; M228-V231 PolarHBondContact O-N 3.21Å; M228-L232 WeakPolarHBondContact O-CB 3.36Å; M228-L232 WeakPolarHBondContact O-CG 3.38Å; M228-L232 PolarHBondContact O-N 2.84Å; M228-L253 HydrophobicContact CB-CD2 3.89Å; M228-L253 HydrophobicContact CG-CD2 4.43Å; M228-L256 HydrophobicContact SD-CB 3.56Å; M228-L256 VanDerWaalsContact SD-CB 3.56Å; M228-L257 HydrophobicContact CE-CD2 4.22Å; M228-L257 HydrophobicContact CG-CD2 3.48Å; M228-L257 VanDerWaalsContact CG-CD2 3.48Å; M228-L257 HydrophobicContact CG-CG 3.8Å; M228-L257 HydrophobicContact SD-CD2 3.87Å; M228-L257 HydrophobicContact SD-CG 4.03Å; M228-L269 HydrophobicContact CE-CD2 4.35Å |
| 229 | Q | 89.1 | Confident | 81.8 | Confident | 29 Ų | 29 | 31.6 Ų | 31.6 | 14% | 0.136 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.8 | -48.1 | 176.5 | -176.7 | -172.6 | -67.2 | 0 | 0 | 111.6 | P172 S173 L176 L225 Q226 T227 V231 L232 R233 | P172-Q229 HydrophobicContact CB-CB 4.13Å; P172-Q229 HydrophobicContact CG-CB 4.06Å; P172-Q229 HydrophobicContact CG-CG 4.38Å; S173-Q229 PolarHBondContact OG-OE1 3.33Å; L176-Q229 HydrophobicContact CD1-CB 4.25Å; L225-Q229 WeakPolarHBondContact O-CB 3.47Å; L225-Q229 PolarHBondContact O-N 3.25Å; Q226-Q229 PolarHBondContact O-N 3.43Å; T227-Q229 VanDerWaalsContact C-N 3.32Å; T227-Q229 PolarHBondContact O-N 2.66Å; Q229-V231 VanDerWaalsContact C-N 3.32Å; Q229-V231 PolarHBondContact O-N 3.17Å; Q229-L232 PolarHBondContact O-N 2.97Å; Q229-R233 HydrophobicContact CG-CG 4.44Å; Q229-R233 VanDerWaalsContact NE2-NH1 3.11Å; Q229-R233 VanDerWaalsContact NE2-NH2 3.18Å; Q229-R233 WeakPolarHBondContact O-CB 3.2Å; Q229-R233 VanDerWaalsContact O-CG 3.24Å; Q229-R233 WeakPolarHBondContact O-CG 3.2Å; Q229-R233 PolarHBondContact O-N 3.05Å |
| 230 | S | 88.2 | Confident | 79.6 | Confident | 8 Ų | 8 | 37.2 Ų | 37.2 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 179.8 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | Q39 Q226 T227 M228 F234 | Q39-S230 PolarHBondContact OE1-OG 2.93Å; Q226-S230 PolarHBondContact O-N 2.9Å; Q226-S230 PolarHBondContact O-OG 3.03Å; T227-S230 PolarHBondContact O-N 3.43Å; M228-S230 PolarHBondContact O-N 3.19Å; S230-F234 PolarHBondContact O-N 3.18Å |
| 231 | V | 86.3 | Confident | 77.3 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.8 | -47.6 | 178.7 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | Q39 T227 M228 Q229 F234 G235 V237 | Q39-V231 WeakPolarHBondContact O-CG2 3.32Å; T227-V231 WeakPolarHBondContact O-CG2 3.13Å; T227-V231 PolarHBondContact O-N 3.34Å; T227-V231 VanDerWaalsContact O-N 3.17Å; M228-V231 PolarHBondContact O-N 3.21Å; Q229-V231 VanDerWaalsContact C-N 3.32Å; Q229-V231 PolarHBondContact O-N 3.17Å; V231-F234 PolarHBondContact O-N 3.41Å; V231-G235 PolarHBondContact O-N 3.16Å; V231-G235 VanDerWaalsContact O-N 3.16Å; V231-V237 HydrophobicContact CG1-CG2 3.59Å |
| 232 | L | 85.7 | Confident | 75.1 | Confident | 25 Ų | 25 | 44.5 Ų | 44.5 | 13% | 0.131 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 177.4 | -75.1 | 173 | 0 | 0 | 0 | 111.9 | N168 P172 M228 Q229 F234 G235 L253 L256 | N168-L232 VanDerWaalsContact CB-O 3.27Å; N168-L232 WeakPolarHBondContact CB-O 3.2Å; P172-L232 HydrophobicContact CG-CD1 4.03Å; M228-L232 WeakPolarHBondContact O-CB 3.36Å; M228-L232 WeakPolarHBondContact O-CG 3.38Å; M228-L232 PolarHBondContact O-N 2.84Å; Q229-L232 PolarHBondContact O-N 2.97Å; L232-F234 VanDerWaalsContact C-N 3.27Å; L232-F234 PolarHBondContact O-N 2.7Å; L232-G235 WeakPolarHBondContact O-CA 3.5Å; L232-G235 PolarHBondContact O-N 3.25Å; L232-G235 VanDerWaalsContact O-N 3.07Å; L232-L253 HydrophobicContact CD1-CD2 3.51Å; L232-L256 HydrophobicContact CD2-CD1 3.68Å; L232-L256 HydrophobicContact CG-CD1 4.09Å |
| 233 | R | 86.1 | Confident | 73 | Confident | 18 Ų | 18 | 53.2 Ų | 53.2 | 7% | 0.068 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.6 | -33.1 | 177.2 | -74.8 | 177.5 | 179.3 | -171.4 | -1.5 | 112.6 | V125 T128 R129 N168 S173 Q229 G235 | V125-R233 HydrophobicContact CG2-CB 4.26Å; V125-R233 HydrophobicContact CG2-CG 3.99Å; T128-R233 HydrophobicContact CG2-CB 4.09Å; R129-R233 PolarHBondContact NE-O 3.1Å; N168-R233 WeakPolarHBondContact O-CG 3.27Å; S173-R233 PolarHBondContact OG-NH2 2.81Å; Q229-R233 HydrophobicContact CG-CG 4.44Å; Q229-R233 VanDerWaalsContact NE2-NH1 3.11Å; Q229-R233 VanDerWaalsContact NE2-NH2 3.18Å; Q229-R233 WeakPolarHBondContact O-CB 3.2Å; Q229-R233 VanDerWaalsContact O-CG 3.24Å; Q229-R233 WeakPolarHBondContact O-CG 3.2Å; Q229-R233 PolarHBondContact O-N 3.05Å; R233-G235 VanDerWaalsContact C-N 3.33Å |
| 234 | F | 83.4 | Confident | 71.1 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.9 | -37.2 | 173.1 | -177.1 | -117.2 | 0 | 0 | 0 | 111.8 | V40 T128 R129 L132 F137 I142 S230 V231 L232 Q236 | V40-F234 HydrophobicContact CG1-CB 4.25Å; V40-F234 HydrophobicContact CG1-CD1 3.36Å; V40-F234 HydrophobicContact CG1-CE1 3.74Å; V40-F234 HydrophobicContact CG1-CG 3.82Å; V40-F234 HydrophobicContact CG1-CZ 4.49Å; V40-F234 HydrophobicContact CG2-CB 4.24Å; T128-F234 HydrophobicContact CG2-CB 4.35Å; R129-F234 HydrophobicContact CG-CD2 4.49Å; R129-F234 PolarHBondContact NE-O 3Å; L132-F234 HydrophobicContact CB-CD2 3.82Å; L132-F234 HydrophobicContact CB-CE2 3.61Å; L132-F234 HydrophobicContact CD1-CB 4.05Å; L132-F234 HydrophobicContact CD1-CD2 3.36Å; L132-F234 HydrophobicContact CD1-CE2 3.94Å; L132-F234 HydrophobicContact CD1-CG 3.81Å; L132-F234 HydrophobicContact CG-CD2 4.24Å; L132-F234 HydrophobicContact CG-CE2 4.42Å; F137-F234 HydrophobicContact CE2-CZ 4.03Å; F137-F234 HydrophobicContact CZ-CE2 4.31Å; F137-F234 AromaticContact CZ-CZ 3.98Å; F137-F234 HydrophobicContact CZ-CZ 3.98Å; I142-F234 HydrophobicContact CD1-CE1 3.98Å; I142-F234 HydrophobicContact CG1-CE1 4.14Å; I142-F234 HydrophobicContact CG2-CE1 3.7Å; I142-F234 HydrophobicContact CG2-CZ 3.65Å; S230-F234 PolarHBondContact O-N 3.18Å; V231-F234 PolarHBondContact O-N 3.41Å; L232-F234 VanDerWaalsContact C-N 3.27Å; L232-F234 PolarHBondContact O-N 2.7Å; F234-Q236 VanDerWaalsContact C-N 3.29Å; F234-Q236 HydrophobicContact CD1-CB 3.96Å; F234-Q236 HydrophobicContact CD1-CG 4.16Å; F234-Q236 HydrophobicContact CE1-CB 3.66Å; F234-Q236 HydrophobicContact CE1-CG 3.75Å; F234-Q236 HydrophobicContact CZ-CB 4.4Å; F234-Q236 HydrophobicContact CZ-CG 4.01Å; F234-Q236 PolarHBondContact O-N 3.15Å |
| 235 | G | 68.6 | Low | 69.7 | Low | 21 Ų | 21 | 61.5 Ų | 61.5 | 22% | 0.216 | 34% | 0.344 | C | S | . | . | trans | 73.6 | 9.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | V231 L232 R233 | V231-G235 PolarHBondContact O-N 3.16Å; V231-G235 VanDerWaalsContact O-N 3.16Å; L232-G235 WeakPolarHBondContact O-CA 3.5Å; L232-G235 PolarHBondContact O-N 3.25Å; L232-G235 VanDerWaalsContact O-N 3.07Å; R233-G235 VanDerWaalsContact C-N 3.33Å | ||
| 236 | Q | 64.3 | Low | 68.3 | Low | 27 Ų | 27 | 65.4 Ų | 65.4 | 13% | 0.126 | 37% | 0.365 | C | S | . | . | trans | -96.5 | 11.8 | 175.6 | -61 | -160.1 | -5.5 | 0 | 0 | 114.2 | I142 R143 F234 | I142-Q236 VanDerWaalsContact CA-OE1 3.32Å; R143-Q236 PolarHBondContact O-NE2 2.97Å; R143-Q236 PolarHBondContact O-OE1 3.28Å; R143-Q236 VanDerWaalsContact O-OE1 3.12Å; F234-Q236 VanDerWaalsContact C-N 3.29Å; F234-Q236 HydrophobicContact CD1-CB 3.96Å; F234-Q236 HydrophobicContact CD1-CG 4.16Å; F234-Q236 HydrophobicContact CE1-CB 3.66Å; F234-Q236 HydrophobicContact CE1-CG 3.75Å; F234-Q236 HydrophobicContact CZ-CB 4.4Å; F234-Q236 HydrophobicContact CZ-CG 4.01Å; F234-Q236 PolarHBondContact O-N 3.15Å | ||
| 237 | V | 57 | Low | 67 | Low | 61 Ų | 61 | 70.2 Ų | 70.2 | 37% | 0.37 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -86.5 | 116.5 | 170.3 | -175.9 | 0 | 0 | 0 | 0 | 106.9 | V231 T239 L256 | V231-V237 HydrophobicContact CG1-CG2 3.59Å; V237-T239 PolarHBondContact O-N 3.33Å; V237-T239 PolarHBondContact O-OG1 3.13Å; V237-T239 VanDerWaalsContact O-OG1 3.06Å; V237-L256 HydrophobicContact CG1-CD2 4.28Å |
| 238 | N | 49.8 | Very low | 66.1 | Low | 146 Ų | 146 | 71.3 Ų | 71.3 | 78% | 0.781 | 40% | 0.398 | S | S | * | . | trans | -54.5 | 88 | 174.4 | -72.2 | -30.9 | 0 | 0 | 0 | 109.7 | ||||
| 239 | T | 49.9 | Very low | 65.4 | Low | 59 Ų | 59 | 73 Ų | 73 | 36% | 0.362 | 41% | 0.41 | S | S | . | . | trans | -102 | 124.7 | 171 | 22.1 | 0 | 0 | 0 | 0 | 105.6 | V237 T241 T252 | V237-T239 PolarHBondContact O-N 3.33Å; V237-T239 PolarHBondContact O-OG1 3.13Å; V237-T239 VanDerWaalsContact O-OG1 3.06Å; T239-T241 PolarHBondContact O-N 3.23Å; T239-T241 VanDerWaalsContact O-N 3.11Å; T239-T252 HydrophobicContact CG2-CG2 3.9Å | ||
| 240 | P | 45.3 | Very low | 64.7 | Low | 119 Ų | 119 | 75.5 Ų | 75.5 | 77% | 0.773 | 42% | 0.424 | S | S | * | . | trans | -58.3 | 122.1 | 178.4 | 21.4 | -29 | 0 | 0 | 0 | 108.3 | E242 | P240-E242 PolarHBondContact O-N 3Š| ||
| 241 | T | 45.6 | Very low | 64.2 | Low | 151 Ų | 151 | 81.5 Ų | 81.5 | 93% | 0.926 | 45% | 0.451 | S | S | * | . | trans | -70.5 | 68.6 | -176.5 | -37.5 | 0 | 0 | 0 | 0 | 110.1 | T239 | T239-T241 PolarHBondContact O-N 3.23Å; T239-T241 VanDerWaalsContact O-N 3.11Å | ||
| 242 | E | 46.2 | Very low | 63.8 | Low | 166 Ų | 166 | 83.8 Ų | 83.8 | 78% | 0.776 | 47% | 0.466 | S | S | * | . | trans | -92.1 | 146.3 | 173.3 | -141.4 | 177.9 | -170.8 | 0 | 0 | 110.2 | P240 S244 | P240-E242 PolarHBondContact O-N 3Å; E242-S244 PolarHBondContact O-N 3.45Å | ||
| 243 | K | 47.6 | Very low | 63.7 | Low | 189 Ų | 189 | 83 Ų | 83 | 82% | 0.822 | 46% | 0.461 | S | S | * | . | trans | -48.8 | 133 | -171.2 | -74.4 | 174.1 | 176.5 | 175 | 0 | 111.7 | T245 S248 | K243-T245 VanDerWaalsContact C-N 3.34Å; K243-T245 PolarHBondContact O-N 3.25Å; K243-S248 PolarHBondContact O-OG 2.92Å; K243-S248 VanDerWaalsContact O-OG 3.13Å | ||
| 244 | S | 52.3 | Low | 63.5 | Low | 115 Ų | 115 | 88.3 Ų | 88.3 | 80% | 0.804 | 49% | 0.487 | S | S | * | . | trans | -73.3 | 75.5 | -169.8 | 59.1 | 0 | 0 | 0 | 0 | 113 | E242 | E242-S244 PolarHBondContact O-N 3.45Š| ||
| 245 | T | 60.1 | Low | 63.5 | Low | 85 Ų | 85 | 89.3 Ų | 89.3 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | trans | -85.8 | 148.1 | 165.4 | -41.2 | 0 | 0 | 0 | 0 | 108.7 | K243 L247 S248 S249 | K243-T245 VanDerWaalsContact C-N 3.34Å; K243-T245 PolarHBondContact O-N 3.25Å; T245-L247 PolarHBondContact O-N 3.1Å; T245-L247 VanDerWaalsContact O-N 3.17Å; T245-S248 PolarHBondContact N-OG 3.2Å; T245-S248 VanDerWaalsContact N-OG 3.11Å; T245-S248 PolarHBondContact O-N 3.45Å; T245-S248 VanDerWaalsContact O-N 3.07Å; T245-S248 PolarHBondContact O-OG 3.23Å; T245-S249 PolarHBondContact O-N 3.26Å; T245-S249 PolarHBondContact O-OG 2.98Å | ||
| 246 | L | 60.8 | Low | 64 | Low | 124 Ų | 124 | 89.7 Ų | 89.7 | 65% | 0.649 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -57.1 | -32.9 | 177.2 | -70.1 | -177 | 0 | 0 | 0 | 112.3 | F171 S249 L250 | F171-L246 HydrophobicContact CD2-CD2 4.27Å; L246-S249 WeakPolarHBondContact O-CB 3.47Å; L246-S249 PolarHBondContact O-N 2.93Å; L246-L250 PolarHBondContact O-N 3.48Å |
| 247 | L | 63.9 | Low | 65 | Low | 121 Ų | 121 | 90.5 Ų | 90.5 | 63% | 0.634 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.2 | -41.3 | 175.6 | -66.4 | 175 | 0 | 0 | 0 | 112.6 | T245 S249 L250 Q251 | T245-L247 PolarHBondContact O-N 3.1Å; T245-L247 VanDerWaalsContact O-N 3.17Å; L247-S249 VanDerWaalsContact C-N 3.31Å; L247-S249 PolarHBondContact O-N 3.25Å; L247-L250 PolarHBondContact O-N 2.99Å; L247-Q251 WeakPolarHBondContact O-CG 3.29Å; L247-Q251 PolarHBondContact O-N 3.28Å |
| 248 | S | 69.4 | Low | 66.3 | Low | 23 Ų | 23 | 90.4 Ų | 90.4 | 16% | 0.161 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -70 | -31.5 | 176.3 | 59 | 0 | 0 | 0 | 0 | 111.6 | K243 T245 Q251 T252 | K243-S248 PolarHBondContact O-OG 2.92Å; K243-S248 VanDerWaalsContact O-OG 3.13Å; T245-S248 PolarHBondContact N-OG 3.2Å; T245-S248 VanDerWaalsContact N-OG 3.11Å; T245-S248 PolarHBondContact O-N 3.45Å; T245-S248 VanDerWaalsContact O-N 3.07Å; T245-S248 PolarHBondContact O-OG 3.23Å; S248-Q251 PolarHBondContact O-N 3.38Å; S248-T252 VanDerWaalsContact O-CB 3.3Å; S248-T252 WeakPolarHBondContact O-CB 3.42Å; S248-T252 PolarHBondContact O-N 3.45Å; S248-T252 PolarHBondContact O-OG1 2.96Å |
| 249 | S | 73.6 | Confident | 67.9 | Low | 36 Ų | 36 | 87.8 Ų | 87.8 | 25% | 0.252 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 172.3 | -61 | 0 | 0 | 0 | 0 | 112.3 | T245 L246 L247 T252 L253 | T245-S249 PolarHBondContact O-N 3.26Å; T245-S249 PolarHBondContact O-OG 2.98Å; L246-S249 WeakPolarHBondContact O-CB 3.47Å; L246-S249 PolarHBondContact O-N 2.93Å; L247-S249 VanDerWaalsContact C-N 3.31Å; L247-S249 PolarHBondContact O-N 3.25Å; S249-T252 PolarHBondContact O-N 2.99Å; S249-L253 PolarHBondContact O-N 3.25Å |
| 250 | L | 75.5 | Confident | 69.4 | Low | 83 Ų | 83 | 85.3 Ų | 85.3 | 44% | 0.435 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 174.2 | -86 | 171 | 0 | 0 | 0 | 112.1 | F171 L246 L247 T252 L253 Q254 | F171-L250 HydrophobicContact CE1-CD2 3.37Å; F171-L250 HydrophobicContact CE1-CG 3.77Å; F171-L250 HydrophobicContact CE2-CG 4.35Å; F171-L250 HydrophobicContact CZ-CD1 4.24Å; F171-L250 HydrophobicContact CZ-CD2 3.37Å; F171-L250 HydrophobicContact CZ-CG 3.53Å; L246-L250 PolarHBondContact O-N 3.48Å; L247-L250 PolarHBondContact O-N 2.99Å; L250-T252 VanDerWaalsContact C-N 3.29Å; L250-T252 PolarHBondContact O-N 3.49Å; L250-L253 PolarHBondContact O-N 3.2Å; L250-Q254 WeakPolarHBondContact O-CB 3.39Å; L250-Q254 PolarHBondContact O-N 3.15Å |
| 251 | Q | 76.9 | Confident | 71.3 | Confident | 133 Ų | 133 | 81.1 Ų | 81.1 | 62% | 0.621 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62 | -38.5 | 176.4 | -72.6 | 171.3 | -21.5 | 0 | 0 | 111.7 | L247 S248 Q254 G255 | L247-Q251 WeakPolarHBondContact O-CG 3.29Å; L247-Q251 PolarHBondContact O-N 3.28Å; S248-Q251 PolarHBondContact O-N 3.38Å; Q251-Q254 PolarHBondContact O-N 3.37Å; Q251-G255 PolarHBondContact O-N 3.4Å |
| 252 | T | 78.6 | Confident | 73.1 | Confident | 54 Ų | 54 | 83.8 Ų | 83.8 | 33% | 0.331 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.3 | -46.5 | 175.7 | -58.1 | 0 | 0 | 0 | 0 | 111 | T239 S248 S249 L250 G255 L256 | T239-T252 HydrophobicContact CG2-CG2 3.9Å; S248-T252 VanDerWaalsContact O-CB 3.3Å; S248-T252 WeakPolarHBondContact O-CB 3.42Å; S248-T252 PolarHBondContact O-N 3.45Å; S248-T252 PolarHBondContact O-OG1 2.96Å; S249-T252 PolarHBondContact O-N 2.99Å; L250-T252 VanDerWaalsContact C-N 3.29Å; L250-T252 PolarHBondContact O-N 3.49Å; T252-G255 PolarHBondContact O-N 2.97Å; T252-L256 HydrophobicContact CG2-CD1 4.08Å; T252-L256 HydrophobicContact CG2-CG 4.43Å; T252-L256 WeakPolarHBondContact O-CB 3.34Å; T252-L256 VanDerWaalsContact O-CG 3.24Å; T252-L256 WeakPolarHBondContact O-CG 3.46Å; T252-L256 PolarHBondContact O-N 3.28Å |
| 253 | L | 82.1 | Confident | 74.7 | Confident | 7 Ų | 7 | 83.3 Ų | 83.3 | 4% | 0.037 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 175.2 | -81.3 | -165.4 | 0 | 0 | 0 | 112.3 | F171 P172 L225 M228 L232 S249 L250 L256 L257 | F171-L253 HydrophobicContact CD1-CD1 3.39Å; F171-L253 HydrophobicContact CD1-CG 4.16Å; F171-L253 HydrophobicContact CE1-CD1 3.72Å; P172-L253 HydrophobicContact CB-CD1 4.09Å; P172-L253 HydrophobicContact CB-CD2 4.31Å; P172-L253 HydrophobicContact CG-CD1 4.49Å; P172-L253 HydrophobicContact CG-CD2 4.15Å; L225-L253 HydrophobicContact CD2-CD1 4.4Å; M228-L253 HydrophobicContact CB-CD2 3.89Å; M228-L253 HydrophobicContact CG-CD2 4.43Å; L232-L253 HydrophobicContact CD1-CD2 3.51Å; S249-L253 PolarHBondContact O-N 3.25Å; L250-L253 PolarHBondContact O-N 3.2Å; L253-L256 PolarHBondContact O-N 3.42Å; L253-L257 WeakPolarHBondContact O-CB 3.24Å; L253-L257 VanDerWaalsContact O-CG 3.29Å; L253-L257 WeakPolarHBondContact O-CG 3.41Å; L253-L257 PolarHBondContact O-N 3.14Å |
| 254 | Q | 83.6 | Confident | 76.1 | Confident | 130 Ų | 130 | 77.3 Ų | 77.3 | 61% | 0.607 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63 | -44.4 | 178.7 | -174.6 | 179.4 | -3 | 0 | 0 | 110.8 | L250 Q251 L257 V258 | L250-Q254 WeakPolarHBondContact O-CB 3.39Å; L250-Q254 PolarHBondContact O-N 3.15Å; Q251-Q254 PolarHBondContact O-N 3.37Å; Q254-L257 PolarHBondContact O-N 2.9Å; Q254-V258 HydrophobicContact CG-CG2 4.37Å; Q254-V258 WeakPolarHBondContact O-CB 2.99Å; Q254-V258 VanDerWaalsContact O-CG2 3.24Å; Q254-V258 WeakPolarHBondContact O-CG2 3.42Å; Q254-V258 PolarHBondContact O-N 3.37Å |
| 255 | G | 82.2 | Confident | 77.5 | Confident | 26 Ų | 26 | 73.4 Ų | 73.4 | 27% | 0.268 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q251 T252 V258 N259 | Q251-G255 PolarHBondContact O-N 3.4Å; T252-G255 PolarHBondContact O-N 2.97Å; G255-V258 PolarHBondContact O-N 2.99Å; G255-N259 WeakPolarHBondContact O-CB 3.19Å; G255-N259 PolarHBondContact O-N 3.43Å; G255-N259 PolarHBondContact O-ND2 2.96Å |
| 256 | L | 80.4 | Confident | 78.6 | Confident | 28 Ų | 28 | 74.1 Ų | 74.1 | 15% | 0.147 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64 | -42.5 | 176.2 | -71.5 | 173.7 | 0 | 0 | 0 | 112.3 | M228 L232 V237 T252 L253 R260 | M228-L256 HydrophobicContact SD-CB 3.56Å; M228-L256 VanDerWaalsContact SD-CB 3.56Å; L232-L256 HydrophobicContact CD2-CD1 3.68Å; L232-L256 HydrophobicContact CG-CD1 4.09Å; V237-L256 HydrophobicContact CG1-CD2 4.28Å; T252-L256 HydrophobicContact CG2-CD1 4.08Å; T252-L256 HydrophobicContact CG2-CG 4.43Å; T252-L256 WeakPolarHBondContact O-CB 3.34Å; T252-L256 VanDerWaalsContact O-CG 3.24Å; T252-L256 WeakPolarHBondContact O-CG 3.46Å; T252-L256 PolarHBondContact O-N 3.28Å; L253-L256 PolarHBondContact O-N 3.42Å; L256-R260 WeakPolarHBondContact O-CB 3.41Å; L256-R260 PolarHBondContact O-N 2.93Å |
| 257 | L | 84.1 | Confident | 79.5 | Confident | 44 Ų | 44 | 71.7 Ų | 71.7 | 23% | 0.23 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.8 | -48.1 | 175.9 | -75.9 | 172.1 | 0 | 0 | 0 | 111.4 | P224 M228 L253 Q254 R260 A261 L269 | P224-L257 HydrophobicContact CB-CD2 4.02Å; M228-L257 HydrophobicContact CE-CD2 4.22Å; M228-L257 HydrophobicContact CG-CD2 3.48Å; M228-L257 VanDerWaalsContact CG-CD2 3.48Å; M228-L257 HydrophobicContact CG-CG 3.8Å; M228-L257 HydrophobicContact SD-CD2 3.87Å; M228-L257 HydrophobicContact SD-CG 4.03Å; L253-L257 WeakPolarHBondContact O-CB 3.24Å; L253-L257 VanDerWaalsContact O-CG 3.29Å; L253-L257 WeakPolarHBondContact O-CG 3.41Å; L253-L257 PolarHBondContact O-N 3.14Å; Q254-L257 PolarHBondContact O-N 2.9Å; L257-R260 PolarHBondContact O-N 2.83Å; L257-A261 WeakPolarHBondContact O-CB 3.34Å; L257-A261 PolarHBondContact O-N 3.07Å; L257-L269 HydrophobicContact CD2-CD2 3.52Å |
| 258 | V | 84.6 | Confident | 80.2 | Confident | 60 Ų | 60 | 66 Ų | 66 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 179.6 | 172 | 0 | 0 | 0 | 0 | 110.8 | Q254 G255 A261 R262 | Q254-V258 HydrophobicContact CG-CG2 4.37Å; Q254-V258 WeakPolarHBondContact O-CB 2.99Å; Q254-V258 VanDerWaalsContact O-CG2 3.24Å; Q254-V258 WeakPolarHBondContact O-CG2 3.42Å; Q254-V258 PolarHBondContact O-N 3.37Å; G255-V258 PolarHBondContact O-N 2.99Å; V258-A261 PolarHBondContact O-N 2.99Å; V258-R262 HydrophobicContact CG1-CG 4.35Å; V258-R262 WeakPolarHBondContact O-CB 3.3Å; V258-R262 WeakPolarHBondContact O-CG 3Å; V258-R262 PolarHBondContact O-N 3.35Å |
| 259 | N | 82.9 | Confident | 80.9 | Confident | 91 Ų | 91 | 65.9 Ų | 65.9 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 178.5 | -72.8 | -17 | 0 | 0 | 0 | 111.3 | G255 R262 K263 | G255-N259 WeakPolarHBondContact O-CB 3.19Å; G255-N259 PolarHBondContact O-N 3.43Å; G255-N259 PolarHBondContact O-ND2 2.96Å; N259-R262 PolarHBondContact O-N 2.96Å; N259-K263 WeakPolarHBondContact O-CB 3.1Å; N259-K263 WeakPolarHBondContact O-CG 3.47Å; N259-K263 PolarHBondContact O-N 2.9Å |
| 260 | R | 81.5 | Confident | 81.6 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 2% | 0.023 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 176.4 | -176.4 | 170.3 | -75.3 | -152.3 | 0.5 | 111.7 | Q39 E42 L256 L257 R262 K263 H264 L269 | Q39-R260 PolarHBondContact O-NH1 2.71Å; Q39-R260 PolarHBondContact O-NH2 2.97Å; E42-R260 VanDerWaalsContact CG-NH2 3.28Å; E42-R260 IonicContact OE1-CZ 3.63Å; E42-R260 IonicContact OE1-NE 2.74Å; E42-R260 PolarHBondContact OE1-NE 3.47Å; E42-R260 IonicContact OE1-NH2 2.68Å; E42-R260 PolarHBondContact OE1-NH2 3.43Å; L256-R260 WeakPolarHBondContact O-CB 3.41Å; L256-R260 PolarHBondContact O-N 2.93Å; L257-R260 PolarHBondContact O-N 2.83Å; R260-R262 VanDerWaalsContact C-N 3.34Å; R260-K263 PolarHBondContact O-N 3.27Å; R260-H264 PolarHBondContact O-N 2.83Å; R260-L269 HydrophobicContact CB-CD2 4.36Å; R260-L269 HydrophobicContact CG-CD2 4.24Å |
| 261 | A | 84.5 | Confident | 82.1 | Confident | 32 Ų | 32 | 64.7 Ų | 64.7 | 26% | 0.264 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.2 | -36.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L257 V258 G265 L269 | L257-A261 WeakPolarHBondContact O-CB 3.34Å; L257-A261 PolarHBondContact O-N 3.07Å; V258-A261 PolarHBondContact O-N 2.99Å; A261-G265 CarbonylContact O-C 3.43Å; A261-G265 WeakPolarHBondContact O-CA 3.47Å; A261-G265 PolarHBondContact O-N 2.91Å; A261-L269 HydrophobicContact CB-CD1 4.48Å |
| 262 | R | 83.6 | Confident | 82.5 | Confident | 207 Ų | 207 | 58.6 Ų | 58.6 | 78% | 0.781 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -70.6 | -42.6 | 174.9 | -76.8 | -176 | -179.4 | -164.9 | 1.3 | 112.4 | V258 N259 R260 | V258-R262 HydrophobicContact CG1-CG 4.35Å; V258-R262 WeakPolarHBondContact O-CB 3.3Å; V258-R262 WeakPolarHBondContact O-CG 3Å; V258-R262 PolarHBondContact O-N 3.35Å; N259-R262 PolarHBondContact O-N 2.96Å; R260-R262 VanDerWaalsContact C-N 3.34Å |
| 263 | K | 80.2 | Confident | 83.1 | Confident | 156 Ų | 156 | 57.4 Ų | 57.4 | 68% | 0.678 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -72.9 | -40.4 | -178.2 | -75.4 | -174.3 | 177.5 | -174.6 | 0 | 113.8 | N259 R260 | N259-K263 WeakPolarHBondContact O-CB 3.1Å; N259-K263 WeakPolarHBondContact O-CG 3.47Å; N259-K263 PolarHBondContact O-N 2.9Å; R260-K263 PolarHBondContact O-N 3.27Å |
| 264 | H | 77 | Confident | 83.4 | Confident | 63 Ų | 63 | 61.5 Ų | 61.5 | 29% | 0.292 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -124.5 | 7 | -170.9 | -65.4 | -68.5 | 0 | 0 | 0 | 114.1 | E42 R260 G268 | E42-H264 PolarHBondContact O-CE1 3.16Å; E42-H264 IonicContact OE2-CD2 3.18Å; E42-H264 IonicContact OE2-NE2 3.37Å; R260-H264 PolarHBondContact O-N 2.83Å; H264-G268 PolarHBondContact O-N 2.98Å |
| 265 | G | 83.1 | Confident | 83.8 | Confident | 32 Ų | 32 | 55.3 Ų | 55.3 | 33% | 0.33 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | 70.5 | -178.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A261 S267 G268 | A261-G265 CarbonylContact O-C 3.43Å; A261-G265 WeakPolarHBondContact O-CA 3.47Å; A261-G265 PolarHBondContact O-N 2.91Å; G265-S267 PolarHBondContact O-N 3.35Å; G265-G268 PolarHBondContact O-N 2.68Å |
| 266 | V | 81.6 | Confident | 84.2 | Confident | 100 Ų | 100 | 55.9 Ų | 55.9 | 61% | 0.606 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.9 | -31.9 | 175.8 | -178 | 0 | 0 | 0 | 0 | 111.3 | G268 L269 F270 | V266-G268 PolarHBondContact O-N 3.11Å; V266-L269 WeakPolarHBondContact O-CB 3.15Å; V266-L269 PolarHBondContact O-N 2.89Å; V266-L269 VanDerWaalsContact O-N 3.13Å; V266-F270 HydrophobicContact CG1-CD2 4.34Å; V266-F270 HydrophobicContact CG1-CE2 3.96Å; V266-F270 WeakPolarHBondContact O-CD2 3.31Å |
| 267 | S | 79.9 | Confident | 84.7 | Confident | 74 Ų | 74 | 56.7 Ų | 56.7 | 52% | 0.517 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.4 | -29.3 | 174.7 | -176 | 0 | 0 | 0 | 0 | 113 | G265 L269 F270 K271 | G265-S267 PolarHBondContact O-N 3.35Å; S267-L269 VanDerWaalsContact C-N 3.27Å; S267-L269 PolarHBondContact O-N 2.83Å; S267-F270 PolarHBondContact O-N 3.15Å; S267-F270 VanDerWaalsContact O-N 3.15Å; S267-K271 PolarHBondContact O-N 3.47Å |
| 268 | G | 79.4 | Confident | 85 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.3 | -31.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | H264 G265 V266 F270 | H264-G268 PolarHBondContact O-N 2.98Å; G265-G268 PolarHBondContact O-N 2.68Å; V266-G268 PolarHBondContact O-N 3.11Å; G268-F270 VanDerWaalsContact C-N 3.3Å; G268-F270 PolarHBondContact O-N 3.13Å |
| 269 | L | 83.5 | Confident | 85.3 | Confident | 20 Ų | 20 | 55.6 Ų | 55.6 | 11% | 0.105 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.9 | -27.3 | 178 | -63.3 | 172.1 | 0 | 0 | 0 | 112.3 | Y223 P224 T227 M228 L257 R260 A261 V266 S267 | Y223-L269 VanDerWaalsContact CD1-O 3.24Å; Y223-L269 WeakPolarHBondContact CD1-O 3.48Å; Y223-L269 WeakPolarHBondContact CE1-O 3.11Å; P224-L269 HydrophobicContact CB-CB 4.41Å; P224-L269 HydrophobicContact CG-CB 4.47Å; T227-L269 PolarHBondContact OG1-O 2.92Å; M228-L269 HydrophobicContact CE-CD2 4.35Å; L257-L269 HydrophobicContact CD2-CD2 3.52Å; R260-L269 HydrophobicContact CB-CD2 4.36Å; R260-L269 HydrophobicContact CG-CD2 4.24Å; A261-L269 HydrophobicContact CB-CD1 4.48Å; V266-L269 WeakPolarHBondContact O-CB 3.15Å; V266-L269 PolarHBondContact O-N 2.89Å; V266-L269 VanDerWaalsContact O-N 3.13Å; S267-L269 VanDerWaalsContact C-N 3.27Å; S267-L269 PolarHBondContact O-N 2.83Å |
| 270 | F | 87.9 | Confident | 85.5 | Confident | 66 Ų | 66 | 52.7 Ų | 52.7 | 29% | 0.289 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 10 | -176.8 | -63.4 | -80.2 | 0 | 0 | 0 | 113.8 | I220 Y223 P224 V266 S267 G268 G272 L273 | I220-F270 HydrophobicContact CG2-CE1 4.37Å; Y223-F270 HydrophobicContact CD1-CB 4.42Å; Y223-F270 AromaticContact CD1-CD1 3.83Å; Y223-F270 HydrophobicContact CD1-CD1 3.83Å; Y223-F270 HydrophobicContact CD1-CG 4.44Å; Y223-F270 HydrophobicContact CG-CD1 4.25Å; P224-F270 HydrophobicContact CG-CE1 4.27Å; P224-F270 HydrophobicContact CG-CZ 4.02Å; V266-F270 HydrophobicContact CG1-CD2 4.34Å; V266-F270 HydrophobicContact CG1-CE2 3.96Å; V266-F270 WeakPolarHBondContact O-CD2 3.31Å; S267-F270 PolarHBondContact O-N 3.15Å; S267-F270 VanDerWaalsContact O-N 3.15Å; G268-F270 VanDerWaalsContact C-N 3.3Å; G268-F270 PolarHBondContact O-N 3.13Å; F270-G272 PolarHBondContact O-N 3.37Å; F270-L273 HydrophobicContact CB-CB 4.38Å; F270-L273 HydrophobicContact CB-CD2 4.47Å; F270-L273 HydrophobicContact CD1-CD2 3.94Å; F270-L273 WeakPolarHBondContact O-CB 3.37Å; F270-L273 PolarHBondContact O-N 3.37Å |
| 271 | K | 85.6 | Confident | 85.8 | Confident | 28 Ų | 28 | 55.3 Ų | 55.3 | 12% | 0.122 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 124.9 | 172.2 | -76.7 | -169 | 174.6 | -164.9 | 0 | 110.6 | L38 E42 Y223 S267 | L38-K271 HydrophobicContact CB-CB 4.33Å; E42-K271 PolarHBondContact O-NZ 3Å; Y223-K271 WeakPolarHBondContact CE1-O 3.4Å; Y223-K271 PolarHBondContact OH-O 2.86Å; S267-K271 PolarHBondContact O-N 3.47Å |
| 272 | G | 86.8 | Confident | 86.1 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 3.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y223 F270 E274 A275 K276 | Y223-G272 WeakPolarHBondContact OH-CA 3.32Å; Y223-G272 PolarHBondContact OH-O 2.98Å; F270-G272 PolarHBondContact O-N 3.37Å; G272-E274 VanDerWaalsContact C-N 3.3Å; G272-E274 PolarHBondContact O-N 3.42Å; G272-A275 PolarHBondContact O-N 3.34Å; G272-K276 PolarHBondContact O-N 3Å |
| 273 | L | 89.8 | Confident | 86.2 | Confident | 30 Ų | 30 | 48.6 Ų | 48.6 | 16% | 0.157 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 178.6 | 176.1 | 68.4 | 0 | 0 | 0 | 110.8 | T219 I220 Y223 F270 K276 L277 | T219-L273 HydrophobicContact CG2-CD1 4.32Å; I220-L273 HydrophobicContact CG1-CD1 4.13Å; I220-L273 HydrophobicContact CG1-CD2 4.13Å; Y223-L273 HydrophobicContact CD1-CB 4.23Å; Y223-L273 HydrophobicContact CD1-CD1 4.32Å; Y223-L273 HydrophobicContact CD2-CB 4.37Å; Y223-L273 HydrophobicContact CD2-CD1 3.42Å; Y223-L273 VanDerWaalsContact CD2-CD1 3.42Å; Y223-L273 HydrophobicContact CD2-CG 4.49Å; Y223-L273 HydrophobicContact CE1-CB 3.96Å; Y223-L273 HydrophobicContact CE2-CB 4.1Å; Y223-L273 HydrophobicContact CE2-CD1 3.84Å; Y223-L273 HydrophobicContact CG-CB 4.42Å; Y223-L273 HydrophobicContact CG-CD1 3.7Å; Y223-L273 VanDerWaalsContact CZ-CA 3.48Å; Y223-L273 PolarHBondContact OH-N 3.5Å; F270-L273 HydrophobicContact CB-CB 4.38Å; F270-L273 HydrophobicContact CB-CD2 4.47Å; F270-L273 HydrophobicContact CD1-CD2 3.94Å; F270-L273 WeakPolarHBondContact O-CB 3.37Å; F270-L273 PolarHBondContact O-N 3.37Å; L273-K276 PolarHBondContact O-N 3.22Å; L273-K276 VanDerWaalsContact O-N 3.17Å; L273-L277 HydrophobicContact CD1-CD1 4.09Å; L273-L277 HydrophobicContact CD1-CD2 4.45Å; L273-L277 HydrophobicContact CD1-CG 4.02Å; L273-L277 HydrophobicContact CD2-CD1 4.39Å; L273-L277 HydrophobicContact CG-CD1 3.92Å; L273-L277 HydrophobicContact CG-CG 4.22Å; L273-L277 WeakPolarHBondContact O-CG 3.42Å; L273-L277 PolarHBondContact O-N 3.03Å |
| 274 | E | 90.3 | Very high | 86.4 | Confident | 92 Ų | 92 | 43.3 Ų | 43.3 | 43% | 0.43 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -54.8 | -55.1 | 175.9 | -175.2 | -162.2 | -167.6 | 0 | 0 | 111.1 | T49 G272 K276 L277 L278 | T49-E274 WeakPolarHBondContact CB-OE2 3.38Å; T49-E274 PolarHBondContact N-OE2 3.09Å; T49-E274 VanDerWaalsContact OG1-CD 3.24Å; T49-E274 PolarHBondContact OG1-OE2 3.44Å; G272-E274 VanDerWaalsContact C-N 3.3Å; G272-E274 PolarHBondContact O-N 3.42Å; E274-K276 PolarHBondContact O-N 3.32Å; E274-L277 PolarHBondContact O-N 3.12Å; E274-L277 VanDerWaalsContact O-N 3.15Å; E274-L278 HydrophobicContact CG-CD1 3.99Å; E274-L278 WeakPolarHBondContact O-CB 3.42Å; E274-L278 WeakPolarHBondContact O-CG 3.35Å; E274-L278 PolarHBondContact O-N 3.37Å |
| 275 | A | 89.9 | Confident | 86.8 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.9 | -40.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R35 T49 G272 Q279 | R35-A275 HydrophobicContact CB-CB 3.92Å; T49-A275 HydrophobicContact CG2-CB 3.71Å; T49-A275 PolarHBondContact OG1-N 2.84Å; G272-A275 PolarHBondContact O-N 3.34Å; A275-Q279 WeakPolarHBondContact O-CB 3.49Å; A275-Q279 PolarHBondContact O-N 3.3Å |
| 276 | K | 91.1 | Very high | 87 | Confident | 39 Ų | 39 | 42.2 Ų | 42.2 | 17% | 0.17 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.5 | -44.3 | 177.5 | -177 | 49.5 | 173.1 | 177.5 | 0 | 112.7 | R35 T219 Y223 G272 L273 E274 T280 | R35-K276 HydrophobicContact CG-CB 4.25Å; R35-K276 VanDerWaalsContact NH1-CD 3.33Å; R35-K276 VanDerWaalsContact NH1-CE 3.25Å; T219-K276 HydrophobicContact CG2-CG 3.93Å; Y223-K276 HydrophobicContact CE2-CB 3.97Å; Y223-K276 HydrophobicContact CE2-CG 4.23Å; G272-K276 PolarHBondContact O-N 3Å; L273-K276 PolarHBondContact O-N 3.22Å; L273-K276 VanDerWaalsContact O-N 3.17Å; E274-K276 PolarHBondContact O-N 3.32Å; K276-T280 VanDerWaalsContact O-CB 3.32Å; K276-T280 WeakPolarHBondContact O-CB 3.25Å; K276-T280 PolarHBondContact O-N 2.84Å; K276-T280 PolarHBondContact O-OG1 3.46Å |
| 277 | L | 92 | Very high | 87.1 | Confident | 45 Ų | 45 | 41.1 Ų | 41.1 | 24% | 0.236 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.6 | -47.2 | 179.7 | -70 | 177.2 | 0 | 0 | 0 | 110.4 | A216 T219 L273 E274 Q279 T280 V281 | A216-L277 HydrophobicContact CB-CD2 3.84Å; T219-L277 HydrophobicContact CG2-CD2 4.22Å; L273-L277 HydrophobicContact CD1-CD1 4.09Å; L273-L277 HydrophobicContact CD1-CD2 4.45Å; L273-L277 HydrophobicContact CD1-CG 4.02Å; L273-L277 HydrophobicContact CD2-CD1 4.39Å; L273-L277 HydrophobicContact CG-CD1 3.92Å; L273-L277 HydrophobicContact CG-CG 4.22Å; L273-L277 WeakPolarHBondContact O-CG 3.42Å; L273-L277 PolarHBondContact O-N 3.03Å; E274-L277 PolarHBondContact O-N 3.12Å; E274-L277 VanDerWaalsContact O-N 3.15Å; L277-Q279 PolarHBondContact O-N 2.89Å; L277-T280 PolarHBondContact O-N 2.89Å; L277-V281 WeakPolarHBondContact O-CG2 3.49Å; L277-V281 PolarHBondContact O-N 3.31Å |
| 278 | L | 90.3 | Very high | 87.1 | Confident | 72 Ų | 72 | 41.4 Ų | 41.4 | 38% | 0.377 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -56.8 | -51.9 | 174.4 | -72.7 | 173.1 | 0 | 0 | 0 | 111.1 | L31 E274 T280 V281 L282 | L31-L278 HydrophobicContact CD1-CB 4.23Å; E274-L278 HydrophobicContact CG-CD1 3.99Å; E274-L278 WeakPolarHBondContact O-CB 3.42Å; E274-L278 WeakPolarHBondContact O-CG 3.35Å; E274-L278 PolarHBondContact O-N 3.37Å; L278-T280 VanDerWaalsContact C-N 3.28Å; L278-T280 PolarHBondContact O-N 3.06Å; L278-V281 PolarHBondContact O-N 3.47Å; L278-L282 HydrophobicContact CB-CD1 4.37Å; L278-L282 WeakPolarHBondContact O-CB 3.39Å; L278-L282 WeakPolarHBondContact O-CD1 3.37Å; L278-L282 WeakPolarHBondContact O-CG 3.22Å; L278-L282 PolarHBondContact O-N 2.72Å |
| 279 | Q | 90.1 | Very high | 87.3 | Confident | 9 Ų | 9 | 46 Ų | 46 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.2 | -46.9 | 177 | -177.2 | -162.8 | 21.3 | 0 | 0 | 111 | F28 L31 D32 A275 L277 T283 | F28-Q279 HydrophobicContact CB-CG 4.39Å; L31-Q279 HydrophobicContact CB-CB 3.9Å; L31-Q279 HydrophobicContact CB-CG 4.31Å; L31-Q279 HydrophobicContact CD1-CB 4.16Å; D32-Q279 PolarHBondContact OD1-NE2 3.41Å; A275-Q279 WeakPolarHBondContact O-CB 3.49Å; A275-Q279 PolarHBondContact O-N 3.3Å; L277-Q279 PolarHBondContact O-N 2.89Å; Q279-T283 WeakPolarHBondContact O-CB 3.37Å; Q279-T283 PolarHBondContact O-N 3.17Å; Q279-T283 PolarHBondContact O-OG1 3.35Å |
| 280 | T | 87.7 | Confident | 87.3 | Confident | 30 Ų | 30 | 47 Ų | 47 | 18% | 0.184 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.5 | -46.5 | -173.8 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | K215 K276 L277 L278 A284 | K215-T280 HydrophobicContact CG-CG2 3.58Å; K276-T280 VanDerWaalsContact O-CB 3.32Å; K276-T280 WeakPolarHBondContact O-CB 3.25Å; K276-T280 PolarHBondContact O-N 2.84Å; K276-T280 PolarHBondContact O-OG1 3.46Å; L277-T280 PolarHBondContact O-N 2.89Å; L278-T280 VanDerWaalsContact C-N 3.28Å; L278-T280 PolarHBondContact O-N 3.06Å; T280-A284 WeakPolarHBondContact O-CB 3.45Å; T280-A284 PolarHBondContact O-N 2.89Å; T280-A284 VanDerWaalsContact O-N 3.11Å |
| 281 | V | 88.1 | Confident | 86.8 | Confident | 61 Ų | 61 | 46.8 Ų | 46.8 | 37% | 0.37 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.5 | -46.3 | 179.5 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | L277 L278 A284 A285 | L277-V281 WeakPolarHBondContact O-CG2 3.49Å; L277-V281 PolarHBondContact O-N 3.31Å; L278-V281 PolarHBondContact O-N 3.47Å; V281-A284 PolarHBondContact O-N 3.03Å; V281-A285 WeakPolarHBondContact O-CB 3.45Å; V281-A285 PolarHBondContact O-N 3.49Å |
| 282 | L | 89.2 | Confident | 86.4 | Confident | 69 Ų | 69 | 48.9 Ų | 48.9 | 36% | 0.361 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.9 | -39.3 | -178.5 | -66.9 | 171.9 | 0 | 0 | 0 | 112.3 | F28 L31 L278 A285 L286 | F28-L282 HydrophobicContact CD1-CB 3.99Å; F28-L282 HydrophobicContact CD1-CD1 4.07Å; F28-L282 HydrophobicContact CD2-CB 4.1Å; F28-L282 HydrophobicContact CE1-CB 3.62Å; F28-L282 HydrophobicContact CE1-CD1 3.74Å; F28-L282 HydrophobicContact CE1-CG 4.19Å; F28-L282 VanDerWaalsContact CE2-C 3.45Å; F28-L282 HydrophobicContact CE2-CB 3.72Å; F28-L282 VanDerWaalsContact CE2-O 3.29Å; F28-L282 WeakPolarHBondContact CE2-O 3.43Å; F28-L282 HydrophobicContact CG-CB 4.24Å; F28-L282 HydrophobicContact CZ-CB 3.5Å; F28-L282 VanDerWaalsContact CZ-CB 3.5Å; F28-L282 HydrophobicContact CZ-CD1 4.4Å; F28-L282 HydrophobicContact CZ-CG 4.37Å; L31-L282 HydrophobicContact CD1-CD1 4.06Å; L278-L282 HydrophobicContact CB-CD1 4.37Å; L278-L282 WeakPolarHBondContact O-CB 3.39Å; L278-L282 WeakPolarHBondContact O-CD1 3.37Å; L278-L282 WeakPolarHBondContact O-CG 3.22Å; L278-L282 PolarHBondContact O-N 2.72Å; L282-A285 PolarHBondContact O-N 2.87Å; L282-L286 WeakPolarHBondContact O-CB 2.98Å; L282-L286 PolarHBondContact O-N 2.87Å |
| 283 | T | 86.6 | Confident | 86.2 | Confident | 29 Ų | 29 | 55.8 Ų | 55.8 | 18% | 0.178 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 175.2 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | A24 Q279 M287 | A24-T283 HydrophobicContact CB-CG2 3.84Å; Q279-T283 WeakPolarHBondContact O-CB 3.37Å; Q279-T283 PolarHBondContact O-N 3.17Å; Q279-T283 PolarHBondContact O-OG1 3.35Å; T283-M287 WeakPolarHBondContact O-CB 3.17Å; T283-M287 PolarHBondContact O-N 3.01Å |
| 284 | A | 84.4 | Confident | 85.7 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 37% | 0.372 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65 | -44.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | F208 T280 V281 F288 | F208-A284 HydrophobicContact CE2-CB 4.13Å; T280-A284 WeakPolarHBondContact O-CB 3.45Å; T280-A284 PolarHBondContact O-N 2.89Å; T280-A284 VanDerWaalsContact O-N 3.11Å; V281-A284 PolarHBondContact O-N 3.03Å; A284-F288 WeakPolarHBondContact O-CB 3.41Å; A284-F288 PolarHBondContact O-N 3.35Å |
| 285 | A | 86.3 | Confident | 84.8 | Confident | 31 Ų | 31 | 52.4 Ų | 52.4 | 26% | 0.256 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F208 V281 L282 F288 L289 | F208-A285 HydrophobicContact CZ-CB 3.88Å; V281-A285 WeakPolarHBondContact O-CB 3.45Å; V281-A285 PolarHBondContact O-N 3.49Å; L282-A285 PolarHBondContact O-N 2.87Å; A285-F288 PolarHBondContact O-N 2.9Å; A285-L289 VanDerWaalsContact O-CG 3.31Å; A285-L289 WeakPolarHBondContact O-CG 3.29Å; A285-L289 PolarHBondContact O-N 3.29Å |
| 286 | L | 87.2 | Confident | 84.1 | Confident | 41 Ų | 41 | 54.9 Ų | 54.9 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.6 | -40.4 | -179.2 | -175.8 | 59.4 | 0 | 0 | 0 | 112 | A24 V27 F28 L282 F288 L289 L290 | A24-L286 HydrophobicContact CB-CB 4.19Å; A24-L286 HydrophobicContact CB-CD2 4.02Å; A24-L286 HydrophobicContact CB-CG 4.16Å; V27-L286 HydrophobicContact CB-CD2 4.06Å; V27-L286 HydrophobicContact CG1-CD2 4.18Å; V27-L286 HydrophobicContact CG2-CD2 4.11Å; F28-L286 HydrophobicContact CD2-CD2 4.41Å; F28-L286 HydrophobicContact CE2-CB 3.85Å; F28-L286 HydrophobicContact CE2-CD2 3.58Å; F28-L286 HydrophobicContact CE2-CG 4.37Å; F28-L286 HydrophobicContact CZ-CD2 4.13Å; L282-L286 WeakPolarHBondContact O-CB 2.98Å; L282-L286 PolarHBondContact O-N 2.87Å; L286-F288 VanDerWaalsContact C-N 3.31Å; L286-F288 PolarHBondContact O-N 2.91Å; L286-L289 PolarHBondContact O-N 3.46Å; L286-L290 HydrophobicContact CD1-CD1 4.09Å; L286-L290 HydrophobicContact CD1-CG 4.02Å; L286-L290 HydrophobicContact CG-CD1 3.87Å; L286-L290 HydrophobicContact CG-CG 4.24Å; L286-L290 VanDerWaalsContact O-CB 3.31Å; L286-L290 WeakPolarHBondContact O-CB 3.38Å; L286-L290 VanDerWaalsContact O-CG 3.24Å; L286-L290 WeakPolarHBondContact O-CG 3.22Å; L286-L290 PolarHBondContact O-N 3.38Å |
| 287 | M | 83.6 | Confident | 83.2 | Confident | 77 Ų | 77 | 56 Ų | 56 | 38% | 0.379 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 174.4 | -179.9 | -177.7 | 170.5 | 0 | 0 | 111 | T283 L290 Y291 | T283-M287 WeakPolarHBondContact O-CB 3.17Å; T283-M287 PolarHBondContact O-N 3.01Å; M287-L290 PolarHBondContact O-N 2.95Å; M287-Y291 WeakPolarHBondContact O-CB 3.32Å; M287-Y291 PolarHBondContact O-N 2.89Å |
| 288 | F | 80.3 | Confident | 82.3 | Confident | 80 Ų | 80 | 55.6 Ų | 55.6 | 35% | 0.351 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.8 | -49.5 | 177.2 | -177.5 | -96.8 | 0 | 0 | 0 | 111.7 | A284 A285 L286 L290 Y291 E292 | A284-F288 WeakPolarHBondContact O-CB 3.41Å; A284-F288 PolarHBondContact O-N 3.35Å; A285-F288 PolarHBondContact O-N 2.9Å; L286-F288 VanDerWaalsContact C-N 3.31Å; L286-F288 PolarHBondContact O-N 2.91Å; F288-L290 PolarHBondContact O-N 3.35Å; F288-Y291 PolarHBondContact O-N 2.95Å; F288-E292 HydrophobicContact CE1-CG 4.18Å; F288-E292 WeakPolarHBondContact CE1-OE1 3.39Å; F288-E292 HydrophobicContact CZ-CG 4.22Å; F288-E292 WeakPolarHBondContact CZ-OE1 3.48Å; F288-E292 WeakPolarHBondContact O-CG 3.42Å; F288-E292 PolarHBondContact O-N 2.95Å |
| 289 | L | 83.4 | Confident | 81.3 | Confident | 97 Ų | 97 | 54.6 Ų | 54.6 | 51% | 0.508 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 178.1 | -70.4 | 172.7 | 0 | 0 | 0 | 112.8 | A285 L286 K293 | A285-L289 VanDerWaalsContact O-CG 3.31Å; A285-L289 WeakPolarHBondContact O-CG 3.29Å; A285-L289 PolarHBondContact O-N 3.29Å; L286-L289 PolarHBondContact O-N 3.46Å; L289-K293 WeakPolarHBondContact O-CB 3.34Å; L289-K293 WeakPolarHBondContact O-CG 3.43Å; L289-K293 PolarHBondContact O-N 3.14Å |
| 290 | L | 83.6 | Confident | 80.4 | Confident | 40 Ų | 40 | 63.2 Ų | 63.2 | 21% | 0.209 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.4 | -42.3 | 177.7 | -72.4 | 175.7 | 0 | 0 | 0 | 111 | T23 L286 M287 F288 E292 K293 I294 | T23-L290 HydrophobicContact CG2-CD1 3.72Å; L286-L290 HydrophobicContact CD1-CD1 4.09Å; L286-L290 HydrophobicContact CD1-CG 4.02Å; L286-L290 HydrophobicContact CG-CD1 3.87Å; L286-L290 HydrophobicContact CG-CG 4.24Å; L286-L290 VanDerWaalsContact O-CB 3.31Å; L286-L290 WeakPolarHBondContact O-CB 3.38Å; L286-L290 VanDerWaalsContact O-CG 3.24Å; L286-L290 WeakPolarHBondContact O-CG 3.22Å; L286-L290 PolarHBondContact O-N 3.38Å; M287-L290 PolarHBondContact O-N 2.95Å; F288-L290 PolarHBondContact O-N 3.35Å; L290-E292 PolarHBondContact O-N 3.46Å; L290-K293 PolarHBondContact O-N 2.92Å; L290-I294 HydrophobicContact CB-CD1 4.29Å; L290-I294 VanDerWaalsContact O-CB 3.27Å; L290-I294 WeakPolarHBondContact O-CB 3.48Å; L290-I294 WeakPolarHBondContact O-CD1 3.21Å; L290-I294 WeakPolarHBondContact O-CG1 3.28Å; L290-I294 PolarHBondContact O-N 2.97Å |
| 291 | Y | 77.1 | Confident | 79.5 | Confident | 62 Ų | 62 | 68 Ų | 68 | 24% | 0.243 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 176.1 | 175.5 | -95.4 | 0 | 0 | 0 | 111.3 | H13 M287 F288 K293 I294 A295 | H13-Y291 PolarHBondContact CE1-OH 2.92Å; H13-Y291 VanDerWaalsContact CE1-OH 3.27Å; H13-Y291 AromaticContact ND1-CE2 3.8Å; H13-Y291 AromaticContact ND1-CZ 3.65Å; H13-Y291 PolarHBondContact ND1-OH 3.39Å; M287-Y291 WeakPolarHBondContact O-CB 3.32Å; M287-Y291 PolarHBondContact O-N 2.89Å; F288-Y291 PolarHBondContact O-N 2.95Å; Y291-K293 PolarHBondContact O-N 3.34Å; Y291-I294 PolarHBondContact O-N 3.32Å; Y291-A295 WeakPolarHBondContact O-CB 3.46Å; Y291-A295 PolarHBondContact O-N 3.18Å |
| 292 | E | 77.5 | Confident | 78.2 | Confident | 72 Ų | 72 | 68.4 Ų | 68.4 | 34% | 0.336 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 178.1 | -72.5 | -171.8 | 149.9 | 0 | 0 | 112.3 | F288 L290 S296 | F288-E292 HydrophobicContact CE1-CG 4.18Å; F288-E292 WeakPolarHBondContact CE1-OE1 3.39Å; F288-E292 HydrophobicContact CZ-CG 4.22Å; F288-E292 WeakPolarHBondContact CZ-OE1 3.48Å; F288-E292 WeakPolarHBondContact O-CG 3.42Å; F288-E292 PolarHBondContact O-N 2.95Å; L290-E292 PolarHBondContact O-N 3.46Å; E292-S296 WeakPolarHBondContact O-CB 3.5Å; E292-S296 PolarHBondContact O-N 3.45Å |
| 293 | K | 82.3 | Confident | 76.8 | Confident | 151 Ų | 151 | 68.4 Ų | 68.4 | 66% | 0.657 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -66.8 | -43 | 178.4 | -78.4 | -166.1 | 176.2 | -171.6 | 0 | 112.7 | L289 L290 Y291 S297 | L289-K293 WeakPolarHBondContact O-CB 3.34Å; L289-K293 WeakPolarHBondContact O-CG 3.43Å; L289-K293 PolarHBondContact O-N 3.14Å; L290-K293 PolarHBondContact O-N 2.92Å; Y291-K293 PolarHBondContact O-N 3.34Å; K293-S297 VanDerWaalsContact O-CB 3.26Å; K293-S297 WeakPolarHBondContact O-CB 3.37Å; K293-S297 PolarHBondContact O-N 3.5Å; K293-S297 PolarHBondContact O-OG 2.98Å |
| 294 | I | 78.5 | Confident | 75.3 | Confident | 47 Ų | 47 | 72.2 Ų | 72.2 | 24% | 0.241 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -69.4 | -46.8 | -179.4 | -65.1 | 164.5 | 0 | 0 | 0 | 109.5 | S16 V19 L290 Y291 S296 S297 T298 | S16-I294 VanDerWaalsContact CB-CG2 3.47Å; V19-I294 HydrophobicContact CB-CD1 4.49Å; V19-I294 HydrophobicContact CG1-CD1 4.2Å; L290-I294 HydrophobicContact CB-CD1 4.29Å; L290-I294 VanDerWaalsContact O-CB 3.27Å; L290-I294 WeakPolarHBondContact O-CB 3.48Å; L290-I294 WeakPolarHBondContact O-CD1 3.21Å; L290-I294 WeakPolarHBondContact O-CG1 3.28Å; L290-I294 PolarHBondContact O-N 2.97Å; Y291-I294 PolarHBondContact O-N 3.32Å; I294-S296 PolarHBondContact O-N 3.45Å; I294-S297 PolarHBondContact O-N 2.91Å; I294-T298 VanDerWaalsContact O-CB 3.26Å; I294-T298 WeakPolarHBondContact O-CB 3.21Å; I294-T298 PolarHBondContact O-N 2.96Å; I294-T298 PolarHBondContact O-OG1 2.74Å |
| 295 | A | 71.7 | Confident | 73.3 | Confident | 3 Ų | 3 | 75.5 Ų | 75.5 | 3% | 0.025 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.1 | -49.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y291 S297 T298 F299 | Y291-A295 WeakPolarHBondContact O-CB 3.46Å; Y291-A295 PolarHBondContact O-N 3.18Å; A295-S297 PolarHBondContact O-N 2.94Å; A295-T298 PolarHBondContact O-N 2.93Å; A295-F299 HydrophobicContact CB-CE2 4.34Å; A295-F299 WeakPolarHBondContact O-CD2 3.34Å; A295-F299 PolarHBondContact O-N 3.06Å |
| 296 | S | 74.4 | Confident | 71.2 | Confident | 52 Ų | 52 | 79.1 Ų | 79.1 | 36% | 0.364 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 179.8 | -175.4 | 0 | 0 | 0 | 0 | 113 | E292 I294 R300 | E292-S296 WeakPolarHBondContact O-CB 3.5Å; E292-S296 PolarHBondContact O-N 3.45Å; I294-S296 PolarHBondContact O-N 3.45Å; S296-R300 VanDerWaalsContact O-CB 3.3Å; S296-R300 WeakPolarHBondContact O-CB 3.48Å; S296-R300 PolarHBondContact O-N 3.47Å |
| 297 | S | 73.9 | Confident | 69.1 | Low | 62 Ų | 62 | 80.2 Ų | 80.2 | 43% | 0.434 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 177.1 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | K293 I294 A295 R300 V301 | K293-S297 VanDerWaalsContact O-CB 3.26Å; K293-S297 WeakPolarHBondContact O-CB 3.37Å; K293-S297 PolarHBondContact O-N 3.5Å; K293-S297 PolarHBondContact O-OG 2.98Å; I294-S297 PolarHBondContact O-N 2.91Å; A295-S297 PolarHBondContact O-N 2.94Å; S297-R300 PolarHBondContact O-N 3.35Å; S297-V301 WeakPolarHBondContact O-CB 3.4Å; S297-V301 VanDerWaalsContact O-CG2 3.28Å; S297-V301 WeakPolarHBondContact O-CG2 3.5Å; S297-V301 PolarHBondContact O-N 3.24Å |
| 298 | T | 73.3 | Confident | 67.1 | Low | 37 Ų | 37 | 85.3 Ų | 85.3 | 23% | 0.227 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -64 | -47 | 179 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | V12 I294 A295 R300 V301 M302 | V12-T298 HydrophobicContact CB-CG2 4.36Å; V12-T298 HydrophobicContact CG1-CG2 3.55Å; V12-T298 HydrophobicContact CG2-CG2 3.81Å; I294-T298 VanDerWaalsContact O-CB 3.26Å; I294-T298 WeakPolarHBondContact O-CB 3.21Å; I294-T298 PolarHBondContact O-N 2.96Å; I294-T298 PolarHBondContact O-OG1 2.74Å; A295-T298 PolarHBondContact O-N 2.93Å; T298-R300 PolarHBondContact O-N 3.03Å; T298-V301 PolarHBondContact O-N 3.43Å; T298-M302 HydrophobicContact CG2-CE 3.27Å; T298-M302 WeakPolarHBondContact O-CE 3.41Å; T298-M302 PolarHBondContact O-N 3.15Å |
| 299 | F | 68.6 | Low | 65.3 | Low | 51 Ų | 51 | 88.2 Ų | 88.2 | 22% | 0.224 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -64 | -36.7 | 174.8 | -71.6 | -63.5 | 0 | 0 | 0 | 113.4 | A295 M302 G303 | A295-F299 HydrophobicContact CB-CE2 4.34Å; A295-F299 WeakPolarHBondContact O-CD2 3.34Å; A295-F299 PolarHBondContact O-N 3.06Å; F299-M302 PolarHBondContact O-N 3.35Å; F299-G303 PolarHBondContact O-N 3.37Å |
| 300 | R | 70.2 | Confident | 63.1 | Low | 191 Ų | 191 | 93.1 Ų | 93.1 | 72% | 0.721 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.3 | -40.6 | 179.2 | -167.4 | -178.1 | -67 | 168.3 | -0.8 | 112.7 | S296 S297 T298 M302 G303 | S296-R300 VanDerWaalsContact O-CB 3.3Å; S296-R300 WeakPolarHBondContact O-CB 3.48Å; S296-R300 PolarHBondContact O-N 3.47Å; S297-R300 PolarHBondContact O-N 3.35Å; T298-R300 PolarHBondContact O-N 3.03Å; R300-M302 PolarHBondContact O-N 2.95Å; R300-G303 PolarHBondContact O-N 3.34Å |
| 301 | V | 70.1 | Confident | 60.7 | Low | 131 Ų | 131 | 102 Ų | 102 | 79% | 0.794 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.5 | -25.1 | 176.4 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | S297 T298 | S297-V301 WeakPolarHBondContact O-CB 3.4Å; S297-V301 VanDerWaalsContact O-CG2 3.28Å; S297-V301 WeakPolarHBondContact O-CG2 3.5Å; S297-V301 PolarHBondContact O-N 3.24Å; T298-V301 PolarHBondContact O-N 3.43Å |
| 302 | M | 61.1 | Low | 58.6 | Low | 69 Ų | 69 | 114.4 Ų | 114.4 | 34% | 0.34 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.4 | 2.9 | 180 | -75.8 | -174.6 | -83.2 | 0 | 0 | 115.6 | Y8 T298 F299 R300 L304 | Y8-M302 HydrophobicContact CD1-SD 4.44Å; Y8-M302 HydrophobicContact CE1-CE 3.55Å; Y8-M302 HydrophobicContact CE1-SD 3.27Å; Y8-M302 WeakPolarHBondContact CE1-SD 3.21Å; Y8-M302 VanDerWaalsContact OH-CE 3.25Å; Y8-M302 WeakPolarHBondContact OH-CE 3.41Å; Y8-M302 PolarHBondContact OH-SD 3.44Å; T298-M302 HydrophobicContact CG2-CE 3.27Å; T298-M302 WeakPolarHBondContact O-CE 3.41Å; T298-M302 PolarHBondContact O-N 3.15Å; F299-M302 PolarHBondContact O-N 3.35Å; R300-M302 PolarHBondContact O-N 2.95Å; M302-L304 PolarHBondContact O-N 2.93Å; M302-L304 VanDerWaalsContact O-N 3.15Å |
| 303 | G | 58.3 | Low | 57.7 | Low | 68 Ų | 68 | 116.5 Ų | 116.5 | 70% | 0.701 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.5 | 8.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | F299 R300 S305 | F299-G303 PolarHBondContact O-N 3.37Å; R300-G303 PolarHBondContact O-N 3.34Å; G303-S305 PolarHBondContact O-N 3.19Å; G303-S305 VanDerWaalsContact O-N 3.14Å |
| 304 | L | 56.3 | Low | 56.4 | Low | 110 Ų | 110 | 114.7 Ų | 114.7 | 58% | 0.576 | 59% | 0.589 | S | S | * | * | trans | -78.7 | 98 | 171.6 | -73.8 | 165.6 | 0 | 0 | 0 | 108.3 | M302 S306 | M302-L304 PolarHBondContact O-N 2.93Å; M302-L304 VanDerWaalsContact O-N 3.15Å; L304-S306 PolarHBondContact O-N 3.3Å | ||
| 305 | S | 41.6 | Very low | 55.2 | Low | 114 Ų | 114 | 118.4 Ų | 118.4 | 80% | 0.797 | 61% | 0.608 | S | S | * | * | trans | -48 | 136.6 | 178.6 | -176.5 | 0 | 0 | 0 | 0 | 112 | G303 G307 | G303-S305 PolarHBondContact O-N 3.19Å; G303-S305 VanDerWaalsContact O-N 3.14Å; S305-G307 PolarHBondContact O-N 3.14Å | ||
| 306 | S | 43.1 | Very low | 54.2 | Low | 106 Ų | 106 | 125.2 Ų | 125.2 | 74% | 0.741 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.7 | 16.2 | -172.7 | -91.2 | 0 | 0 | 0 | 0 | 118.2 | L304 | L304-S306 PolarHBondContact O-N 3.3Š|
| 307 | G | 42.2 | Very low | 52.9 | Low | 64 Ų | 64 | 129.8 Ų | 129.8 | 66% | 0.66 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -21.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | S305 | S305-G307 PolarHBondContact O-N 3.14Š|
| 308 | H | 42.2 | Very low | 51.5 | Low | 184 Ų | 184 | 134.3 Ų | 134.3 | 85% | 0.852 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -98.3 | -12.9 | -169.7 | -92.7 | 93.5 | 0 | 0 | 0 | 116.2 | ||
| 309 | Y | 42.5 | Very low | 50 | Low | 141 Ų | 141 | 141.3 Ų | 141.3 | 55% | 0.553 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -11.7 | -175 | -163.1 | -102.8 | 0 | 0 | 0 | 114.1 | ||
| 310 | K | 36.4 | Very low | 48.5 | Very low | 201 Ų | 201 | 148.2 Ų | 148.2 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 5 | -176.4 | -127.1 | 178.7 | -175 | -179.3 | 0 | 114.8 | ||
| 311 | R | 33.8 | Very low | 46.7 | Very low | 227 Ų | 227 | 144.7 Ų | 144.7 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | trans | -138.3 | 81.9 | 177 | -83.2 | -174.6 | 171.8 | 178.9 | -1.8 | 110.8 | ||||
| 312 | R | 33.3 | Very low | 44.6 | Very low | 321 Ų | 321 | 145.9 Ų | 145.9 | 100% | 1.211 | 74% | 0.742 | S | S | * | * | trans | 174 | 0 | 138 | -98.2 | 171.3 | -174.6 | -165.6 | 3.2 | 111.2 |
Retrieved 312 of 312 residues in 196.3 ms
(Link to these results)