| 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 | 29.4 | Very low | 50.7 | Low | 229 Ų | 229 | 96.1 Ų | 96.1 | 100% | 1.128 | 57% | 0.572 | S | S | * | * | 0 | -1.7 | 0 | -75.9 | -173.5 | 172 | 0 | 0 | 114.7 | |||||
| 2 | A | 36.2 | Very low | 52.3 | Low | 76 Ų | 76 | 93.8 Ų | 93.8 | 63% | 0.628 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -92.9 | -3.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 117 | T4 I5 | A2-T4 VanDerWaalsContact C-N 3.32Å; A2-T4 PolarHBondContact O-N 2.9Å; A2-I5 HydrophobicContact CB-CD1 4.46Å |
| 3 | S | 43.4 | Very low | 54.1 | Low | 122 Ų | 122 | 98 Ų | 98 | 85% | 0.853 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -82.4 | -4.7 | -175.7 | 54.5 | 0 | 0 | 0 | 0 | 114.8 | ||
| 4 | T | 43.8 | Very low | 55.2 | Low | 125 Ų | 125 | 91 Ų | 91 | 77% | 0.767 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -133.3 | 22.6 | -175.9 | 51.5 | 0 | 0 | 0 | 0 | 113.1 | A2 S6 | A2-T4 VanDerWaalsContact C-N 3.32Å; A2-T4 PolarHBondContact O-N 2.9Å; T4-S6 PolarHBondContact O-N 3.24Å |
| 5 | I | 48.1 | Very low | 56.2 | Low | 72 Ų | 72 | 88.5 Ų | 88.5 | 37% | 0.369 | 51% | 0.513 | S | S | . | . | trans | -76.6 | 105.9 | 169.8 | -60.9 | 177.2 | 0 | 0 | 0 | 105.3 | A2 S9 F10 | A2-I5 HydrophobicContact CB-CD1 4.46Å; I5-S9 WeakPolarHBondContact CA-OG 3.36Å; I5-S9 WeakPolarHBondContact CG2-OG 3.49Å; I5-F10 HydrophobicContact CG2-CB 3.67Å; I5-F10 HydrophobicContact CG2-CD2 4.33Å; I5-F10 VanDerWaalsContact CG2-N 3.29Å | ||
| 6 | S | 53 | Low | 57.2 | Low | 72 Ų | 72 | 87.3 Ų | 87.3 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | trans | -51.5 | 143.3 | 170.8 | 62.3 | 0 | 0 | 0 | 0 | 109.1 | T4 V8 S9 F10 | T4-S6 PolarHBondContact O-N 3.24Å; S6-V8 PolarHBondContact O-N 3.16Å; S6-S9 PolarHBondContact N-OG 2.82Å; S6-S9 WeakPolarHBondContact O-CA 3.41Å; S6-S9 PolarHBondContact O-N 2.92Å; S6-S9 PolarHBondContact O-OG 3.2Å; S6-S9 WeakPolarHBondContact OG-CB 3.44Å; S6-S9 PolarHBondContact OG-N 3.16Å; S6-S9 PolarHBondContact OG-OG 3.38Å; S6-F10 PolarHBondContact O-N 3.34Å; S6-F10 VanDerWaalsContact O-N 3.08Å | ||
| 7 | D | 53.5 | Low | 57.9 | Low | 112 Ų | 112 | 85.2 Ų | 85.2 | 60% | 0.599 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -50.1 | -35 | -177.1 | -72.2 | -31 | 0 | 0 | 0 | 112.1 | F10 I11 | D7-F10 PolarHBondContact O-N 3.15Å; D7-I11 WeakPolarHBondContact O-CD1 3.48Å; D7-I11 WeakPolarHBondContact O-CG1 3.27Å; D7-I11 PolarHBondContact O-N 3.16Å; D7-I11 VanDerWaalsContact O-N 3.13Å |
| 8 | V | 57.4 | Low | 58.6 | Low | 114 Ų | 114 | 80.7 Ų | 80.7 | 69% | 0.691 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.7 | -40.5 | 175.4 | -174 | 0 | 0 | 0 | 0 | 112.7 | S6 F10 S12 | S6-V8 PolarHBondContact O-N 3.16Å; V8-F10 VanDerWaalsContact C-N 3.33Å; V8-S12 PolarHBondContact O-N 3.29Å; V8-S12 VanDerWaalsContact O-N 3.13Å; V8-S12 PolarHBondContact O-OG 3.41Å |
| 9 | S | 62.6 | Low | 59.3 | Low | 41 Ų | 41 | 82.8 Ų | 82.8 | 29% | 0.287 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.6 | -30.2 | 176.2 | 61.9 | 0 | 0 | 0 | 0 | 112.7 | I5 S6 S12 W13 | I5-S9 WeakPolarHBondContact CA-OG 3.36Å; I5-S9 WeakPolarHBondContact CG2-OG 3.49Å; S6-S9 PolarHBondContact N-OG 2.82Å; S6-S9 WeakPolarHBondContact O-CA 3.41Å; S6-S9 PolarHBondContact O-N 2.92Å; S6-S9 PolarHBondContact O-OG 3.2Å; S6-S9 WeakPolarHBondContact OG-CB 3.44Å; S6-S9 PolarHBondContact OG-N 3.16Å; S6-S9 PolarHBondContact OG-OG 3.38Å; S9-S12 VanDerWaalsContact CA-OG 3.3Å; S9-S12 WeakPolarHBondContact CA-OG 3.21Å; S9-S12 PolarHBondContact O-OG 3.38Å; S9-W13 VanDerWaalsContact O-CB 3.31Å; S9-W13 WeakPolarHBondContact O-CB 3.35Å; S9-W13 PolarHBondContact O-N 3.23Å |
| 10 | F | 67.1 | Low | 59.9 | Low | 22 Ų | 22 | 79 Ų | 79 | 10% | 0.096 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -70.1 | -46.1 | 175.7 | -173.7 | -104.5 | 0 | 0 | 0 | 111.9 | I5 S6 D7 V8 S12 W13 A14 P32 H39 | I5-F10 HydrophobicContact CG2-CB 3.67Å; I5-F10 HydrophobicContact CG2-CD2 4.33Å; I5-F10 VanDerWaalsContact CG2-N 3.29Å; S6-F10 PolarHBondContact O-N 3.34Å; S6-F10 VanDerWaalsContact O-N 3.08Å; D7-F10 PolarHBondContact O-N 3.15Å; V8-F10 VanDerWaalsContact C-N 3.33Å; F10-S12 VanDerWaalsContact C-N 3.31Å; F10-S12 PolarHBondContact O-N 3.34Å; F10-W13 HydrophobicContact CD2-CE3 4.43Å; F10-W13 HydrophobicContact CE2-CE3 4.19Å; F10-W13 HydrophobicContact CE2-CZ3 4.27Å; F10-W13 PolarHBondContact O-N 3.12Å; F10-A14 WeakPolarHBondContact O-CB 3.44Å; F10-A14 PolarHBondContact O-N 2.86Å; F10-P32 HydrophobicContact CE1-CB 4.23Å; F10-P32 HydrophobicContact CZ-CB 4.19Å; F10-H39 AromaticContact CE1-CE1 3.67Å; F10-H39 AromaticContact CZ-CE1 3.31Å; F10-H39 WeakPolarHBondContact CZ-CE1 3.35Å; F10-H39 AromaticContact CZ-ND1 3.62Å |
| 11 | I | 63.6 | Low | 60.3 | Low | 72 Ų | 72 | 80.6 Ų | 80.6 | 37% | 0.369 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 179.6 | -63.8 | 169.6 | 0 | 0 | 0 | 110.3 | D7 S15 | D7-I11 WeakPolarHBondContact O-CD1 3.48Å; D7-I11 WeakPolarHBondContact O-CG1 3.27Å; D7-I11 PolarHBondContact O-N 3.16Å; D7-I11 VanDerWaalsContact O-N 3.13Å; I11-S15 WeakPolarHBondContact O-CB 3.4Å; I11-S15 PolarHBondContact O-N 2.96Å |
| 12 | S | 69.2 | Low | 62.5 | Low | 68 Ų | 68 | 70.3 Ų | 70.3 | 48% | 0.476 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 177.2 | 48.2 | 0 | 0 | 0 | 0 | 112.1 | V8 S9 F10 A16 | V8-S12 PolarHBondContact O-N 3.29Å; V8-S12 VanDerWaalsContact O-N 3.13Å; V8-S12 PolarHBondContact O-OG 3.41Å; S9-S12 VanDerWaalsContact CA-OG 3.3Å; S9-S12 WeakPolarHBondContact CA-OG 3.21Å; S9-S12 PolarHBondContact O-OG 3.38Å; F10-S12 VanDerWaalsContact C-N 3.31Å; F10-S12 PolarHBondContact O-N 3.34Å; S12-A16 WeakPolarHBondContact O-CB 3.42Å; S12-A16 PolarHBondContact O-N 2.93Å |
| 13 | W | 75.5 | Confident | 64.3 | Low | 149 Ų | 149 | 70.5 Ų | 70.5 | 56% | 0.564 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.2 | -48.3 | 175.4 | 177.6 | 79.2 | 0 | 0 | 0 | 112.6 | S9 F10 A16 A17 L43 | S9-W13 VanDerWaalsContact O-CB 3.31Å; S9-W13 WeakPolarHBondContact O-CB 3.35Å; S9-W13 PolarHBondContact O-N 3.23Å; F10-W13 HydrophobicContact CD2-CE3 4.43Å; F10-W13 HydrophobicContact CE2-CE3 4.19Å; F10-W13 HydrophobicContact CE2-CZ3 4.27Å; F10-W13 PolarHBondContact O-N 3.12Å; W13-A16 PolarHBondContact O-N 3.41Å; W13-A17 VanDerWaalsContact O-CB 3.3Å; W13-A17 WeakPolarHBondContact O-CB 3.38Å; W13-A17 PolarHBondContact O-N 3.23Å; W13-L43 HydrophobicContact CZ3-CD1 3.92Å |
| 14 | A | 69.7 | Low | 65.7 | Low | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.1 | -41.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F10 A16 A17 T18 L29 L43 | F10-A14 WeakPolarHBondContact O-CB 3.44Å; F10-A14 PolarHBondContact O-N 2.86Å; A14-A16 VanDerWaalsContact C-N 3.34Å; A14-A17 PolarHBondContact O-N 3.33Å; A14-T18 WeakPolarHBondContact O-CG2 3.24Å; A14-T18 PolarHBondContact O-N 2.88Å; A14-T18 PolarHBondContact O-OG1 3.28Å; A14-L29 HydrophobicContact CB-CD2 4.04Å; A14-L43 HydrophobicContact CB-CD1 4.35Å; A14-L43 HydrophobicContact CB-CD2 4.33Å |
| 15 | S | 70.8 | Confident | 67.3 | Low | 53 Ų | 53 | 59.4 Ų | 59.4 | 37% | 0.371 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 174.7 | -169.6 | 0 | 0 | 0 | 0 | 111.7 | I11 E19 | I11-S15 WeakPolarHBondContact O-CB 3.4Å; I11-S15 PolarHBondContact O-N 2.96Å; S15-E19 WeakPolarHBondContact O-CA 3.41Å; S15-E19 PolarHBondContact O-N 3.45Å |
| 16 | A | 71.4 | Confident | 68.4 | Low | 69 Ų | 69 | 62.7 Ų | 62.7 | 57% | 0.57 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -68.9 | -39.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S12 W13 A14 E19 | S12-A16 WeakPolarHBondContact O-CB 3.42Å; S12-A16 PolarHBondContact O-N 2.93Å; W13-A16 PolarHBondContact O-N 3.41Å; A14-A16 VanDerWaalsContact C-N 3.34Å; A16-E19 WeakPolarHBondContact O-CG 3.46Å |
| 17 | A | 69.5 | Low | 69.2 | Low | 53 Ų | 53 | 62 Ų | 62 | 44% | 0.438 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.7 | -37.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | W13 A14 | W13-A17 VanDerWaalsContact O-CB 3.3Å; W13-A17 WeakPolarHBondContact O-CB 3.38Å; W13-A17 PolarHBondContact O-N 3.23Å; A14-A17 PolarHBondContact O-N 3.33Å |
| 18 | T | 71.2 | Confident | 70 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 3% | 0.025 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -88.7 | -21.9 | -180 | 60.1 | 0 | 0 | 0 | 0 | 113.5 | A14 C20 L29 L43 L46 A47 | A14-T18 WeakPolarHBondContact O-CG2 3.24Å; A14-T18 PolarHBondContact O-N 2.88Å; A14-T18 PolarHBondContact O-OG1 3.28Å; T18-C20 PolarHBondContact O-N 3.35Å; T18-L29 HydrophobicContact CG2-CD2 4.06Å; T18-L43 HydrophobicContact CG2-CB 4.28Å; T18-L43 HydrophobicContact CG2-CD2 3.8Å; T18-L46 HydrophobicContact CG2-CB 4.4Å; T18-L46 HydrophobicContact CG2-CD2 4.06Å; T18-L46 HydrophobicContact CG2-CG 4.32Å; T18-A47 HydrophobicContact CG2-CB 4.49Å |
| 19 | E | 70.9 | Confident | 70.7 | Confident | 120 Ų | 120 | 52 Ų | 52 | 56% | 0.561 | 30% | 0.296 | S | S | * | . | trans | 46.9 | 23.8 | -170.3 | -53.5 | -176.8 | 169.4 | 0 | 0 | 114.7 | S15 A16 K54 | S15-E19 WeakPolarHBondContact O-CA 3.41Å; S15-E19 PolarHBondContact O-N 3.45Å; A16-E19 WeakPolarHBondContact O-CG 3.46Å; E19-K54 PolarHBondContact O-NZ 3.35Å; E19-K54 IonicContact OE2-NZ 2.81Å; E19-K54 PolarHBondContact OE2-NZ 2.85Å | ||
| 20 | C | 71.4 | Confident | 70.8 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | trans | -83 | 124.4 | -176.5 | -176 | 0 | 0 | 0 | 0 | 110.4 | T18 L46 T50 Y65 | T18-C20 PolarHBondContact O-N 3.35Å; C20-L46 HydrophobicContact CB-CD2 4.33Å; C20-L46 HydrophobicContact CB-CG 4.44Å; C20-T50 HydrophobicContact CB-CG2 4.47Å; C20-Y65 PolarHBondContact SG-OH 2.81Å | ||
| 21 | T | 68.8 | Low | 71 | Confident | 113 Ų | 113 | 60.3 Ų | 60.3 | 69% | 0.693 | 33% | 0.329 | S | S | * | . | trans | -93.2 | -11.6 | 178.1 | 66.4 | 0 | 0 | 0 | 0 | 113.3 | E60 | T21-E60 WeakPolarHBondContact CB-OE2 3.36Å; T21-E60 PolarHBondContact N-OE2 2.91Å; T21-E60 PolarHBondContact OG1-OE2 3.48Å | ||
| 22 | N | 75.1 | Confident | 71.2 | Confident | 12 Ų | 12 | 59.8 Ų | 59.8 | 6% | 0.064 | 33% | 0.331 | C | S | . | . | trans | -73.8 | 124.8 | -171 | -168.7 | -47 | 0 | 0 | 0 | 112.4 | T24 F25 E60 Y65 | N22-T24 PolarHBondContact O-N 2.75Å; N22-T24 VanDerWaalsContact O-N 3.09Å; N22-T24 WeakPolarHBondContact OD1-CB 3.2Å; N22-T24 WeakPolarHBondContact OD1-CG2 3.46Å; N22-T24 PolarHBondContact OD1-N 3.24Å; N22-T24 VanDerWaalsContact OD1-N 3.09Å; N22-T24 PolarHBondContact OD1-OG1 3.2Å; N22-F25 HydrophobicContact CB-CD2 4.21Å; N22-F25 HydrophobicContact CB-CE2 4.42Å; N22-E60 PolarHBondContact ND2-O 3.48Å; N22-Y65 HydrophobicContact CB-CE2 3.98Å | ||
| 23 | P | 74.4 | Confident | 71.4 | Confident | 80 Ų | 80 | 59.1 Ų | 59.1 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -67.9 | -13.5 | -173.6 | 27.5 | -36.5 | 0 | 0 | 0 | 114.6 | F25 K26 | P23-F25 VanDerWaalsContact C-N 3.3Å; P23-F25 PolarHBondContact O-N 3.35Å; P23-K26 HydrophobicContact CB-CD 4.2Å; P23-K26 VanDerWaalsContact O-CB 3.32Å; P23-K26 WeakPolarHBondContact O-CB 3.29Å; P23-K26 WeakPolarHBondContact O-CD 3.31Å; P23-K26 WeakPolarHBondContact O-CG 3.32Å; P23-K26 PolarHBondContact O-N 3.05Å |
| 24 | T | 72.6 | Confident | 70.9 | Confident | 15 Ų | 15 | 58.7 Ų | 58.7 | 9% | 0.092 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -66.3 | -34 | -176 | 57.9 | 0 | 0 | 0 | 0 | 112.4 | N22 K26 A93 | N22-T24 PolarHBondContact O-N 2.75Å; N22-T24 VanDerWaalsContact O-N 3.09Å; N22-T24 WeakPolarHBondContact OD1-CB 3.2Å; N22-T24 WeakPolarHBondContact OD1-CG2 3.46Å; N22-T24 PolarHBondContact OD1-N 3.24Å; N22-T24 VanDerWaalsContact OD1-N 3.09Å; N22-T24 PolarHBondContact OD1-OG1 3.2Å; T24-K26 VanDerWaalsContact C-N 3.31Å; T24-K26 PolarHBondContact O-N 3.38Å; T24-A93 HydrophobicContact CG2-CB 3.22Å |
| 25 | F | 77.6 | Confident | 71.1 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -87 | 5.8 | 179.4 | -55.3 | -68.9 | 0 | 0 | 0 | 113.9 | N22 P23 T27 A28 L29 L46 Y65 L85 L88 V89 | N22-F25 HydrophobicContact CB-CD2 4.21Å; N22-F25 HydrophobicContact CB-CE2 4.42Å; P23-F25 VanDerWaalsContact C-N 3.3Å; P23-F25 PolarHBondContact O-N 3.35Å; F25-T27 PolarHBondContact O-N 2.98Å; F25-A28 WeakPolarHBondContact O-CA 3.38Å; F25-A28 WeakPolarHBondContact O-CB 3.15Å; F25-A28 PolarHBondContact O-N 2.88Å; F25-L29 PolarHBondContact O-N 3.34Å; F25-L29 VanDerWaalsContact O-N 3.08Å; F25-L46 HydrophobicContact CB-CD2 4.11Å; F25-L46 HydrophobicContact CD1-CD1 4.17Å; F25-L46 HydrophobicContact CD2-CD1 3.88Å; F25-L46 HydrophobicContact CE1-CD1 4.16Å; F25-L46 HydrophobicContact CE2-CD1 3.86Å; F25-L46 HydrophobicContact CG-CD1 4.02Å; F25-L46 HydrophobicContact CG-CD2 4.23Å; F25-L46 HydrophobicContact CZ-CD1 3.98Å; F25-Y65 AromaticContact CE2-CD1 3.83Å; F25-Y65 HydrophobicContact CE2-CD1 3.83Å; F25-Y65 HydrophobicContact CE2-CD2 4.01Å; F25-Y65 AromaticContact CE2-CE1 3.97Å; F25-Y65 HydrophobicContact CE2-CE1 3.97Å; F25-Y65 HydrophobicContact CE2-CE2 4.13Å; F25-Y65 AromaticContact CE2-CG 3.87Å; F25-Y65 HydrophobicContact CE2-CG 3.87Å; F25-Y65 AromaticContact CZ-CD1 3.93Å; F25-Y65 HydrophobicContact CZ-CD1 3.93Å; F25-Y65 HydrophobicContact CZ-CE1 4.43Å; F25-Y65 HydrophobicContact CZ-CG 4.03Å; F25-L85 HydrophobicContact CD1-CD2 3.7Å; F25-L85 HydrophobicContact CE1-CB 4.33Å; F25-L85 HydrophobicContact CE1-CD2 3.71Å; F25-L88 HydrophobicContact CD1-CD1 4.37Å; F25-V89 HydrophobicContact CE1-CG2 3.44Å; F25-V89 VanDerWaalsContact CE1-CG2 3.44Å; F25-V89 HydrophobicContact CE2-CG2 4.25Å; F25-V89 HydrophobicContact CZ-CG2 3.2Å |
| 26 | K | 71 | Confident | 71.3 | Confident | 141 Ų | 141 | 65.9 Ų | 65.9 | 61% | 0.613 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -48.4 | -36.8 | 175.6 | -82.3 | 176.7 | -179.8 | -178.6 | 0 | 112.8 | P23 T24 A28 L29 S30 | P23-K26 HydrophobicContact CB-CD 4.2Å; P23-K26 VanDerWaalsContact O-CB 3.32Å; P23-K26 WeakPolarHBondContact O-CB 3.29Å; P23-K26 WeakPolarHBondContact O-CD 3.31Å; P23-K26 WeakPolarHBondContact O-CG 3.32Å; P23-K26 PolarHBondContact O-N 3.05Å; T24-K26 VanDerWaalsContact C-N 3.31Å; T24-K26 PolarHBondContact O-N 3.38Å; K26-A28 VanDerWaalsContact C-N 3.35Å; K26-A28 PolarHBondContact O-N 3.36Å; K26-L29 PolarHBondContact O-N 2.9Å; K26-S30 WeakPolarHBondContact O-CA 3.22Å; K26-S30 WeakPolarHBondContact O-CB 3.5Å; K26-S30 PolarHBondContact O-N 2.82Å; K26-S30 PolarHBondContact O-OG 2.93Å |
| 27 | T | 70.3 | Confident | 71.5 | Confident | 57 Ų | 57 | 65.8 Ų | 65.8 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70 | -26.9 | 178.2 | 40.9 | 0 | 0 | 0 | 0 | 114.6 | F25 K92 | F25-T27 PolarHBondContact O-N 2.98Å; T27-K92 VanDerWaalsContact CG2-NZ 3.28Å; T27-K92 PolarHBondContact OG1-NZ 3.44Å |
| 28 | A | 70.3 | Confident | 71.8 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -80.3 | -34.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | F25 K26 W33 H39 V42 L88 | F25-A28 WeakPolarHBondContact O-CA 3.38Å; F25-A28 WeakPolarHBondContact O-CB 3.15Å; F25-A28 PolarHBondContact O-N 2.88Å; K26-A28 VanDerWaalsContact C-N 3.35Å; K26-A28 PolarHBondContact O-N 3.36Å; A28-W33 HydrophobicContact CB-CZ2 4.34Å; A28-H39 PolarHBondContact O-NE2 2.96Å; A28-V42 HydrophobicContact CB-CG1 4.42Å; A28-L88 HydrophobicContact CB-CD1 4.43Å |
| 29 | L | 70.8 | Confident | 72.2 | Confident | 15 Ų | 15 | 65.8 Ų | 65.8 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -84.1 | -29.9 | -178.3 | -61.2 | 172.2 | 0 | 0 | 0 | 113.7 | A14 T18 F25 K26 L43 L46 | A14-L29 HydrophobicContact CB-CD2 4.04Å; T18-L29 HydrophobicContact CG2-CD2 4.06Å; F25-L29 PolarHBondContact O-N 3.34Å; F25-L29 VanDerWaalsContact O-N 3.08Å; K26-L29 PolarHBondContact O-N 2.9Å; L29-L43 HydrophobicContact CD2-CD2 3.84Å; L29-L46 HydrophobicContact CD2-CD2 4.32Å |
| 30 | S | 66.4 | Low | 72.6 | Confident | 57 Ų | 57 | 69.1 Ų | 69.1 | 40% | 0.399 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -81.1 | -22.2 | -166.9 | 69.4 | 0 | 0 | 0 | 0 | 115.5 | K26 | K26-S30 WeakPolarHBondContact O-CA 3.22Å; K26-S30 WeakPolarHBondContact O-CB 3.5Å; K26-S30 PolarHBondContact O-N 2.82Å; K26-S30 PolarHBondContact O-OG 2.93Å |
| 31 | R | 70.1 | Confident | 73 | Confident | 182 Ų | 182 | 71.5 Ų | 71.5 | 69% | 0.687 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -140.5 | 130.9 | -168 | -173.5 | 179.3 | 177.4 | 179.5 | 1.2 | 111.4 | ||
| 32 | P | 68.4 | Low | 73.7 | Confident | 61 Ų | 61 | 66.2 Ų | 66.2 | 40% | 0.396 | 34% | 0.341 | S | S | . | . | trans | -66.1 | 133.9 | 170.8 | 25.9 | -31.9 | 0 | 0 | 0 | 110.6 | F10 | F10-P32 HydrophobicContact CE1-CB 4.23Å; F10-P32 HydrophobicContact CZ-CB 4.19Å | ||
| 33 | W | 72.7 | Confident | 74 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 20% | 0.201 | 34% | 0.341 | C | S | . | . | trans | -89.4 | 153.8 | 179.5 | -67.1 | 8.7 | 0 | 0 | 0 | 111.7 | A28 N35 H39 V42 Y84 | A28-W33 HydrophobicContact CB-CZ2 4.34Å; W33-N35 VanDerWaalsContact C-N 3.26Å; W33-N35 PolarHBondContact O-N 2.71Å; W33-H39 HydrophobicContact CB-CB 4.02Å; W33-H39 AromaticContact CD1-CD2 3.8Å; W33-H39 HydrophobicContact CD2-CB 4.26Å; W33-H39 AromaticContact CD2-CD2 3.43Å; W33-H39 VanDerWaalsContact CD2-CD2 3.43Å; W33-H39 AromaticContact CE2-CD2 3.56Å; W33-H39 HydrophobicContact CE3-CB 4.12Å; W33-H39 AromaticContact CE3-CD2 3.87Å; W33-H39 HydrophobicContact CG-CB 4.26Å; W33-H39 AromaticContact CG-CD2 3.6Å; W33-H39 AromaticContact CG-CG 3.99Å; W33-H39 AromaticContact NE1-CD2 3.78Å; W33-H39 AromaticContact NE1-NE2 3.99Å; W33-V42 HydrophobicContact CH2-CB 4.4Å; W33-V42 HydrophobicContact CH2-CG1 4.16Å; W33-V42 HydrophobicContact CH2-CG2 4Å; W33-V42 HydrophobicContact CZ3-CG2 4Å; W33-Y84 AromaticContact CH2-CD1 3.56Å; W33-Y84 HydrophobicContact CH2-CD1 3.56Å; W33-Y84 HydrophobicContact CH2-CD2 4.3Å; W33-Y84 AromaticContact CH2-CE1 3.15Å; W33-Y84 HydrophobicContact CH2-CE1 3.15Å; W33-Y84 AromaticContact CH2-CE2 3.93Å; W33-Y84 HydrophobicContact CH2-CE2 3.93Å; W33-Y84 HydrophobicContact CH2-CG 4.12Å; W33-Y84 AromaticContact CH2-CZ 3.34Å; W33-Y84 HydrophobicContact CZ2-CD1 4.28Å; W33-Y84 AromaticContact CZ2-CE1 3.42Å; W33-Y84 HydrophobicContact CZ2-CE1 3.42Å; W33-Y84 VanDerWaalsContact CZ2-CE1 3.42Å; W33-Y84 HydrophobicContact CZ2-CE2 4.31Å; W33-Y84 AromaticContact CZ2-CZ 3.42Å; W33-Y84 VanDerWaalsContact CZ2-CZ 3.42Å; W33-Y84 VanDerWaalsContact CZ2-OH 3.25Å; W33-Y84 WeakPolarHBondContact CZ2-OH 3.41Å; W33-Y84 HydrophobicContact CZ3-CE1 4.37Å | ||
| 34 | P | 65.2 | Low | 74.4 | Confident | 140 Ų | 140 | 64.8 Ų | 64.8 | 91% | 0.909 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -64.7 | -29.6 | 176.8 | 24.4 | -33.2 | 0 | 0 | 0 | 113.2 | ||
| 35 | N | 73.5 | Confident | 74.9 | Confident | 78 Ų | 78 | 64.6 Ų | 64.6 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | trans | -98.2 | 93.6 | 174.5 | -162.9 | -5.9 | 0 | 0 | 0 | 109.9 | W33 S37 M38 H39 | W33-N35 VanDerWaalsContact C-N 3.26Å; W33-N35 PolarHBondContact O-N 2.71Å; N35-S37 PolarHBondContact O-N 2.99Å; N35-S37 PolarHBondContact OD1-OG 3.47Å; N35-M38 HydrophobicContact CB-CB 4.35Å; N35-M38 HydrophobicContact CB-CG 4.48Å; N35-M38 WeakPolarHBondContact ND2-CG 3.35Å; N35-H39 PolarHBondContact O-N 3.35Å; N35-H39 VanDerWaalsContact O-N 3.11Å | ||
| 36 | I | 74.9 | Confident | 75.1 | Confident | 127 Ų | 127 | 64.6 Ų | 64.6 | 65% | 0.651 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66 | -36.2 | -172 | -63.7 | 164 | 0 | 0 | 0 | 111.6 | H39 R40 | I36-H39 PolarHBondContact O-N 3.43Å; I36-R40 WeakPolarHBondContact O-CB 3.34Å; I36-R40 PolarHBondContact O-N 3.06Å |
| 37 | S | 77.3 | Confident | 75.6 | Confident | 67 Ų | 67 | 59.3 Ų | 59.3 | 47% | 0.469 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.1 | -53.8 | 178.4 | 55.1 | 0 | 0 | 0 | 0 | 110.7 | N35 H39 R40 D41 | N35-S37 PolarHBondContact O-N 2.99Å; N35-S37 PolarHBondContact OD1-OG 3.47Å; S37-H39 PolarHBondContact O-N 3.15Å; S37-R40 WeakPolarHBondContact O-CA 3.44Å; S37-R40 WeakPolarHBondContact O-CB 3.32Å; S37-R40 PolarHBondContact O-N 2.98Å; S37-D41 PolarHBondContact O-N 3.35Å |
| 38 | M | 74.2 | Confident | 76.3 | Confident | 47 Ų | 47 | 59.1 Ų | 59.1 | 23% | 0.232 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.9 | -33.8 | 177.5 | -68 | -162.1 | 82.5 | 0 | 0 | 113.1 | N35 V42 V80 | N35-M38 HydrophobicContact CB-CB 4.35Å; N35-M38 HydrophobicContact CB-CG 4.48Å; N35-M38 WeakPolarHBondContact ND2-CG 3.35Å; M38-V42 WeakPolarHBondContact O-CB 2.81Å; M38-V42 WeakPolarHBondContact O-CG2 3.48Å; M38-V42 PolarHBondContact O-N 3.38Å; M38-V80 HydrophobicContact CE-CB 3.8Å; M38-V80 HydrophobicContact CE-CG1 3.25Å |
| 39 | H | 80.4 | Confident | 76.9 | Confident | 10 Ų | 10 | 59.3 Ų | 59.3 | 5% | 0.046 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.5 | -39.9 | 176.1 | -166.7 | -120.6 | 0 | 0 | 0 | 111.9 | F10 A28 W33 N35 I36 S37 V42 L43 | F10-H39 AromaticContact CE1-CE1 3.67Å; F10-H39 AromaticContact CZ-CE1 3.31Å; F10-H39 WeakPolarHBondContact CZ-CE1 3.35Å; F10-H39 AromaticContact CZ-ND1 3.62Å; A28-H39 PolarHBondContact O-NE2 2.96Å; W33-H39 HydrophobicContact CB-CB 4.02Å; W33-H39 AromaticContact CD1-CD2 3.8Å; W33-H39 HydrophobicContact CD2-CB 4.26Å; W33-H39 AromaticContact CD2-CD2 3.43Å; W33-H39 VanDerWaalsContact CD2-CD2 3.43Å; W33-H39 AromaticContact CE2-CD2 3.56Å; W33-H39 HydrophobicContact CE3-CB 4.12Å; W33-H39 AromaticContact CE3-CD2 3.87Å; W33-H39 HydrophobicContact CG-CB 4.26Å; W33-H39 AromaticContact CG-CD2 3.6Å; W33-H39 AromaticContact CG-CG 3.99Å; W33-H39 AromaticContact NE1-CD2 3.78Å; W33-H39 AromaticContact NE1-NE2 3.99Å; N35-H39 PolarHBondContact O-N 3.35Å; N35-H39 VanDerWaalsContact O-N 3.11Å; I36-H39 PolarHBondContact O-N 3.43Å; S37-H39 PolarHBondContact O-N 3.15Å; H39-V42 PolarHBondContact O-N 2.92Å; H39-L43 WeakPolarHBondContact O-CG 3.17Å; H39-L43 PolarHBondContact O-N 2.91Å |
| 40 | R | 79 | Confident | 77.5 | Confident | 189 Ų | 189 | 58.6 Ų | 58.6 | 71% | 0.713 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.5 | -44.6 | 174.5 | -171.9 | -179.9 | -178.8 | 174.3 | -0.4 | 111.3 | I36 S37 V42 L43 S44 | I36-R40 WeakPolarHBondContact O-CB 3.34Å; I36-R40 PolarHBondContact O-N 3.06Å; S37-R40 WeakPolarHBondContact O-CA 3.44Å; S37-R40 WeakPolarHBondContact O-CB 3.32Å; S37-R40 PolarHBondContact O-N 2.98Å; R40-V42 PolarHBondContact O-N 2.87Å; R40-L43 PolarHBondContact O-N 3.14Å; R40-S44 WeakPolarHBondContact O-CB 3.2Å; R40-S44 PolarHBondContact O-N 3.06Å |
| 41 | D | 79.9 | Confident | 78.3 | Confident | 57 Ų | 57 | 62.1 Ų | 62.1 | 31% | 0.305 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.4 | -47.6 | 176.3 | -59.2 | -9.5 | 0 | 0 | 0 | 109.9 | S37 L43 S44 V45 E78 A81 | S37-D41 PolarHBondContact O-N 3.35Å; D41-L43 PolarHBondContact O-N 2.96Å; D41-S44 PolarHBondContact O-N 3.31Å; D41-S44 VanDerWaalsContact O-N 3.14Å; D41-S44 PolarHBondContact O-OG 3.32Å; D41-V45 WeakPolarHBondContact O-CB 3.27Å; D41-V45 WeakPolarHBondContact O-CG2 3.34Å; D41-V45 PolarHBondContact O-N 3.29Å; D41-E78 WeakPolarHBondContact CA-OE2 3.32Å; D41-E78 WeakPolarHBondContact CB-OE2 3.42Å; D41-A81 HydrophobicContact CB-CB 4.05Å |
| 42 | V | 83.6 | Confident | 78.9 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 175.5 | 168.6 | 0 | 0 | 0 | 0 | 112.8 | A28 W33 M38 H39 R40 S44 L46 A81 Y84 L85 | A28-V42 HydrophobicContact CB-CG1 4.42Å; W33-V42 HydrophobicContact CH2-CB 4.4Å; W33-V42 HydrophobicContact CH2-CG1 4.16Å; W33-V42 HydrophobicContact CH2-CG2 4Å; W33-V42 HydrophobicContact CZ3-CG2 4Å; M38-V42 WeakPolarHBondContact O-CB 2.81Å; M38-V42 WeakPolarHBondContact O-CG2 3.48Å; M38-V42 PolarHBondContact O-N 3.38Å; H39-V42 PolarHBondContact O-N 2.92Å; R40-V42 PolarHBondContact O-N 2.87Å; V42-S44 VanDerWaalsContact C-N 3.34Å; V42-L46 WeakPolarHBondContact O-CB 3.47Å; V42-L46 PolarHBondContact O-N 3.23Å; V42-A81 HydrophobicContact CB-CB 4.4Å; V42-A81 HydrophobicContact CG2-CB 3.66Å; V42-Y84 HydrophobicContact CG1-CD1 4.37Å; V42-Y84 HydrophobicContact CG2-CD1 4.3Å; V42-L85 HydrophobicContact CG1-CD1 4.42Å; V42-L85 HydrophobicContact CG1-CD2 3.76Å; V42-L85 HydrophobicContact CG1-CG 4.06Å |
| 43 | L | 81.8 | Confident | 79.7 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.9 | -35.8 | 176.7 | -69.3 | 176.8 | 0 | 0 | 0 | 111.7 | W13 A14 T18 L29 H39 R40 D41 L46 A47 | W13-L43 HydrophobicContact CZ3-CD1 3.92Å; A14-L43 HydrophobicContact CB-CD1 4.35Å; A14-L43 HydrophobicContact CB-CD2 4.33Å; T18-L43 HydrophobicContact CG2-CB 4.28Å; T18-L43 HydrophobicContact CG2-CD2 3.8Å; L29-L43 HydrophobicContact CD2-CD2 3.84Å; H39-L43 WeakPolarHBondContact O-CG 3.17Å; H39-L43 PolarHBondContact O-N 2.91Å; R40-L43 PolarHBondContact O-N 3.14Å; D41-L43 PolarHBondContact O-N 2.96Å; L43-L46 PolarHBondContact O-N 2.95Å; L43-A47 WeakPolarHBondContact O-CB 3.33Å; L43-A47 PolarHBondContact O-N 3.39Å |
| 44 | S | 82.9 | Confident | 80.2 | Confident | 51 Ų | 51 | 55.2 Ų | 55.2 | 36% | 0.357 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.1 | -44.3 | 178.9 | 86.9 | 0 | 0 | 0 | 0 | 111.8 | R40 D41 V42 A47 A48 E78 | R40-S44 WeakPolarHBondContact O-CB 3.2Å; R40-S44 PolarHBondContact O-N 3.06Å; D41-S44 PolarHBondContact O-N 3.31Å; D41-S44 VanDerWaalsContact O-N 3.14Å; D41-S44 PolarHBondContact O-OG 3.32Å; V42-S44 VanDerWaalsContact C-N 3.34Å; S44-A47 PolarHBondContact O-N 3.46Å; S44-A48 WeakPolarHBondContact O-CB 3.34Å; S44-A48 PolarHBondContact O-N 3.09Å; S44-E78 PolarHBondContact OG-OE2 3.43Å |
| 45 | V | 81.8 | Confident | 81.1 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 174 | 171.4 | 0 | 0 | 0 | 0 | 110.1 | D41 A48 V49 L69 L72 E78 A81 V82 L85 | D41-V45 WeakPolarHBondContact O-CB 3.27Å; D41-V45 WeakPolarHBondContact O-CG2 3.34Å; D41-V45 PolarHBondContact O-N 3.29Å; V45-A48 PolarHBondContact O-N 3.35Å; V45-V49 HydrophobicContact CG1-CG2 4.21Å; V45-V49 WeakPolarHBondContact O-CB 3.48Å; V45-V49 VanDerWaalsContact O-CG2 3.24Å; V45-V49 WeakPolarHBondContact O-CG2 3.38Å; V45-V49 PolarHBondContact O-N 3.37Å; V45-L69 HydrophobicContact CG1-CD2 4.43Å; V45-L72 HydrophobicContact CG1-CD2 4.03Å; V45-E78 HydrophobicContact CG2-CB 4.01Å; V45-E78 VanDerWaalsContact CG2-OE2 3.27Å; V45-E78 WeakPolarHBondContact CG2-OE2 3.25Å; V45-A81 HydrophobicContact CG2-CB 4.01Å; V45-V82 HydrophobicContact CG1-CG2 3.63Å; V45-V82 HydrophobicContact CG2-CG2 4.29Å; V45-L85 HydrophobicContact CB-CD1 4.13Å; V45-L85 HydrophobicContact CG1-CD1 3.7Å |
| 46 | L | 82.3 | Confident | 81.5 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 176.6 | -176.7 | 62.2 | 0 | 0 | 0 | 110.6 | T18 C20 F25 L29 V42 L43 A48 V49 T50 Y65 L85 | T18-L46 HydrophobicContact CG2-CB 4.4Å; T18-L46 HydrophobicContact CG2-CD2 4.06Å; T18-L46 HydrophobicContact CG2-CG 4.32Å; C20-L46 HydrophobicContact CB-CD2 4.33Å; C20-L46 HydrophobicContact CB-CG 4.44Å; F25-L46 HydrophobicContact CB-CD2 4.11Å; F25-L46 HydrophobicContact CD1-CD1 4.17Å; F25-L46 HydrophobicContact CD2-CD1 3.88Å; F25-L46 HydrophobicContact CE1-CD1 4.16Å; F25-L46 HydrophobicContact CE2-CD1 3.86Å; F25-L46 HydrophobicContact CG-CD1 4.02Å; F25-L46 HydrophobicContact CG-CD2 4.23Å; F25-L46 HydrophobicContact CZ-CD1 3.98Å; L29-L46 HydrophobicContact CD2-CD2 4.32Å; V42-L46 WeakPolarHBondContact O-CB 3.47Å; V42-L46 PolarHBondContact O-N 3.23Å; L43-L46 PolarHBondContact O-N 2.95Å; L46-A48 VanDerWaalsContact C-N 3.35Å; L46-A48 PolarHBondContact O-N 2.87Å; L46-V49 PolarHBondContact O-N 2.77Å; L46-T50 VanDerWaalsContact O-CB 3.29Å; L46-T50 WeakPolarHBondContact O-CB 3.3Å; L46-T50 PolarHBondContact O-N 3.14Å; L46-T50 PolarHBondContact O-OG1 3.5Å; L46-Y65 HydrophobicContact CD1-CE1 4.12Å; L46-L85 HydrophobicContact CB-CD1 4.1Å; L46-L85 HydrophobicContact CD1-CD2 4.4Å |
| 47 | A | 82.1 | Confident | 81.7 | Confident | 29 Ų | 29 | 54.1 Ų | 54.1 | 24% | 0.24 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T18 L43 S44 K51 | T18-A47 HydrophobicContact CG2-CB 4.49Å; L43-A47 WeakPolarHBondContact O-CB 3.33Å; L43-A47 PolarHBondContact O-N 3.39Å; S44-A47 PolarHBondContact O-N 3.46Å; A47-K51 VanDerWaalsContact O-CB 3.29Å; A47-K51 WeakPolarHBondContact O-CB 3.21Å; A47-K51 PolarHBondContact O-N 2.82Å |
| 48 | A | 84 | Confident | 81.7 | Confident | 54 Ų | 54 | 52.2 Ų | 52.2 | 45% | 0.446 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63 | -46.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S44 V45 L46 K51 T52 | S44-A48 WeakPolarHBondContact O-CB 3.34Å; S44-A48 PolarHBondContact O-N 3.09Å; V45-A48 PolarHBondContact O-N 3.35Å; L46-A48 VanDerWaalsContact C-N 3.35Å; L46-A48 PolarHBondContact O-N 2.87Å; A48-K51 PolarHBondContact O-N 3.27Å; A48-T52 WeakPolarHBondContact O-CG2 3.36Å; A48-T52 PolarHBondContact O-N 2.84Å; A48-T52 PolarHBondContact O-OG1 2.82Å |
| 49 | V | 83.4 | Confident | 81.8 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 178.7 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | V45 L46 K51 T52 I53 Y65 A68 L69 L72 | V45-V49 HydrophobicContact CG1-CG2 4.21Å; V45-V49 WeakPolarHBondContact O-CB 3.48Å; V45-V49 VanDerWaalsContact O-CG2 3.24Å; V45-V49 WeakPolarHBondContact O-CG2 3.38Å; V45-V49 PolarHBondContact O-N 3.37Å; L46-V49 PolarHBondContact O-N 2.77Å; V49-K51 VanDerWaalsContact C-N 3.28Å; V49-K51 PolarHBondContact O-N 3.49Å; V49-T52 WeakPolarHBondContact CA-OG1 3.47Å; V49-T52 PolarHBondContact O-N 3.14Å; V49-T52 VanDerWaalsContact O-N 3.16Å; V49-T52 PolarHBondContact O-OG1 3.35Å; V49-I53 HydrophobicContact CG1-CD1 3.78Å; V49-I53 HydrophobicContact CG1-CG1 4.4Å; V49-I53 VanDerWaalsContact O-CG1 3.32Å; V49-I53 WeakPolarHBondContact O-CG1 3.4Å; V49-I53 PolarHBondContact O-N 3.29Å; V49-Y65 HydrophobicContact CG1-CD1 3.72Å; V49-Y65 HydrophobicContact CG1-CE1 4.03Å; V49-A68 HydrophobicContact CG1-CB 3.95Å; V49-L69 HydrophobicContact CG1-CG 4.45Å; V49-L69 HydrophobicContact CG2-CD2 3.87Å; V49-L72 HydrophobicContact CG2-CD2 3.42Å; V49-L72 VanDerWaalsContact CG2-CD2 3.42Å |
| 50 | T | 83.2 | Confident | 81.7 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.6 | -43.5 | 176 | -62.4 | 0 | 0 | 0 | 0 | 110.8 | C20 L46 I53 K54 Y65 | C20-T50 HydrophobicContact CB-CG2 4.47Å; L46-T50 VanDerWaalsContact O-CB 3.29Å; L46-T50 WeakPolarHBondContact O-CB 3.3Å; L46-T50 PolarHBondContact O-N 3.14Å; L46-T50 PolarHBondContact O-OG1 3.5Å; T50-I53 PolarHBondContact O-N 3.09Å; T50-K54 HydrophobicContact CG2-CD 4.28Å; T50-K54 WeakPolarHBondContact O-CG 3.33Å; T50-K54 PolarHBondContact O-N 3.07Å; T50-Y65 WeakPolarHBondContact CG2-OH 3.33Å; T50-Y65 WeakPolarHBondContact OG1-CE1 3.4Å; T50-Y65 PolarHBondContact OG1-OH 2.89Å |
| 51 | K | 84.2 | Confident | 81.8 | Confident | 131 Ų | 131 | 51.9 Ų | 51.9 | 57% | 0.57 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.8 | -46.8 | 175 | -170.3 | 178.5 | 177.8 | -178.5 | 0 | 111.9 | A47 A48 V49 I53 K54 D55 | A47-K51 VanDerWaalsContact O-CB 3.29Å; A47-K51 WeakPolarHBondContact O-CB 3.21Å; A47-K51 PolarHBondContact O-N 2.82Å; A48-K51 PolarHBondContact O-N 3.27Å; V49-K51 VanDerWaalsContact C-N 3.28Å; V49-K51 PolarHBondContact O-N 3.49Å; K51-I53 VanDerWaalsContact C-N 3.27Å; K51-I53 PolarHBondContact O-N 2.98Å; K51-K54 PolarHBondContact O-N 3.39Å; K51-K54 VanDerWaalsContact O-N 3.16Å; K51-D55 WeakPolarHBondContact O-CB 3.46Å; K51-D55 PolarHBondContact O-N 3.3Å |
| 52 | T | 83.1 | Confident | 81.7 | Confident | 68 Ų | 68 | 51 Ų | 51 | 42% | 0.417 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.8 | -33.4 | 177.2 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | A48 V49 N56 | A48-T52 WeakPolarHBondContact O-CG2 3.36Å; A48-T52 PolarHBondContact O-N 2.84Å; A48-T52 PolarHBondContact O-OG1 2.82Å; V49-T52 WeakPolarHBondContact CA-OG1 3.47Å; V49-T52 PolarHBondContact O-N 3.14Å; V49-T52 VanDerWaalsContact O-N 3.16Å; V49-T52 PolarHBondContact O-OG1 3.35Å; T52-N56 WeakPolarHBondContact O-CB 3.36Å; T52-N56 VanDerWaalsContact O-CG 3.26Å; T52-N56 PolarHBondContact O-N 3.31Å; T52-N56 PolarHBondContact O-ND2 3.4Å; T52-N56 VanDerWaalsContact O-ND2 3.15Å |
| 53 | I | 83.8 | Confident | 81.6 | Confident | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.3 | -43.9 | 175.9 | -68.1 | 167.6 | 0 | 0 | 0 | 110.2 | V49 T50 K51 N56 G57 G58 E64 Y65 A68 | V49-I53 HydrophobicContact CG1-CD1 3.78Å; V49-I53 HydrophobicContact CG1-CG1 4.4Å; V49-I53 VanDerWaalsContact O-CG1 3.32Å; V49-I53 WeakPolarHBondContact O-CG1 3.4Å; V49-I53 PolarHBondContact O-N 3.29Å; T50-I53 PolarHBondContact O-N 3.09Å; K51-I53 VanDerWaalsContact C-N 3.27Å; K51-I53 PolarHBondContact O-N 2.98Å; I53-N56 PolarHBondContact O-N 2.94Å; I53-G57 PolarHBondContact O-N 2.84Å; I53-G58 WeakPolarHBondContact O-CA 3.44Å; I53-G58 PolarHBondContact O-N 3.02Å; I53-E64 HydrophobicContact CD1-CB 4.27Å; I53-E64 HydrophobicContact CG1-CB 4.45Å; I53-E64 HydrophobicContact CG2-CB 4.26Å; I53-E64 WeakPolarHBondContact CG2-OE2 3.47Å; I53-Y65 HydrophobicContact CD1-CD1 3.48Å; I53-Y65 VanDerWaalsContact CD1-CD1 3.48Å; I53-Y65 HydrophobicContact CD1-CD2 4.08Å; I53-Y65 HydrophobicContact CD1-CE1 3.59Å; I53-Y65 HydrophobicContact CD1-CE2 4.18Å; I53-Y65 HydrophobicContact CD1-CG 3.73Å; I53-A68 HydrophobicContact CG1-CB 4.45Å |
| 54 | K | 84.1 | Confident | 81.7 | Confident | 74 Ų | 74 | 56.1 Ų | 56.1 | 32% | 0.322 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 176.5 | -72.5 | -179.9 | -177.1 | -177.5 | 0 | 112.2 | E19 T50 K51 N56 G57 E60 | E19-K54 PolarHBondContact O-NZ 3.35Å; E19-K54 IonicContact OE2-NZ 2.81Å; E19-K54 PolarHBondContact OE2-NZ 2.85Å; T50-K54 HydrophobicContact CG2-CD 4.28Å; T50-K54 WeakPolarHBondContact O-CG 3.33Å; T50-K54 PolarHBondContact O-N 3.07Å; K51-K54 PolarHBondContact O-N 3.39Å; K51-K54 VanDerWaalsContact O-N 3.16Å; K54-N56 PolarHBondContact O-N 3.27Å; K54-G57 WeakPolarHBondContact O-CA 3.34Å; K54-G57 PolarHBondContact O-N 3.26Å; K54-E60 WeakPolarHBondContact CE-OE1 3.45Å; K54-E60 IonicContact NZ-OE1 2.67Å |
| 55 | D | 83.2 | Confident | 81.8 | Confident | 113 Ų | 113 | 53.8 Ų | 53.8 | 60% | 0.604 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.8 | -32.9 | 178.9 | -69.1 | -15.9 | 0 | 0 | 0 | 111.5 | K51 G57 | K51-D55 WeakPolarHBondContact O-CB 3.46Å; K51-D55 PolarHBondContact O-N 3.3Å; D55-G57 VanDerWaalsContact C-N 3.25Å; D55-G57 PolarHBondContact O-N 3.38Å |
| 56 | N | 82.2 | Confident | 81.9 | Confident | 144 Ų | 144 | 53.5 Ų | 53.5 | 77% | 0.77 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 3.3 | 173.3 | -69.9 | -25.3 | 0 | 0 | 0 | 113.9 | T52 I53 K54 | T52-N56 WeakPolarHBondContact O-CB 3.36Å; T52-N56 VanDerWaalsContact O-CG 3.26Å; T52-N56 PolarHBondContact O-N 3.31Å; T52-N56 PolarHBondContact O-ND2 3.4Å; T52-N56 VanDerWaalsContact O-ND2 3.15Å; I53-N56 PolarHBondContact O-N 2.94Å; K54-N56 PolarHBondContact O-N 3.27Å |
| 57 | G | 79.3 | Confident | 81.9 | Confident | 66 Ų | 66 | 56 Ų | 56 | 68% | 0.68 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 21.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I53 K54 D55 | I53-G57 PolarHBondContact O-N 2.84Å; K54-G57 WeakPolarHBondContact O-CA 3.34Å; K54-G57 PolarHBondContact O-N 3.26Å; D55-G57 VanDerWaalsContact C-N 3.25Å; D55-G57 PolarHBondContact O-N 3.38Å |
| 58 | G | 77.3 | Confident | 82 | Confident | 27 Ų | 27 | 55.8 Ų | 55.8 | 28% | 0.278 | 33% | 0.326 | S | S | . | . | trans | -73.2 | 161.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | I53 E64 | I53-G58 WeakPolarHBondContact O-CA 3.44Å; I53-G58 PolarHBondContact O-N 3.02Å; G58-E64 WeakPolarHBondContact CA-OE2 3.37Å | ||
| 59 | K | 76.9 | Confident | 82.1 | Confident | 190 Ų | 190 | 53.2 Ų | 53.2 | 83% | 0.826 | 31% | 0.305 | S | S | * | . | trans | -94.6 | 15.9 | -179.1 | -68.1 | -176.2 | -179.6 | 177.4 | 0 | 113.5 | S61 E64 | K59-S61 PolarHBondContact O-N 2.91Å; K59-E64 PolarHBondContact N-OE1 2.89Å; K59-E64 PolarHBondContact N-OE2 2.92Å | ||
| 60 | E | 78.4 | Confident | 82 | Confident | 20 Ų | 20 | 54 Ų | 54 | 9% | 0.093 | 31% | 0.309 | C | S | . | . | trans | 56.4 | 30.3 | -173.3 | -64.9 | -175.2 | -160.9 | 0 | 0 | 112.5 | T21 N22 K54 E64 Y65 | T21-E60 WeakPolarHBondContact CB-OE2 3.36Å; T21-E60 PolarHBondContact N-OE2 2.91Å; T21-E60 PolarHBondContact OG1-OE2 3.48Å; N22-E60 PolarHBondContact ND2-O 3.48Å; K54-E60 WeakPolarHBondContact CE-OE1 3.45Å; K54-E60 IonicContact NZ-OE1 2.67Å; E60-E64 PolarHBondContact N-OE2 2.96Å; E60-E64 VanDerWaalsContact N-OE2 3.09Å; E60-Y65 HydrophobicContact CB-CE2 3.87Å; E60-Y65 HydrophobicContact CG-CE2 4.46Å; E60-Y65 WeakPolarHBondContact O-CE2 3.2Å | ||
| 61 | S | 81.4 | Confident | 82.1 | Confident | 28 Ų | 28 | 58 Ų | 58 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | trans | -67.4 | 145.9 | -178.6 | 67.3 | 0 | 0 | 0 | 0 | 110.1 | K59 T63 E64 Y65 | K59-S61 PolarHBondContact O-N 2.91Å; S61-T63 PolarHBondContact O-N 3.24Å; S61-T63 VanDerWaalsContact O-N 3.09Å; S61-T63 PolarHBondContact OG-OG1 3.38Å; S61-E64 PolarHBondContact N-OE2 3.03Å; S61-E64 WeakPolarHBondContact O-CB 3.44Å; S61-E64 PolarHBondContact O-N 2.84Å; S61-E64 WeakPolarHBondContact OG-CG 3.29Å; S61-E64 PolarHBondContact OG-N 3.47Å; S61-E64 PolarHBondContact OG-OE1 3.27Å; S61-Y65 WeakPolarHBondContact O-CD2 3.14Å; S61-Y65 PolarHBondContact O-N 2.92Å; S61-Y65 VanDerWaalsContact O-N 3.14Å | ||
| 62 | P | 77.8 | Confident | 82.1 | Confident | 40 Ų | 40 | 54.1 Ų | 54.1 | 26% | 0.26 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -56.6 | -28 | 177.5 | -22.5 | 30.5 | 0 | 0 | 0 | 113.7 | Y66 V89 A93 | P62-Y66 WeakPolarHBondContact O-CB 3.5Å; P62-Y66 PolarHBondContact O-N 3.08Å; P62-V89 WeakPolarHBondContact O-CG1 3.43Å; P62-A93 HydrophobicContact CB-CB 3.53Å; P62-A93 HydrophobicContact CG-CB 3.97Å |
| 63 | T | 80.6 | Confident | 82.1 | Confident | 63 Ų | 63 | 50.9 Ų | 50.9 | 39% | 0.387 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -70.2 | -37.9 | 176.6 | 49.8 | 0 | 0 | 0 | 0 | 112.4 | S61 Y66 A67 L98 | S61-T63 PolarHBondContact O-N 3.24Å; S61-T63 VanDerWaalsContact O-N 3.09Å; S61-T63 PolarHBondContact OG-OG1 3.38Å; T63-Y66 PolarHBondContact O-N 3.47Å; T63-A67 PolarHBondContact O-N 2.89Å; T63-L98 HydrophobicContact CG2-CD2 3.45Å; T63-L98 VanDerWaalsContact CG2-CD2 3.45Å |
| 64 | E | 83.5 | Confident | 81.8 | Confident | 58 Ų | 58 | 54.2 Ų | 54.2 | 27% | 0.271 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.1 | -45.9 | 172.8 | -74.9 | 155.8 | -142 | 0 | 0 | 111 | I53 G58 K59 E60 S61 Y66 A67 A68 | I53-E64 HydrophobicContact CD1-CB 4.27Å; I53-E64 HydrophobicContact CG1-CB 4.45Å; I53-E64 HydrophobicContact CG2-CB 4.26Å; I53-E64 WeakPolarHBondContact CG2-OE2 3.47Å; G58-E64 WeakPolarHBondContact CA-OE2 3.37Å; K59-E64 PolarHBondContact N-OE1 2.89Å; K59-E64 PolarHBondContact N-OE2 2.92Å; E60-E64 PolarHBondContact N-OE2 2.96Å; E60-E64 VanDerWaalsContact N-OE2 3.09Å; S61-E64 PolarHBondContact N-OE2 3.03Å; S61-E64 WeakPolarHBondContact O-CB 3.44Å; S61-E64 PolarHBondContact O-N 2.84Å; S61-E64 WeakPolarHBondContact OG-CG 3.29Å; S61-E64 PolarHBondContact OG-N 3.47Å; S61-E64 PolarHBondContact OG-OE1 3.27Å; E64-Y66 VanDerWaalsContact C-N 3.3Å; E64-Y66 PolarHBondContact O-N 3.02Å; E64-A67 PolarHBondContact O-N 3.28Å; E64-A68 WeakPolarHBondContact O-CB 3.37Å; E64-A68 PolarHBondContact O-N 2.96Å |
| 65 | Y | 84.8 | Confident | 81.5 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 0% | 0.004 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.1 | -41.5 | 174.5 | -80.4 | -74.4 | 0 | 0 | 0 | 111.9 | C20 N22 F25 L46 V49 T50 I53 E60 S61 L69 | C20-Y65 PolarHBondContact SG-OH 2.81Å; N22-Y65 HydrophobicContact CB-CE2 3.98Å; F25-Y65 AromaticContact CE2-CD1 3.83Å; F25-Y65 HydrophobicContact CE2-CD1 3.83Å; F25-Y65 HydrophobicContact CE2-CD2 4.01Å; F25-Y65 AromaticContact CE2-CE1 3.97Å; F25-Y65 HydrophobicContact CE2-CE1 3.97Å; F25-Y65 HydrophobicContact CE2-CE2 4.13Å; F25-Y65 AromaticContact CE2-CG 3.87Å; F25-Y65 HydrophobicContact CE2-CG 3.87Å; F25-Y65 AromaticContact CZ-CD1 3.93Å; F25-Y65 HydrophobicContact CZ-CD1 3.93Å; F25-Y65 HydrophobicContact CZ-CE1 4.43Å; F25-Y65 HydrophobicContact CZ-CG 4.03Å; L46-Y65 HydrophobicContact CD1-CE1 4.12Å; V49-Y65 HydrophobicContact CG1-CD1 3.72Å; V49-Y65 HydrophobicContact CG1-CE1 4.03Å; T50-Y65 WeakPolarHBondContact CG2-OH 3.33Å; T50-Y65 WeakPolarHBondContact OG1-CE1 3.4Å; T50-Y65 PolarHBondContact OG1-OH 2.89Å; I53-Y65 HydrophobicContact CD1-CD1 3.48Å; I53-Y65 VanDerWaalsContact CD1-CD1 3.48Å; I53-Y65 HydrophobicContact CD1-CD2 4.08Å; I53-Y65 HydrophobicContact CD1-CE1 3.59Å; I53-Y65 HydrophobicContact CD1-CE2 4.18Å; I53-Y65 HydrophobicContact CD1-CG 3.73Å; E60-Y65 HydrophobicContact CB-CE2 3.87Å; E60-Y65 HydrophobicContact CG-CE2 4.46Å; E60-Y65 WeakPolarHBondContact O-CE2 3.2Å; S61-Y65 WeakPolarHBondContact O-CD2 3.14Å; S61-Y65 PolarHBondContact O-N 2.92Å; S61-Y65 VanDerWaalsContact O-N 3.14Å; Y65-L69 WeakPolarHBondContact O-CB 3.46Å; Y65-L69 WeakPolarHBondContact O-CD1 3.33Å; Y65-L69 WeakPolarHBondContact O-CG 3.2Å; Y65-L69 PolarHBondContact O-N 2.85Å |
| 66 | Y | 84.6 | Confident | 81.1 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 2% | 0.02 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.3 | -50.8 | 176.1 | 169.8 | -106.4 | 0 | 0 | 0 | 111.9 | P62 T63 E64 L69 L70 L86 M90 V94 L98 L99 T102 A106 | P62-Y66 WeakPolarHBondContact O-CB 3.5Å; P62-Y66 PolarHBondContact O-N 3.08Å; T63-Y66 PolarHBondContact O-N 3.47Å; E64-Y66 VanDerWaalsContact C-N 3.3Å; E64-Y66 PolarHBondContact O-N 3.02Å; Y66-L69 PolarHBondContact O-N 2.63Å; Y66-L70 HydrophobicContact CE2-CD1 4.16Å; Y66-L70 VanDerWaalsContact O-CB 3.32Å; Y66-L70 WeakPolarHBondContact O-CB 3.44Å; Y66-L70 PolarHBondContact O-N 3.05Å; Y66-L86 HydrophobicContact CD2-CD1 3.74Å; Y66-L86 HydrophobicContact CE2-CD1 4.09Å; Y66-M90 HydrophobicContact CD2-CG 3.76Å; Y66-M90 HydrophobicContact CD2-SD 4.33Å; Y66-M90 HydrophobicContact CE2-CE 4.17Å; Y66-M90 HydrophobicContact CE2-CG 3.81Å; Y66-M90 HydrophobicContact CE2-SD 3.9Å; Y66-V94 HydrophobicContact CD2-CG2 4.33Å; Y66-V94 HydrophobicContact CG-CG2 4.21Å; Y66-L98 HydrophobicContact CD1-CD2 4.06Å; Y66-L98 HydrophobicContact CE1-CD2 4.49Å; Y66-L99 HydrophobicContact CE2-CD2 4.21Å; Y66-T102 HydrophobicContact CE1-CG2 4.18Å; Y66-T102 WeakPolarHBondContact CE1-OG1 3.42Å; Y66-T102 PolarHBondContact OH-OG1 2.89Å; Y66-A106 VanDerWaalsContact OH-CB 3.32Å; Y66-A106 WeakPolarHBondContact OH-CB 3.17Å |
| 67 | A | 82.8 | Confident | 80.7 | Confident | 54 Ų | 54 | 53.3 Ų | 53.3 | 45% | 0.446 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T63 E64 L70 T71 | T63-A67 PolarHBondContact O-N 2.89Å; E64-A67 PolarHBondContact O-N 3.28Å; A67-L70 PolarHBondContact O-N 3.32Å; A67-T71 PolarHBondContact O-N 3.14Å; A67-T71 VanDerWaalsContact O-N 3.15Å; A67-T71 PolarHBondContact O-OG1 3.43Å |
| 68 | A | 83.9 | Confident | 80.7 | Confident | 23 Ų | 23 | 53.7 Ų | 53.7 | 19% | 0.19 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.5 | -40 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V49 I53 E64 T71 L72 | V49-A68 HydrophobicContact CG1-CB 3.95Å; I53-A68 HydrophobicContact CG1-CB 4.45Å; E64-A68 WeakPolarHBondContact O-CB 3.37Å; E64-A68 PolarHBondContact O-N 2.96Å; A68-T71 PolarHBondContact O-OG1 3.23Å; A68-L72 WeakPolarHBondContact O-CB 3.46Å; A68-L72 PolarHBondContact O-N 2.97Å |
| 69 | L | 84.9 | Confident | 80.8 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.4 | -34.6 | 177 | -71.4 | 167.7 | 0 | 0 | 0 | 112 | V45 V49 Y65 Y66 I73 V82 L85 L86 V89 | V45-L69 HydrophobicContact CG1-CD2 4.43Å; V49-L69 HydrophobicContact CG1-CG 4.45Å; V49-L69 HydrophobicContact CG2-CD2 3.87Å; Y65-L69 WeakPolarHBondContact O-CB 3.46Å; Y65-L69 WeakPolarHBondContact O-CD1 3.33Å; Y65-L69 WeakPolarHBondContact O-CG 3.2Å; Y65-L69 PolarHBondContact O-N 2.85Å; Y66-L69 PolarHBondContact O-N 2.63Å; L69-I73 WeakPolarHBondContact O-CB 3.38Å; L69-I73 PolarHBondContact O-N 2.87Å; L69-V82 HydrophobicContact CB-CG1 4.42Å; L69-V82 HydrophobicContact CD2-CG1 4.02Å; L69-V82 WeakPolarHBondContact O-CG1 3.49Å; L69-L85 HydrophobicContact CD1-CB 3.84Å; L69-L85 HydrophobicContact CD2-CB 4.01Å; L69-L85 HydrophobicContact CD2-CD1 4.23Å; L69-L86 HydrophobicContact CB-CB 4.41Å; L69-L86 HydrophobicContact CB-CD1 4.16Å; L69-V89 HydrophobicContact CD1-CG2 3.94Å |
| 70 | L | 82.8 | Confident | 81 | Confident | 20 Ų | 20 | 47.9 Ų | 47.9 | 11% | 0.105 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.8 | -34 | 178 | -164.5 | 106.5 | 0 | 0 | 0 | 112.4 | Y66 A67 I73 L86 A106 | Y66-L70 HydrophobicContact CE2-CD1 4.16Å; Y66-L70 VanDerWaalsContact O-CB 3.32Å; Y66-L70 WeakPolarHBondContact O-CB 3.44Å; Y66-L70 PolarHBondContact O-N 3.05Å; A67-L70 PolarHBondContact O-N 3.32Å; L70-I73 VanDerWaalsContact O-CG2 3.22Å; L70-I73 WeakPolarHBondContact O-CG2 3.42Å; L70-L86 HydrophobicContact CD1-CD2 4.48Å; L70-A106 HydrophobicContact CD1-CB 3.67Å; L70-A106 HydrophobicContact CD2-CB 4.44Å |
| 71 | T | 83.6 | Confident | 81.1 | Confident | 85 Ų | 85 | 47.1 Ų | 47.1 | 52% | 0.521 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -75.4 | -46.1 | 173.3 | 53.7 | 0 | 0 | 0 | 0 | 111 | A67 A68 I73 N74 | A67-T71 PolarHBondContact O-N 3.14Å; A67-T71 VanDerWaalsContact O-N 3.15Å; A67-T71 PolarHBondContact O-OG1 3.43Å; A68-T71 PolarHBondContact O-OG1 3.23Å; T71-I73 PolarHBondContact O-N 3.05Å; T71-I73 VanDerWaalsContact O-N 3.16Å; T71-N74 PolarHBondContact O-N 2.96Å |
| 72 | L | 85 | Confident | 81.2 | Confident | 48 Ų | 48 | 45.8 Ų | 45.8 | 25% | 0.251 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.1 | -27.5 | -178.6 | -173.6 | 63.6 | 0 | 0 | 0 | 113.1 | V45 V49 A68 N74 E75 S76 V82 | V45-L72 HydrophobicContact CG1-CD2 4.03Å; V49-L72 HydrophobicContact CG2-CD2 3.42Å; V49-L72 VanDerWaalsContact CG2-CD2 3.42Å; A68-L72 WeakPolarHBondContact O-CB 3.46Å; A68-L72 PolarHBondContact O-N 2.97Å; L72-N74 PolarHBondContact O-N 2.89Å; L72-E75 PolarHBondContact O-N 3.02Å; L72-S76 WeakPolarHBondContact O-CB 3.41Å; L72-S76 PolarHBondContact O-N 3.3Å; L72-S76 PolarHBondContact O-OG 2.63Å; L72-V82 HydrophobicContact CB-CG1 4.49Å; L72-V82 HydrophobicContact CD2-CG2 4Å; L72-V82 HydrophobicContact CG-CG2 4.12Å |
| 73 | I | 83 | Confident | 81.4 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.2 | -25.9 | -179 | -151.5 | 173.3 | 0 | 0 | 0 | 113.3 | L69 L70 T71 V82 A83 L86 L110 L113 | L69-I73 WeakPolarHBondContact O-CB 3.38Å; L69-I73 PolarHBondContact O-N 2.87Å; L70-I73 VanDerWaalsContact O-CG2 3.22Å; L70-I73 WeakPolarHBondContact O-CG2 3.42Å; T71-I73 PolarHBondContact O-N 3.05Å; T71-I73 VanDerWaalsContact O-N 3.16Å; I73-V82 HydrophobicContact CB-CG1 3.77Å; I73-V82 HydrophobicContact CD1-CG1 4.49Å; I73-V82 HydrophobicContact CG1-CB 4.35Å; I73-V82 HydrophobicContact CG1-CG1 3.88Å; I73-A83 HydrophobicContact CD1-CB 4Å; I73-L86 HydrophobicContact CD1-CD2 4.12Å; I73-L110 HydrophobicContact CD1-CD2 4.38Å; I73-L113 HydrophobicContact CD1-CD1 3.52Å; I73-L113 HydrophobicContact CG1-CD1 3.52Å |
| 74 | N | 76.8 | Confident | 81.6 | Confident | 77 Ų | 77 | 43.9 Ų | 43.9 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -82 | -31.9 | 178 | -74.3 | -34.1 | 0 | 0 | 0 | 112.3 | T71 L72 | T71-N74 PolarHBondContact O-N 2.96Å; L72-N74 PolarHBondContact O-N 2.89Å |
| 75 | E | 78.3 | Confident | 81.6 | Confident | 168 Ų | 168 | 41.1 Ų | 41.1 | 79% | 0.785 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -98.1 | -29.3 | -171.2 | -64.2 | 177.8 | 176.9 | 0 | 0 | 113.4 | L72 | L72-E75 PolarHBondContact O-N 3.02Å |
| 76 | S | 75.5 | Confident | 81.6 | Confident | 19 Ų | 19 | 41 Ų | 41 | 13% | 0.133 | 23% | 0.231 | C | C | . | . | trans | -72.4 | 146.6 | -172.6 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | L72 K79 V82 | L72-S76 WeakPolarHBondContact O-CB 3.41Å; L72-S76 PolarHBondContact O-N 3.3Å; L72-S76 PolarHBondContact O-OG 2.63Å; S76-K79 WeakPolarHBondContact O-CE 3.23Å; S76-K79 WeakPolarHBondContact O-CG 3.32Å; S76-V82 WeakPolarHBondContact OG-CG2 3.04Å | ||
| 77 | S | 74.2 | Confident | 81.6 | Confident | 126 Ų | 126 | 43 Ų | 43 | 88% | 0.881 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -72.5 | -34.5 | 166.3 | -173 | 0 | 0 | 0 | 0 | 111.6 | K79 | S77-K79 VanDerWaalsContact C-N 3.29Å; S77-K79 PolarHBondContact O-N 3.47Å; S77-K79 VanDerWaalsContact O-N 3.12Å |
| 78 | E | 78.7 | Confident | 81.5 | Confident | 73 Ų | 73 | 41.2 Ų | 41.2 | 34% | 0.341 | 22% | 0.223 | S | C | . | . | trans | -88.5 | 48 | -176 | -62.6 | -177.9 | -165.1 | 0 | 0 | 113.2 | D41 S44 V45 V80 A81 V82 | D41-E78 WeakPolarHBondContact CA-OE2 3.32Å; D41-E78 WeakPolarHBondContact CB-OE2 3.42Å; S44-E78 PolarHBondContact OG-OE2 3.43Å; V45-E78 HydrophobicContact CG2-CB 4.01Å; V45-E78 VanDerWaalsContact CG2-OE2 3.27Å; V45-E78 WeakPolarHBondContact CG2-OE2 3.25Å; E78-V80 PolarHBondContact O-N 3.19Å; E78-A81 HydrophobicContact CB-CB 4.41Å; E78-A81 PolarHBondContact O-N 3.35Å; E78-A81 VanDerWaalsContact O-N 3.09Å; E78-V82 PolarHBondContact O-N 2.84Å | ||
| 79 | K | 79.5 | Confident | 81.5 | Confident | 59 Ų | 59 | 40.1 Ų | 40.1 | 26% | 0.257 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -54.7 | -33.8 | -171.9 | -62.9 | -176.2 | -179.9 | 177.8 | 0 | 114.5 | S76 S77 V82 A83 H117 L125 | S76-K79 WeakPolarHBondContact O-CE 3.23Å; S76-K79 WeakPolarHBondContact O-CG 3.32Å; S77-K79 VanDerWaalsContact C-N 3.29Å; S77-K79 PolarHBondContact O-N 3.47Å; S77-K79 VanDerWaalsContact O-N 3.12Å; K79-V82 PolarHBondContact O-N 3.09Å; K79-A83 WeakPolarHBondContact O-CB 3.49Å; K79-A83 PolarHBondContact O-N 3.01Å; K79-H117 WeakPolarHBondContact CD-NE2 3.37Å; K79-H117 PolarHBondContact NZ-NE2 2.85Å; K79-L125 HydrophobicContact CB-CD1 4.15Å; K79-L125 WeakPolarHBondContact O-CD1 3.41Å |
| 80 | V | 81.4 | Confident | 81.4 | Confident | 37 Ų | 37 | 40.1 Ų | 40.1 | 22% | 0.224 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.3 | -39.9 | -178 | -163.5 | 0 | 0 | 0 | 0 | 111.7 | M38 E78 Y84 C124 L125 | M38-V80 HydrophobicContact CE-CB 3.8Å; M38-V80 HydrophobicContact CE-CG1 3.25Å; E78-V80 PolarHBondContact O-N 3.19Å; V80-Y84 WeakPolarHBondContact O-CB 3.41Å; V80-Y84 PolarHBondContact O-N 2.92Å; V80-Y84 VanDerWaalsContact O-N 3.07Å; V80-C124 HydrophobicContact CG1-CB 3.81Å; V80-L125 HydrophobicContact CG1-CB 4.3Å; V80-L125 HydrophobicContact CG2-CB 4.19Å |
| 81 | A | 81.2 | Confident | 81.3 | Confident | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.7 | -46.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | D41 V42 V45 E78 A83 Y84 L85 | D41-A81 HydrophobicContact CB-CB 4.05Å; V42-A81 HydrophobicContact CB-CB 4.4Å; V42-A81 HydrophobicContact CG2-CB 3.66Å; V45-A81 HydrophobicContact CG2-CB 4.01Å; E78-A81 HydrophobicContact CB-CB 4.41Å; E78-A81 PolarHBondContact O-N 3.35Å; E78-A81 VanDerWaalsContact O-N 3.09Å; A81-A83 PolarHBondContact O-N 3.14Å; A81-Y84 PolarHBondContact O-N 3.03Å; A81-L85 WeakPolarHBondContact O-CG 3.18Å; A81-L85 PolarHBondContact O-N 2.95Å |
| 82 | V | 82.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.9 | -48 | 176.3 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | V45 L69 L72 I73 S76 E78 K79 Y84 L85 L86 | V45-V82 HydrophobicContact CG1-CG2 3.63Å; V45-V82 HydrophobicContact CG2-CG2 4.29Å; L69-V82 HydrophobicContact CB-CG1 4.42Å; L69-V82 HydrophobicContact CD2-CG1 4.02Å; L69-V82 WeakPolarHBondContact O-CG1 3.49Å; L72-V82 HydrophobicContact CB-CG1 4.49Å; L72-V82 HydrophobicContact CD2-CG2 4Å; L72-V82 HydrophobicContact CG-CG2 4.12Å; I73-V82 HydrophobicContact CB-CG1 3.77Å; I73-V82 HydrophobicContact CD1-CG1 4.49Å; I73-V82 HydrophobicContact CG1-CB 4.35Å; I73-V82 HydrophobicContact CG1-CG1 3.88Å; S76-V82 WeakPolarHBondContact OG-CG2 3.04Å; E78-V82 PolarHBondContact O-N 2.84Å; K79-V82 PolarHBondContact O-N 3.09Å; V82-Y84 VanDerWaalsContact C-N 3.32Å; V82-Y84 PolarHBondContact O-N 2.86Å; V82-L85 PolarHBondContact O-N 3.38Å; V82-L86 WeakPolarHBondContact O-CB 3.26Å; V82-L86 PolarHBondContact O-N 3.21Å |
| 83 | A | 82.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.4 | -35.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | I73 K79 A81 K87 L125 S128 V129 | I73-A83 HydrophobicContact CD1-CB 4Å; K79-A83 WeakPolarHBondContact O-CB 3.49Å; K79-A83 PolarHBondContact O-N 3.01Å; A81-A83 PolarHBondContact O-N 3.14Å; A83-K87 WeakPolarHBondContact O-CB 3.31Å; A83-K87 PolarHBondContact O-N 3.49Å; A83-L125 HydrophobicContact CB-CD1 3.5Å; A83-L125 VanDerWaalsContact CB-CD1 3.5Å; A83-S128 WeakPolarHBondContact CB-OG 3.38Å; A83-S128 WeakPolarHBondContact O-CB 3.33Å; A83-V129 HydrophobicContact CB-CG2 4.16Å |
| 84 | Y | 83.7 | Confident | 80.7 | Confident | 62 Ų | 62 | 42.8 Ų | 42.8 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.9 | -44.5 | 174.3 | 175.5 | -88.6 | 0 | 0 | 0 | 111.9 | W33 V42 V80 A81 V82 L86 K87 L88 | W33-Y84 AromaticContact CH2-CD1 3.56Å; W33-Y84 HydrophobicContact CH2-CD1 3.56Å; W33-Y84 HydrophobicContact CH2-CD2 4.3Å; W33-Y84 AromaticContact CH2-CE1 3.15Å; W33-Y84 HydrophobicContact CH2-CE1 3.15Å; W33-Y84 AromaticContact CH2-CE2 3.93Å; W33-Y84 HydrophobicContact CH2-CE2 3.93Å; W33-Y84 HydrophobicContact CH2-CG 4.12Å; W33-Y84 AromaticContact CH2-CZ 3.34Å; W33-Y84 HydrophobicContact CZ2-CD1 4.28Å; W33-Y84 AromaticContact CZ2-CE1 3.42Å; W33-Y84 HydrophobicContact CZ2-CE1 3.42Å; W33-Y84 VanDerWaalsContact CZ2-CE1 3.42Å; W33-Y84 HydrophobicContact CZ2-CE2 4.31Å; W33-Y84 AromaticContact CZ2-CZ 3.42Å; W33-Y84 VanDerWaalsContact CZ2-CZ 3.42Å; W33-Y84 VanDerWaalsContact CZ2-OH 3.25Å; W33-Y84 WeakPolarHBondContact CZ2-OH 3.41Å; W33-Y84 HydrophobicContact CZ3-CE1 4.37Å; V42-Y84 HydrophobicContact CG1-CD1 4.37Å; V42-Y84 HydrophobicContact CG2-CD1 4.3Å; V80-Y84 WeakPolarHBondContact O-CB 3.41Å; V80-Y84 PolarHBondContact O-N 2.92Å; V80-Y84 VanDerWaalsContact O-N 3.07Å; A81-Y84 PolarHBondContact O-N 3.03Å; V82-Y84 VanDerWaalsContact C-N 3.32Å; V82-Y84 PolarHBondContact O-N 2.86Å; Y84-L86 VanDerWaalsContact C-N 3.35Å; Y84-K87 WeakPolarHBondContact O-CB 3.18Å; Y84-K87 PolarHBondContact O-N 3.23Å; Y84-L88 HydrophobicContact CD1-CD1 4.06Å; Y84-L88 HydrophobicContact CD1-CG 4.36Å; Y84-L88 HydrophobicContact CE1-CD1 3.27Å; Y84-L88 HydrophobicContact CE1-CG 3.78Å; Y84-L88 PolarHBondContact O-N 3.43Å |
| 85 | L | 82.9 | Confident | 80.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63 | -43.7 | 175.4 | -71.2 | 173.1 | 0 | 0 | 0 | 110.8 | F25 V42 V45 L46 L69 A81 V82 K87 L88 V89 | F25-L85 HydrophobicContact CD1-CD2 3.7Å; F25-L85 HydrophobicContact CE1-CB 4.33Å; F25-L85 HydrophobicContact CE1-CD2 3.71Å; V42-L85 HydrophobicContact CG1-CD1 4.42Å; V42-L85 HydrophobicContact CG1-CD2 3.76Å; V42-L85 HydrophobicContact CG1-CG 4.06Å; V45-L85 HydrophobicContact CB-CD1 4.13Å; V45-L85 HydrophobicContact CG1-CD1 3.7Å; L46-L85 HydrophobicContact CB-CD1 4.1Å; L46-L85 HydrophobicContact CD1-CD2 4.4Å; L69-L85 HydrophobicContact CD1-CB 3.84Å; L69-L85 HydrophobicContact CD2-CB 4.01Å; L69-L85 HydrophobicContact CD2-CD1 4.23Å; A81-L85 WeakPolarHBondContact O-CG 3.18Å; A81-L85 PolarHBondContact O-N 2.95Å; V82-L85 PolarHBondContact O-N 3.38Å; L85-K87 VanDerWaalsContact C-N 3.32Å; L85-K87 PolarHBondContact O-N 3.2Å; L85-L88 WeakPolarHBondContact O-CB 3.49Å; L85-L88 PolarHBondContact O-N 3.26Å; L85-V89 WeakPolarHBondContact O-CG2 3.31Å; L85-V89 PolarHBondContact O-N 2.92Å |
| 86 | L | 85 | Confident | 80.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.2 | -45.3 | 176.1 | -177.7 | 62.8 | 0 | 0 | 0 | 111.2 | Y66 L69 L70 I73 V82 Y84 L88 V89 M90 L110 | Y66-L86 HydrophobicContact CD2-CD1 3.74Å; Y66-L86 HydrophobicContact CE2-CD1 4.09Å; L69-L86 HydrophobicContact CB-CB 4.41Å; L69-L86 HydrophobicContact CB-CD1 4.16Å; L70-L86 HydrophobicContact CD1-CD2 4.48Å; I73-L86 HydrophobicContact CD1-CD2 4.12Å; V82-L86 WeakPolarHBondContact O-CB 3.26Å; V82-L86 PolarHBondContact O-N 3.21Å; Y84-L86 VanDerWaalsContact C-N 3.35Å; L86-L88 VanDerWaalsContact C-N 3.34Å; L86-L88 PolarHBondContact O-N 3.4Å; L86-V89 PolarHBondContact O-N 3.02Å; L86-M90 HydrophobicContact CD1-CG 4.05Å; L86-M90 HydrophobicContact CD1-SD 3.77Å; L86-M90 HydrophobicContact CD2-SD 4.26Å; L86-M90 HydrophobicContact CG-CG 4.35Å; L86-M90 HydrophobicContact CG-SD 3.67Å; L86-M90 WeakPolarHBondContact O-CB 3.43Å; L86-M90 VanDerWaalsContact O-CG 3.29Å; L86-M90 WeakPolarHBondContact O-CG 3.22Å; L86-M90 PolarHBondContact O-N 2.91Å; L86-L110 HydrophobicContact CD2-CD2 3.98Å |
| 87 | K | 85.5 | Confident | 81.2 | Confident | 47 Ų | 47 | 42.2 Ų | 42.2 | 20% | 0.204 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.5 | -47.7 | 172.5 | 171.6 | -172.7 | 168.1 | 160.9 | 0 | 111.7 | A83 Y84 L85 V89 C91 T131 C132 | A83-K87 WeakPolarHBondContact O-CB 3.31Å; A83-K87 PolarHBondContact O-N 3.49Å; Y84-K87 WeakPolarHBondContact O-CB 3.18Å; Y84-K87 PolarHBondContact O-N 3.23Å; L85-K87 VanDerWaalsContact C-N 3.32Å; L85-K87 PolarHBondContact O-N 3.2Å; K87-V89 VanDerWaalsContact C-N 3.35Å; K87-V89 PolarHBondContact O-N 3.47Å; K87-C91 VanDerWaalsContact O-CB 3.25Å; K87-C91 WeakPolarHBondContact O-CB 3.42Å; K87-C91 PolarHBondContact O-N 2.95Å; K87-C91 PolarHBondContact O-SG 3.33Å; K87-T131 HydrophobicContact CD-CG2 4.23Å; K87-T131 HydrophobicContact CG-CG2 4.15Å; K87-C132 WeakPolarHBondContact CA-SG 3.36Å |
| 88 | L | 81.1 | Confident | 81.7 | Confident | 16 Ų | 16 | 38.4 Ų | 38.4 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | -179.7 | -76.3 | -178.3 | 0 | 0 | 0 | 111.7 | F25 A28 Y84 L85 L86 K92 | F25-L88 HydrophobicContact CD1-CD1 4.37Å; A28-L88 HydrophobicContact CB-CD1 4.43Å; Y84-L88 HydrophobicContact CD1-CD1 4.06Å; Y84-L88 HydrophobicContact CD1-CG 4.36Å; Y84-L88 HydrophobicContact CE1-CD1 3.27Å; Y84-L88 HydrophobicContact CE1-CG 3.78Å; Y84-L88 PolarHBondContact O-N 3.43Å; L85-L88 WeakPolarHBondContact O-CB 3.49Å; L85-L88 PolarHBondContact O-N 3.26Å; L86-L88 VanDerWaalsContact C-N 3.34Å; L86-L88 PolarHBondContact O-N 3.4Å; L88-K92 WeakPolarHBondContact O-CB 3.2Å; L88-K92 PolarHBondContact O-N 3.05Å; L88-K92 VanDerWaalsContact O-N 3.11Å |
| 89 | V | 84 | Confident | 81.8 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.3 | -52 | -179.7 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | F25 P62 L69 L85 L86 K87 C91 K92 A93 V94 | F25-V89 HydrophobicContact CE1-CG2 3.44Å; F25-V89 VanDerWaalsContact CE1-CG2 3.44Å; F25-V89 HydrophobicContact CE2-CG2 4.25Å; F25-V89 HydrophobicContact CZ-CG2 3.2Å; P62-V89 WeakPolarHBondContact O-CG1 3.43Å; L69-V89 HydrophobicContact CD1-CG2 3.94Å; L85-V89 WeakPolarHBondContact O-CG2 3.31Å; L85-V89 PolarHBondContact O-N 2.92Å; L86-V89 PolarHBondContact O-N 3.02Å; K87-V89 VanDerWaalsContact C-N 3.35Å; K87-V89 PolarHBondContact O-N 3.47Å; V89-C91 PolarHBondContact O-N 3.01Å; V89-K92 PolarHBondContact O-N 2.91Å; V89-A93 WeakPolarHBondContact O-CB 3.4Å; V89-A93 PolarHBondContact O-N 3.07Å; V89-V94 HydrophobicContact CG1-CG2 3.53Å; V89-V94 PolarHBondContact O-N 3.02Å |
| 90 | M | 82.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.2 | -37.3 | -178.5 | -68.1 | 175.6 | 73.9 | 0 | 0 | 113.1 | Y66 L86 L99 C132 K135 L136 | Y66-M90 HydrophobicContact CD2-CG 3.76Å; Y66-M90 HydrophobicContact CD2-SD 4.33Å; Y66-M90 HydrophobicContact CE2-CE 4.17Å; Y66-M90 HydrophobicContact CE2-CG 3.81Å; Y66-M90 HydrophobicContact CE2-SD 3.9Å; L86-M90 HydrophobicContact CD1-CG 4.05Å; L86-M90 HydrophobicContact CD1-SD 3.77Å; L86-M90 HydrophobicContact CD2-SD 4.26Å; L86-M90 HydrophobicContact CG-CG 4.35Å; L86-M90 HydrophobicContact CG-SD 3.67Å; L86-M90 WeakPolarHBondContact O-CB 3.43Å; L86-M90 VanDerWaalsContact O-CG 3.29Å; L86-M90 WeakPolarHBondContact O-CG 3.22Å; L86-M90 PolarHBondContact O-N 2.91Å; M90-L99 HydrophobicContact CE-CD2 4Å; M90-C132 HydrophobicContact CE-CB 3.98Å; M90-C132 WeakPolarHBondContact CE-O 3.46Å; M90-C132 HydrophobicContact SD-CB 3.62Å; M90-K135 HydrophobicContact CB-CG 4.48Å; M90-K135 WeakPolarHBondContact O-CE 3.45Å; M90-K135 WeakPolarHBondContact O-CG 3.22Å; M90-L136 HydrophobicContact CE-CD1 3.77Å; M90-L136 HydrophobicContact CE-CD2 3.76Å; M90-L136 HydrophobicContact CE-CG 3.37Å |
| 91 | C | 79.9 | Confident | 81.9 | Confident | 60 Ų | 60 | 44.4 Ų | 44.4 | 41% | 0.405 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -77.3 | -30.4 | -178.8 | -69.9 | 0 | 0 | 0 | 0 | 113.6 | K87 V89 | K87-C91 VanDerWaalsContact O-CB 3.25Å; K87-C91 WeakPolarHBondContact O-CB 3.42Å; K87-C91 PolarHBondContact O-N 2.95Å; K87-C91 PolarHBondContact O-SG 3.33Å; V89-C91 PolarHBondContact O-N 3.01Å |
| 92 | K | 80.3 | Confident | 82 | Confident | 111 Ų | 111 | 45.7 Ų | 45.7 | 48% | 0.483 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -107.5 | -23.4 | -170.3 | -69.6 | -175.2 | 173.6 | 179.9 | 0 | 115.4 | T27 L88 V89 | T27-K92 VanDerWaalsContact CG2-NZ 3.28Å; T27-K92 PolarHBondContact OG1-NZ 3.44Å; L88-K92 WeakPolarHBondContact O-CB 3.2Å; L88-K92 PolarHBondContact O-N 3.05Å; L88-K92 VanDerWaalsContact O-N 3.11Å; V89-K92 PolarHBondContact O-N 2.91Å |
| 93 | A | 76.2 | Confident | 82.1 | Confident | 31 Ų | 31 | 46.1 Ų | 46.1 | 26% | 0.256 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.7 | -35.4 | -156.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | T24 P62 V89 E95 | T24-A93 HydrophobicContact CG2-CB 3.22Å; P62-A93 HydrophobicContact CB-CB 3.53Å; P62-A93 HydrophobicContact CG-CB 3.97Å; V89-A93 WeakPolarHBondContact O-CB 3.4Å; V89-A93 PolarHBondContact O-N 3.07Å; A93-E95 PolarHBondContact O-N 3.06Å |
| 94 | V | 82.7 | Confident | 82.1 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 6% | 0.055 | 25% | 0.25 | C | S | . | . | trans | -76.1 | 126.9 | -174.4 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | Y66 V89 L98 L99 | Y66-V94 HydrophobicContact CD2-CG2 4.33Å; Y66-V94 HydrophobicContact CG-CG2 4.21Å; V89-V94 HydrophobicContact CG1-CG2 3.53Å; V89-V94 PolarHBondContact O-N 3.02Å; V94-L98 HydrophobicContact CG1-CB 4.15Å; V94-L98 HydrophobicContact CG1-CD2 3.99Å; V94-L98 HydrophobicContact CG1-CG 4.37Å; V94-L99 HydrophobicContact CB-CD2 4.27Å; V94-L99 HydrophobicContact CB-CG 4.38Å; V94-L99 HydrophobicContact CG1-CD1 4.41Å; V94-L99 HydrophobicContact CG1-CD2 3.68Å; V94-L99 HydrophobicContact CG1-CG 3.73Å | ||
| 95 | E | 80.7 | Confident | 82.1 | Confident | 136 Ų | 136 | 52.2 Ų | 52.2 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | trans | -64.1 | 141.9 | 173.8 | -64.9 | -171.1 | 173.4 | 0 | 0 | 111.7 | A93 S97 L98 L99 | A93-E95 PolarHBondContact O-N 3.06Å; E95-S97 WeakPolarHBondContact CB-OG 3.42Å; E95-S97 PolarHBondContact O-N 3.18Å; E95-S97 VanDerWaalsContact O-N 3.09Å; E95-S97 PolarHBondContact OE2-OG 3.01Å; E95-S97 VanDerWaalsContact OE2-OG 3.08Å; E95-L98 PolarHBondContact O-N 2.9Å; E95-L98 VanDerWaalsContact O-N 3.1Å; E95-L99 PolarHBondContact O-N 3Å | ||
| 96 | D | 79 | Confident | 82.3 | Confident | 70 Ų | 70 | 52.2 Ų | 52.2 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.9 | -23.7 | 178.7 | -64.2 | -22 | 0 | 0 | 0 | 111.9 | L99 R100 K135 A139 | D96-L99 PolarHBondContact O-N 2.91Å; D96-R100 WeakPolarHBondContact O-CG 3.2Å; D96-R100 PolarHBondContact O-N 2.86Å; D96-R100 VanDerWaalsContact O-N 3.11Å; D96-R100 PolarHBondContact O-NH1 3.43Å; D96-K135 IonicContact OD1-NZ 3.83Å; D96-K135 PolarHBondContact OD1-NZ 3.43Å; D96-A139 HydrophobicContact CB-CB 4.01Å |
| 97 | S | 81 | Confident | 82.4 | Confident | 45 Ų | 45 | 52.4 Ų | 52.4 | 32% | 0.315 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 174.5 | 64.5 | 0 | 0 | 0 | 0 | 112.8 | E95 | E95-S97 WeakPolarHBondContact CB-OG 3.42Å; E95-S97 PolarHBondContact O-N 3.18Å; E95-S97 VanDerWaalsContact O-N 3.09Å; E95-S97 PolarHBondContact OE2-OG 3.01Å; E95-S97 VanDerWaalsContact OE2-OG 3.08Å |
| 98 | L | 83.7 | Confident | 82.5 | Confident | 46 Ų | 46 | 57.8 Ų | 57.8 | 24% | 0.241 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -74.6 | -39.3 | 179.3 | -178.8 | 62.9 | 0 | 0 | 0 | 111.6 | T63 Y66 V94 E95 R100 K101 T102 | T63-L98 HydrophobicContact CG2-CD2 3.45Å; T63-L98 VanDerWaalsContact CG2-CD2 3.45Å; Y66-L98 HydrophobicContact CD1-CD2 4.06Å; Y66-L98 HydrophobicContact CE1-CD2 4.49Å; V94-L98 HydrophobicContact CG1-CB 4.15Å; V94-L98 HydrophobicContact CG1-CD2 3.99Å; V94-L98 HydrophobicContact CG1-CG 4.37Å; E95-L98 PolarHBondContact O-N 2.9Å; E95-L98 VanDerWaalsContact O-N 3.1Å; L98-R100 VanDerWaalsContact C-N 3.27Å; L98-R100 PolarHBondContact O-N 2.84Å; L98-K101 PolarHBondContact O-N 3.3Å; L98-T102 HydrophobicContact CD1-CG2 3.95Å; L98-T102 HydrophobicContact CG-CG2 4.4Å; L98-T102 PolarHBondContact O-N 3.28Å; L98-T102 PolarHBondContact O-OG1 2.92Å |
| 99 | L | 82.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.4 | -34.7 | 177.9 | -65.4 | 177.1 | 0 | 0 | 0 | 112 | Y66 M90 V94 E95 D96 C103 K135 L136 A139 | Y66-L99 HydrophobicContact CE2-CD2 4.21Å; M90-L99 HydrophobicContact CE-CD2 4Å; V94-L99 HydrophobicContact CB-CD2 4.27Å; V94-L99 HydrophobicContact CB-CG 4.38Å; V94-L99 HydrophobicContact CG1-CD1 4.41Å; V94-L99 HydrophobicContact CG1-CD2 3.68Å; V94-L99 HydrophobicContact CG1-CG 3.73Å; E95-L99 PolarHBondContact O-N 3Å; D96-L99 PolarHBondContact O-N 2.91Å; L99-C103 WeakPolarHBondContact O-CB 3.45Å; L99-C103 PolarHBondContact O-N 2.9Å; L99-C103 VanDerWaalsContact O-N 3.14Å; L99-K135 HydrophobicContact CD1-CG 4.14Å; L99-L136 HydrophobicContact CB-CD2 4.21Å; L99-L136 HydrophobicContact CD2-CD2 3.81Å; L99-A139 HydrophobicContact CB-CB 3.75Å; L99-A139 HydrophobicContact CD1-CB 3.98Å |
| 100 | R | 80.3 | Confident | 82.8 | Confident | 110 Ų | 110 | 58.1 Ų | 58.1 | 42% | 0.415 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.5 | -48.9 | 172.1 | -74.5 | -170.4 | -63.6 | -88.7 | 6.8 | 112.3 | D96 L98 T102 C103 A139 | D96-R100 WeakPolarHBondContact O-CG 3.2Å; D96-R100 PolarHBondContact O-N 2.86Å; D96-R100 VanDerWaalsContact O-N 3.11Å; D96-R100 PolarHBondContact O-NH1 3.43Å; L98-R100 VanDerWaalsContact C-N 3.27Å; L98-R100 PolarHBondContact O-N 2.84Å; R100-T102 VanDerWaalsContact C-N 3.35Å; R100-T102 PolarHBondContact O-N 3.03Å; R100-C103 PolarHBondContact O-N 3.32Å; R100-A139 VanDerWaalsContact CD-O 3.31Å; R100-A139 WeakPolarHBondContact CD-O 3.29Å; R100-A139 WeakPolarHBondContact CG-O 3.46Å; R100-A139 PolarHBondContact NH1-O 3.34Å |
| 101 | K | 83.1 | Confident | 83 | Confident | 185 Ų | 185 | 59.3 Ų | 59.3 | 80% | 0.804 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.8 | -37.4 | -178.7 | -68 | -177.9 | -179.9 | -178.1 | 0 | 112.9 | L98 | L98-K101 PolarHBondContact O-N 3.3Å |
| 102 | T | 83.1 | Confident | 83.2 | Confident | 31 Ų | 31 | 63.4 Ų | 63.4 | 19% | 0.19 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -94 | 1.7 | -174.7 | 58.2 | 0 | 0 | 0 | 0 | 113.9 | Y66 L98 R100 G104 E105 A106 | Y66-T102 HydrophobicContact CE1-CG2 4.18Å; Y66-T102 WeakPolarHBondContact CE1-OG1 3.42Å; Y66-T102 PolarHBondContact OH-OG1 2.89Å; L98-T102 HydrophobicContact CD1-CG2 3.95Å; L98-T102 HydrophobicContact CG-CG2 4.4Å; L98-T102 PolarHBondContact O-N 3.28Å; L98-T102 PolarHBondContact O-OG1 2.92Å; R100-T102 VanDerWaalsContact C-N 3.35Å; R100-T102 PolarHBondContact O-N 3.03Å; T102-G104 VanDerWaalsContact C-N 3.32Å; T102-G104 PolarHBondContact O-N 3.35Å; T102-E105 PolarHBondContact O-N 2.95Å; T102-A106 VanDerWaalsContact O-CB 3.23Å; T102-A106 WeakPolarHBondContact O-CB 3.37Å; T102-A106 PolarHBondContact O-N 3.49Å |
| 103 | C | 84.1 | Confident | 83.3 | Confident | 10 Ų | 10 | 58.4 Ų | 58.4 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.6 | -41.2 | -172.3 | -175.1 | 0 | 0 | 0 | 0 | 113.3 | L99 R100 A107 | L99-C103 WeakPolarHBondContact O-CB 3.45Å; L99-C103 PolarHBondContact O-N 2.9Å; L99-C103 VanDerWaalsContact O-N 3.14Å; R100-C103 PolarHBondContact O-N 3.32Å; C103-A107 WeakPolarHBondContact O-CB 3.38Å; C103-A107 PolarHBondContact O-N 3.14Å |
| 104 | G | 82 | Confident | 83.5 | Confident | 47 Ų | 47 | 57.5 Ų | 57.5 | 49% | 0.485 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.4 | -49.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T102 K108 | T102-G104 VanDerWaalsContact C-N 3.32Å; T102-G104 PolarHBondContact O-N 3.35Å; G104-K108 VanDerWaalsContact O-CG 3.27Å; G104-K108 WeakPolarHBondContact O-CG 3.46Å; G104-K108 PolarHBondContact O-N 2.71Å |
| 105 | E | 84.8 | Confident | 83.4 | Confident | 143 Ų | 143 | 60.9 Ų | 60.9 | 67% | 0.668 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -71.9 | -45.1 | 179.8 | -66.8 | 178.2 | 178.3 | 0 | 0 | 111.6 | T102 A107 K108 T109 | T102-E105 PolarHBondContact O-N 2.95Å; E105-A107 PolarHBondContact O-N 3.12Å; E105-K108 PolarHBondContact O-N 3.22Å; E105-T109 WeakPolarHBondContact O-CG2 3.47Å; E105-T109 PolarHBondContact O-N 2.81Å; E105-T109 PolarHBondContact O-OG1 3.44Å |
| 106 | A | 86.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y66 L70 T102 T109 L110 L136 | Y66-A106 VanDerWaalsContact OH-CB 3.32Å; Y66-A106 WeakPolarHBondContact OH-CB 3.17Å; L70-A106 HydrophobicContact CD1-CB 3.67Å; L70-A106 HydrophobicContact CD2-CB 4.44Å; T102-A106 VanDerWaalsContact O-CB 3.23Å; T102-A106 WeakPolarHBondContact O-CB 3.37Å; T102-A106 PolarHBondContact O-N 3.49Å; A106-T109 WeakPolarHBondContact CA-OG1 3.07Å; A106-T109 PolarHBondContact O-OG1 3.11Å; A106-L110 WeakPolarHBondContact O-CB 3.33Å; A106-L110 WeakPolarHBondContact O-CD1 3.44Å; A106-L110 WeakPolarHBondContact O-CG 3.37Å; A106-L110 PolarHBondContact O-N 3.3Å; A106-L110 VanDerWaalsContact O-N 3.08Å; A106-L136 HydrophobicContact CB-CD1 3.89Å; A106-L136 HydrophobicContact CB-CD2 4.2Å |
| 107 | A | 88.1 | Confident | 82.7 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 3% | 0.033 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C103 E105 L110 I111 L133 V153 | C103-A107 WeakPolarHBondContact O-CB 3.38Å; C103-A107 PolarHBondContact O-N 3.14Å; E105-A107 PolarHBondContact O-N 3.12Å; A107-L110 PolarHBondContact O-N 3.45Å; A107-I111 WeakPolarHBondContact O-CB 3.48Å; A107-I111 WeakPolarHBondContact O-CD1 3.49Å; A107-I111 WeakPolarHBondContact O-CG1 3.35Å; A107-I111 PolarHBondContact O-N 3.4Å; A107-L133 HydrophobicContact CB-CD2 4.49Å; A107-V153 HydrophobicContact CB-CG1 4.07Å; A107-V153 HydrophobicContact CB-CG2 3.61Å |
| 108 | K | 87.5 | Confident | 82 | Confident | 160 Ų | 160 | 59.3 Ų | 59.3 | 70% | 0.696 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.5 | -45.6 | 177.2 | -76.8 | 174.7 | -176.3 | 179.1 | 0 | 112 | G104 E105 K112 | G104-K108 VanDerWaalsContact O-CG 3.27Å; G104-K108 WeakPolarHBondContact O-CG 3.46Å; G104-K108 PolarHBondContact O-N 2.71Å; E105-K108 PolarHBondContact O-N 3.22Å; K108-K112 VanDerWaalsContact O-CB 3.31Å; K108-K112 WeakPolarHBondContact O-CB 3.27Å; K108-K112 PolarHBondContact O-N 3.41Å |
| 109 | T | 85.9 | Confident | 80.9 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 14% | 0.141 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 178.8 | 51.2 | 0 | 0 | 0 | 0 | 111.5 | E105 A106 K112 L113 | E105-T109 WeakPolarHBondContact O-CG2 3.47Å; E105-T109 PolarHBondContact O-N 2.81Å; E105-T109 PolarHBondContact O-OG1 3.44Å; A106-T109 WeakPolarHBondContact CA-OG1 3.07Å; A106-T109 PolarHBondContact O-OG1 3.11Å; T109-K112 PolarHBondContact O-N 2.91Å; T109-L113 WeakPolarHBondContact O-CB 3.38Å; T109-L113 PolarHBondContact O-N 3.29Å |
| 110 | L | 86.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 179 | -66.6 | 174.3 | 0 | 0 | 0 | 112.9 | I73 L86 A106 A107 L113 L114 V129 C132 L133 L136 | I73-L110 HydrophobicContact CD1-CD2 4.38Å; L86-L110 HydrophobicContact CD2-CD2 3.98Å; A106-L110 WeakPolarHBondContact O-CB 3.33Å; A106-L110 WeakPolarHBondContact O-CD1 3.44Å; A106-L110 WeakPolarHBondContact O-CG 3.37Å; A106-L110 PolarHBondContact O-N 3.3Å; A106-L110 VanDerWaalsContact O-N 3.08Å; A107-L110 PolarHBondContact O-N 3.45Å; L110-L113 PolarHBondContact O-N 3.05Å; L110-L114 WeakPolarHBondContact O-CG 3.42Å; L110-L114 PolarHBondContact O-N 3.5Å; L110-V129 HydrophobicContact CB-CG1 3.95Å; L110-V129 HydrophobicContact CD2-CG1 3.98Å; L110-V129 HydrophobicContact CD2-CG2 4.33Å; L110-V129 HydrophobicContact CG-CG1 4.48Å; L110-C132 HydrophobicContact CD1-CB 3.89Å; L110-L133 HydrophobicContact CB-CD1 4.48Å; L110-L133 HydrophobicContact CB-CD2 3.78Å; L110-L133 HydrophobicContact CB-CG 4.05Å; L110-L133 HydrophobicContact CD1-CD2 3.88Å; L110-L133 HydrophobicContact CD1-CG 4.1Å; L110-L136 HydrophobicContact CD1-CD1 3.59Å |
| 111 | I | 85.6 | Confident | 79 | Confident | 24 Ų | 24 | 65.8 Ų | 65.8 | 12% | 0.123 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.9 | -40.4 | 176.7 | -70.2 | 166.3 | 0 | 0 | 0 | 111.5 | A107 L113 L114 S115 V153 H156 | A107-I111 WeakPolarHBondContact O-CB 3.48Å; A107-I111 WeakPolarHBondContact O-CD1 3.49Å; A107-I111 WeakPolarHBondContact O-CG1 3.35Å; A107-I111 PolarHBondContact O-N 3.4Å; I111-L113 PolarHBondContact O-N 2.96Å; I111-L114 PolarHBondContact O-N 3.45Å; I111-S115 PolarHBondContact O-N 3.13Å; I111-S115 PolarHBondContact O-OG 3.08Å; I111-V153 HydrophobicContact CD1-CB 4.22Å; I111-V153 HydrophobicContact CD1-CG1 4.15Å; I111-V153 HydrophobicContact CD1-CG2 3.79Å; I111-H156 HydrophobicContact CG1-CB 4.48Å |
| 112 | K | 85.3 | Confident | 78.4 | Confident | 147 Ų | 147 | 58.8 Ų | 58.8 | 64% | 0.639 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.1 | -42.3 | 173.9 | -175.4 | -179.8 | 179.2 | -176.5 | 0 | 110.1 | K108 T109 S115 S116 | K108-K112 VanDerWaalsContact O-CB 3.31Å; K108-K112 WeakPolarHBondContact O-CB 3.27Å; K108-K112 PolarHBondContact O-N 3.41Å; T109-K112 PolarHBondContact O-N 2.91Å; K112-S115 PolarHBondContact O-N 3.31Å; K112-S116 WeakPolarHBondContact O-CB 3.4Å; K112-S116 PolarHBondContact O-N 3.25Å; K112-S116 PolarHBondContact O-OG 3.34Å |
| 113 | L | 82.3 | Confident | 78.1 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.5 | -45 | 177.7 | -168.9 | 158 | 0 | 0 | 0 | 111.9 | I73 T109 L110 I111 S115 S116 H117 L125 V129 | I73-L113 HydrophobicContact CD1-CD1 3.52Å; I73-L113 HydrophobicContact CG1-CD1 3.52Å; T109-L113 WeakPolarHBondContact O-CB 3.38Å; T109-L113 PolarHBondContact O-N 3.29Å; L110-L113 PolarHBondContact O-N 3.05Å; I111-L113 PolarHBondContact O-N 2.96Å; L113-S115 VanDerWaalsContact C-N 3.25Å; L113-S115 PolarHBondContact O-N 2.85Å; L113-S116 WeakPolarHBondContact CA-OG 3.43Å; L113-S116 PolarHBondContact O-N 3.24Å; L113-S116 PolarHBondContact O-OG 3.16Å; L113-H117 PolarHBondContact O-CD2 3.36Å; L113-H117 PolarHBondContact O-N 3Å; L113-L125 HydrophobicContact CD2-CD1 4.02Å; L113-L125 HydrophobicContact CD2-CD2 3.64Å; L113-L125 HydrophobicContact CD2-CG 3.71Å; L113-V129 HydrophobicContact CD2-CG2 3.74Å |
| 114 | L | 80.4 | Confident | 77.9 | Confident | 12 Ų | 12 | 61.5 Ų | 61.5 | 6% | 0.063 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.4 | -34.9 | 173.4 | -72.6 | 178.9 | 0 | 0 | 0 | 113.3 | L110 I111 I126 V129 L133 F160 | L110-L114 WeakPolarHBondContact O-CG 3.42Å; L110-L114 PolarHBondContact O-N 3.5Å; I111-L114 PolarHBondContact O-N 3.45Å; L114-I126 HydrophobicContact CD2-CB 4.26Å; L114-I126 HydrophobicContact CD2-CG1 4.14Å; L114-I126 HydrophobicContact CD2-CG2 3.87Å; L114-V129 HydrophobicContact CD1-CG1 4.07Å; L114-V129 HydrophobicContact CD2-CB 4.07Å; L114-V129 HydrophobicContact CD2-CG1 3.68Å; L114-V129 HydrophobicContact CG-CG1 3.59Å; L114-L133 HydrophobicContact CD1-CD1 3.48Å; L114-L133 VanDerWaalsContact CD1-CD1 3.48Å; L114-F160 HydrophobicContact CD1-CE2 4.01Å; L114-F160 HydrophobicContact CD1-CZ 4.42Å; L114-F160 HydrophobicContact CD2-CZ 4.32Å |
| 115 | S | 78.9 | Confident | 78 | Confident | 80 Ų | 80 | 59.3 Ų | 59.3 | 56% | 0.559 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -77.7 | -29.1 | 179.4 | -55.1 | 0 | 0 | 0 | 0 | 112.9 | I111 K112 L113 | I111-S115 PolarHBondContact O-N 3.13Å; I111-S115 PolarHBondContact O-OG 3.08Å; K112-S115 PolarHBondContact O-N 3.31Å; L113-S115 VanDerWaalsContact C-N 3.25Å; L113-S115 PolarHBondContact O-N 2.85Å |
| 116 | S | 77.7 | Confident | 77.9 | Confident | 78 Ų | 78 | 52.6 Ų | 52.6 | 55% | 0.545 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -80.9 | -21.5 | -177.8 | 64.4 | 0 | 0 | 0 | 0 | 114.7 | K112 L113 | K112-S116 WeakPolarHBondContact O-CB 3.4Å; K112-S116 PolarHBondContact O-N 3.25Å; K112-S116 PolarHBondContact O-OG 3.34Å; L113-S116 WeakPolarHBondContact CA-OG 3.43Å; L113-S116 PolarHBondContact O-N 3.24Å; L113-S116 PolarHBondContact O-OG 3.16Å |
| 117 | H | 68.9 | Low | 77.9 | Confident | 40 Ų | 40 | 56.7 Ų | 56.7 | 19% | 0.185 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -108.3 | 137.9 | -172.1 | -77.3 | -78.7 | 0 | 0 | 0 | 111.7 | K79 L113 D122 L125 | K79-H117 WeakPolarHBondContact CD-NE2 3.37Å; K79-H117 PolarHBondContact NZ-NE2 2.85Å; L113-H117 PolarHBondContact O-CD2 3.36Å; L113-H117 PolarHBondContact O-N 3Å; H117-D122 HydrophobicContact CB-CB 4.22Å; H117-D122 IonicContact CE1-OD2 3.85Å; H117-D122 IonicContact CG-OD2 2.93Å; H117-D122 IonicContact ND1-OD2 2.59Å; H117-D122 PolarHBondContact ND1-OD2 3Å; H117-L125 HydrophobicContact CB-CD2 4.2Å |
| 118 | N | 64.9 | Low | 77.7 | Confident | 100 Ų | 100 | 56.7 Ų | 56.7 | 54% | 0.535 | 31% | 0.308 | S | S | . | . | trans | -79.1 | 138.4 | 177.6 | -164.2 | -15.2 | 0 | 0 | 0 | 110.3 | N120 T121 D122 | N118-N120 PolarHBondContact O-N 3.09Å; N118-N120 VanDerWaalsContact O-N 3.14Å; N118-N120 PolarHBondContact OD1-N 3.09Å; N118-T121 PolarHBondContact O-N 3.42Å; N118-T121 PolarHBondContact O-OG1 3.4Å; N118-D122 PolarHBondContact O-N 2.69Å | ||
| 119 | I | 61.4 | Low | 77.7 | Confident | 67 Ų | 67 | 49.1 Ų | 49.1 | 34% | 0.344 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -29.9 | -179.5 | -60.6 | 164.1 | 0 | 0 | 0 | 111.7 | I126 F160 I168 | I119-I126 HydrophobicContact CB-CD1 4.26Å; I119-I126 HydrophobicContact CG1-CD1 4.06Å; I119-F160 HydrophobicContact CD1-CE1 4.43Å; I119-F160 HydrophobicContact CG1-CE1 4.47Å; I119-I168 HydrophobicContact CG2-CD1 3.94Å |
| 120 | N | 60.3 | Low | 77.8 | Confident | 122 Ų | 122 | 48 Ų | 48 | 65% | 0.652 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -38.9 | -174.3 | -69.9 | -16.6 | 0 | 0 | 0 | 113.7 | N118 | N118-N120 PolarHBondContact O-N 3.09Å; N118-N120 VanDerWaalsContact O-N 3.14Å; N118-N120 PolarHBondContact OD1-N 3.09Å |
| 121 | T | 62.3 | Low | 77.8 | Confident | 104 Ų | 104 | 49 Ų | 49 | 64% | 0.638 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -39.7 | -176.6 | 45.9 | 0 | 0 | 0 | 0 | 112 | N118 | N118-T121 PolarHBondContact O-N 3.42Å; N118-T121 PolarHBondContact O-OG1 3.4Å |
| 122 | D | 69.8 | Low | 77.8 | Confident | 38 Ų | 38 | 47.9 Ų | 47.9 | 20% | 0.203 | 27% | 0.268 | C | S | . | . | trans | -111.8 | 37.7 | -161.7 | -61.4 | -44.5 | 0 | 0 | 0 | 113.9 | H117 N118 C124 L125 I126 | H117-D122 HydrophobicContact CB-CB 4.22Å; H117-D122 IonicContact CE1-OD2 3.85Å; H117-D122 IonicContact CG-OD2 2.93Å; H117-D122 IonicContact ND1-OD2 2.59Å; H117-D122 PolarHBondContact ND1-OD2 3Å; N118-D122 PolarHBondContact O-N 2.69Å; D122-C124 VanDerWaalsContact C-N 3.28Å; D122-C124 PolarHBondContact O-N 3.24Å; D122-L125 HydrophobicContact CB-CB 3.96Å; D122-L125 HydrophobicContact CB-CD2 3.96Å; D122-L125 VanDerWaalsContact O-CB 3.31Å; D122-L125 WeakPolarHBondContact O-CB 3.11Å; D122-L125 PolarHBondContact O-N 3.25Å; D122-I126 PolarHBondContact O-N 2.95Å | ||
| 123 | A | 77.5 | Confident | 77.9 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 17% | 0.165 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.3 | -34.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K127 I168 | A123-K127 WeakPolarHBondContact O-CB 2.96Å; A123-K127 PolarHBondContact O-N 3.26Å; A123-K127 VanDerWaalsContact O-N 3.13Å; A123-I168 HydrophobicContact CB-CD1 4.28Å |
| 124 | C | 80.5 | Confident | 78.2 | Confident | 78 Ų | 78 | 40.9 Ų | 40.9 | 53% | 0.527 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.9 | -41.8 | 175.6 | -73.3 | 0 | 0 | 0 | 0 | 111.9 | V80 D122 K127 S128 | V80-C124 HydrophobicContact CG1-CB 3.81Å; D122-C124 VanDerWaalsContact C-N 3.28Å; D122-C124 PolarHBondContact O-N 3.24Å; C124-K127 PolarHBondContact O-N 2.91Å; C124-S128 PolarHBondContact O-N 2.95Å; C124-S128 PolarHBondContact O-OG 3.42Å |
| 125 | L | 83 | Confident | 78.5 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -51.3 | 178 | -179.4 | 67 | 0 | 0 | 0 | 110.5 | K79 V80 A83 L113 H117 D122 K127 S128 V129 | K79-L125 HydrophobicContact CB-CD1 4.15Å; K79-L125 WeakPolarHBondContact O-CD1 3.41Å; V80-L125 HydrophobicContact CG1-CB 4.3Å; V80-L125 HydrophobicContact CG2-CB 4.19Å; A83-L125 HydrophobicContact CB-CD1 3.5Å; A83-L125 VanDerWaalsContact CB-CD1 3.5Å; L113-L125 HydrophobicContact CD2-CD1 4.02Å; L113-L125 HydrophobicContact CD2-CD2 3.64Å; L113-L125 HydrophobicContact CD2-CG 3.71Å; H117-L125 HydrophobicContact CB-CD2 4.2Å; D122-L125 HydrophobicContact CB-CB 3.96Å; D122-L125 HydrophobicContact CB-CD2 3.96Å; D122-L125 VanDerWaalsContact O-CB 3.31Å; D122-L125 WeakPolarHBondContact O-CB 3.11Å; D122-L125 PolarHBondContact O-N 3.25Å; L125-K127 VanDerWaalsContact C-N 3.32Å; L125-K127 PolarHBondContact O-N 3.33Å; L125-S128 WeakPolarHBondContact CA-OG 3.31Å; L125-S128 PolarHBondContact O-N 3.43Å; L125-S128 VanDerWaalsContact O-N 3.14Å; L125-S128 PolarHBondContact O-OG 2.85Å; L125-V129 HydrophobicContact CD1-CG2 4.38Å; L125-V129 HydrophobicContact CG-CG2 4.48Å; L125-V129 WeakPolarHBondContact O-CB 3.35Å; L125-V129 VanDerWaalsContact O-CG2 3.22Å; L125-V129 WeakPolarHBondContact O-CG2 3.31Å; L125-V129 PolarHBondContact O-N 3.26Å |
| 126 | I | 83.4 | Confident | 78.8 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.5 | -43.5 | -179.9 | -65.3 | 168.6 | 0 | 0 | 0 | 110.5 | L114 I119 D122 S128 V129 L130 F160 I168 | L114-I126 HydrophobicContact CD2-CB 4.26Å; L114-I126 HydrophobicContact CD2-CG1 4.14Å; L114-I126 HydrophobicContact CD2-CG2 3.87Å; I119-I126 HydrophobicContact CB-CD1 4.26Å; I119-I126 HydrophobicContact CG1-CD1 4.06Å; D122-I126 PolarHBondContact O-N 2.95Å; I126-S128 PolarHBondContact O-N 3.2Å; I126-V129 PolarHBondContact O-N 3.11Å; I126-L130 WeakPolarHBondContact O-CB 3.44Å; I126-L130 PolarHBondContact O-N 3.07Å; I126-F160 HydrophobicContact CG2-CD1 4.43Å; I126-F160 HydrophobicContact CG2-CE1 4.13Å; I126-I168 HydrophobicContact CB-CD1 4.12Å; I126-I168 HydrophobicContact CB-CG1 4.38Å; I126-I168 HydrophobicContact CD1-CD1 4.27Å; I126-I168 HydrophobicContact CG2-CD1 3.91Å; I126-I168 HydrophobicContact CG2-CG1 4.09Å; I126-I168 HydrophobicContact CG2-CG2 3.87Å |
| 127 | K | 86.1 | Confident | 79.2 | Confident | 85 Ų | 85 | 34.6 Ų | 34.6 | 37% | 0.37 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -56.8 | -48.5 | 174.8 | 176 | -173.9 | 179.4 | -177.9 | 0 | 111.9 | A123 C124 L125 T131 S171 | A123-K127 WeakPolarHBondContact O-CB 2.96Å; A123-K127 PolarHBondContact O-N 3.26Å; A123-K127 VanDerWaalsContact O-N 3.13Å; C124-K127 PolarHBondContact O-N 2.91Å; L125-K127 VanDerWaalsContact C-N 3.32Å; L125-K127 PolarHBondContact O-N 3.33Å; K127-T131 PolarHBondContact O-N 3.36Å; K127-T131 PolarHBondContact O-OG1 3.1Å; K127-S171 PolarHBondContact O-OG 2.63Å |
| 128 | S | 84.7 | Confident | 79.9 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -46 | 178.4 | 34.9 | 0 | 0 | 0 | 0 | 111.9 | A83 C124 L125 I126 L130 T131 C132 | A83-S128 WeakPolarHBondContact CB-OG 3.38Å; A83-S128 WeakPolarHBondContact O-CB 3.33Å; C124-S128 PolarHBondContact O-N 2.95Å; C124-S128 PolarHBondContact O-OG 3.42Å; L125-S128 WeakPolarHBondContact CA-OG 3.31Å; L125-S128 PolarHBondContact O-N 3.43Å; L125-S128 VanDerWaalsContact O-N 3.14Å; L125-S128 PolarHBondContact O-OG 2.85Å; I126-S128 PolarHBondContact O-N 3.2Å; S128-L130 PolarHBondContact O-N 2.72Å; S128-T131 WeakPolarHBondContact O-CB 3.45Å; S128-T131 PolarHBondContact O-N 3.46Å; S128-C132 PolarHBondContact O-N 3.49Å; S128-C132 PolarHBondContact O-SG 3.35Å |
| 129 | V | 87 | Confident | 80.9 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.2 | -41.5 | -178.3 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | A83 L110 L113 L114 L125 I126 T131 C132 L133 | A83-V129 HydrophobicContact CB-CG2 4.16Å; L110-V129 HydrophobicContact CB-CG1 3.95Å; L110-V129 HydrophobicContact CD2-CG1 3.98Å; L110-V129 HydrophobicContact CD2-CG2 4.33Å; L110-V129 HydrophobicContact CG-CG1 4.48Å; L113-V129 HydrophobicContact CD2-CG2 3.74Å; L114-V129 HydrophobicContact CD1-CG1 4.07Å; L114-V129 HydrophobicContact CD2-CB 4.07Å; L114-V129 HydrophobicContact CD2-CG1 3.68Å; L114-V129 HydrophobicContact CG-CG1 3.59Å; L125-V129 HydrophobicContact CD1-CG2 4.38Å; L125-V129 HydrophobicContact CG-CG2 4.48Å; L125-V129 WeakPolarHBondContact O-CB 3.35Å; L125-V129 VanDerWaalsContact O-CG2 3.22Å; L125-V129 WeakPolarHBondContact O-CG2 3.31Å; L125-V129 PolarHBondContact O-N 3.26Å; I126-V129 PolarHBondContact O-N 3.11Å; V129-T131 VanDerWaalsContact C-N 3.32Å; V129-T131 PolarHBondContact O-N 3.28Å; V129-C132 WeakPolarHBondContact O-CB 3.4Å; V129-C132 PolarHBondContact O-N 3.35Å; V129-C132 VanDerWaalsContact O-N 3.13Å; V129-L133 HydrophobicContact CG1-CD1 4.38Å; V129-L133 PolarHBondContact O-N 2.79Å |
| 130 | L | 87 | Confident | 82.1 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.7 | -37.5 | 176 | -165.4 | 63.4 | 0 | 0 | 0 | 111.9 | I126 S128 C132 L133 G134 V157 F160 I168 C172 | I126-L130 WeakPolarHBondContact O-CB 3.44Å; I126-L130 PolarHBondContact O-N 3.07Å; S128-L130 PolarHBondContact O-N 2.72Å; L130-C132 VanDerWaalsContact C-N 3.34Å; L130-L133 PolarHBondContact O-N 3.27Å; L130-G134 PolarHBondContact O-N 3.25Å; L130-V157 HydrophobicContact CD1-CB 4.21Å; L130-V157 HydrophobicContact CD1-CG1 3.88Å; L130-V157 HydrophobicContact CD1-CG2 4.07Å; L130-F160 HydrophobicContact CD1-CD2 4.25Å; L130-F160 HydrophobicContact CD2-CB 4.18Å; L130-I168 HydrophobicContact CD2-CG2 4.15Å; L130-C172 HydrophobicContact CD2-CB 3.5Å |
| 131 | T | 86.4 | Confident | 83.1 | Confident | 22 Ų | 22 | 27.1 Ų | 27.1 | 14% | 0.135 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.8 | -40.1 | 172.7 | -45.4 | 0 | 0 | 0 | 0 | 111.1 | K87 K127 S128 V129 G134 K135 S171 | K87-T131 HydrophobicContact CD-CG2 4.23Å; K87-T131 HydrophobicContact CG-CG2 4.15Å; K127-T131 PolarHBondContact O-N 3.36Å; K127-T131 PolarHBondContact O-OG1 3.1Å; S128-T131 WeakPolarHBondContact O-CB 3.45Å; S128-T131 PolarHBondContact O-N 3.46Å; V129-T131 VanDerWaalsContact C-N 3.32Å; V129-T131 PolarHBondContact O-N 3.28Å; T131-G134 PolarHBondContact O-N 3.13Å; T131-K135 PolarHBondContact O-N 3.08Å; T131-S171 PolarHBondContact OG1-OG 3.09Å |
| 132 | C | 86.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.8 | -47.2 | 177 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | K87 M90 L110 S128 V129 L130 G134 K135 L136 | K87-C132 WeakPolarHBondContact CA-SG 3.36Å; M90-C132 HydrophobicContact CE-CB 3.98Å; M90-C132 WeakPolarHBondContact CE-O 3.46Å; M90-C132 HydrophobicContact SD-CB 3.62Å; L110-C132 HydrophobicContact CD1-CB 3.89Å; S128-C132 PolarHBondContact O-N 3.49Å; S128-C132 PolarHBondContact O-SG 3.35Å; V129-C132 WeakPolarHBondContact O-CB 3.4Å; V129-C132 PolarHBondContact O-N 3.35Å; V129-C132 VanDerWaalsContact O-N 3.13Å; L130-C132 VanDerWaalsContact C-N 3.34Å; C132-G134 VanDerWaalsContact C-N 3.33Å; C132-G134 PolarHBondContact O-N 2.65Å; C132-K135 PolarHBondContact O-N 3.31Å; C132-L136 WeakPolarHBondContact O-CG 3.47Å; C132-L136 PolarHBondContact O-N 3.36Å |
| 133 | L | 87.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 174 | -74.6 | 174.6 | 0 | 0 | 0 | 111.6 | A107 L110 L114 V129 L130 K135 L136 L137 V153 V157 | A107-L133 HydrophobicContact CB-CD2 4.49Å; L110-L133 HydrophobicContact CB-CD1 4.48Å; L110-L133 HydrophobicContact CB-CD2 3.78Å; L110-L133 HydrophobicContact CB-CG 4.05Å; L110-L133 HydrophobicContact CD1-CD2 3.88Å; L110-L133 HydrophobicContact CD1-CG 4.1Å; L114-L133 HydrophobicContact CD1-CD1 3.48Å; L114-L133 VanDerWaalsContact CD1-CD1 3.48Å; V129-L133 HydrophobicContact CG1-CD1 4.38Å; V129-L133 PolarHBondContact O-N 2.79Å; L130-L133 PolarHBondContact O-N 3.27Å; L133-K135 VanDerWaalsContact C-N 3.34Å; L133-K135 PolarHBondContact O-N 3.18Å; L133-L136 HydrophobicContact CD2-CD1 4.42Å; L133-L136 PolarHBondContact O-N 3.11Å; L133-L137 WeakPolarHBondContact O-CG 3.33Å; L133-L137 PolarHBondContact O-N 3.22Å; L133-V153 HydrophobicContact CD2-CG1 3.98Å; L133-V157 HydrophobicContact CB-CG2 4.1Å; L133-V157 HydrophobicContact CD1-CG2 4.36Å |
| 134 | G | 87.3 | Confident | 84.3 | Confident | 4 Ų | 4 | 32 Ų | 32 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.5 | -46.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | L130 T131 C132 L137 R138 | L130-G134 PolarHBondContact O-N 3.25Å; T131-G134 PolarHBondContact O-N 3.13Å; C132-G134 VanDerWaalsContact C-N 3.33Å; C132-G134 PolarHBondContact O-N 2.65Å; G134-L137 PolarHBondContact O-N 2.97Å; G134-R138 WeakPolarHBondContact O-CB 3.3Å; G134-R138 PolarHBondContact O-N 2.71Å |
| 135 | K | 86.9 | Confident | 84.4 | Confident | 37 Ų | 37 | 28.5 Ų | 28.5 | 16% | 0.161 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.7 | -35.7 | 177.5 | -179 | 57.5 | -175.9 | 161.5 | 0 | 112.8 | M90 D96 L99 T131 C132 L133 A139 | M90-K135 HydrophobicContact CB-CG 4.48Å; M90-K135 WeakPolarHBondContact O-CE 3.45Å; M90-K135 WeakPolarHBondContact O-CG 3.22Å; D96-K135 IonicContact OD1-NZ 3.83Å; D96-K135 PolarHBondContact OD1-NZ 3.43Å; L99-K135 HydrophobicContact CD1-CG 4.14Å; T131-K135 PolarHBondContact O-N 3.08Å; C132-K135 PolarHBondContact O-N 3.31Å; L133-K135 VanDerWaalsContact C-N 3.34Å; L133-K135 PolarHBondContact O-N 3.18Å; K135-A139 PolarHBondContact O-N 3.21Å |
| 136 | L | 85.9 | Confident | 84.2 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.5 | -48.2 | 173 | -78.2 | 164.8 | 0 | 0 | 0 | 111.5 | M90 L99 A106 L110 C132 L133 A139 Q140 | M90-L136 HydrophobicContact CE-CD1 3.77Å; M90-L136 HydrophobicContact CE-CD2 3.76Å; M90-L136 HydrophobicContact CE-CG 3.37Å; L99-L136 HydrophobicContact CB-CD2 4.21Å; L99-L136 HydrophobicContact CD2-CD2 3.81Å; A106-L136 HydrophobicContact CB-CD1 3.89Å; A106-L136 HydrophobicContact CB-CD2 4.2Å; L110-L136 HydrophobicContact CD1-CD1 3.59Å; C132-L136 WeakPolarHBondContact O-CG 3.47Å; C132-L136 PolarHBondContact O-N 3.36Å; L133-L136 HydrophobicContact CD2-CD1 4.42Å; L133-L136 PolarHBondContact O-N 3.11Å; L136-A139 PolarHBondContact O-N 3Å; L136-Q140 WeakPolarHBondContact O-CG 3.13Å; L136-Q140 PolarHBondContact O-NE2 3.39Å |
| 137 | L | 85.8 | Confident | 84.3 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.4 | -38.9 | -179 | -69.9 | 177.8 | 0 | 0 | 0 | 111.9 | L133 G134 A139 Q140 W145 I150 V153 Y154 V157 I179 | L133-L137 WeakPolarHBondContact O-CG 3.33Å; L133-L137 PolarHBondContact O-N 3.22Å; G134-L137 PolarHBondContact O-N 2.97Å; L137-A139 VanDerWaalsContact C-N 3.26Å; L137-A139 PolarHBondContact O-N 3.08Å; L137-Q140 PolarHBondContact O-N 2.79Å; L137-W145 HydrophobicContact CB-CH2 4.25Å; L137-W145 HydrophobicContact CB-CZ2 4.13Å; L137-W145 HydrophobicContact CD2-CH2 4.22Å; L137-W145 HydrophobicContact CD2-CZ2 4.48Å; L137-I150 HydrophobicContact CD2-CG2 3.89Å; L137-V153 HydrophobicContact CD1-CG1 4.24Å; L137-V153 HydrophobicContact CD2-CB 4.16Å; L137-V153 HydrophobicContact CD2-CG1 3.88Å; L137-V153 HydrophobicContact CG-CG1 4.22Å; L137-Y154 HydrophobicContact CD1-CD2 3.8Å; L137-Y154 HydrophobicContact CD1-CG 4.47Å; L137-V157 HydrophobicContact CD1-CG2 4.01Å; L137-I179 HydrophobicContact CB-CD1 3.82Å; L137-I179 HydrophobicContact CB-CG1 4.25Å; L137-I179 HydrophobicContact CD1-CD1 4.12Å |
| 138 | R | 84.7 | Confident | 84.2 | Confident | 109 Ų | 109 | 36.5 Ų | 36.5 | 41% | 0.411 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.9 | -31.4 | 175.1 | 178 | 175.9 | 168.8 | 179.6 | 1.4 | 113.3 | G134 Q140 I179 | G134-R138 WeakPolarHBondContact O-CB 3.3Å; G134-R138 PolarHBondContact O-N 2.71Å; R138-Q140 PolarHBondContact O-N 3.13Å; R138-I179 HydrophobicContact CB-CG1 4.24Å |
| 139 | A | 84.5 | Confident | 84.2 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 3% | 0.033 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -10.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D96 L99 R100 K135 L136 L137 | D96-A139 HydrophobicContact CB-CB 4.01Å; L99-A139 HydrophobicContact CB-CB 3.75Å; L99-A139 HydrophobicContact CD1-CB 3.98Å; R100-A139 VanDerWaalsContact CD-O 3.31Å; R100-A139 WeakPolarHBondContact CD-O 3.29Å; R100-A139 WeakPolarHBondContact CG-O 3.46Å; R100-A139 PolarHBondContact NH1-O 3.34Å; K135-A139 PolarHBondContact O-N 3.21Å; L136-A139 PolarHBondContact O-N 3Å; L137-A139 VanDerWaalsContact C-N 3.26Å; L137-A139 PolarHBondContact O-N 3.08Å |
| 140 | Q | 86.8 | Confident | 84.2 | Confident | 11 Ų | 11 | 40.3 Ų | 40.3 | 5% | 0.051 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -75.6 | 146.5 | -176.2 | -55.1 | -48.7 | -52.3 | 0 | 0 | 112.2 | L136 L137 R138 I150 | L136-Q140 WeakPolarHBondContact O-CG 3.13Å; L136-Q140 PolarHBondContact O-NE2 3.39Å; L137-Q140 PolarHBondContact O-N 2.79Å; R138-Q140 PolarHBondContact O-N 3.13Å; Q140-I150 HydrophobicContact CG-CD1 4.31Å |
| 141 | S | 81.3 | Confident | 84.1 | Confident | 48 Ų | 48 | 43.8 Ų | 43.8 | 34% | 0.336 | 23% | 0.231 | S | C | . | . | trans | -74.7 | 161.9 | 173.9 | 65.9 | 0 | 0 | 0 | 0 | 111.4 | D143 S144 W145 | S141-D143 VanDerWaalsContact C-N 3.32Å; S141-D143 PolarHBondContact O-N 3.44Å; S141-S144 WeakPolarHBondContact O-CB 3.25Å; S141-S144 PolarHBondContact O-N 3.44Å; S141-S144 VanDerWaalsContact O-N 3.13Å; S141-S144 PolarHBondContact OG-OG 2.81Å; S141-W145 VanDerWaalsContact O-CD1 3.3Å | ||
| 142 | Y | 76.8 | Confident | 84.1 | Confident | 113 Ų | 113 | 46.9 Ų | 46.9 | 44% | 0.443 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -48.1 | 176 | -177.9 | -95.8 | 0 | 0 | 0 | 112.2 | S144 W145 L183 I193 P196 | Y142-S144 PolarHBondContact O-N 3.13Å; Y142-W145 WeakPolarHBondContact O-CB 3.17Å; Y142-W145 PolarHBondContact O-N 3.36Å; Y142-L183 HydrophobicContact CD2-CD2 3.86Å; Y142-L183 HydrophobicContact CG-CD2 4.4Å; Y142-I193 HydrophobicContact CD2-CG2 3.84Å; Y142-I193 HydrophobicContact CE2-CG2 3.61Å; Y142-P196 HydrophobicContact CD2-CG 4.42Å; Y142-P196 HydrophobicContact CE2-CG 4.26Å |
| 143 | D | 77.7 | Confident | 84.2 | Confident | 120 Ų | 120 | 47.5 Ų | 47.5 | 64% | 0.642 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -63.1 | -31.3 | -178.2 | -53 | -43.9 | 0 | 0 | 0 | 112.8 | S141 W145 S146 | S141-D143 VanDerWaalsContact C-N 3.32Å; S141-D143 PolarHBondContact O-N 3.44Å; D143-W145 PolarHBondContact O-N 3.08Å; D143-S146 WeakPolarHBondContact O-CB 3.49Å; D143-S146 PolarHBondContact O-N 3.02Å; D143-S146 PolarHBondContact O-OG 2.85Å |
| 144 | S | 80 | Confident | 84.3 | Confident | 31 Ų | 31 | 47.5 Ų | 47.5 | 22% | 0.217 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -62.8 | -31.9 | -179.3 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | S141 Y142 S146 T147 I150 | S141-S144 WeakPolarHBondContact O-CB 3.25Å; S141-S144 PolarHBondContact O-N 3.44Å; S141-S144 VanDerWaalsContact O-N 3.13Å; S141-S144 PolarHBondContact OG-OG 2.81Å; Y142-S144 PolarHBondContact O-N 3.13Å; S144-S146 PolarHBondContact O-N 3.13Å; S144-T147 VanDerWaalsContact O-CB 3.26Å; S144-T147 WeakPolarHBondContact O-CB 3.25Å; S144-T147 PolarHBondContact O-N 2.84Å; S144-T147 PolarHBondContact O-OG1 3.02Å; S144-I150 VanDerWaalsContact O-CD1 3.27Å; S144-I150 WeakPolarHBondContact O-CD1 3.5Å |
| 145 | W | 83.3 | Confident | 84.4 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -69.2 | -12.9 | -179.5 | -76.9 | 93.2 | 0 | 0 | 0 | 114.8 | L137 S141 Y142 D143 T147 I150 R151 Y154 I179 H195 P196 A197 | L137-W145 HydrophobicContact CB-CH2 4.25Å; L137-W145 HydrophobicContact CB-CZ2 4.13Å; L137-W145 HydrophobicContact CD2-CH2 4.22Å; L137-W145 HydrophobicContact CD2-CZ2 4.48Å; S141-W145 VanDerWaalsContact O-CD1 3.3Å; Y142-W145 WeakPolarHBondContact O-CB 3.17Å; Y142-W145 PolarHBondContact O-N 3.36Å; D143-W145 PolarHBondContact O-N 3.08Å; W145-T147 PolarHBondContact O-N 2.77Å; W145-I150 HydrophobicContact CD2-CG2 3.88Å; W145-I150 HydrophobicContact CE3-CG2 3.82Å; W145-I150 HydrophobicContact CG-CG2 4.45Å; W145-I150 HydrophobicContact CH2-CG2 4.36Å; W145-I150 HydrophobicContact CZ2-CG2 4.41Å; W145-I150 HydrophobicContact CZ3-CG2 4.08Å; W145-R151 HydrophobicContact CE3-CG 4.45Å; W145-R151 WeakPolarHBondContact O-CD 3.47Å; W145-R151 WeakPolarHBondContact O-CG 3.19Å; W145-Y154 HydrophobicContact CH2-CD2 4.05Å; W145-Y154 HydrophobicContact CH2-CG 4.04Å; W145-Y154 HydrophobicContact CZ3-CD1 4.22Å; W145-Y154 HydrophobicContact CZ3-CD2 4.37Å; W145-Y154 AromaticContact CZ3-CG 3.89Å; W145-Y154 HydrophobicContact CZ3-CG 3.89Å; W145-I179 HydrophobicContact CH2-CG2 4.09Å; W145-I179 HydrophobicContact CZ2-CG2 3.87Å; W145-H195 AromaticContact CD1-NE2 3.9Å; W145-H195 AromaticContact CD2-CE1 3.6Å; W145-H195 AromaticContact CD2-NE2 3.9Å; W145-H195 AromaticContact CE2-CE1 3.3Å; W145-H195 AromaticContact CE2-NE2 3.24Å; W145-H195 AromaticContact CE3-CE1 3.91Å; W145-H195 AromaticContact CH2-CE1 3.71Å; W145-H195 AromaticContact CZ2-CE1 3.38Å; W145-H195 WeakPolarHBondContact CZ2-CE1 3.33Å; W145-H195 AromaticContact CZ2-NE2 3.45Å; W145-H195 WeakPolarHBondContact CZ2-NE2 3.32Å; W145-H195 AromaticContact CZ3-CE1 3.96Å; W145-H195 AromaticContact NE1-CE1 3.75Å; W145-H195 AromaticContact NE1-NE2 3.24Å; W145-H195 PolarHBondContact NE1-NE2 3.48Å; W145-P196 HydrophobicContact CB-CB 4.34Å; W145-P196 HydrophobicContact CB-CG 3.35Å; W145-P196 HydrophobicContact CD2-CG 4.43Å; W145-P196 HydrophobicContact CG-CG 3.78Å; W145-A197 HydrophobicContact CE3-CB 4.05Å; W145-A197 HydrophobicContact CH2-CB 4.25Å; W145-A197 HydrophobicContact CZ3-CB 3.71Å |
| 146 | S | 78.4 | Confident | 84.4 | Confident | 94 Ų | 94 | 51.7 Ų | 51.7 | 66% | 0.657 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -61.9 | -29.6 | 168.9 | 64.7 | 0 | 0 | 0 | 0 | 111.7 | D143 S144 | D143-S146 WeakPolarHBondContact O-CB 3.49Å; D143-S146 PolarHBondContact O-N 3.02Å; D143-S146 PolarHBondContact O-OG 2.85Å; S144-S146 PolarHBondContact O-N 3.13Å |
| 147 | T | 85.4 | Confident | 84.6 | Confident | 67 Ų | 67 | 51.7 Ų | 51.7 | 41% | 0.411 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -69 | 129.5 | -176.9 | -42 | 0 | 0 | 0 | 0 | 112.4 | S144 W145 S149 I150 R151 | S144-T147 VanDerWaalsContact O-CB 3.26Å; S144-T147 WeakPolarHBondContact O-CB 3.25Å; S144-T147 PolarHBondContact O-N 2.84Å; S144-T147 PolarHBondContact O-OG1 3.02Å; W145-T147 PolarHBondContact O-N 2.77Å; T147-S149 WeakPolarHBondContact CG2-OG 3.41Å; T147-S149 PolarHBondContact O-N 3.07Å; T147-I150 PolarHBondContact O-N 2.94Å; T147-R151 PolarHBondContact O-N 3.02Å |
| 148 | E | 84.7 | Confident | 84.7 | Confident | 95 Ų | 95 | 51.8 Ų | 51.8 | 44% | 0.444 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.2 | -34.6 | 176.9 | 177.4 | 61 | -144.2 | 0 | 0 | 113.2 | I150 R151 H152 R155 | E148-I150 PolarHBondContact O-N 3.07Å; E148-R151 PolarHBondContact O-N 3.42Å; E148-R151 IonicContact OE2-CZ 2.98Å; E148-R151 IonicContact OE2-NH1 3.48Å; E148-R151 PolarHBondContact OE2-NH1 3.26Å; E148-R151 IonicContact OE2-NH2 3.83Å; E148-R151 PolarHBondContact OE2-NH2 3.22Å; E148-H152 VanDerWaalsContact O-CB 3.25Å; E148-H152 WeakPolarHBondContact O-CB 3.34Å; E148-H152 PolarHBondContact O-N 3.27Å; E148-R155 IonicContact OE1-CZ 2.62Å; E148-R155 IonicContact OE1-NH1 2.88Å; E148-R155 PolarHBondContact OE1-NH1 2.98Å; E148-R155 IonicContact OE1-NH2 2.99Å; E148-R155 PolarHBondContact OE1-NH2 3.08Å; E148-R155 IonicContact OE2-NH2 2.77Å |
| 149 | S | 83.9 | Confident | 84.8 | Confident | 71 Ų | 71 | 53.7 Ų | 53.7 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 179.2 | 59.7 | 0 | 0 | 0 | 0 | 112.5 | T147 H152 V153 | T147-S149 WeakPolarHBondContact CG2-OG 3.41Å; T147-S149 PolarHBondContact O-N 3.07Å; S149-H152 WeakPolarHBondContact O-CB 3.43Å; S149-H152 PolarHBondContact O-N 2.98Å; S149-V153 VanDerWaalsContact O-CG2 3.32Å; S149-V153 WeakPolarHBondContact O-CG2 3.39Å; S149-V153 PolarHBondContact O-N 3.29Å |
| 150 | I | 86.6 | Confident | 85 | Confident | 14 Ų | 14 | 54 Ų | 54 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.9 | -42.9 | -179.6 | -70.6 | 165.4 | 0 | 0 | 0 | 110.5 | L137 Q140 S144 W145 T147 E148 H152 V153 Y154 | L137-I150 HydrophobicContact CD2-CG2 3.89Å; Q140-I150 HydrophobicContact CG-CD1 4.31Å; S144-I150 VanDerWaalsContact O-CD1 3.27Å; S144-I150 WeakPolarHBondContact O-CD1 3.5Å; W145-I150 HydrophobicContact CD2-CG2 3.88Å; W145-I150 HydrophobicContact CE3-CG2 3.82Å; W145-I150 HydrophobicContact CG-CG2 4.45Å; W145-I150 HydrophobicContact CH2-CG2 4.36Å; W145-I150 HydrophobicContact CZ2-CG2 4.41Å; W145-I150 HydrophobicContact CZ3-CG2 4.08Å; T147-I150 PolarHBondContact O-N 2.94Å; E148-I150 PolarHBondContact O-N 3.07Å; I150-H152 PolarHBondContact O-N 3.47Å; I150-V153 PolarHBondContact O-N 2.99Å; I150-Y154 PolarHBondContact O-N 3.49Å |
| 151 | R | 85.3 | Confident | 85 | Confident | 74 Ų | 74 | 53.4 Ų | 53.4 | 28% | 0.279 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.6 | -32.2 | 174.2 | -67.4 | -175.2 | -70.5 | 92.1 | 0.7 | 112.3 | W145 T147 E148 Y154 R155 | W145-R151 HydrophobicContact CE3-CG 4.45Å; W145-R151 WeakPolarHBondContact O-CD 3.47Å; W145-R151 WeakPolarHBondContact O-CG 3.19Å; T147-R151 PolarHBondContact O-N 3.02Å; E148-R151 PolarHBondContact O-N 3.42Å; E148-R151 IonicContact OE2-CZ 2.98Å; E148-R151 IonicContact OE2-NH1 3.48Å; E148-R151 PolarHBondContact OE2-NH1 3.26Å; E148-R151 IonicContact OE2-NH2 3.83Å; E148-R151 PolarHBondContact OE2-NH2 3.22Å; R151-Y154 PolarHBondContact O-N 3.26Å; R151-R155 PolarHBondContact O-N 2.87Å |
| 152 | H | 87.1 | Confident | 85.2 | Confident | 87 Ų | 87 | 53.7 Ų | 53.7 | 40% | 0.403 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.1 | -44.5 | 174.2 | -177.9 | 82.7 | 0 | 0 | 0 | 111.7 | E148 S149 I150 Y154 R155 H156 | E148-H152 VanDerWaalsContact O-CB 3.25Å; E148-H152 WeakPolarHBondContact O-CB 3.34Å; E148-H152 PolarHBondContact O-N 3.27Å; S149-H152 WeakPolarHBondContact O-CB 3.43Å; S149-H152 PolarHBondContact O-N 2.98Å; I150-H152 PolarHBondContact O-N 3.47Å; H152-Y154 PolarHBondContact O-N 3.02Å; H152-R155 WeakPolarHBondContact O-CB 3.49Å; H152-R155 PolarHBondContact O-N 3.47Å; H152-R155 VanDerWaalsContact O-N 3.16Å; H152-H156 AromaticContact CD2-CD2 3.71Å; H152-H156 AromaticContact CD2-NE2 3.51Å; H152-H156 AromaticContact CE1-NE2 3.51Å; H152-H156 AromaticContact NE2-CD2 3.59Å; H152-H156 AromaticContact NE2-NE2 2.89Å; H152-H156 PolarHBondContact NE2-NE2 3.3Å; H152-H156 PolarHBondContact O-CD2 3.39Å; H152-H156 VanDerWaalsContact O-CD2 3.23Å; H152-H156 PolarHBondContact O-N 3.44Å |
| 153 | V | 87.2 | Confident | 85.6 | Confident | 13 Ų | 13 | 49 Ų | 49 | 8% | 0.079 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.2 | -41.3 | 172.8 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | A107 I111 L133 L137 S149 I150 H156 V157 | A107-V153 HydrophobicContact CB-CG1 4.07Å; A107-V153 HydrophobicContact CB-CG2 3.61Å; I111-V153 HydrophobicContact CD1-CB 4.22Å; I111-V153 HydrophobicContact CD1-CG1 4.15Å; I111-V153 HydrophobicContact CD1-CG2 3.79Å; L133-V153 HydrophobicContact CD2-CG1 3.98Å; L137-V153 HydrophobicContact CD1-CG1 4.24Å; L137-V153 HydrophobicContact CD2-CB 4.16Å; L137-V153 HydrophobicContact CD2-CG1 3.88Å; L137-V153 HydrophobicContact CG-CG1 4.22Å; S149-V153 VanDerWaalsContact O-CG2 3.32Å; S149-V153 WeakPolarHBondContact O-CG2 3.39Å; S149-V153 PolarHBondContact O-N 3.29Å; I150-V153 PolarHBondContact O-N 2.99Å; V153-H156 WeakPolarHBondContact O-CB 3.45Å; V153-H156 PolarHBondContact O-N 3.23Å; V153-V157 PolarHBondContact O-N 3.34Å |
| 154 | Y | 90.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.4 | -38.3 | 176.1 | -171.7 | -120 | 0 | 0 | 0 | 113.4 | L137 W145 I150 R151 H152 H156 V157 L158 I176 I179 A197 T201 | L137-Y154 HydrophobicContact CD1-CD2 3.8Å; L137-Y154 HydrophobicContact CD1-CG 4.47Å; W145-Y154 HydrophobicContact CH2-CD2 4.05Å; W145-Y154 HydrophobicContact CH2-CG 4.04Å; W145-Y154 HydrophobicContact CZ3-CD1 4.22Å; W145-Y154 HydrophobicContact CZ3-CD2 4.37Å; W145-Y154 AromaticContact CZ3-CG 3.89Å; W145-Y154 HydrophobicContact CZ3-CG 3.89Å; I150-Y154 PolarHBondContact O-N 3.49Å; R151-Y154 PolarHBondContact O-N 3.26Å; H152-Y154 PolarHBondContact O-N 3.02Å; Y154-H156 VanDerWaalsContact C-N 3.27Å; Y154-H156 PolarHBondContact O-N 2.76Å; Y154-V157 WeakPolarHBondContact O-CB 3.38Å; Y154-V157 PolarHBondContact O-N 3.24Å; Y154-V157 VanDerWaalsContact O-N 3.08Å; Y154-L158 HydrophobicContact CD1-CD1 3.85Å; Y154-L158 HydrophobicContact CD1-CG 4.17Å; Y154-L158 HydrophobicContact CE1-CD1 3.63Å; Y154-L158 HydrophobicContact CE1-CD2 4.01Å; Y154-L158 HydrophobicContact CE1-CG 3.86Å; Y154-L158 HydrophobicContact CE2-CD2 4.47Å; Y154-L158 WeakPolarHBondContact O-CG 3.38Å; Y154-L158 PolarHBondContact O-N 3.44Å; Y154-I176 HydrophobicContact CE2-CG1 4.5Å; Y154-I179 HydrophobicContact CD2-CD1 4.41Å; Y154-I179 HydrophobicContact CE2-CD1 4.13Å; Y154-A197 HydrophobicContact CD1-CB 3.97Å; Y154-A197 HydrophobicContact CE1-CB 3.66Å; Y154-T201 WeakPolarHBondContact CE1-OG1 3.33Å; Y154-T201 PolarHBondContact OH-OG1 3.38Å |
| 155 | R | 89.7 | Confident | 85.8 | Confident | 88 Ų | 88 | 51.8 Ų | 51.8 | 33% | 0.332 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.3 | -38.7 | 173 | -76.3 | 175.8 | -123.5 | 125.6 | 20.9 | 112.7 | E148 R151 H152 V157 L158 R159 | E148-R155 IonicContact OE1-CZ 2.62Å; E148-R155 IonicContact OE1-NH1 2.88Å; E148-R155 PolarHBondContact OE1-NH1 2.98Å; E148-R155 IonicContact OE1-NH2 2.99Å; E148-R155 PolarHBondContact OE1-NH2 3.08Å; E148-R155 IonicContact OE2-NH2 2.77Å; R151-R155 PolarHBondContact O-N 2.87Å; H152-R155 WeakPolarHBondContact O-CB 3.49Å; H152-R155 PolarHBondContact O-N 3.47Å; H152-R155 VanDerWaalsContact O-N 3.16Å; R155-V157 VanDerWaalsContact C-N 3.29Å; R155-V157 PolarHBondContact O-N 2.97Å; R155-L158 PolarHBondContact O-N 3.42Å; R155-R159 PolarHBondContact O-N 3.11Å; R155-R159 VanDerWaalsContact O-N 3.11Å |
| 156 | H | 87.5 | Confident | 85.8 | Confident | 41 Ų | 41 | 54.8 Ų | 54.8 | 19% | 0.19 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.1 | -37.6 | 175.8 | -75.3 | -68.8 | 0 | 0 | 0 | 112.1 | I111 H152 V153 Y154 F160 | I111-H156 HydrophobicContact CG1-CB 4.48Å; H152-H156 AromaticContact CD2-CD2 3.71Å; H152-H156 AromaticContact CD2-NE2 3.51Å; H152-H156 AromaticContact CE1-NE2 3.51Å; H152-H156 AromaticContact NE2-CD2 3.59Å; H152-H156 AromaticContact NE2-NE2 2.89Å; H152-H156 PolarHBondContact NE2-NE2 3.3Å; H152-H156 PolarHBondContact O-CD2 3.39Å; H152-H156 VanDerWaalsContact O-CD2 3.23Å; H152-H156 PolarHBondContact O-N 3.44Å; V153-H156 WeakPolarHBondContact O-CB 3.45Å; V153-H156 PolarHBondContact O-N 3.23Å; Y154-H156 VanDerWaalsContact C-N 3.27Å; Y154-H156 PolarHBondContact O-N 2.76Å; H156-F160 WeakPolarHBondContact O-CD2 3.5Å; H156-F160 WeakPolarHBondContact O-CE2 3.41Å |
| 157 | V | 88.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66 | -46.8 | 174.1 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | L130 L133 L137 V153 Y154 R155 R159 F160 C172 I176 | L130-V157 HydrophobicContact CD1-CB 4.21Å; L130-V157 HydrophobicContact CD1-CG1 3.88Å; L130-V157 HydrophobicContact CD1-CG2 4.07Å; L133-V157 HydrophobicContact CB-CG2 4.1Å; L133-V157 HydrophobicContact CD1-CG2 4.36Å; L137-V157 HydrophobicContact CD1-CG2 4.01Å; V153-V157 PolarHBondContact O-N 3.34Å; Y154-V157 WeakPolarHBondContact O-CB 3.38Å; Y154-V157 PolarHBondContact O-N 3.24Å; Y154-V157 VanDerWaalsContact O-N 3.08Å; R155-V157 VanDerWaalsContact C-N 3.29Å; R155-V157 PolarHBondContact O-N 2.97Å; V157-R159 PolarHBondContact O-N 3.3Å; V157-F160 PolarHBondContact O-N 3.35Å; V157-F160 VanDerWaalsContact O-N 3.08Å; V157-C172 PolarHBondContact O-SG 2.97Å; V157-I176 HydrophobicContact CG1-CG1 4.44Å |
| 158 | L | 88.6 | Confident | 86.1 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.4 | -33.4 | 179.4 | -72.5 | 177.2 | 0 | 0 | 0 | 112.9 | Y154 R155 F160 V161 I176 Q200 T201 H204 | Y154-L158 HydrophobicContact CD1-CD1 3.85Å; Y154-L158 HydrophobicContact CD1-CG 4.17Å; Y154-L158 HydrophobicContact CE1-CD1 3.63Å; Y154-L158 HydrophobicContact CE1-CD2 4.01Å; Y154-L158 HydrophobicContact CE1-CG 3.86Å; Y154-L158 HydrophobicContact CE2-CD2 4.47Å; Y154-L158 WeakPolarHBondContact O-CG 3.38Å; Y154-L158 PolarHBondContact O-N 3.44Å; R155-L158 PolarHBondContact O-N 3.42Å; L158-F160 PolarHBondContact O-N 2.63Å; L158-V161 HydrophobicContact CD2-CG2 4.39Å; L158-V161 WeakPolarHBondContact O-CB 3.49Å; L158-V161 WeakPolarHBondContact O-CG2 3.32Å; L158-V161 PolarHBondContact O-N 3.27Å; L158-I176 HydrophobicContact CD2-CD1 3.96Å; L158-Q200 HydrophobicContact CD1-CG 4.25Å; L158-T201 HydrophobicContact CD2-CG2 4.15Å; L158-H204 HydrophobicContact CD1-CB 4.19Å; L158-H204 PolarHBondContact O-NE2 3.16Å |
| 159 | R | 86.8 | Confident | 86.4 | Confident | 149 Ų | 149 | 45.5 Ų | 45.5 | 56% | 0.562 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -11.3 | 177 | -155.6 | -177.9 | 72.3 | 157.3 | 0.5 | 114.7 | R155 V157 | R155-R159 PolarHBondContact O-N 3.11Å; R155-R159 VanDerWaalsContact O-N 3.11Å; V157-R159 PolarHBondContact O-N 3.3Å |
| 160 | F | 87.9 | Confident | 86.6 | Confident | 9 Ų | 9 | 49 Ų | 49 | 4% | 0.039 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 7.5 | 178.1 | -67.1 | -83.7 | 0 | 0 | 0 | 113.8 | L114 I119 I126 L130 H156 V157 L158 S163 I168 C172 | L114-F160 HydrophobicContact CD1-CE2 4.01Å; L114-F160 HydrophobicContact CD1-CZ 4.42Å; L114-F160 HydrophobicContact CD2-CZ 4.32Å; I119-F160 HydrophobicContact CD1-CE1 4.43Å; I119-F160 HydrophobicContact CG1-CE1 4.47Å; I126-F160 HydrophobicContact CG2-CD1 4.43Å; I126-F160 HydrophobicContact CG2-CE1 4.13Å; L130-F160 HydrophobicContact CD1-CD2 4.25Å; L130-F160 HydrophobicContact CD2-CB 4.18Å; H156-F160 WeakPolarHBondContact O-CD2 3.5Å; H156-F160 WeakPolarHBondContact O-CE2 3.41Å; V157-F160 PolarHBondContact O-N 3.35Å; V157-F160 VanDerWaalsContact O-N 3.08Å; L158-F160 PolarHBondContact O-N 2.63Å; F160-S163 WeakPolarHBondContact O-CB 3.42Å; F160-S163 PolarHBondContact O-N 2.74Å; F160-I168 HydrophobicContact CB-CG2 4.25Å; F160-I168 HydrophobicContact CD1-CG2 4.04Å; F160-I168 HydrophobicContact CG-CG2 4.45Å; F160-C172 HydrophobicContact CB-CB 4.49Å |
| 161 | V | 87.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -39.4 | -178.1 | 165 | 0 | 0 | 0 | 0 | 112.9 | L158 S163 H173 I176 L205 L236 | L158-V161 HydrophobicContact CD2-CG2 4.39Å; L158-V161 WeakPolarHBondContact O-CB 3.49Å; L158-V161 WeakPolarHBondContact O-CG2 3.32Å; L158-V161 PolarHBondContact O-N 3.27Å; V161-S163 VanDerWaalsContact C-N 3.32Å; V161-H173 PolarHBondContact O-NE2 2.77Å; V161-H173 VanDerWaalsContact O-NE2 3.09Å; V161-I176 HydrophobicContact CG2-CD1 3.53Å; V161-L205 HydrophobicContact CG1-CD2 3.57Å; V161-L236 HydrophobicContact CG1-CD2 3.87Å; V161-L236 HydrophobicContact CG2-CD2 4.09Å |
| 162 | D | 84.7 | Confident | 86.8 | Confident | 54 Ų | 54 | 45.6 Ų | 45.6 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 8.8 | -178 | 65.2 | -31 | 0 | 0 | 0 | 113.3 | E164 V208 | D162-E164 PolarHBondContact O-N 3.21Å; D162-V208 HydrophobicContact CB-CG1 4.22Å |
| 163 | S | 85.3 | Confident | 87.2 | Confident | 15 Ų | 15 | 42.7 Ų | 42.7 | 11% | 0.105 | 20% | 0.202 | C | C | . | . | trans | -57.1 | 130.7 | -178.1 | -176 | 0 | 0 | 0 | 0 | 112.6 | F160 V161 K165 R169 | F160-S163 WeakPolarHBondContact O-CB 3.42Å; F160-S163 PolarHBondContact O-N 2.74Å; V161-S163 VanDerWaalsContact C-N 3.32Å; S163-K165 VanDerWaalsContact C-N 3.32Å; S163-K165 PolarHBondContact O-N 3.04Å; S163-R169 WeakPolarHBondContact O-CD 3.44Å; S163-R169 PolarHBondContact O-NH1 2.93Å | ||
| 164 | E | 79.4 | Confident | 87.3 | Confident | 116 Ų | 116 | 45.1 Ų | 45.1 | 54% | 0.542 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -63.9 | -36.9 | 176.2 | -63 | -174.7 | 162.2 | 0 | 0 | 112.4 | D162 P166 R169 V225 R229 | D162-E164 PolarHBondContact O-N 3.21Å; E164-P166 WeakPolarHBondContact O-CD 3.42Å; E164-R169 PolarHBondContact O-NH1 3.47Å; E164-V225 HydrophobicContact CG-CG1 4.44Å; E164-V225 WeakPolarHBondContact OE1-CG1 3.48Å; E164-R229 IonicContact OE1-CZ 3.68Å; E164-R229 IonicContact OE1-NE 3.78Å; E164-R229 IonicContact OE1-NH2 3.68Å; E164-R229 PolarHBondContact OE1-NH2 2.86Å |
| 165 | K | 83.6 | Confident | 87.2 | Confident | 92 Ų | 92 | 45.5 Ų | 45.5 | 40% | 0.4 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -70.5 | 117.9 | -177.3 | -69.2 | -73.1 | -175.9 | 176.9 | 0 | 110.1 | S163 S167 I168 R169 | S163-K165 VanDerWaalsContact C-N 3.32Å; S163-K165 PolarHBondContact O-N 3.04Å; K165-S167 VanDerWaalsContact C-N 3.27Å; K165-S167 PolarHBondContact O-N 3.22Å; K165-I168 HydrophobicContact CB-CB 4.45Å; K165-I168 HydrophobicContact CB-CD1 4.02Å; K165-I168 HydrophobicContact CB-CG1 4.24Å; K165-I168 HydrophobicContact CG-CD1 4.46Å; K165-I168 PolarHBondContact O-N 3.22Å; K165-R169 PolarHBondContact O-N 2.9Å |
| 166 | P | 83.2 | Confident | 87.2 | Confident | 68 Ų | 68 | 41.3 Ų | 41.3 | 44% | 0.442 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.8 | -28.8 | -173.8 | 26.1 | -34.9 | 0 | 0 | 0 | 113.2 | E164 K170 | E164-P166 WeakPolarHBondContact O-CD 3.42Å; P166-K170 VanDerWaalsContact O-CB 3.23Å; P166-K170 WeakPolarHBondContact O-CB 3.44Å; P166-K170 VanDerWaalsContact O-CG 3.23Å; P166-K170 WeakPolarHBondContact O-CG 3.29Å; P166-K170 PolarHBondContact O-N 3.37Å |
| 167 | S | 83.7 | Confident | 87.3 | Confident | 45 Ų | 45 | 41.5 Ų | 41.5 | 32% | 0.315 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66 | -39.1 | 178.4 | 53.8 | 0 | 0 | 0 | 0 | 112.6 | K165 S171 | K165-S167 VanDerWaalsContact C-N 3.27Å; K165-S167 PolarHBondContact O-N 3.22Å; S167-S171 WeakPolarHBondContact O-CB 3.35Å; S167-S171 PolarHBondContact O-N 2.79Å |
| 168 | I | 87 | Confident | 87 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -76.6 | -52.7 | 178.4 | -59.5 | 173.6 | 0 | 0 | 0 | 109 | I119 A123 I126 L130 F160 K165 K170 S171 C172 | I119-I168 HydrophobicContact CG2-CD1 3.94Å; A123-I168 HydrophobicContact CB-CD1 4.28Å; I126-I168 HydrophobicContact CB-CD1 4.12Å; I126-I168 HydrophobicContact CB-CG1 4.38Å; I126-I168 HydrophobicContact CD1-CD1 4.27Å; I126-I168 HydrophobicContact CG2-CD1 3.91Å; I126-I168 HydrophobicContact CG2-CG1 4.09Å; I126-I168 HydrophobicContact CG2-CG2 3.87Å; L130-I168 HydrophobicContact CD2-CG2 4.15Å; F160-I168 HydrophobicContact CB-CG2 4.25Å; F160-I168 HydrophobicContact CD1-CG2 4.04Å; F160-I168 HydrophobicContact CG-CG2 4.45Å; K165-I168 HydrophobicContact CB-CB 4.45Å; K165-I168 HydrophobicContact CB-CD1 4.02Å; K165-I168 HydrophobicContact CB-CG1 4.24Å; K165-I168 HydrophobicContact CG-CD1 4.46Å; K165-I168 PolarHBondContact O-N 3.22Å; I168-K170 PolarHBondContact O-N 3.27Å; I168-S171 WeakPolarHBondContact O-CA 3.49Å; I168-S171 WeakPolarHBondContact O-CB 3.35Å; I168-S171 PolarHBondContact O-N 3.43Å; I168-S171 VanDerWaalsContact O-N 3.07Å; I168-C172 PolarHBondContact O-N 3.37Å |
| 169 | R | 90.2 | Very high | 86.9 | Confident | 15 Ų | 15 | 44.9 Ų | 44.9 | 6% | 0.057 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.9 | -51.6 | -179.6 | -175.3 | 174.9 | 65.8 | -98.6 | 4.8 | 112.9 | S163 E164 K165 S171 C172 H173 H232 | S163-R169 WeakPolarHBondContact O-CD 3.44Å; S163-R169 PolarHBondContact O-NH1 2.93Å; E164-R169 PolarHBondContact O-NH1 3.47Å; K165-R169 PolarHBondContact O-N 2.9Å; R169-S171 VanDerWaalsContact C-N 3.26Å; R169-S171 PolarHBondContact O-N 2.89Å; R169-C172 VanDerWaalsContact O-CB 3.29Å; R169-C172 WeakPolarHBondContact O-CB 3.45Å; R169-C172 PolarHBondContact O-N 3.41Å; R169-C172 VanDerWaalsContact O-N 3.11Å; R169-H173 WeakPolarHBondContact CG-NE2 3.23Å; R169-H173 WeakPolarHBondContact O-CB 3.23Å; R169-H173 PolarHBondContact O-CD2 3.41Å; R169-H173 VanDerWaalsContact O-CD2 3.25Å; R169-H173 VanDerWaalsContact O-CG 3.3Å; R169-H173 PolarHBondContact O-N 2.78Å; R169-H232 VanDerWaalsContact CZ-CE1 3.46Å; R169-H232 PolarHBondContact NE-ND1 3.08Å; R169-H232 PolarHBondContact NH2-CE1 3.43Å; R169-H232 PolarHBondContact NH2-ND1 2.7Å; R169-H232 PolarHBondContact NH2-NE2 3.38Å |
| 170 | K | 89.1 | Confident | 86.8 | Confident | 146 Ų | 146 | 37.8 Ų | 37.8 | 64% | 0.635 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -62.5 | -34.4 | 178.5 | -70.1 | -177.8 | 178.3 | -173.2 | 0 | 112.3 | P166 I168 S174 | P166-K170 VanDerWaalsContact O-CB 3.23Å; P166-K170 WeakPolarHBondContact O-CB 3.44Å; P166-K170 VanDerWaalsContact O-CG 3.23Å; P166-K170 WeakPolarHBondContact O-CG 3.29Å; P166-K170 PolarHBondContact O-N 3.37Å; I168-K170 PolarHBondContact O-N 3.27Å; K170-S174 VanDerWaalsContact O-CB 3.24Å; K170-S174 WeakPolarHBondContact O-CB 3.44Å; K170-S174 PolarHBondContact O-N 2.99Å |
| 171 | S | 85.3 | Confident | 86.4 | Confident | 15 Ų | 15 | 39.1 Ų | 39.1 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.5 | -39.3 | 175.2 | -160.5 | 0 | 0 | 0 | 0 | 111.7 | K127 T131 S167 I168 R169 S175 | K127-S171 PolarHBondContact O-OG 2.63Å; T131-S171 PolarHBondContact OG1-OG 3.09Å; S167-S171 WeakPolarHBondContact O-CB 3.35Å; S167-S171 PolarHBondContact O-N 2.79Å; I168-S171 WeakPolarHBondContact O-CA 3.49Å; I168-S171 WeakPolarHBondContact O-CB 3.35Å; I168-S171 PolarHBondContact O-N 3.43Å; I168-S171 VanDerWaalsContact O-N 3.07Å; R169-S171 VanDerWaalsContact C-N 3.26Å; R169-S171 PolarHBondContact O-N 2.89Å; S171-S175 WeakPolarHBondContact O-CB 3.36Å; S171-S175 PolarHBondContact O-N 3.22Å; S171-S175 PolarHBondContact O-OG 3.42Å |
| 172 | C | 90.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62 | -55.7 | 174.2 | -166.1 | 0 | 0 | 0 | 0 | 110.7 | L130 V157 F160 I168 R169 S174 S175 I176 | L130-C172 HydrophobicContact CD2-CB 3.5Å; V157-C172 PolarHBondContact O-SG 2.97Å; F160-C172 HydrophobicContact CB-CB 4.49Å; I168-C172 PolarHBondContact O-N 3.37Å; R169-C172 VanDerWaalsContact O-CB 3.29Å; R169-C172 WeakPolarHBondContact O-CB 3.45Å; R169-C172 PolarHBondContact O-N 3.41Å; R169-C172 VanDerWaalsContact O-N 3.11Å; C172-S174 PolarHBondContact O-N 2.85Å; C172-S175 WeakPolarHBondContact O-CB 3.18Å; C172-S175 PolarHBondContact O-N 3.47Å; C172-I176 WeakPolarHBondContact O-CG1 3.49Å; C172-I176 PolarHBondContact O-N 2.87Å |
| 173 | H | 94.1 | Very high | 84.4 | Confident | 27 Ų | 27 | 39.9 Ų | 39.9 | 13% | 0.125 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.8 | -47.8 | -178.7 | -70.9 | -164.7 | 0 | 0 | 0 | 111.5 | V161 R169 S175 I176 V177 H232 L236 | V161-H173 PolarHBondContact O-NE2 2.77Å; V161-H173 VanDerWaalsContact O-NE2 3.09Å; R169-H173 WeakPolarHBondContact CG-NE2 3.23Å; R169-H173 WeakPolarHBondContact O-CB 3.23Å; R169-H173 PolarHBondContact O-CD2 3.41Å; R169-H173 VanDerWaalsContact O-CD2 3.25Å; R169-H173 VanDerWaalsContact O-CG 3.3Å; R169-H173 PolarHBondContact O-N 2.78Å; H173-S175 VanDerWaalsContact C-N 3.32Å; H173-S175 PolarHBondContact O-N 3.09Å; H173-I176 PolarHBondContact O-N 3.33Å; H173-V177 WeakPolarHBondContact O-CG2 3.29Å; H173-V177 PolarHBondContact O-N 2.97Å; H173-H232 PolarHBondContact CE1-O 3.37Å; H173-H232 VanDerWaalsContact CE1-O 3.29Å; H173-L236 HydrophobicContact CB-CD1 3.81Å; H173-L236 VanDerWaalsContact CD2-CD2 3.49Å; H173-L236 WeakPolarHBondContact CD2-CD2 3.27Å |
| 174 | S | 89.5 | Confident | 82.8 | Confident | 64 Ų | 64 | 41.5 Ų | 41.5 | 45% | 0.448 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60 | -42.2 | 175.3 | -172.8 | 0 | 0 | 0 | 0 | 112 | K170 C172 D178 | K170-S174 VanDerWaalsContact O-CB 3.24Å; K170-S174 WeakPolarHBondContact O-CB 3.44Å; K170-S174 PolarHBondContact O-N 2.99Å; C172-S174 PolarHBondContact O-N 2.85Å; S174-D178 VanDerWaalsContact O-CB 3.3Å; S174-D178 WeakPolarHBondContact O-CB 3.48Å; S174-D178 PolarHBondContact O-N 3.07Å |
| 175 | S | 87.6 | Confident | 81.2 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 6% | 0.056 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.7 | -40.4 | 179.3 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | S171 C172 H173 D178 I179 | S171-S175 WeakPolarHBondContact O-CB 3.36Å; S171-S175 PolarHBondContact O-N 3.22Å; S171-S175 PolarHBondContact O-OG 3.42Å; C172-S175 WeakPolarHBondContact O-CB 3.18Å; C172-S175 PolarHBondContact O-N 3.47Å; H173-S175 VanDerWaalsContact C-N 3.32Å; H173-S175 PolarHBondContact O-N 3.09Å; S175-D178 PolarHBondContact O-N 3.49Å; S175-I179 WeakPolarHBondContact O-CB 3.07Å; S175-I179 WeakPolarHBondContact O-CD1 3.35Å; S175-I179 WeakPolarHBondContact O-CG1 3.49Å; S175-I179 PolarHBondContact O-N 3.2Å |
| 176 | I | 90.9 | Very high | 79.1 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65 | -48.9 | 177.8 | -67.7 | 166.5 | 0 | 0 | 0 | 110.6 | Y154 V157 L158 V161 C172 H173 D178 I179 L180 T201 L236 I240 | Y154-I176 HydrophobicContact CE2-CG1 4.5Å; V157-I176 HydrophobicContact CG1-CG1 4.44Å; L158-I176 HydrophobicContact CD2-CD1 3.96Å; V161-I176 HydrophobicContact CG2-CD1 3.53Å; C172-I176 WeakPolarHBondContact O-CG1 3.49Å; C172-I176 PolarHBondContact O-N 2.87Å; H173-I176 PolarHBondContact O-N 3.33Å; I176-D178 VanDerWaalsContact C-N 3.29Å; I176-D178 PolarHBondContact O-N 3.36Å; I176-I179 PolarHBondContact O-N 3.1Å; I176-L180 HydrophobicContact CG2-CD1 4.04Å; I176-L180 HydrophobicContact CG2-CG 4.46Å; I176-L180 WeakPolarHBondContact O-CG 3.24Å; I176-L180 PolarHBondContact O-N 2.98Å; I176-T201 HydrophobicContact CG2-CG2 3.87Å; I176-L236 HydrophobicContact CD1-CD2 3.99Å; I176-I240 HydrophobicContact CG2-CD1 3.5Å; I176-I240 VanDerWaalsContact CG2-CD1 3.5Å; I176-I240 HydrophobicContact CG2-CG1 4.44Å |
| 177 | V | 88.4 | Confident | 77.1 | Confident | 45 Ų | 45 | 39.2 Ų | 39.2 | 27% | 0.273 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.8 | -41.5 | 177.4 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | H173 G181 L236 S239 I240 | H173-V177 WeakPolarHBondContact O-CG2 3.29Å; H173-V177 PolarHBondContact O-N 2.97Å; V177-G181 PolarHBondContact O-N 3.38Å; V177-L236 HydrophobicContact CG2-CD1 3.97Å; V177-S239 WeakPolarHBondContact CG2-OG 3.46Å; V177-I240 HydrophobicContact CG2-CG1 4.06Å |
| 178 | D | 84.1 | Confident | 75 | Confident | 75 Ų | 75 | 46.2 Ų | 46.2 | 40% | 0.401 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 177.1 | -75.6 | -14.6 | 0 | 0 | 0 | 112.9 | S174 S175 I176 S182 | S174-D178 VanDerWaalsContact O-CB 3.3Å; S174-D178 WeakPolarHBondContact O-CB 3.48Å; S174-D178 PolarHBondContact O-N 3.07Å; S175-D178 PolarHBondContact O-N 3.49Å; I176-D178 VanDerWaalsContact C-N 3.29Å; I176-D178 PolarHBondContact O-N 3.36Å; D178-S182 VanDerWaalsContact O-CB 3.31Å; D178-S182 WeakPolarHBondContact O-CB 3.45Å; D178-S182 PolarHBondContact O-N 3.47Å; D178-S182 VanDerWaalsContact O-N 3.16Å |
| 179 | I | 86.3 | Confident | 73 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.6 | -53.4 | 177.1 | -71.2 | 161.2 | 0 | 0 | 0 | 109.5 | L137 R138 W145 Y154 S175 I176 G181 S182 | L137-I179 HydrophobicContact CB-CD1 3.82Å; L137-I179 HydrophobicContact CB-CG1 4.25Å; L137-I179 HydrophobicContact CD1-CD1 4.12Å; R138-I179 HydrophobicContact CB-CG1 4.24Å; W145-I179 HydrophobicContact CH2-CG2 4.09Å; W145-I179 HydrophobicContact CZ2-CG2 3.87Å; Y154-I179 HydrophobicContact CD2-CD1 4.41Å; Y154-I179 HydrophobicContact CE2-CD1 4.13Å; S175-I179 WeakPolarHBondContact O-CB 3.07Å; S175-I179 WeakPolarHBondContact O-CD1 3.35Å; S175-I179 WeakPolarHBondContact O-CG1 3.49Å; S175-I179 PolarHBondContact O-N 3.2Å; I176-I179 PolarHBondContact O-N 3.1Å; I179-G181 VanDerWaalsContact C-N 3.34Å; I179-G181 PolarHBondContact O-N 3.11Å; I179-S182 PolarHBondContact O-N 3.01Å; I179-S182 PolarHBondContact O-OG 2.69Å |
| 180 | L | 83.7 | Confident | 71 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.9 | -33.7 | -176.5 | -61 | -179 | 0 | 0 | 0 | 112.4 | I176 H195 A197 T201 I240 L243 | I176-L180 HydrophobicContact CG2-CD1 4.04Å; I176-L180 HydrophobicContact CG2-CG 4.46Å; I176-L180 WeakPolarHBondContact O-CG 3.24Å; I176-L180 PolarHBondContact O-N 2.98Å; L180-H195 HydrophobicContact CD2-CB 4.09Å; L180-A197 HydrophobicContact CD2-CB 4.34Å; L180-T201 HydrophobicContact CD1-CG2 4.18Å; L180-I240 HydrophobicContact CD1-CB 4.4Å; L180-I240 HydrophobicContact CD1-CD1 4.09Å; L180-I240 HydrophobicContact CD1-CG1 4.13Å; L180-I240 HydrophobicContact CD1-CG2 3.4Å; L180-L243 HydrophobicContact CB-CD1 3.98Å |
| 181 | G | 80.5 | Confident | 69.2 | Low | 37 Ų | 37 | 50.1 Ų | 50.1 | 38% | 0.381 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -75.3 | -23.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | V177 I179 L183 | V177-G181 PolarHBondContact O-N 3.38Å; I179-G181 VanDerWaalsContact C-N 3.34Å; I179-G181 PolarHBondContact O-N 3.11Å; G181-L183 VanDerWaalsContact C-N 3.35Å; G181-L183 PolarHBondContact O-N 3.06Å |
| 182 | S | 69.8 | Low | 68 | Low | 32 Ų | 32 | 51.1 Ų | 51.1 | 22% | 0.224 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69 | -26.3 | -172.3 | 66.3 | 0 | 0 | 0 | 0 | 115.3 | D178 I179 | D178-S182 VanDerWaalsContact O-CB 3.31Å; D178-S182 WeakPolarHBondContact O-CB 3.45Å; D178-S182 PolarHBondContact O-N 3.47Å; D178-S182 VanDerWaalsContact O-N 3.16Å; I179-S182 PolarHBondContact O-N 3.01Å; I179-S182 PolarHBondContact O-OG 2.69Å |
| 183 | L | 59.2 | Low | 66.9 | Low | 37 Ų | 37 | 54.4 Ų | 54.4 | 19% | 0.194 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -2 | -173.6 | -113.4 | 82.7 | 0 | 0 | 0 | 114.7 | Y142 G181 V185 | Y142-L183 HydrophobicContact CD2-CD2 3.86Å; Y142-L183 HydrophobicContact CG-CD2 4.4Å; G181-L183 VanDerWaalsContact C-N 3.35Å; G181-L183 PolarHBondContact O-N 3.06Å; L183-V185 PolarHBondContact O-N 3.32Å |
| 184 | N | 52 | Low | 66.1 | Low | 49 Ų | 49 | 55.1 Ų | 55.1 | 26% | 0.262 | 33% | 0.333 | S | S | . | . | trans | -73.6 | 41 | 174.9 | -76.2 | -1.2 | 0 | 0 | 0 | 111.8 | L243 | N184-L243 WeakPolarHBondContact ND2-CD2 3.28Š| ||
| 185 | V | 46 | Very low | 65.9 | Low | 103 Ų | 103 | 52.3 Ų | 52.3 | 62% | 0.624 | 31% | 0.313 | S | S | * | . | trans | -82 | 119.3 | 171.1 | -178.5 | 0 | 0 | 0 | 0 | 106.6 | L183 S187 | L183-V185 PolarHBondContact O-N 3.32Å; V185-S187 PolarHBondContact O-N 3.25Å | ||
| 186 | V | 39.3 | Very low | 65.4 | Low | 99 Ų | 99 | 54.5 Ų | 54.5 | 60% | 0.6 | 33% | 0.327 | S | S | * | . | B | Isolated β-bridge | trans | -52.5 | 112.3 | 169.1 | 179.2 | 0 | 0 | 0 | 0 | 107.1 | ||
| 187 | S | 41.1 | Very low | 65.2 | Low | 26 Ų | 26 | 54.6 Ų | 54.6 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | trans | -59.9 | 157.5 | 173.5 | 60.7 | 0 | 0 | 0 | 0 | 109.8 | V185 T189 G190 D191 | V185-S187 PolarHBondContact O-N 3.25Å; S187-T189 PolarHBondContact O-N 3.21Å; S187-T189 PolarHBondContact OG-OG1 2.96Å; S187-G190 PolarHBondContact O-N 3.34Å; S187-D191 PolarHBondContact N-O 2.86Å; S187-D191 PolarHBondContact OG-N 3.43Å; S187-D191 VanDerWaalsContact OG-N 3.11Å; S187-D191 PolarHBondContact OG-O 3.49Å | ||
| 188 | L | 40.2 | Very low | 65.1 | Low | 193 Ų | 193 | 52.5 Ų | 52.5 | 100% | 1.01 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -20.5 | 172.3 | -77.5 | 155 | 0 | 0 | 0 | 112.6 | G190 | L188-G190 VanDerWaalsContact C-N 3.25Å; L188-G190 PolarHBondContact O-N 2.77Å |
| 189 | T | 45.1 | Very low | 65.3 | Low | 112 Ų | 112 | 53.6 Ų | 53.6 | 69% | 0.687 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 4.5 | 175.2 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | S187 D191 | S187-T189 PolarHBondContact O-N 3.21Å; S187-T189 PolarHBondContact OG-OG1 2.96Å; T189-D191 PolarHBondContact O-N 2.93Å; T189-D191 VanDerWaalsContact O-N 3.15Å |
| 190 | G | 47.2 | Very low | 65.4 | Low | 40 Ų | 40 | 55.3 Ų | 55.3 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 70.2 | 3.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S187 L188 K286 | S187-G190 PolarHBondContact O-N 3.34Å; L188-G190 VanDerWaalsContact C-N 3.25Å; L188-G190 PolarHBondContact O-N 2.77Å; G190-K286 PolarHBondContact O-NZ 3.48Å |
| 191 | D | 52.7 | Low | 65.7 | Low | 90 Ų | 90 | 55.3 Ų | 55.3 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | trans | -83.2 | 123.2 | 176.3 | -85.1 | -32.9 | 0 | 0 | 0 | 111 | S187 T189 I193 K286 | S187-D191 PolarHBondContact N-O 2.86Å; S187-D191 PolarHBondContact OG-N 3.43Å; S187-D191 VanDerWaalsContact OG-N 3.11Å; S187-D191 PolarHBondContact OG-O 3.49Å; T189-D191 PolarHBondContact O-N 2.93Å; T189-D191 VanDerWaalsContact O-N 3.15Å; D191-I193 PolarHBondContact O-N 3.43Å; D191-K286 IonicContact OD1-NZ 3.84Å; D191-K286 PolarHBondContact OD1-NZ 3.2Å | ||
| 192 | V | 59.1 | Low | 66.3 | Low | 36 Ų | 36 | 53.9 Ų | 53.9 | 22% | 0.218 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -73.8 | 105.7 | 171.5 | 179.1 | 0 | 0 | 0 | 0 | 106.4 | F194 K286 | V192-F194 HydrophobicContact CG1-CE1 4.12Å; V192-F194 HydrophobicContact CG1-CE2 4.35Å; V192-F194 HydrophobicContact CG1-CZ 4.01Å; V192-K286 HydrophobicContact CB-CD 3.99Å; V192-K286 HydrophobicContact CG2-CD 4.04Å |
| 193 | I | 67.6 | Low | 67.3 | Low | 70 Ų | 70 | 57.9 Ų | 57.9 | 36% | 0.359 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 118 | 176.1 | -58.4 | 171.9 | 0 | 0 | 0 | 107.3 | Y142 D191 | Y142-I193 HydrophobicContact CD2-CG2 3.84Å; Y142-I193 HydrophobicContact CE2-CG2 3.61Å; D191-I193 PolarHBondContact O-N 3.43Å |
| 194 | F | 78.4 | Confident | 68.9 | Low | 42 Ų | 42 | 58.6 Ų | 58.6 | 18% | 0.184 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -84 | 146.8 | 174.7 | -62.7 | -80.2 | 0 | 0 | 0 | 110.5 | V192 P245 K286 T287 | V192-F194 HydrophobicContact CG1-CE1 4.12Å; V192-F194 HydrophobicContact CG1-CE2 4.35Å; V192-F194 HydrophobicContact CG1-CZ 4.01Å; F194-P245 HydrophobicContact CD1-CB 4.31Å; F194-P245 HydrophobicContact CD2-CB 3.99Å; F194-P245 HydrophobicContact CE2-CB 4.24Å; F194-P245 HydrophobicContact CG-CB 4.02Å; F194-K286 HydrophobicContact CE2-CB 4.42Å; F194-K286 HydrophobicContact CZ-CB 4.18Å; F194-T287 WeakPolarHBondContact CE1-OG1 3.49Å |
| 195 | H | 83.8 | Confident | 70.9 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.019 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 133.3 | 178 | -169.7 | -82.2 | 0 | 0 | 0 | 111.1 | W145 L180 A197 C198 | W145-H195 AromaticContact CD1-NE2 3.9Å; W145-H195 AromaticContact CD2-CE1 3.6Å; W145-H195 AromaticContact CD2-NE2 3.9Å; W145-H195 AromaticContact CE2-CE1 3.3Å; W145-H195 AromaticContact CE2-NE2 3.24Å; W145-H195 AromaticContact CE3-CE1 3.91Å; W145-H195 AromaticContact CH2-CE1 3.71Å; W145-H195 AromaticContact CZ2-CE1 3.38Å; W145-H195 WeakPolarHBondContact CZ2-CE1 3.33Å; W145-H195 AromaticContact CZ2-NE2 3.45Å; W145-H195 WeakPolarHBondContact CZ2-NE2 3.32Å; W145-H195 AromaticContact CZ3-CE1 3.96Å; W145-H195 AromaticContact NE1-CE1 3.75Å; W145-H195 AromaticContact NE1-NE2 3.24Å; W145-H195 PolarHBondContact NE1-NE2 3.48Å; L180-H195 HydrophobicContact CD2-CB 4.09Å; H195-A197 VanDerWaalsContact CE1-CB 3.4Å; H195-A197 WeakPolarHBondContact CE1-CB 3.3Å; H195-A197 VanDerWaalsContact ND1-CB 3.26Å; H195-A197 WeakPolarHBondContact ND1-CB 3.44Å; H195-A197 PolarHBondContact ND1-N 2.93Å; H195-A197 VanDerWaalsContact ND1-N 3.1Å; H195-A197 PolarHBondContact O-N 3.03Å; H195-A197 VanDerWaalsContact O-N 3.15Å; H195-C198 WeakPolarHBondContact O-CB 3.4Å; H195-C198 PolarHBondContact O-N 2.89Å; H195-C198 PolarHBondContact O-SG 3.42Å |
| 196 | P | 78.9 | Confident | 73.1 | Confident | 54 Ų | 54 | 51.5 Ų | 51.5 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -24.5 | -174.5 | 24 | -33.4 | 0 | 0 | 0 | 113.3 | Y142 W145 C198 | Y142-P196 HydrophobicContact CD2-CG 4.42Å; Y142-P196 HydrophobicContact CE2-CG 4.26Å; W145-P196 HydrophobicContact CB-CB 4.34Å; W145-P196 HydrophobicContact CB-CG 3.35Å; W145-P196 HydrophobicContact CD2-CG 4.43Å; W145-P196 HydrophobicContact CG-CG 3.78Å; P196-C198 PolarHBondContact O-N 3.29Å |
| 197 | A | 85.6 | Confident | 75.6 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -75.5 | -5.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | W145 Y154 L180 H195 H199 Q200 T201 | W145-A197 HydrophobicContact CE3-CB 4.05Å; W145-A197 HydrophobicContact CH2-CB 4.25Å; W145-A197 HydrophobicContact CZ3-CB 3.71Å; Y154-A197 HydrophobicContact CD1-CB 3.97Å; Y154-A197 HydrophobicContact CE1-CB 3.66Å; L180-A197 HydrophobicContact CD2-CB 4.34Å; H195-A197 VanDerWaalsContact CE1-CB 3.4Å; H195-A197 WeakPolarHBondContact CE1-CB 3.3Å; H195-A197 VanDerWaalsContact ND1-CB 3.26Å; H195-A197 WeakPolarHBondContact ND1-CB 3.44Å; H195-A197 PolarHBondContact ND1-N 2.93Å; H195-A197 VanDerWaalsContact ND1-N 3.1Å; H195-A197 PolarHBondContact O-N 3.03Å; H195-A197 VanDerWaalsContact O-N 3.15Å; A197-H199 PolarHBondContact O-N 2.93Å; A197-Q200 PolarHBondContact O-N 3.48Å; A197-T201 WeakPolarHBondContact O-CB 3.49Å; A197-T201 PolarHBondContact O-N 3.47Å; A197-T201 PolarHBondContact O-OG1 3.25Å |
| 198 | C | 86.9 | Confident | 78.1 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.7 | -51 | 179 | -77.2 | 0 | 0 | 0 | 0 | 111.7 | H195 P196 Q200 T201 Q202 L244 | H195-C198 WeakPolarHBondContact O-CB 3.4Å; H195-C198 PolarHBondContact O-N 2.89Å; H195-C198 PolarHBondContact O-SG 3.42Å; P196-C198 PolarHBondContact O-N 3.29Å; C198-Q200 PolarHBondContact O-N 3.12Å; C198-T201 PolarHBondContact O-N 3.27Å; C198-T201 VanDerWaalsContact O-N 3.16Å; C198-Q202 PolarHBondContact O-N 3.16Å; C198-L244 HydrophobicContact CB-CD2 3.65Å |
| 199 | H | 88.1 | Confident | 80.5 | Confident | 97 Ų | 97 | 39.5 Ų | 39.5 | 45% | 0.449 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.6 | -51.1 | -179.6 | -176.1 | 67.5 | 0 | 0 | 0 | 111.8 | A197 T201 Q202 E203 D248 | A197-H199 PolarHBondContact O-N 2.93Å; H199-T201 VanDerWaalsContact C-N 3.25Å; H199-T201 PolarHBondContact O-N 2.95Å; H199-Q202 PolarHBondContact O-N 2.95Å; H199-E203 WeakPolarHBondContact O-CB 3.36Å; H199-E203 PolarHBondContact O-N 2.94Å; H199-D248 VanDerWaalsContact CA-OD2 3.27Å; H199-D248 WeakPolarHBondContact CA-OD2 3.15Å; H199-D248 IonicContact CE1-OD1 2.63Å; H199-D248 IonicContact CG-OD1 2.76Å; H199-D248 PolarHBondContact N-OD2 3.44Å; H199-D248 IonicContact ND1-OD1 3.06Å; H199-D248 PolarHBondContact ND1-OD1 2.61Å; H199-D248 IonicContact ND1-OD2 2.72Å |
| 200 | Q | 88.3 | Confident | 82.7 | Confident | 37 Ų | 37 | 38 Ų | 38 | 17% | 0.173 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59 | -36.6 | 178 | -172.6 | -174.3 | -11.6 | 0 | 0 | 112.5 | L158 A197 C198 H204 | L158-Q200 HydrophobicContact CD1-CG 4.25Å; A197-Q200 PolarHBondContact O-N 3.48Å; C198-Q200 PolarHBondContact O-N 3.12Å; Q200-H204 VanDerWaalsContact O-CB 3.29Å; Q200-H204 WeakPolarHBondContact O-CB 3.41Å; Q200-H204 PolarHBondContact O-N 3.01Å; Q200-H204 VanDerWaalsContact O-N 3.12Å |
| 201 | T | 90.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.6 | -45.9 | -180 | -50.7 | 0 | 0 | 0 | 0 | 111.3 | Y154 L158 I176 L180 A197 C198 H199 H204 L205 I240 | Y154-T201 WeakPolarHBondContact CE1-OG1 3.33Å; Y154-T201 PolarHBondContact OH-OG1 3.38Å; L158-T201 HydrophobicContact CD2-CG2 4.15Å; I176-T201 HydrophobicContact CG2-CG2 3.87Å; L180-T201 HydrophobicContact CD1-CG2 4.18Å; A197-T201 WeakPolarHBondContact O-CB 3.49Å; A197-T201 PolarHBondContact O-N 3.47Å; A197-T201 PolarHBondContact O-OG1 3.25Å; C198-T201 PolarHBondContact O-N 3.27Å; C198-T201 VanDerWaalsContact O-N 3.16Å; H199-T201 VanDerWaalsContact C-N 3.25Å; H199-T201 PolarHBondContact O-N 2.95Å; T201-H204 PolarHBondContact O-N 3.23Å; T201-L205 HydrophobicContact CG2-CD1 3.94Å; T201-L205 HydrophobicContact CG2-CG 4.48Å; T201-L205 WeakPolarHBondContact O-CB 3.29Å; T201-L205 VanDerWaalsContact O-CG 3.27Å; T201-L205 WeakPolarHBondContact O-CG 3.41Å; T201-L205 PolarHBondContact O-N 3.46Å; T201-I240 HydrophobicContact CG2-CD1 3.98Å |
| 202 | Q | 92.4 | Very high | 86.4 | Confident | 7 Ų | 7 | 37 Ų | 37 | 3% | 0.033 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.5 | -47.3 | 178.1 | 176.1 | -83.9 | -38.5 | 0 | 0 | 111.1 | C198 H199 H204 L205 C206 L244 D248 A252 | C198-Q202 PolarHBondContact O-N 3.16Å; H199-Q202 PolarHBondContact O-N 2.95Å; Q202-H204 PolarHBondContact O-N 3.39Å; Q202-L205 PolarHBondContact O-N 3.4Å; Q202-C206 PolarHBondContact NE2-SG 2.86Å; Q202-C206 WeakPolarHBondContact O-CB 3.31Å; Q202-C206 PolarHBondContact O-N 3.38Å; Q202-C206 PolarHBondContact O-SG 2.96Å; Q202-L244 HydrophobicContact CB-CD1 4.09Å; Q202-L244 HydrophobicContact CB-CD2 4.42Å; Q202-L244 HydrophobicContact CG-CD1 4.16Å; Q202-D248 HydrophobicContact CB-CB 4.32Å; Q202-D248 HydrophobicContact CG-CB 4.16Å; Q202-A252 HydrophobicContact CG-CB 4.14Å |
| 203 | E | 92.1 | Very high | 87.6 | Confident | 115 Ų | 115 | 36.2 Ų | 36.2 | 54% | 0.537 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.4 | -47.1 | 178.6 | -173.4 | -174.6 | -171.9 | 0 | 0 | 111.2 | H199 C206 S207 | H199-E203 WeakPolarHBondContact O-CB 3.36Å; H199-E203 PolarHBondContact O-N 2.94Å; E203-C206 PolarHBondContact O-N 3.16Å; E203-S207 WeakPolarHBondContact O-CB 3.4Å; E203-S207 PolarHBondContact O-N 2.78Å; E203-S207 PolarHBondContact O-OG 3.15Å |
| 204 | H | 92.6 | Very high | 88.5 | Confident | 53 Ų | 53 | 40.8 Ų | 40.8 | 25% | 0.245 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -49.7 | 177.6 | -176.2 | 71.1 | 0 | 0 | 0 | 111.4 | L158 Q200 T201 Q202 C206 S207 V208 | L158-H204 HydrophobicContact CD1-CB 4.19Å; L158-H204 PolarHBondContact O-NE2 3.16Å; Q200-H204 VanDerWaalsContact O-CB 3.29Å; Q200-H204 WeakPolarHBondContact O-CB 3.41Å; Q200-H204 PolarHBondContact O-N 3.01Å; Q200-H204 VanDerWaalsContact O-N 3.12Å; T201-H204 PolarHBondContact O-N 3.23Å; Q202-H204 PolarHBondContact O-N 3.39Å; H204-C206 PolarHBondContact O-N 2.63Å; H204-S207 PolarHBondContact O-N 3.48Å; H204-S207 PolarHBondContact O-OG 3.44Å; H204-V208 WeakPolarHBondContact O-CG2 3.26Å; H204-V208 PolarHBondContact O-N 3.22Å |
| 205 | L | 93.2 | Very high | 88.7 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.4 | -43.9 | 179.3 | -74.2 | 170.9 | 0 | 0 | 0 | 112.5 | V161 T201 Q202 S207 V208 I209 L236 L237 I240 | V161-L205 HydrophobicContact CG1-CD2 3.57Å; T201-L205 HydrophobicContact CG2-CD1 3.94Å; T201-L205 HydrophobicContact CG2-CG 4.48Å; T201-L205 WeakPolarHBondContact O-CB 3.29Å; T201-L205 VanDerWaalsContact O-CG 3.27Å; T201-L205 WeakPolarHBondContact O-CG 3.41Å; T201-L205 PolarHBondContact O-N 3.46Å; Q202-L205 PolarHBondContact O-N 3.4Å; L205-S207 VanDerWaalsContact C-N 3.33Å; L205-S207 PolarHBondContact O-N 3.33Å; L205-V208 PolarHBondContact O-N 3.46Å; L205-I209 WeakPolarHBondContact O-CB 3.27Å; L205-I209 WeakPolarHBondContact O-CD1 3.24Å; L205-I209 VanDerWaalsContact O-CG1 3.25Å; L205-I209 WeakPolarHBondContact O-CG1 3.46Å; L205-I209 PolarHBondContact O-N 3.07Å; L205-L236 HydrophobicContact CD1-CD2 4.23Å; L205-L236 HydrophobicContact CD1-CG 4.2Å; L205-L236 HydrophobicContact CD2-CD2 3.72Å; L205-L236 HydrophobicContact CD2-CG 4.3Å; L205-L237 HydrophobicContact CB-CD1 4.43Å; L205-L237 HydrophobicContact CD1-CB 4.46Å; L205-L237 HydrophobicContact CD1-CD1 4.18Å; L205-I240 HydrophobicContact CD1-CD1 3.93Å |
| 206 | C | 93.4 | Very high | 88.5 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.3 | -35.7 | 178.8 | -65.3 | 0 | 0 | 0 | 0 | 111.6 | Q202 E203 H204 R210 C255 | Q202-C206 PolarHBondContact NE2-SG 2.86Å; Q202-C206 WeakPolarHBondContact O-CB 3.31Å; Q202-C206 PolarHBondContact O-N 3.38Å; Q202-C206 PolarHBondContact O-SG 2.96Å; E203-C206 PolarHBondContact O-N 3.16Å; H204-C206 PolarHBondContact O-N 2.63Å; C206-R210 WeakPolarHBondContact O-CB 3.45Å; C206-R210 VanDerWaalsContact O-CG 3.31Å; C206-R210 WeakPolarHBondContact O-CG 3.41Å; C206-R210 PolarHBondContact O-N 3.02Å; C206-C255 HydrophobicContact CB-CB 4.1Å |
| 207 | S | 92 | Very high | 88.3 | Confident | 55 Ų | 55 | 47 Ų | 47 | 39% | 0.385 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.1 | -42.4 | 174.6 | 76 | 0 | 0 | 0 | 0 | 112.1 | E203 H204 L205 R210 Q211 | E203-S207 WeakPolarHBondContact O-CB 3.4Å; E203-S207 PolarHBondContact O-N 2.78Å; E203-S207 PolarHBondContact O-OG 3.15Å; H204-S207 PolarHBondContact O-N 3.48Å; H204-S207 PolarHBondContact O-OG 3.44Å; L205-S207 VanDerWaalsContact C-N 3.33Å; L205-S207 PolarHBondContact O-N 3.33Å; S207-R210 PolarHBondContact O-N 3.1Å; S207-Q211 VanDerWaalsContact O-CB 3.27Å; S207-Q211 WeakPolarHBondContact O-CB 3.3Å; S207-Q211 PolarHBondContact O-N 2.87Å |
| 208 | V | 91.8 | Very high | 87.6 | Confident | 9 Ų | 9 | 51 Ų | 51 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64 | -46.4 | 175.7 | 172 | 0 | 0 | 0 | 0 | 110.9 | D162 H204 L205 R210 Q211 E212 | D162-V208 HydrophobicContact CB-CG1 4.22Å; H204-V208 WeakPolarHBondContact O-CG2 3.26Å; H204-V208 PolarHBondContact O-N 3.22Å; L205-V208 PolarHBondContact O-N 3.46Å; V208-R210 PolarHBondContact O-N 3.07Å; V208-Q211 WeakPolarHBondContact O-CB 3.4Å; V208-Q211 PolarHBondContact O-N 3.09Å; V208-E212 HydrophobicContact CG1-CG 4.48Å; V208-E212 WeakPolarHBondContact O-CG 3.38Å; V208-E212 PolarHBondContact O-N 2.86Å |
| 209 | I | 91.4 | Very high | 86.4 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.5 | -51.2 | 176.7 | -74.3 | 164.3 | 0 | 0 | 0 | 110.3 | L205 Q211 E212 T213 L230 C233 L234 L237 L259 | L205-I209 WeakPolarHBondContact O-CB 3.27Å; L205-I209 WeakPolarHBondContact O-CD1 3.24Å; L205-I209 VanDerWaalsContact O-CG1 3.25Å; L205-I209 WeakPolarHBondContact O-CG1 3.46Å; L205-I209 PolarHBondContact O-N 3.07Å; I209-Q211 VanDerWaalsContact C-N 3.27Å; I209-Q211 PolarHBondContact O-N 3.31Å; I209-E212 PolarHBondContact O-N 2.88Å; I209-T213 WeakPolarHBondContact O-CB 3.45Å; I209-T213 PolarHBondContact O-N 3Å; I209-T213 PolarHBondContact O-OG1 2.97Å; I209-L230 HydrophobicContact CB-CD1 4.34Å; I209-L230 HydrophobicContact CG1-CD1 4.34Å; I209-L230 HydrophobicContact CG2-CD1 3.78Å; I209-C233 HydrophobicContact CD1-CB 4.38Å; I209-C233 HydrophobicContact CG1-CB 3.84Å; I209-L234 HydrophobicContact CD1-CD2 3.84Å; I209-L234 HydrophobicContact CD1-CG 4.44Å; I209-L234 HydrophobicContact CG1-CD2 4.44Å; I209-L234 HydrophobicContact CG2-CD2 4.46Å; I209-L237 HydrophobicContact CD1-CB 4.36Å; I209-L237 HydrophobicContact CD1-CD2 3.72Å; I209-L259 HydrophobicContact CG2-CD1 3.85Å |
| 210 | R | 91.8 | Very high | 84.8 | Confident | 81 Ų | 81 | 55.9 Ų | 55.9 | 31% | 0.306 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.3 | -30.6 | 178.2 | -72.4 | 179 | 177.9 | 129.3 | -4.3 | 113 | C206 S207 V208 R214 E258 | C206-R210 WeakPolarHBondContact O-CB 3.45Å; C206-R210 VanDerWaalsContact O-CG 3.31Å; C206-R210 WeakPolarHBondContact O-CG 3.41Å; C206-R210 PolarHBondContact O-N 3.02Å; S207-R210 PolarHBondContact O-N 3.1Å; V208-R210 PolarHBondContact O-N 3.07Å; R210-R214 WeakPolarHBondContact O-CB 3.29Å; R210-R214 VanDerWaalsContact O-CG 3.31Å; R210-R214 WeakPolarHBondContact O-CG 3.46Å; R210-R214 PolarHBondContact O-N 3.41Å; R210-R214 VanDerWaalsContact O-N 3.08Å; R210-R214 PolarHBondContact O-NE 2.87Å; R210-R214 VanDerWaalsContact O-NE 3.1Å; R210-E258 IonicContact CZ-OE1 2.63Å; R210-E258 IonicContact CZ-OE2 3.99Å; R210-E258 IonicContact NE-OE1 3.82Å; R210-E258 PolarHBondContact NE-OE1 2.77Å; R210-E258 IonicContact NE-OE2 3.6Å; R210-E258 PolarHBondContact NE-OE2 3.49Å; R210-E258 IonicContact NH2-OE1 3.61Å; R210-E258 PolarHBondContact NH2-OE1 3.4Å; R210-E258 IonicContact NH2-OE2 2.86Å |
| 211 | Q | 89.6 | Confident | 82.9 | Confident | 100 Ų | 100 | 61.5 Ų | 61.5 | 47% | 0.467 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.3 | -51.1 | 173.8 | 178.5 | -179.9 | -5.1 | 0 | 0 | 110.9 | S207 V208 I209 T213 R214 Q215 | S207-Q211 VanDerWaalsContact O-CB 3.27Å; S207-Q211 WeakPolarHBondContact O-CB 3.3Å; S207-Q211 PolarHBondContact O-N 2.87Å; V208-Q211 WeakPolarHBondContact O-CB 3.4Å; V208-Q211 PolarHBondContact O-N 3.09Å; I209-Q211 VanDerWaalsContact C-N 3.27Å; I209-Q211 PolarHBondContact O-N 3.31Å; Q211-T213 VanDerWaalsContact C-N 3.3Å; Q211-T213 PolarHBondContact O-N 3.05Å; Q211-R214 PolarHBondContact O-N 2.84Å; Q211-Q215 VanDerWaalsContact O-CG 3.29Å; Q211-Q215 WeakPolarHBondContact O-CG 3.45Å; Q211-Q215 PolarHBondContact O-N 2.93Å |
| 212 | E | 87 | Confident | 81.2 | Confident | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.037 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.5 | -37.7 | 178.3 | -69.6 | -66.4 | 160.3 | 0 | 0 | 111.6 | V208 I209 Q215 L216 H226 R229 L230 | V208-E212 HydrophobicContact CG1-CG 4.48Å; V208-E212 WeakPolarHBondContact O-CG 3.38Å; V208-E212 PolarHBondContact O-N 2.86Å; I209-E212 PolarHBondContact O-N 2.88Å; E212-Q215 PolarHBondContact O-N 3.42Å; E212-L216 WeakPolarHBondContact O-CB 3.44Å; E212-L216 WeakPolarHBondContact O-CG 3.34Å; E212-L216 PolarHBondContact O-N 3.32Å; E212-H226 IonicContact OE2-CE1 3.15Å; E212-H226 IonicContact OE2-CG 2.85Å; E212-H226 IonicContact OE2-ND1 2.63Å; E212-H226 PolarHBondContact OE2-ND1 3.18Å; E212-R229 IonicContact OE1-NH1 3.54Å; E212-L230 HydrophobicContact CB-CB 4.46Å |
| 213 | T | 85.6 | Confident | 79.5 | Confident | 20 Ų | 20 | 73.3 Ų | 73.3 | 12% | 0.123 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 173.4 | -57.1 | 0 | 0 | 0 | 0 | 112 | I209 Q211 Q215 L216 I217 L259 F262 | I209-T213 WeakPolarHBondContact O-CB 3.45Å; I209-T213 PolarHBondContact O-N 3Å; I209-T213 PolarHBondContact O-OG1 2.97Å; Q211-T213 VanDerWaalsContact C-N 3.3Å; Q211-T213 PolarHBondContact O-N 3.05Å; T213-Q215 VanDerWaalsContact C-N 3.34Å; T213-Q215 PolarHBondContact O-N 2.97Å; T213-L216 PolarHBondContact O-N 2.92Å; T213-I217 HydrophobicContact CG2-CD1 3.92Å; T213-I217 VanDerWaalsContact O-CG1 3.3Å; T213-I217 WeakPolarHBondContact O-CG1 3.25Å; T213-I217 PolarHBondContact O-N 3.19Å; T213-L259 HydrophobicContact CG2-CD2 3.81Å; T213-L259 VanDerWaalsContact OG1-CD2 3.29Å; T213-L259 WeakPolarHBondContact OG1-CD2 3.4Å; T213-F262 HydrophobicContact CG2-CD2 4.36Å; T213-F262 HydrophobicContact CG2-CE2 4.17Å |
| 214 | R | 85.6 | Confident | 78.3 | Confident | 167 Ų | 167 | 73.9 Ų | 73.9 | 63% | 0.63 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.9 | -40.4 | 176.2 | -78.1 | 179.6 | -75.1 | 171.7 | -4.1 | 112.1 | R210 Q211 I217 S218 | R210-R214 WeakPolarHBondContact O-CB 3.29Å; R210-R214 VanDerWaalsContact O-CG 3.31Å; R210-R214 WeakPolarHBondContact O-CG 3.46Å; R210-R214 PolarHBondContact O-N 3.41Å; R210-R214 VanDerWaalsContact O-N 3.08Å; R210-R214 PolarHBondContact O-NE 2.87Å; R210-R214 VanDerWaalsContact O-NE 3.1Å; Q211-R214 PolarHBondContact O-N 2.84Å; R214-I217 PolarHBondContact O-N 2.95Å; R214-S218 WeakPolarHBondContact O-CB 3.38Å; R214-S218 PolarHBondContact O-N 3.02Å; R214-S218 PolarHBondContact O-OG 3.43Å |
| 215 | Q | 82.4 | Confident | 77.7 | Confident | 88 Ų | 88 | 74.2 Ų | 74.2 | 41% | 0.411 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 175.4 | -70.9 | -72.6 | -19.9 | 0 | 0 | 110.7 | Q211 E212 T213 I217 S218 S219 | Q211-Q215 VanDerWaalsContact O-CG 3.29Å; Q211-Q215 WeakPolarHBondContact O-CG 3.45Å; Q211-Q215 PolarHBondContact O-N 2.93Å; E212-Q215 PolarHBondContact O-N 3.42Å; T213-Q215 VanDerWaalsContact C-N 3.34Å; T213-Q215 PolarHBondContact O-N 2.97Å; Q215-I217 PolarHBondContact O-N 3.04Å; Q215-S218 WeakPolarHBondContact CA-OG 3.31Å; Q215-S218 PolarHBondContact O-N 3.38Å; Q215-S218 PolarHBondContact O-OG 3.46Å; Q215-S219 WeakPolarHBondContact O-CB 3.31Å; Q215-S219 PolarHBondContact O-N 3.28Å; Q215-S219 PolarHBondContact O-OG 2.83Å; Q215-S219 VanDerWaalsContact O-OG 3.05Å |
| 216 | L | 79.7 | Confident | 77.1 | Confident | 19 Ų | 19 | 75.8 Ų | 75.8 | 10% | 0.099 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.9 | -38.1 | 177.3 | -77.8 | 166 | 0 | 0 | 0 | 113.5 | E212 T213 H226 L230 F262 | E212-L216 WeakPolarHBondContact O-CB 3.44Å; E212-L216 WeakPolarHBondContact O-CG 3.34Å; E212-L216 PolarHBondContact O-N 3.32Å; T213-L216 PolarHBondContact O-N 2.92Å; L216-H226 HydrophobicContact CD1-CB 4.2Å; L216-H226 HydrophobicContact CD2-CB 3.53Å; L216-H226 HydrophobicContact CG-CB 3.7Å; L216-L230 HydrophobicContact CD1-CB 4.5Å; L216-L230 HydrophobicContact CD1-CD2 3.92Å; L216-F262 HydrophobicContact CB-CZ 4.14Å; L216-F262 HydrophobicContact CD1-CZ 3.83Å |
| 217 | I | 75.7 | Confident | 76.6 | Confident | 124 Ų | 124 | 76.3 Ų | 76.3 | 64% | 0.636 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -68.8 | -39.8 | 175.8 | -67.4 | 165.7 | 0 | 0 | 0 | 110.6 | T213 R214 Q215 | T213-I217 HydrophobicContact CG2-CD1 3.92Å; T213-I217 VanDerWaalsContact O-CG1 3.3Å; T213-I217 WeakPolarHBondContact O-CG1 3.25Å; T213-I217 PolarHBondContact O-N 3.19Å; R214-I217 PolarHBondContact O-N 2.95Å; Q215-I217 PolarHBondContact O-N 3.04Å |
| 218 | S | 71.2 | Confident | 76.2 | Confident | 85 Ų | 85 | 76.7 Ų | 76.7 | 59% | 0.594 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -72.1 | -35 | 179.1 | 70.4 | 0 | 0 | 0 | 0 | 113 | R214 Q215 L220 | R214-S218 WeakPolarHBondContact O-CB 3.38Å; R214-S218 PolarHBondContact O-N 3.02Å; R214-S218 PolarHBondContact O-OG 3.43Å; Q215-S218 WeakPolarHBondContact CA-OG 3.31Å; Q215-S218 PolarHBondContact O-N 3.38Å; Q215-S218 PolarHBondContact O-OG 3.46Å; S218-L220 PolarHBondContact O-N 3.45Å |
| 219 | S | 61 | Low | 76 | Confident | 34 Ų | 34 | 78.7 Ų | 78.7 | 24% | 0.238 | 40% | 0.396 | C | S | . | . | trans | -86.9 | 93.9 | 174.7 | 68.2 | 0 | 0 | 0 | 0 | 109.1 | Q215 H221 | Q215-S219 WeakPolarHBondContact O-CB 3.31Å; Q215-S219 PolarHBondContact O-N 3.28Å; Q215-S219 PolarHBondContact O-OG 2.83Å; Q215-S219 VanDerWaalsContact O-OG 3.05Å; S219-H221 CarbonylContact O-C 3.25Å; S219-H221 PolarHBondContact O-N 2.92Å; S219-H221 PolarHBondContact OG-O 3.34Å | ||
| 220 | L | 54 | Low | 75.9 | Confident | 168 Ų | 168 | 78.6 Ų | 78.6 | 88% | 0.88 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -51.8 | -15.8 | 169 | -85 | 153.2 | 0 | 0 | 0 | 113.5 | S218 | S218-L220 PolarHBondContact O-N 3.45Š|
| 221 | H | 48.1 | Very low | 75.7 | Confident | 154 Ų | 154 | 76.4 Ų | 76.4 | 71% | 0.713 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -97.1 | 111 | 172.6 | -66 | 72.1 | 0 | 0 | 0 | 110 | S219 K223 | S219-H221 CarbonylContact O-C 3.25Å; S219-H221 PolarHBondContact O-N 2.92Å; S219-H221 PolarHBondContact OG-O 3.34Å; H221-K223 PolarHBondContact O-N 3.37Å |
| 222 | T | 54 | Low | 75.8 | Confident | 115 Ų | 115 | 74.2 Ų | 74.2 | 71% | 0.706 | 38% | 0.38 | S | S | * | . | trans | -61.1 | 79.8 | 171.3 | 53.1 | 0 | 0 | 0 | 0 | 110.6 | D224 | T222-D224 PolarHBondContact O-N 3.02Š| ||
| 223 | K | 58 | Low | 76 | Confident | 140 Ų | 140 | 73.9 Ų | 73.9 | 61% | 0.609 | 38% | 0.378 | S | S | * | . | trans | -64.6 | 110.8 | 162.7 | -69.1 | -178.7 | -179 | 176.6 | 0 | 106 | H221 V225 H226 | H221-K223 PolarHBondContact O-N 3.37Å; K223-V225 PolarHBondContact O-N 3.08Å; K223-H226 PolarHBondContact O-N 3.23Å | ||
| 224 | D | 67.5 | Low | 76.4 | Confident | 127 Ų | 127 | 73 Ų | 73 | 68% | 0.679 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -48 | -25.7 | 179.4 | -78.8 | -28.6 | 0 | 0 | 0 | 112.9 | T222 T228 | T222-D224 PolarHBondContact O-N 3.02Å; D224-T228 WeakPolarHBondContact O-CB 3.49Å; D224-T228 VanDerWaalsContact O-CG2 3.24Å; D224-T228 WeakPolarHBondContact O-CG2 3.27Å; D224-T228 PolarHBondContact O-N 3.47Å; D224-T228 PolarHBondContact O-OG1 3.37Å |
| 225 | V | 78.4 | Confident | 76.7 | Confident | 60 Ų | 60 | 68.1 Ų | 68.1 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.9 | -49.9 | 175.9 | -173.7 | 0 | 0 | 0 | 0 | 112.8 | E164 K223 T228 R229 | E164-V225 HydrophobicContact CG-CG1 4.44Å; E164-V225 WeakPolarHBondContact OE1-CG1 3.48Å; K223-V225 PolarHBondContact O-N 3.08Å; V225-T228 WeakPolarHBondContact CA-OG1 3.4Å; V225-T228 PolarHBondContact O-N 2.9Å; V225-T228 PolarHBondContact O-OG1 3.24Å; V225-R229 VanDerWaalsContact O-CG 3.3Å; V225-R229 WeakPolarHBondContact O-CG 3.37Å; V225-R229 PolarHBondContact O-N 2.88Å |
| 226 | H | 81.4 | Confident | 77.2 | Confident | 34 Ų | 34 | 64 Ų | 64 | 16% | 0.157 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.8 | -40 | -177.6 | -70.4 | -68.2 | 0 | 0 | 0 | 111.4 | E212 L216 K223 T228 R229 L230 | E212-H226 IonicContact OE2-CE1 3.15Å; E212-H226 IonicContact OE2-CG 2.85Å; E212-H226 IonicContact OE2-ND1 2.63Å; E212-H226 PolarHBondContact OE2-ND1 3.18Å; L216-H226 HydrophobicContact CD1-CB 4.2Å; L216-H226 HydrophobicContact CD2-CB 3.53Å; L216-H226 HydrophobicContact CG-CB 3.7Å; K223-H226 PolarHBondContact O-N 3.23Å; H226-T228 PolarHBondContact O-N 3.34Å; H226-R229 PolarHBondContact O-N 2.91Å; H226-L230 WeakPolarHBondContact O-CB 3.39Å; H226-L230 PolarHBondContact O-N 2.95Å |
| 227 | C | 82.2 | Confident | 77.9 | Confident | 13 Ų | 13 | 63.1 Ų | 63.1 | 9% | 0.088 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 177.1 | -168.5 | 0 | 0 | 0 | 0 | 111.8 | L230 L231 N264 | C227-L230 PolarHBondContact O-N 2.93Å; C227-L231 WeakPolarHBondContact O-CG 3.37Å; C227-L231 PolarHBondContact O-N 3.36Å; C227-N264 PolarHBondContact SG-ND2 2.94Å |
| 228 | T | 84.1 | Confident | 78.7 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 39% | 0.393 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 176.3 | 52.5 | 0 | 0 | 0 | 0 | 111.9 | D224 V225 H226 L231 H232 | D224-T228 WeakPolarHBondContact O-CB 3.49Å; D224-T228 VanDerWaalsContact O-CG2 3.24Å; D224-T228 WeakPolarHBondContact O-CG2 3.27Å; D224-T228 PolarHBondContact O-N 3.47Å; D224-T228 PolarHBondContact O-OG1 3.37Å; V225-T228 WeakPolarHBondContact CA-OG1 3.4Å; V225-T228 PolarHBondContact O-N 2.9Å; V225-T228 PolarHBondContact O-OG1 3.24Å; H226-T228 PolarHBondContact O-N 3.34Å; T228-L231 PolarHBondContact O-N 3.1Å; T228-H232 PolarHBondContact O-CE1 3Å; T228-H232 VanDerWaalsContact O-CG 3.23Å; T228-H232 PolarHBondContact O-N 3.29Å; T228-H232 PolarHBondContact O-ND1 2.88Å |
| 229 | R | 87.2 | Confident | 79.5 | Confident | 50 Ų | 50 | 56.1 Ų | 56.1 | 19% | 0.189 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 172.9 | -72.1 | 178.2 | -166.7 | 178.7 | 2.4 | 112 | E164 E212 V225 H226 L231 H232 C233 | E164-R229 IonicContact OE1-CZ 3.68Å; E164-R229 IonicContact OE1-NE 3.78Å; E164-R229 IonicContact OE1-NH2 3.68Å; E164-R229 PolarHBondContact OE1-NH2 2.86Å; E212-R229 IonicContact OE1-NH1 3.54Å; V225-R229 VanDerWaalsContact O-CG 3.3Å; V225-R229 WeakPolarHBondContact O-CG 3.37Å; V225-R229 PolarHBondContact O-N 2.88Å; H226-R229 PolarHBondContact O-N 2.91Å; R229-L231 PolarHBondContact O-N 2.89Å; R229-H232 PolarHBondContact O-N 3.18Å; R229-C233 PolarHBondContact O-N 2.76Å; R229-C233 PolarHBondContact O-SG 3.02Å |
| 230 | L | 89.9 | Confident | 80.9 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.6 | -50.5 | 174.8 | 175.6 | 62 | 0 | 0 | 0 | 111.1 | I209 E212 L216 H226 C227 H232 C233 L234 L259 F262 V267 | I209-L230 HydrophobicContact CB-CD1 4.34Å; I209-L230 HydrophobicContact CG1-CD1 4.34Å; I209-L230 HydrophobicContact CG2-CD1 3.78Å; E212-L230 HydrophobicContact CB-CB 4.46Å; L216-L230 HydrophobicContact CD1-CB 4.5Å; L216-L230 HydrophobicContact CD1-CD2 3.92Å; H226-L230 WeakPolarHBondContact O-CB 3.39Å; H226-L230 PolarHBondContact O-N 2.95Å; C227-L230 PolarHBondContact O-N 2.93Å; L230-H232 VanDerWaalsContact C-N 3.33Å; L230-H232 PolarHBondContact O-N 2.78Å; L230-C233 PolarHBondContact O-N 3.21Å; L230-L234 HydrophobicContact CD1-CD1 4.19Å; L230-L234 HydrophobicContact CD1-CG 4.29Å; L230-L234 HydrophobicContact CG-CD1 4.1Å; L230-L234 WeakPolarHBondContact O-CG 3.34Å; L230-L234 PolarHBondContact O-N 3.43Å; L230-L259 HydrophobicContact CD1-CD1 4.18Å; L230-F262 HydrophobicContact CD2-CZ 4.41Å; L230-V267 HydrophobicContact CD2-CG1 4.15Å; L230-V267 HydrophobicContact CD2-CG2 4.08Å |
| 231 | L | 88 | Confident | 82.5 | Confident | 35 Ų | 35 | 46.6 Ų | 46.6 | 18% | 0.183 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.9 | -43.1 | 177.8 | -72.6 | 172 | 0 | 0 | 0 | 112.4 | C227 T228 R229 L234 D235 L266 V267 K270 | C227-L231 WeakPolarHBondContact O-CG 3.37Å; C227-L231 PolarHBondContact O-N 3.36Å; T228-L231 PolarHBondContact O-N 3.1Å; R229-L231 PolarHBondContact O-N 2.89Å; L231-L234 PolarHBondContact O-N 3.34Å; L231-D235 PolarHBondContact O-N 3.11Å; L231-L266 HydrophobicContact CD1-CB 4.42Å; L231-V267 HydrophobicContact CD2-CB 4.41Å; L231-V267 HydrophobicContact CD2-CG2 3.9Å; L231-V267 HydrophobicContact CG-CG2 4.32Å; L231-K270 HydrophobicContact CD2-CB 4.14Å |
| 232 | H | 91.2 | Very high | 84.3 | Confident | 54 Ų | 54 | 40.6 Ų | 40.6 | 25% | 0.25 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.6 | -37.3 | 177.5 | -61.5 | 130.1 | 0 | 0 | 0 | 113 | R169 H173 T228 R229 L230 L234 D235 L236 | R169-H232 VanDerWaalsContact CZ-CE1 3.46Å; R169-H232 PolarHBondContact NE-ND1 3.08Å; R169-H232 PolarHBondContact NH2-CE1 3.43Å; R169-H232 PolarHBondContact NH2-ND1 2.7Å; R169-H232 PolarHBondContact NH2-NE2 3.38Å; H173-H232 PolarHBondContact CE1-O 3.37Å; H173-H232 VanDerWaalsContact CE1-O 3.29Å; T228-H232 PolarHBondContact O-CE1 3Å; T228-H232 VanDerWaalsContact O-CG 3.23Å; T228-H232 PolarHBondContact O-N 3.29Å; T228-H232 PolarHBondContact O-ND1 2.88Å; R229-H232 PolarHBondContact O-N 3.18Å; L230-H232 VanDerWaalsContact C-N 3.33Å; L230-H232 PolarHBondContact O-N 2.78Å; H232-L234 VanDerWaalsContact C-N 3.32Å; H232-D235 WeakPolarHBondContact O-CB 3.4Å; H232-D235 PolarHBondContact O-N 2.97Å; H232-L236 PolarHBondContact O-N 3.09Å; H232-L236 VanDerWaalsContact O-N 3.1Å |
| 233 | C | 91.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.4 | -37.6 | 175.8 | -64.2 | 0 | 0 | 0 | 0 | 110.9 | I209 R229 L230 L236 L237 | I209-C233 HydrophobicContact CD1-CB 4.38Å; I209-C233 HydrophobicContact CG1-CB 3.84Å; R229-C233 PolarHBondContact O-N 2.76Å; R229-C233 PolarHBondContact O-SG 3.02Å; L230-C233 PolarHBondContact O-N 3.21Å; C233-L236 PolarHBondContact O-N 3.06Å; C233-L237 WeakPolarHBondContact O-CB 3.39Å; C233-L237 PolarHBondContact O-N 2.95Å |
| 234 | L | 93 | Very high | 87.3 | Confident | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.1 | -38.7 | 172 | -70 | 170.9 | 0 | 0 | 0 | 112.4 | I209 L230 L231 H232 L236 L237 T238 V256 L259 V267 K270 | I209-L234 HydrophobicContact CD1-CD2 3.84Å; I209-L234 HydrophobicContact CD1-CG 4.44Å; I209-L234 HydrophobicContact CG1-CD2 4.44Å; I209-L234 HydrophobicContact CG2-CD2 4.46Å; L230-L234 HydrophobicContact CD1-CD1 4.19Å; L230-L234 HydrophobicContact CD1-CG 4.29Å; L230-L234 HydrophobicContact CG-CD1 4.1Å; L230-L234 WeakPolarHBondContact O-CG 3.34Å; L230-L234 PolarHBondContact O-N 3.43Å; L231-L234 PolarHBondContact O-N 3.34Å; H232-L234 VanDerWaalsContact C-N 3.32Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L234-L237 PolarHBondContact O-N 3.01Å; L234-T238 VanDerWaalsContact O-CB 3.23Å; L234-T238 WeakPolarHBondContact O-CB 3.25Å; L234-T238 PolarHBondContact O-N 3.48Å; L234-T238 PolarHBondContact O-OG1 3.35Å; L234-V256 HydrophobicContact CD2-CG2 4.34Å; L234-L259 HydrophobicContact CD1-CD1 3.77Å; L234-L259 HydrophobicContact CD2-CD1 3.61Å; L234-L259 HydrophobicContact CG-CD1 4.18Å; L234-V267 HydrophobicContact CD1-CG1 3.95Å; L234-K270 HydrophobicContact CB-CG 4.14Å |
| 235 | D | 92.2 | Very high | 88.2 | Confident | 63 Ų | 63 | 25.5 Ų | 25.5 | 34% | 0.337 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -58.1 | -46.6 | 173.1 | -77.5 | -29.2 | 0 | 0 | 0 | 111.4 | L231 H232 T238 S239 K270 | L231-D235 PolarHBondContact O-N 3.11Å; H232-D235 WeakPolarHBondContact O-CB 3.4Å; H232-D235 PolarHBondContact O-N 2.97Å; D235-T238 WeakPolarHBondContact O-CB 3.06Å; D235-T238 PolarHBondContact O-N 2.72Å; D235-S239 PolarHBondContact O-N 3.11Å; D235-S239 VanDerWaalsContact O-N 3.09Å; D235-K270 VanDerWaalsContact OD1-CD 3.25Å; D235-K270 WeakPolarHBondContact OD1-CD 3.21Å; D235-K270 WeakPolarHBondContact OD1-CE 3.3Å; D235-K270 IonicContact OD1-NZ 2.79Å; D235-K270 PolarHBondContact OD1-NZ 2.89Å |
| 236 | L | 94.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.3 | -49.1 | 177.7 | -179.6 | 59.4 | 0 | 0 | 0 | 111.3 | V161 H173 I176 V177 L205 H232 C233 L234 T238 S239 I240 | V161-L236 HydrophobicContact CG1-CD2 3.87Å; V161-L236 HydrophobicContact CG2-CD2 4.09Å; H173-L236 HydrophobicContact CB-CD1 3.81Å; H173-L236 VanDerWaalsContact CD2-CD2 3.49Å; H173-L236 WeakPolarHBondContact CD2-CD2 3.27Å; I176-L236 HydrophobicContact CD1-CD2 3.99Å; V177-L236 HydrophobicContact CG2-CD1 3.97Å; L205-L236 HydrophobicContact CD1-CD2 4.23Å; L205-L236 HydrophobicContact CD1-CG 4.2Å; L205-L236 HydrophobicContact CD2-CD2 3.72Å; L205-L236 HydrophobicContact CD2-CG 4.3Å; H232-L236 PolarHBondContact O-N 3.09Å; H232-L236 VanDerWaalsContact O-N 3.1Å; C233-L236 PolarHBondContact O-N 3.06Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L236-T238 VanDerWaalsContact C-N 3.28Å; L236-T238 PolarHBondContact O-N 2.61Å; L236-S239 PolarHBondContact O-N 2.97Å; L236-S239 VanDerWaalsContact O-N 3.08Å; L236-S239 PolarHBondContact O-OG 2.88Å; L236-I240 HydrophobicContact CD1-CD1 3.53Å; L236-I240 HydrophobicContact CD1-CG1 4.06Å; L236-I240 HydrophobicContact CD2-CD1 4.31Å; L236-I240 HydrophobicContact CG-CD1 3.63Å; L236-I240 HydrophobicContact CG-CG1 4.48Å; L236-I240 WeakPolarHBondContact O-CG1 3.43Å; L236-I240 PolarHBondContact O-N 3.11Å; L236-I240 VanDerWaalsContact O-N 3.09Å |
| 237 | L | 93.7 | Very high | 88.9 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.4 | -48.1 | 177.6 | -176.2 | 61.8 | 0 | 0 | 0 | 110.3 | L205 I209 C233 L234 S239 I240 M241 A252 V256 | L205-L237 HydrophobicContact CB-CD1 4.43Å; L205-L237 HydrophobicContact CD1-CB 4.46Å; L205-L237 HydrophobicContact CD1-CD1 4.18Å; I209-L237 HydrophobicContact CD1-CB 4.36Å; I209-L237 HydrophobicContact CD1-CD2 3.72Å; C233-L237 WeakPolarHBondContact O-CB 3.39Å; C233-L237 PolarHBondContact O-N 2.95Å; L234-L237 PolarHBondContact O-N 3.01Å; L237-S239 VanDerWaalsContact C-N 3.27Å; L237-S239 PolarHBondContact O-N 2.87Å; L237-I240 PolarHBondContact O-N 3.01Å; L237-M241 HydrophobicContact CD1-CG 4.25Å; L237-M241 HydrophobicContact CG-CG 4.2Å; L237-M241 HydrophobicContact CG-SD 4.03Å; L237-M241 WeakPolarHBondContact O-CG 3.33Å; L237-M241 PolarHBondContact O-N 3.09Å; L237-A252 HydrophobicContact CD1-CB 4.07Å; L237-V256 HydrophobicContact CD2-CG2 3.7Å |
| 238 | T | 92 | Very high | 89.2 | Confident | 9 Ų | 9 | 30.3 Ų | 30.3 | 6% | 0.055 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -53 | -42.9 | 176.5 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | L234 D235 L236 S274 T277 | L234-T238 VanDerWaalsContact O-CB 3.23Å; L234-T238 WeakPolarHBondContact O-CB 3.25Å; L234-T238 PolarHBondContact O-N 3.48Å; L234-T238 PolarHBondContact O-OG1 3.35Å; D235-T238 WeakPolarHBondContact O-CB 3.06Å; D235-T238 PolarHBondContact O-N 2.72Å; L236-T238 VanDerWaalsContact C-N 3.28Å; L236-T238 PolarHBondContact O-N 2.61Å; T238-S274 WeakPolarHBondContact OG1-CB 3.41Å; T238-T277 HydrophobicContact CG2-CG2 4.18Å; T238-T277 WeakPolarHBondContact CG2-OG1 2.87Å |
| 239 | S | 89.4 | Confident | 89.5 | Confident | 53 Ų | 53 | 27.3 Ų | 27.3 | 37% | 0.371 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -72.8 | -27.9 | -179.6 | 69.1 | 0 | 0 | 0 | 0 | 114.1 | V177 D235 L236 L237 | V177-S239 WeakPolarHBondContact CG2-OG 3.46Å; D235-S239 PolarHBondContact O-N 3.11Å; D235-S239 VanDerWaalsContact O-N 3.09Å; L236-S239 PolarHBondContact O-N 2.97Å; L236-S239 VanDerWaalsContact O-N 3.08Å; L236-S239 PolarHBondContact O-OG 2.88Å; L237-S239 VanDerWaalsContact C-N 3.27Å; L237-S239 PolarHBondContact O-N 2.87Å |
| 240 | I | 89.4 | Confident | 89.6 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -89.1 | -29 | -176.7 | -66.8 | 169.3 | 0 | 0 | 0 | 111.7 | I176 V177 L180 T201 L205 L236 L237 P242 L243 L244 | I176-I240 HydrophobicContact CG2-CD1 3.5Å; I176-I240 VanDerWaalsContact CG2-CD1 3.5Å; I176-I240 HydrophobicContact CG2-CG1 4.44Å; V177-I240 HydrophobicContact CG2-CG1 4.06Å; L180-I240 HydrophobicContact CD1-CB 4.4Å; L180-I240 HydrophobicContact CD1-CD1 4.09Å; L180-I240 HydrophobicContact CD1-CG1 4.13Å; L180-I240 HydrophobicContact CD1-CG2 3.4Å; T201-I240 HydrophobicContact CG2-CD1 3.98Å; L205-I240 HydrophobicContact CD1-CD1 3.93Å; L236-I240 HydrophobicContact CD1-CD1 3.53Å; L236-I240 HydrophobicContact CD1-CG1 4.06Å; L236-I240 HydrophobicContact CD2-CD1 4.31Å; L236-I240 HydrophobicContact CG-CD1 3.63Å; L236-I240 HydrophobicContact CG-CG1 4.48Å; L236-I240 WeakPolarHBondContact O-CG1 3.43Å; L236-I240 PolarHBondContact O-N 3.11Å; L236-I240 VanDerWaalsContact O-N 3.09Å; L237-I240 PolarHBondContact O-N 3.01Å; I240-P242 VanDerWaalsContact C-CD 3.43Å; I240-P242 VanDerWaalsContact C-N 3.33Å; I240-P242 VanDerWaalsContact O-N 3.15Å; I240-L243 WeakPolarHBondContact O-CA 3.15Å; I240-L243 VanDerWaalsContact O-CB 3.3Å; I240-L243 WeakPolarHBondContact O-CB 3.23Å; I240-L243 PolarHBondContact O-N 3.46Å; I240-L244 HydrophobicContact CG2-CD1 4.36Å; I240-L244 HydrophobicContact CG2-CD2 3.73Å; I240-L244 HydrophobicContact CG2-CG 3.94Å |
| 241 | M | 88.3 | Confident | 89.6 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -49.1 | -41.7 | -174.6 | -79.6 | 168.7 | 85.4 | 0 | 0 | 115.3 | L237 L243 L244 A252 F253 M278 | L237-M241 HydrophobicContact CD1-CG 4.25Å; L237-M241 HydrophobicContact CG-CG 4.2Å; L237-M241 HydrophobicContact CG-SD 4.03Å; L237-M241 WeakPolarHBondContact O-CG 3.33Å; L237-M241 PolarHBondContact O-N 3.09Å; M241-L243 PolarHBondContact O-N 2.65Å; M241-L243 VanDerWaalsContact O-N 3.11Å; M241-L244 HydrophobicContact CG-CD1 4.4Å; M241-L244 PolarHBondContact O-N 2.85Å; M241-A252 HydrophobicContact CE-CB 4.05Å; M241-A252 HydrophobicContact CG-CB 4.21Å; M241-A252 HydrophobicContact SD-CB 4.48Å; M241-F253 HydrophobicContact CE-CD1 3.66Å; M241-F253 HydrophobicContact CE-CD2 3.56Å; M241-F253 HydrophobicContact CE-CE1 3.33Å; M241-F253 HydrophobicContact CE-CE2 3.16Å; M241-F253 HydrophobicContact CE-CG 3.78Å; M241-F253 HydrophobicContact CE-CZ 3.06Å; M241-M278 HydrophobicContact CE-SD 4.5Å |
| 242 | P | 86.1 | Confident | 89.8 | Confident | 28 Ų | 28 | 30.2 Ų | 30.2 | 18% | 0.182 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -63.4 | -13.4 | 175.6 | -24.7 | 36.5 | 0 | 0 | 0 | 115.5 | I240 S281 | I240-P242 VanDerWaalsContact C-CD 3.43Å; I240-P242 VanDerWaalsContact C-N 3.33Å; I240-P242 VanDerWaalsContact O-N 3.15Å; P242-S281 WeakPolarHBondContact CB-OG 3.49Å; P242-S281 WeakPolarHBondContact CG-OG 3.25Å |
| 243 | L | 86.4 | Confident | 89.7 | Confident | 34 Ų | 34 | 27.8 Ų | 27.8 | 18% | 0.178 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -100.5 | -6.6 | -177.8 | -50.2 | 174.1 | 0 | 0 | 0 | 112.7 | L180 N184 I240 M241 | L180-L243 HydrophobicContact CB-CD1 3.98Å; N184-L243 WeakPolarHBondContact ND2-CD2 3.28Å; I240-L243 WeakPolarHBondContact O-CA 3.15Å; I240-L243 VanDerWaalsContact O-CB 3.3Å; I240-L243 WeakPolarHBondContact O-CB 3.23Å; I240-L243 PolarHBondContact O-N 3.46Å; M241-L243 PolarHBondContact O-N 2.65Å; M241-L243 VanDerWaalsContact O-N 3.11Å |
| 244 | L | 87.7 | Confident | 89.7 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -86.8 | 151.9 | -173.7 | -64.8 | 179.4 | 0 | 0 | 0 | 112.1 | C198 Q202 I240 M241 D248 V249 A252 T287 | C198-L244 HydrophobicContact CB-CD2 3.65Å; Q202-L244 HydrophobicContact CB-CD1 4.09Å; Q202-L244 HydrophobicContact CB-CD2 4.42Å; Q202-L244 HydrophobicContact CG-CD1 4.16Å; I240-L244 HydrophobicContact CG2-CD1 4.36Å; I240-L244 HydrophobicContact CG2-CD2 3.73Å; I240-L244 HydrophobicContact CG2-CG 3.94Å; M241-L244 HydrophobicContact CG-CD1 4.4Å; M241-L244 PolarHBondContact O-N 2.85Å; L244-D248 HydrophobicContact CB-CB 4.24Å; L244-D248 HydrophobicContact CD1-CB 4.43Å; L244-V249 HydrophobicContact CB-CG2 3.72Å; L244-A252 HydrophobicContact CD1-CB 4.49Å; L244-T287 WeakPolarHBondContact O-CG2 3.34Å |
| 245 | P | 87.2 | Confident | 89.6 | Confident | 31 Ų | 31 | 32.6 Ų | 32.6 | 20% | 0.201 | 17% | 0.17 | C | C | . | . | trans | -69.3 | 156.4 | 170 | 31 | -35.4 | 0 | 0 | 0 | 111.2 | F194 K247 D248 V249 | F194-P245 HydrophobicContact CD1-CB 4.31Å; F194-P245 HydrophobicContact CD2-CB 3.99Å; F194-P245 HydrophobicContact CE2-CB 4.24Å; F194-P245 HydrophobicContact CG-CB 4.02Å; P245-K247 VanDerWaalsContact C-N 3.26Å; P245-K247 PolarHBondContact O-N 3.35Å; P245-D248 WeakPolarHBondContact CD-OD2 3.36Å; P245-D248 HydrophobicContact CG-CB 4.06Å; P245-D248 WeakPolarHBondContact CG-OD2 3.27Å; P245-D248 PolarHBondContact O-N 3.24Å; P245-V249 WeakPolarHBondContact O-CG2 3.45Å; P245-V249 PolarHBondContact O-N 2.97Å | ||
| 246 | S | 85.8 | Confident | 89.6 | Confident | 35 Ų | 35 | 29.7 Ų | 29.7 | 25% | 0.245 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56 | -30.8 | -171.8 | 62.3 | 0 | 0 | 0 | 0 | 115.7 | K250 T287 | S246-K250 WeakPolarHBondContact O-CG 3.34Å; S246-K250 PolarHBondContact O-N 3.34Å; S246-T287 WeakPolarHBondContact CA-O 3.32Å; S246-T287 WeakPolarHBondContact CB-O 3.17Å |
| 247 | K | 87.5 | Confident | 89.4 | Confident | 163 Ų | 163 | 31.5 Ų | 31.5 | 71% | 0.709 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -67.2 | -47.3 | 175 | -66.9 | -176.8 | -178.7 | 179 | 0 | 111.5 | P245 V249 K250 L251 | P245-K247 VanDerWaalsContact C-N 3.26Å; P245-K247 PolarHBondContact O-N 3.35Å; K247-V249 VanDerWaalsContact C-N 3.33Å; K247-K250 WeakPolarHBondContact O-CB 3.45Å; K247-K250 PolarHBondContact O-N 3.38Å; K247-L251 PolarHBondContact O-N 3.04Å |
| 248 | D | 89.6 | Confident | 89.1 | Confident | 10 Ų | 10 | 36.6 Ų | 36.6 | 5% | 0.053 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.7 | -32.4 | -179.5 | -62.5 | -21.6 | 0 | 0 | 0 | 111.2 | H199 Q202 L244 P245 K250 L251 A252 | H199-D248 VanDerWaalsContact CA-OD2 3.27Å; H199-D248 WeakPolarHBondContact CA-OD2 3.15Å; H199-D248 IonicContact CE1-OD1 2.63Å; H199-D248 IonicContact CG-OD1 2.76Å; H199-D248 PolarHBondContact N-OD2 3.44Å; H199-D248 IonicContact ND1-OD1 3.06Å; H199-D248 PolarHBondContact ND1-OD1 2.61Å; H199-D248 IonicContact ND1-OD2 2.72Å; Q202-D248 HydrophobicContact CB-CB 4.32Å; Q202-D248 HydrophobicContact CG-CB 4.16Å; L244-D248 HydrophobicContact CB-CB 4.24Å; L244-D248 HydrophobicContact CD1-CB 4.43Å; P245-D248 WeakPolarHBondContact CD-OD2 3.36Å; P245-D248 HydrophobicContact CG-CB 4.06Å; P245-D248 WeakPolarHBondContact CG-OD2 3.27Å; P245-D248 PolarHBondContact O-N 3.24Å; D248-K250 PolarHBondContact O-N 3.17Å; D248-L251 PolarHBondContact O-N 3.34Å; D248-A252 WeakPolarHBondContact O-CB 3.49Å; D248-A252 PolarHBondContact O-N 2.95Å |
| 249 | V | 89.5 | Confident | 88.9 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.6 | -44.3 | 172.3 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | L244 P245 K247 A252 F253 M278 T287 | L244-V249 HydrophobicContact CB-CG2 3.72Å; P245-V249 WeakPolarHBondContact O-CG2 3.45Å; P245-V249 PolarHBondContact O-N 2.97Å; K247-V249 VanDerWaalsContact C-N 3.33Å; V249-A252 PolarHBondContact O-N 3.06Å; V249-F253 HydrophobicContact CG1-CD2 3.81Å; V249-F253 HydrophobicContact CG1-CE2 3.69Å; V249-F253 VanDerWaalsContact O-CD2 3.27Å; V249-F253 WeakPolarHBondContact O-CD2 3.3Å; V249-F253 PolarHBondContact O-N 2.92Å; V249-M278 HydrophobicContact CG1-CE 4.38Å; V249-M278 HydrophobicContact CG1-SD 3.93Å; V249-T287 HydrophobicContact CG2-CG2 4.19Å |
| 250 | K | 89.5 | Confident | 88.7 | Confident | 76 Ų | 76 | 34.2 Ų | 34.2 | 33% | 0.33 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -59.8 | -49.6 | 176.3 | -70.6 | 173.9 | -174.6 | 172.4 | 0 | 111.3 | S246 K247 D248 A252 F253 E254 I292 | S246-K250 WeakPolarHBondContact O-CG 3.34Å; S246-K250 PolarHBondContact O-N 3.34Å; K247-K250 WeakPolarHBondContact O-CB 3.45Å; K247-K250 PolarHBondContact O-N 3.38Å; D248-K250 PolarHBondContact O-N 3.17Å; K250-A252 VanDerWaalsContact C-N 3.29Å; K250-A252 PolarHBondContact O-N 3.24Å; K250-F253 PolarHBondContact O-N 3.14Å; K250-F253 VanDerWaalsContact O-N 3.14Å; K250-E254 WeakPolarHBondContact O-CG 3.43Å; K250-E254 PolarHBondContact O-N 3.01Å; K250-I292 HydrophobicContact CD-CD1 4.36Å; K250-I292 HydrophobicContact CG-CD1 4.37Å; K250-I292 HydrophobicContact CG-CG2 4.29Å |
| 251 | L | 90.4 | Very high | 88.2 | Confident | 71 Ų | 71 | 40.9 Ų | 40.9 | 37% | 0.372 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.2 | -37.2 | 179.6 | -64.9 | 176.5 | 0 | 0 | 0 | 112.2 | K247 D248 C255 | K247-L251 PolarHBondContact O-N 3.04Å; D248-L251 PolarHBondContact O-N 3.34Å; L251-C255 PolarHBondContact O-N 2.87Å; L251-C255 VanDerWaalsContact O-N 3.17Å |
| 252 | A | 91.7 | Very high | 88 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q202 L237 M241 L244 D248 V249 K250 C255 V256 | Q202-A252 HydrophobicContact CG-CB 4.14Å; L237-A252 HydrophobicContact CD1-CB 4.07Å; M241-A252 HydrophobicContact CE-CB 4.05Å; M241-A252 HydrophobicContact CG-CB 4.21Å; M241-A252 HydrophobicContact SD-CB 4.48Å; L244-A252 HydrophobicContact CD1-CB 4.49Å; D248-A252 WeakPolarHBondContact O-CB 3.49Å; D248-A252 PolarHBondContact O-N 2.95Å; V249-A252 PolarHBondContact O-N 3.06Å; K250-A252 VanDerWaalsContact C-N 3.29Å; K250-A252 PolarHBondContact O-N 3.24Å; A252-C255 PolarHBondContact O-N 3.36Å; A252-V256 VanDerWaalsContact O-CG2 3.28Å; A252-V256 WeakPolarHBondContact O-CG2 3.06Å; A252-V256 PolarHBondContact O-N 3.29Å |
| 253 | F | 89.8 | Confident | 87.5 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71 | -33.1 | 176.9 | -82.6 | -64.6 | 0 | 0 | 0 | 114.4 | M241 V249 K250 C255 V256 L257 F275 M278 L296 | M241-F253 HydrophobicContact CE-CD1 3.66Å; M241-F253 HydrophobicContact CE-CD2 3.56Å; M241-F253 HydrophobicContact CE-CE1 3.33Å; M241-F253 HydrophobicContact CE-CE2 3.16Å; M241-F253 HydrophobicContact CE-CG 3.78Å; M241-F253 HydrophobicContact CE-CZ 3.06Å; V249-F253 HydrophobicContact CG1-CD2 3.81Å; V249-F253 HydrophobicContact CG1-CE2 3.69Å; V249-F253 VanDerWaalsContact O-CD2 3.27Å; V249-F253 WeakPolarHBondContact O-CD2 3.3Å; V249-F253 PolarHBondContact O-N 2.92Å; K250-F253 PolarHBondContact O-N 3.14Å; K250-F253 VanDerWaalsContact O-N 3.14Å; F253-C255 VanDerWaalsContact C-N 3.31Å; F253-V256 PolarHBondContact O-N 3.24Å; F253-L257 VanDerWaalsContact O-CB 3.26Å; F253-L257 WeakPolarHBondContact O-CB 3.47Å; F253-L257 VanDerWaalsContact O-CG 3.3Å; F253-L257 WeakPolarHBondContact O-CG 3.44Å; F253-L257 PolarHBondContact O-N 2.83Å; F253-F275 AromaticContact CD1-CD1 3.96Å; F253-F275 HydrophobicContact CD1-CD1 3.96Å; F253-F275 HydrophobicContact CD1-CD2 4.21Å; F253-F275 AromaticContact CD1-CE1 3.4Å; F253-F275 HydrophobicContact CD1-CE1 3.4Å; F253-F275 VanDerWaalsContact CD1-CE1 3.4Å; F253-F275 AromaticContact CD1-CE2 3.68Å; F253-F275 HydrophobicContact CD1-CE2 3.68Å; F253-F275 HydrophobicContact CD1-CG 4.34Å; F253-F275 AromaticContact CD1-CZ 3.23Å; F253-F275 HydrophobicContact CD1-CZ 3.23Å; F253-F275 AromaticContact CE1-CD1 3.45Å; F253-F275 HydrophobicContact CE1-CD1 3.45Å; F253-F275 VanDerWaalsContact CE1-CD1 3.45Å; F253-F275 AromaticContact CE1-CD2 3.89Å; F253-F275 HydrophobicContact CE1-CD2 3.89Å; F253-F275 AromaticContact CE1-CE1 3.42Å; F253-F275 HydrophobicContact CE1-CE1 3.42Å; F253-F275 VanDerWaalsContact CE1-CE1 3.42Å; F253-F275 AromaticContact CE1-CE2 3.84Å; F253-F275 HydrophobicContact CE1-CE2 3.84Å; F253-F275 AromaticContact CE1-CG 3.7Å; F253-F275 HydrophobicContact CE1-CG 3.7Å; F253-F275 AromaticContact CE1-CZ 3.61Å; F253-F275 HydrophobicContact CE1-CZ 3.61Å; F253-F275 HydrophobicContact CG-CE1 4.21Å; F253-F275 HydrophobicContact CG-CZ 4.18Å; F253-F275 HydrophobicContact CZ-CD1 4.13Å; F253-F275 HydrophobicContact CZ-CE1 4.26Å; F253-M278 HydrophobicContact CD2-CE 4.22Å; F253-M278 HydrophobicContact CE1-CE 4.49Å; F253-M278 HydrophobicContact CE2-CE 3.03Å; F253-M278 HydrophobicContact CE2-SD 3.24Å; F253-M278 WeakPolarHBondContact CE2-SD 3.45Å; F253-M278 HydrophobicContact CZ-CB 4.15Å; F253-M278 HydrophobicContact CZ-CE 3.19Å; F253-M278 HydrophobicContact CZ-CG 4.4Å; F253-M278 HydrophobicContact CZ-SD 3.42Å; F253-M278 WeakPolarHBondContact CZ-SD 3.4Å; F253-L296 HydrophobicContact CB-CD2 3.66Å; F253-L296 HydrophobicContact CD1-CD2 4.27Å; F253-L296 HydrophobicContact CD2-CD1 3.6Å; F253-L296 HydrophobicContact CD2-CD2 3.74Å; F253-L296 HydrophobicContact CD2-CG 4.35Å; F253-L296 HydrophobicContact CE2-CD1 3.63Å; F253-L296 HydrophobicContact CE2-CD2 4.49Å; F253-L296 HydrophobicContact CG-CD1 4.24Å; F253-L296 HydrophobicContact CG-CD2 3.62Å; F253-L296 HydrophobicContact CZ-CD1 4.27Å |
| 254 | E | 90.2 | Very high | 87.1 | Confident | 104 Ų | 104 | 47 Ų | 47 | 49% | 0.486 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.6 | -49.2 | 171 | -73.5 | 169.8 | -167.5 | 0 | 0 | 109.8 | K250 V256 L257 E258 | K250-E254 WeakPolarHBondContact O-CG 3.43Å; K250-E254 PolarHBondContact O-N 3.01Å; E254-V256 VanDerWaalsContact C-N 3.32Å; E254-V256 PolarHBondContact O-N 3.11Å; E254-L257 PolarHBondContact O-N 3.37Å; E254-E258 VanDerWaalsContact O-CG 3.32Å; E254-E258 WeakPolarHBondContact O-CG 3.39Å; E254-E258 PolarHBondContact O-N 3.35Å |
| 255 | C | 91.6 | Very high | 86.7 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.1 | -36.1 | 175.6 | -172.9 | 0 | 0 | 0 | 0 | 113.4 | C206 L251 A252 F253 | C206-C255 HydrophobicContact CB-CB 4.1Å; L251-C255 PolarHBondContact O-N 2.87Å; L251-C255 VanDerWaalsContact O-N 3.17Å; A252-C255 PolarHBondContact O-N 3.36Å; F253-C255 VanDerWaalsContact C-N 3.31Å |
| 256 | V | 92.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -76 | -38.7 | 179.2 | 165.8 | 0 | 0 | 0 | 0 | 111.8 | L234 L237 A252 F253 E254 L259 V271 S274 F275 | L234-V256 HydrophobicContact CD2-CG2 4.34Å; L237-V256 HydrophobicContact CD2-CG2 3.7Å; A252-V256 VanDerWaalsContact O-CG2 3.28Å; A252-V256 WeakPolarHBondContact O-CG2 3.06Å; A252-V256 PolarHBondContact O-N 3.29Å; F253-V256 PolarHBondContact O-N 3.24Å; E254-V256 VanDerWaalsContact C-N 3.32Å; E254-V256 PolarHBondContact O-N 3.11Å; V256-L259 WeakPolarHBondContact O-CB 3.41Å; V256-L259 PolarHBondContact O-N 3.29Å; V256-L259 VanDerWaalsContact O-N 3.13Å; V256-V271 HydrophobicContact CG1-CB 4.26Å; V256-V271 HydrophobicContact CG1-CG1 3.77Å; V256-V271 HydrophobicContact CG1-CG2 4.22Å; V256-S274 WeakPolarHBondContact CG1-OG 3.37Å; V256-F275 HydrophobicContact CG1-CE2 4.07Å |
| 257 | L | 88.4 | Confident | 86.4 | Confident | 40 Ų | 40 | 49.5 Ų | 49.5 | 21% | 0.209 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.8 | -30.9 | 178 | -77.2 | 170.6 | 0 | 0 | 0 | 112.2 | F253 E254 L259 A260 F275 A299 | F253-L257 VanDerWaalsContact O-CB 3.26Å; F253-L257 WeakPolarHBondContact O-CB 3.47Å; F253-L257 VanDerWaalsContact O-CG 3.3Å; F253-L257 WeakPolarHBondContact O-CG 3.44Å; F253-L257 PolarHBondContact O-N 2.83Å; E254-L257 PolarHBondContact O-N 3.37Å; L257-L259 PolarHBondContact O-N 3.29Å; L257-L259 VanDerWaalsContact O-N 3.1Å; L257-A260 VanDerWaalsContact O-CB 3.23Å; L257-A260 WeakPolarHBondContact O-CB 3.39Å; L257-A260 PolarHBondContact O-N 2.99Å; L257-F275 HydrophobicContact CD1-CZ 4.18Å; L257-F275 HydrophobicContact CD2-CE2 3.84Å; L257-F275 HydrophobicContact CD2-CZ 3.58Å; L257-F275 HydrophobicContact CG-CE2 4.19Å; L257-F275 HydrophobicContact CG-CZ 3.76Å; L257-A299 HydrophobicContact CD1-CB 4.13Å |
| 258 | E | 88.3 | Confident | 86.4 | Confident | 109 Ų | 109 | 42.2 Ų | 42.2 | 51% | 0.509 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -27.4 | 168.8 | -75.8 | 166 | -148.7 | 0 | 0 | 112.1 | R210 E254 | R210-E258 IonicContact CZ-OE1 2.63Å; R210-E258 IonicContact CZ-OE2 3.99Å; R210-E258 IonicContact NE-OE1 3.82Å; R210-E258 PolarHBondContact NE-OE1 2.77Å; R210-E258 IonicContact NE-OE2 3.6Å; R210-E258 PolarHBondContact NE-OE2 3.49Å; R210-E258 IonicContact NH2-OE1 3.61Å; R210-E258 PolarHBondContact NH2-OE1 3.4Å; R210-E258 IonicContact NH2-OE2 2.86Å; E254-E258 VanDerWaalsContact O-CG 3.32Å; E254-E258 WeakPolarHBondContact O-CG 3.39Å; E254-E258 PolarHBondContact O-N 3.35Å |
| 259 | L | 87.5 | Confident | 86.4 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -1.1 | 179.3 | -53.1 | 178.5 | 0 | 0 | 0 | 114 | I209 T213 L230 L234 V256 L257 N261 F262 V267 V271 | I209-L259 HydrophobicContact CG2-CD1 3.85Å; T213-L259 HydrophobicContact CG2-CD2 3.81Å; T213-L259 VanDerWaalsContact OG1-CD2 3.29Å; T213-L259 WeakPolarHBondContact OG1-CD2 3.4Å; L230-L259 HydrophobicContact CD1-CD1 4.18Å; L234-L259 HydrophobicContact CD1-CD1 3.77Å; L234-L259 HydrophobicContact CD2-CD1 3.61Å; L234-L259 HydrophobicContact CG-CD1 4.18Å; V256-L259 WeakPolarHBondContact O-CB 3.41Å; V256-L259 PolarHBondContact O-N 3.29Å; V256-L259 VanDerWaalsContact O-N 3.13Å; L257-L259 PolarHBondContact O-N 3.29Å; L257-L259 VanDerWaalsContact O-N 3.1Å; L259-N261 PolarHBondContact O-N 2.84Å; L259-F262 WeakPolarHBondContact O-CB 3.18Å; L259-F262 PolarHBondContact O-N 3.07Å; L259-F262 VanDerWaalsContact O-N 3.17Å; L259-V267 HydrophobicContact CB-CG1 4.21Å; L259-V267 HydrophobicContact CD1-CG1 4.35Å; L259-V271 HydrophobicContact CB-CG2 3.7Å |
| 260 | A | 85.2 | Confident | 86.4 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 7% | 0.066 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -29.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L257 V271 C303 | L257-A260 VanDerWaalsContact O-CB 3.23Å; L257-A260 WeakPolarHBondContact O-CB 3.39Å; L257-A260 PolarHBondContact O-N 2.99Å; A260-V271 HydrophobicContact CB-CG1 4.47Å; A260-C303 HydrophobicContact CB-CB 4.11Å |
| 261 | N | 79.7 | Confident | 86.5 | Confident | 141 Ų | 141 | 41.2 Ų | 41.2 | 75% | 0.754 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 21.2 | 177.9 | -64.6 | -22.8 | 0 | 0 | 0 | 112.7 | L259 | L259-N261 PolarHBondContact O-N 2.84Š|
| 262 | F | 83.6 | Confident | 86.6 | Confident | 26 Ų | 26 | 37.9 Ų | 37.9 | 11% | 0.114 | 20% | 0.203 | C | C | . | . | trans | -73.4 | 140.6 | -178.4 | -165.4 | -97.8 | 0 | 0 | 0 | 111.5 | T213 L216 L230 L259 N264 V267 V268 | T213-F262 HydrophobicContact CG2-CD2 4.36Å; T213-F262 HydrophobicContact CG2-CE2 4.17Å; L216-F262 HydrophobicContact CB-CZ 4.14Å; L216-F262 HydrophobicContact CD1-CZ 3.83Å; L230-F262 HydrophobicContact CD2-CZ 4.41Å; L259-F262 WeakPolarHBondContact O-CB 3.18Å; L259-F262 PolarHBondContact O-N 3.07Å; L259-F262 VanDerWaalsContact O-N 3.17Å; F262-N264 VanDerWaalsContact C-N 3.27Å; F262-N264 HydrophobicContact CD1-CB 3.74Å; F262-N264 HydrophobicContact CE1-CB 3.65Å; F262-N264 PolarHBondContact O-N 3.15Å; F262-V267 HydrophobicContact CB-CG1 4.25Å; F262-V267 HydrophobicContact CD1-CB 3.78Å; F262-V267 HydrophobicContact CD1-CG1 4.02Å; F262-V267 HydrophobicContact CD1-CG2 3.8Å; F262-V267 HydrophobicContact CE1-CB 4.46Å; F262-V267 HydrophobicContact CE1-CG2 3.98Å; F262-V267 HydrophobicContact CG-CB 4.41Å; F262-V267 HydrophobicContact CG-CG1 4.2Å; F262-V268 HydrophobicContact CB-CG2 4.5Å; F262-V268 WeakPolarHBondContact O-CG2 3.31Å | ||
| 263 | P | 75.4 | Confident | 86.6 | Confident | 117 Ų | 117 | 41.3 Ų | 41.3 | 76% | 0.76 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -64.1 | -26.2 | -174.9 | 22.8 | -34.8 | 0 | 0 | 0 | 114.4 | P265 | P263-P265 WeakPolarHBondContact O-CD 3.23Š|
| 264 | N | 78.9 | Confident | 86.7 | Confident | 46 Ų | 46 | 41.3 Ų | 41.3 | 25% | 0.246 | 22% | 0.219 | C | C | . | . | trans | -85 | 117.8 | 178.1 | -170.8 | -30 | 0 | 0 | 0 | 111.4 | C227 F262 L266 V267 V268 | C227-N264 PolarHBondContact SG-ND2 2.94Å; F262-N264 VanDerWaalsContact C-N 3.27Å; F262-N264 HydrophobicContact CD1-CB 3.74Å; F262-N264 HydrophobicContact CE1-CB 3.65Å; F262-N264 PolarHBondContact O-N 3.15Å; N264-L266 VanDerWaalsContact C-N 3.27Å; N264-L266 PolarHBondContact O-N 2.61Å; N264-L266 WeakPolarHBondContact OD1-CB 3.4Å; N264-L266 PolarHBondContact OD1-N 3.34Å; N264-V267 HydrophobicContact CB-CG2 4.11Å; N264-V267 PolarHBondContact O-N 2.89Å; N264-V267 VanDerWaalsContact O-N 3.16Å; N264-V268 PolarHBondContact O-N 3.2Å | ||
| 265 | P | 78.5 | Confident | 86.8 | Confident | 33 Ų | 33 | 36.3 Ų | 36.3 | 21% | 0.214 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.9 | -28.9 | -178.4 | 24.8 | -34 | 0 | 0 | 0 | 113.6 | P263 V267 V268 T269 T321 | P263-P265 WeakPolarHBondContact O-CD 3.23Å; P265-V267 VanDerWaalsContact C-N 3.29Å; P265-V267 PolarHBondContact O-N 2.68Å; P265-V268 WeakPolarHBondContact O-CB 3.31Å; P265-V268 PolarHBondContact O-N 3.01Å; P265-T269 PolarHBondContact O-N 3.41Å; P265-T269 PolarHBondContact O-OG1 2.61Å; P265-T321 VanDerWaalsContact CG-CB 3.49Å; P265-T321 HydrophobicContact CG-CG2 4.4Å; P265-T321 WeakPolarHBondContact CG-OG1 3.38Å |
| 266 | L | 81.9 | Confident | 86.9 | Confident | 87 Ų | 87 | 38.6 Ų | 38.6 | 46% | 0.455 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64 | -36.5 | 178.1 | -62.9 | 176.7 | 0 | 0 | 0 | 112 | L231 N264 K270 T321 | L231-L266 HydrophobicContact CD1-CB 4.42Å; N264-L266 VanDerWaalsContact C-N 3.27Å; N264-L266 PolarHBondContact O-N 2.61Å; N264-L266 WeakPolarHBondContact OD1-CB 3.4Å; N264-L266 PolarHBondContact OD1-N 3.34Å; L266-K270 PolarHBondContact O-N 3.47Å; L266-T321 HydrophobicContact CD2-CG2 4.2Å |
| 267 | V | 85.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.2 | -44.9 | 175.3 | 178.4 | 0 | 0 | 0 | 0 | 109.3 | L230 L231 L234 L259 F262 N264 P265 T269 K270 V271 | L230-V267 HydrophobicContact CD2-CG1 4.15Å; L230-V267 HydrophobicContact CD2-CG2 4.08Å; L231-V267 HydrophobicContact CD2-CB 4.41Å; L231-V267 HydrophobicContact CD2-CG2 3.9Å; L231-V267 HydrophobicContact CG-CG2 4.32Å; L234-V267 HydrophobicContact CD1-CG1 3.95Å; L259-V267 HydrophobicContact CB-CG1 4.21Å; L259-V267 HydrophobicContact CD1-CG1 4.35Å; F262-V267 HydrophobicContact CB-CG1 4.25Å; F262-V267 HydrophobicContact CD1-CB 3.78Å; F262-V267 HydrophobicContact CD1-CG1 4.02Å; F262-V267 HydrophobicContact CD1-CG2 3.8Å; F262-V267 HydrophobicContact CE1-CB 4.46Å; F262-V267 HydrophobicContact CE1-CG2 3.98Å; F262-V267 HydrophobicContact CG-CB 4.41Å; F262-V267 HydrophobicContact CG-CG1 4.2Å; N264-V267 HydrophobicContact CB-CG2 4.11Å; N264-V267 PolarHBondContact O-N 2.89Å; N264-V267 VanDerWaalsContact O-N 3.16Å; P265-V267 VanDerWaalsContact C-N 3.29Å; P265-V267 PolarHBondContact O-N 2.68Å; V267-T269 PolarHBondContact O-N 2.93Å; V267-K270 PolarHBondContact O-N 3.24Å; V267-K270 VanDerWaalsContact O-N 3.13Å; V267-V271 VanDerWaalsContact O-CG2 3.31Å; V267-V271 WeakPolarHBondContact O-CG2 3.3Å; V267-V271 PolarHBondContact O-N 3.16Å |
| 268 | V | 87.6 | Confident | 86.9 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.1 | -43.7 | 177.7 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | F262 N264 P265 K270 V271 F272 A325 | F262-V268 HydrophobicContact CB-CG2 4.5Å; F262-V268 WeakPolarHBondContact O-CG2 3.31Å; N264-V268 PolarHBondContact O-N 3.2Å; P265-V268 WeakPolarHBondContact O-CB 3.31Å; P265-V268 PolarHBondContact O-N 3.01Å; V268-K270 VanDerWaalsContact C-N 3.29Å; V268-K270 PolarHBondContact O-N 3.41Å; V268-V271 WeakPolarHBondContact O-CB 3.47Å; V268-V271 PolarHBondContact O-N 3.39Å; V268-F272 HydrophobicContact CG1-CD2 3.97Å; V268-F272 HydrophobicContact CG1-CE2 3.4Å; V268-F272 HydrophobicContact CG1-CZ 4.21Å; V268-F272 VanDerWaalsContact O-CD2 3.26Å; V268-F272 WeakPolarHBondContact O-CD2 3.38Å; V268-F272 PolarHBondContact O-N 3.31Å; V268-F272 VanDerWaalsContact O-N 3.1Å; V268-A325 HydrophobicContact CB-CB 4.44Å; V268-A325 HydrophobicContact CG1-CB 4.07Å |
| 269 | T | 88.3 | Confident | 86.9 | Confident | 28 Ų | 28 | 33.4 Ų | 33.4 | 17% | 0.172 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.8 | -44.2 | 172.8 | -56.8 | 0 | 0 | 0 | 0 | 111 | P265 V267 F272 H273 D324 A325 S328 | P265-T269 PolarHBondContact O-N 3.41Å; P265-T269 PolarHBondContact O-OG1 2.61Å; V267-T269 PolarHBondContact O-N 2.93Å; T269-F272 PolarHBondContact O-N 3.23Å; T269-H273 WeakPolarHBondContact O-CB 3.36Å; T269-H273 PolarHBondContact O-N 3.25Å; T269-D324 HydrophobicContact CG2-CB 4.48Å; T269-A325 WeakPolarHBondContact OG1-CA 3.49Å; T269-A325 PolarHBondContact OG1-N 3.07Å; T269-S328 VanDerWaalsContact CG2-OG 3.25Å; T269-S328 WeakPolarHBondContact CG2-OG 3.47Å |
| 270 | K | 89.4 | Confident | 86.9 | Confident | 37 Ų | 37 | 36.8 Ų | 36.8 | 16% | 0.161 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.5 | -35.4 | 179.2 | -172.1 | 68 | -153.6 | -170 | 0 | 112.7 | L231 L234 D235 L266 V267 V268 H273 S274 | L231-K270 HydrophobicContact CD2-CB 4.14Å; L234-K270 HydrophobicContact CB-CG 4.14Å; D235-K270 VanDerWaalsContact OD1-CD 3.25Å; D235-K270 WeakPolarHBondContact OD1-CD 3.21Å; D235-K270 WeakPolarHBondContact OD1-CE 3.3Å; D235-K270 IonicContact OD1-NZ 2.79Å; D235-K270 PolarHBondContact OD1-NZ 2.89Å; L266-K270 PolarHBondContact O-N 3.47Å; V267-K270 PolarHBondContact O-N 3.24Å; V267-K270 VanDerWaalsContact O-N 3.13Å; V268-K270 VanDerWaalsContact C-N 3.29Å; V268-K270 PolarHBondContact O-N 3.41Å; K270-H273 PolarHBondContact NZ-CD2 2.96Å; K270-H273 WeakPolarHBondContact O-CB 2.97Å; K270-H273 PolarHBondContact O-N 3.18Å; K270-S274 PolarHBondContact O-N 3.1Å |
| 271 | V | 91.6 | Very high | 86.8 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.4 | -52.7 | 171.9 | 164.4 | 0 | 0 | 0 | 0 | 109.9 | V256 L259 A260 V267 V268 H273 S274 F275 | V256-V271 HydrophobicContact CG1-CB 4.26Å; V256-V271 HydrophobicContact CG1-CG1 3.77Å; V256-V271 HydrophobicContact CG1-CG2 4.22Å; L259-V271 HydrophobicContact CB-CG2 3.7Å; A260-V271 HydrophobicContact CB-CG1 4.47Å; V267-V271 VanDerWaalsContact O-CG2 3.31Å; V267-V271 WeakPolarHBondContact O-CG2 3.3Å; V267-V271 PolarHBondContact O-N 3.16Å; V268-V271 WeakPolarHBondContact O-CB 3.47Å; V268-V271 PolarHBondContact O-N 3.39Å; V271-H273 VanDerWaalsContact C-N 3.34Å; V271-H273 PolarHBondContact O-N 3.17Å; V271-S274 PolarHBondContact O-N 3.13Å; V271-S274 VanDerWaalsContact O-N 3.16Å; V271-S274 PolarHBondContact O-OG 3.36Å; V271-F275 HydrophobicContact CG1-CE2 4.47Å; V271-F275 WeakPolarHBondContact O-CD2 3.39Å; V271-F275 PolarHBondContact O-N 3.16Å |
| 272 | F | 93.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.7 | -32.5 | 178.4 | -61.7 | -52.6 | 0 | 0 | 0 | 113.3 | V268 T269 S274 F275 K276 L300 C303 P305 W329 A332 | V268-F272 HydrophobicContact CG1-CD2 3.97Å; V268-F272 HydrophobicContact CG1-CE2 3.4Å; V268-F272 HydrophobicContact CG1-CZ 4.21Å; V268-F272 VanDerWaalsContact O-CD2 3.26Å; V268-F272 WeakPolarHBondContact O-CD2 3.38Å; V268-F272 PolarHBondContact O-N 3.31Å; V268-F272 VanDerWaalsContact O-N 3.1Å; T269-F272 PolarHBondContact O-N 3.23Å; F272-S274 PolarHBondContact O-N 3.4Å; F272-F275 PolarHBondContact O-N 3.3Å; F272-K276 PolarHBondContact O-N 3.38Å; F272-L300 HydrophobicContact CD1-CD2 3.88Å; F272-L300 HydrophobicContact CE1-CD2 4.01Å; F272-C303 HydrophobicContact CE1-CB 4.47Å; F272-C303 WeakPolarHBondContact CZ-O 3.42Å; F272-P305 HydrophobicContact CE2-CB 4.39Å; F272-P305 HydrophobicContact CE2-CG 4.08Å; F272-W329 HydrophobicContact CD1-CB 4.17Å; F272-W329 AromaticContact CD1-CD1 3.88Å; F272-W329 HydrophobicContact CD1-CG 4.46Å; F272-W329 HydrophobicContact CD2-CB 3.65Å; F272-W329 HydrophobicContact CE1-CB 4.32Å; F272-W329 AromaticContact CE1-CD1 3.49Å; F272-W329 VanDerWaalsContact CE1-CD1 3.49Å; F272-W329 HydrophobicContact CE1-CG 4.29Å; F272-W329 HydrophobicContact CE2-CB 3.76Å; F272-W329 HydrophobicContact CE2-CG 4.33Å; F272-W329 HydrophobicContact CG-CB 3.86Å; F272-W329 HydrophobicContact CZ-CB 4.12Å; F272-W329 AromaticContact CZ-CD1 3.67Å; F272-W329 HydrophobicContact CZ-CG 4.22Å; F272-A332 HydrophobicContact CB-CB 4.19Å; F272-A332 WeakPolarHBondContact O-CB 3.26Å |
| 273 | H | 92.5 | Very high | 86.6 | Confident | 72 Ų | 72 | 39.9 Ų | 39.9 | 33% | 0.333 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.3 | -35.9 | 172 | -174.3 | 86 | 0 | 0 | 0 | 112.1 | T269 K270 V271 K276 T277 | T269-H273 WeakPolarHBondContact O-CB 3.36Å; T269-H273 PolarHBondContact O-N 3.25Å; K270-H273 PolarHBondContact NZ-CD2 2.96Å; K270-H273 WeakPolarHBondContact O-CB 2.97Å; K270-H273 PolarHBondContact O-N 3.18Å; V271-H273 VanDerWaalsContact C-N 3.34Å; V271-H273 PolarHBondContact O-N 3.17Å; H273-K276 WeakPolarHBondContact O-CB 3.44Å; H273-K276 PolarHBondContact O-N 3.13Å; H273-T277 VanDerWaalsContact NE2-CG2 3.31Å; H273-T277 WeakPolarHBondContact NE2-CG2 3.36Å; H273-T277 WeakPolarHBondContact O-CG2 3.24Å; H273-T277 PolarHBondContact O-N 2.85Å; H273-T277 PolarHBondContact O-OG1 3.24Å |
| 274 | S | 91.8 | Very high | 86.5 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.1 | -40.8 | 179.1 | 79.4 | 0 | 0 | 0 | 0 | 112.4 | T238 V256 K270 V271 F272 T277 M278 | T238-S274 WeakPolarHBondContact OG1-CB 3.41Å; V256-S274 WeakPolarHBondContact CG1-OG 3.37Å; K270-S274 PolarHBondContact O-N 3.1Å; V271-S274 PolarHBondContact O-N 3.13Å; V271-S274 VanDerWaalsContact O-N 3.16Å; V271-S274 PolarHBondContact O-OG 3.36Å; F272-S274 PolarHBondContact O-N 3.4Å; S274-T277 WeakPolarHBondContact CA-OG1 3.41Å; S274-T277 PolarHBondContact O-N 2.9Å; S274-T277 PolarHBondContact O-OG1 3.01Å; S274-M278 PolarHBondContact O-N 3.37Å |
| 275 | F | 92.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.7 | -49.8 | 170.7 | -81.4 | -89.4 | 0 | 0 | 0 | 111.5 | F253 V256 L257 V271 F272 T277 M278 F279 L296 L300 A332 | F253-F275 AromaticContact CD1-CD1 3.96Å; F253-F275 HydrophobicContact CD1-CD1 3.96Å; F253-F275 HydrophobicContact CD1-CD2 4.21Å; F253-F275 AromaticContact CD1-CE1 3.4Å; F253-F275 HydrophobicContact CD1-CE1 3.4Å; F253-F275 VanDerWaalsContact CD1-CE1 3.4Å; F253-F275 AromaticContact CD1-CE2 3.68Å; F253-F275 HydrophobicContact CD1-CE2 3.68Å; F253-F275 HydrophobicContact CD1-CG 4.34Å; F253-F275 AromaticContact CD1-CZ 3.23Å; F253-F275 HydrophobicContact CD1-CZ 3.23Å; F253-F275 AromaticContact CE1-CD1 3.45Å; F253-F275 HydrophobicContact CE1-CD1 3.45Å; F253-F275 VanDerWaalsContact CE1-CD1 3.45Å; F253-F275 AromaticContact CE1-CD2 3.89Å; F253-F275 HydrophobicContact CE1-CD2 3.89Å; F253-F275 AromaticContact CE1-CE1 3.42Å; F253-F275 HydrophobicContact CE1-CE1 3.42Å; F253-F275 VanDerWaalsContact CE1-CE1 3.42Å; F253-F275 AromaticContact CE1-CE2 3.84Å; F253-F275 HydrophobicContact CE1-CE2 3.84Å; F253-F275 AromaticContact CE1-CG 3.7Å; F253-F275 HydrophobicContact CE1-CG 3.7Å; F253-F275 AromaticContact CE1-CZ 3.61Å; F253-F275 HydrophobicContact CE1-CZ 3.61Å; F253-F275 HydrophobicContact CG-CE1 4.21Å; F253-F275 HydrophobicContact CG-CZ 4.18Å; F253-F275 HydrophobicContact CZ-CD1 4.13Å; F253-F275 HydrophobicContact CZ-CE1 4.26Å; V256-F275 HydrophobicContact CG1-CE2 4.07Å; L257-F275 HydrophobicContact CD1-CZ 4.18Å; L257-F275 HydrophobicContact CD2-CE2 3.84Å; L257-F275 HydrophobicContact CD2-CZ 3.58Å; L257-F275 HydrophobicContact CG-CE2 4.19Å; L257-F275 HydrophobicContact CG-CZ 3.76Å; V271-F275 HydrophobicContact CG1-CE2 4.47Å; V271-F275 WeakPolarHBondContact O-CD2 3.39Å; V271-F275 PolarHBondContact O-N 3.16Å; F272-F275 PolarHBondContact O-N 3.3Å; F275-T277 PolarHBondContact O-N 3.43Å; F275-M278 PolarHBondContact O-N 3.17Å; F275-F279 HydrophobicContact CB-CE2 4.36Å; F275-F279 HydrophobicContact CD1-CE2 4.18Å; F275-F279 WeakPolarHBondContact O-CD2 3.33Å; F275-F279 PolarHBondContact O-N 3.47Å; F275-L296 HydrophobicContact CE1-CB 4.14Å; F275-L296 HydrophobicContact CE1-CD2 4.05Å; F275-L300 HydrophobicContact CB-CD1 4.15Å; F275-L300 HydrophobicContact CB-CD2 4.44Å; F275-L300 HydrophobicContact CD1-CD1 3.66Å; F275-L300 HydrophobicContact CD1-CD2 3.87Å; F275-L300 HydrophobicContact CD1-CG 3.86Å; F275-L300 HydrophobicContact CD2-CD2 3.73Å; F275-L300 HydrophobicContact CE1-CD1 4.19Å; F275-L300 HydrophobicContact CE1-CD2 3.92Å; F275-L300 HydrophobicContact CE1-CG 3.9Å; F275-L300 HydrophobicContact CE2-CD2 3.8Å; F275-L300 HydrophobicContact CG-CD1 3.97Å; F275-L300 HydrophobicContact CG-CD2 3.76Å; F275-L300 HydrophobicContact CG-CG 4.21Å; F275-L300 HydrophobicContact CZ-CD2 3.89Å; F275-L300 HydrophobicContact CZ-CG 4.31Å; F275-A332 HydrophobicContact CB-CB 3.87Å |
| 276 | K | 93.5 | Very high | 85.9 | Confident | 49 Ų | 49 | 40.2 Ų | 40.2 | 21% | 0.213 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.6 | -50.6 | 178.4 | -174.1 | -164.8 | -179.7 | -72.3 | 0 | 111.4 | F272 H273 M278 F279 D280 L331 A332 S335 | F272-K276 PolarHBondContact O-N 3.38Å; H273-K276 WeakPolarHBondContact O-CB 3.44Å; H273-K276 PolarHBondContact O-N 3.13Å; K276-M278 VanDerWaalsContact C-N 3.27Å; K276-M278 PolarHBondContact O-N 2.82Å; K276-F279 PolarHBondContact O-N 3.33Å; K276-D280 IonicContact NZ-OD2 2.75Å; K276-D280 PolarHBondContact NZ-OD2 3.47Å; K276-D280 WeakPolarHBondContact O-CB 3.14Å; K276-D280 VanDerWaalsContact O-CG 3.25Å; K276-D280 PolarHBondContact O-N 2.74Å; K276-L331 HydrophobicContact CD-CB 3.84Å; K276-L331 HydrophobicContact CD-CD1 4.42Å; K276-L331 HydrophobicContact CG-CB 4.39Å; K276-A332 HydrophobicContact CB-CB 4.43Å; K276-S335 WeakPolarHBondContact CG-OG 3.27Å |
| 277 | T | 89.8 | Confident | 85.9 | Confident | 35 Ų | 35 | 36.3 Ų | 36.3 | 22% | 0.215 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.1 | -34.7 | 179.8 | 46 | 0 | 0 | 0 | 0 | 112.4 | T238 H273 S274 F275 S281 | T238-T277 HydrophobicContact CG2-CG2 4.18Å; T238-T277 WeakPolarHBondContact CG2-OG1 2.87Å; H273-T277 VanDerWaalsContact NE2-CG2 3.31Å; H273-T277 WeakPolarHBondContact NE2-CG2 3.36Å; H273-T277 WeakPolarHBondContact O-CG2 3.24Å; H273-T277 PolarHBondContact O-N 2.85Å; H273-T277 PolarHBondContact O-OG1 3.24Å; S274-T277 WeakPolarHBondContact CA-OG1 3.41Å; S274-T277 PolarHBondContact O-N 2.9Å; S274-T277 PolarHBondContact O-OG1 3.01Å; F275-T277 PolarHBondContact O-N 3.43Å; T277-S281 WeakPolarHBondContact O-CB 3.49Å; T277-S281 PolarHBondContact O-N 2.77Å |
| 278 | M | 89.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.9 | -47.1 | 176.6 | -168.5 | 174.6 | 75.6 | 0 | 0 | 111.2 | M241 V249 F253 S274 F275 K276 S281 P283 L288 L296 | M241-M278 HydrophobicContact CE-SD 4.5Å; V249-M278 HydrophobicContact CG1-CE 4.38Å; V249-M278 HydrophobicContact CG1-SD 3.93Å; F253-M278 HydrophobicContact CD2-CE 4.22Å; F253-M278 HydrophobicContact CE1-CE 4.49Å; F253-M278 HydrophobicContact CE2-CE 3.03Å; F253-M278 HydrophobicContact CE2-SD 3.24Å; F253-M278 WeakPolarHBondContact CE2-SD 3.45Å; F253-M278 HydrophobicContact CZ-CB 4.15Å; F253-M278 HydrophobicContact CZ-CE 3.19Å; F253-M278 HydrophobicContact CZ-CG 4.4Å; F253-M278 HydrophobicContact CZ-SD 3.42Å; F253-M278 WeakPolarHBondContact CZ-SD 3.4Å; S274-M278 PolarHBondContact O-N 3.37Å; F275-M278 PolarHBondContact O-N 3.17Å; K276-M278 VanDerWaalsContact C-N 3.27Å; K276-M278 PolarHBondContact O-N 2.82Å; M278-S281 PolarHBondContact O-N 2.68Å; M278-S281 PolarHBondContact O-OG 2.87Å; M278-P283 VanDerWaalsContact O-CD 3.31Å; M278-P283 WeakPolarHBondContact O-CD 3.44Å; M278-L288 HydrophobicContact CE-CD1 3.54Å; M278-L288 HydrophobicContact CE-CD2 3.68Å; M278-L288 HydrophobicContact CE-CG 4.21Å; M278-L296 HydrophobicContact CE-CD1 3.77Å |
| 279 | F | 89.3 | Confident | 85.6 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.7 | -38.3 | 178 | -65.2 | -58 | 0 | 0 | 0 | 112.7 | F275 K276 S281 K282 L288 A293 L300 G336 Y339 | F275-F279 HydrophobicContact CB-CE2 4.36Å; F275-F279 HydrophobicContact CD1-CE2 4.18Å; F275-F279 WeakPolarHBondContact O-CD2 3.33Å; F275-F279 PolarHBondContact O-N 3.47Å; K276-F279 PolarHBondContact O-N 3.33Å; F279-S281 VanDerWaalsContact C-N 3.29Å; F279-S281 PolarHBondContact O-N 2.95Å; F279-K282 PolarHBondContact O-N 3.12Å; F279-L288 HydrophobicContact CD1-CD2 4.13Å; F279-L288 HydrophobicContact CE1-CD2 4.06Å; F279-A293 HydrophobicContact CE1-CB 4.26Å; F279-L300 HydrophobicContact CE2-CD1 4.29Å; F279-G336 VanDerWaalsContact CD2-CA 3.42Å; F279-Y339 AromaticContact CD1-CD1 3.97Å; F279-Y339 HydrophobicContact CD1-CD1 3.97Å; F279-Y339 HydrophobicContact CD1-CG 4.1Å; F279-Y339 HydrophobicContact CE1-CD1 4.42Å |
| 280 | D | 87 | Confident | 85.3 | Confident | 76 Ų | 76 | 37.2 Ų | 37.2 | 41% | 0.406 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67.5 | -29.3 | 178.6 | -73.1 | -8.8 | 0 | 0 | 0 | 112.7 | K276 K282 S335 | K276-D280 IonicContact NZ-OD2 2.75Å; K276-D280 PolarHBondContact NZ-OD2 3.47Å; K276-D280 WeakPolarHBondContact O-CB 3.14Å; K276-D280 VanDerWaalsContact O-CG 3.25Å; K276-D280 PolarHBondContact O-N 2.74Å; D280-K282 PolarHBondContact O-N 3.45Å; D280-K282 VanDerWaalsContact O-N 3.16Å; D280-S335 VanDerWaalsContact OD1-CB 3.27Å; D280-S335 WeakPolarHBondContact OD1-CB 3.48Å; D280-S335 PolarHBondContact OD1-OG 3.02Å |
| 281 | S | 82.4 | Confident | 85 | Confident | 53 Ų | 53 | 40.8 Ų | 40.8 | 37% | 0.371 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -10.2 | 177.8 | 71.7 | 0 | 0 | 0 | 0 | 113.9 | P242 T277 M278 F279 | P242-S281 WeakPolarHBondContact CB-OG 3.49Å; P242-S281 WeakPolarHBondContact CG-OG 3.25Å; T277-S281 WeakPolarHBondContact O-CB 3.49Å; T277-S281 PolarHBondContact O-N 2.77Å; M278-S281 PolarHBondContact O-N 2.68Å; M278-S281 PolarHBondContact O-OG 2.87Å; F279-S281 VanDerWaalsContact C-N 3.29Å; F279-S281 PolarHBondContact O-N 2.95Å |
| 282 | K | 81.2 | Confident | 84.7 | Confident | 173 Ų | 173 | 41.2 Ų | 41.2 | 75% | 0.752 | 21% | 0.214 | S | C | * | . | trans | 45.6 | 60.7 | -176.3 | -63.7 | 179.6 | -177.8 | 176.4 | 0 | 111.5 | F279 D280 | F279-K282 PolarHBondContact O-N 3.12Å; D280-K282 PolarHBondContact O-N 3.45Å; D280-K282 VanDerWaalsContact O-N 3.16Å | ||
| 283 | P | 77.7 | Confident | 84.4 | Confident | 14 Ų | 14 | 41.2 Ų | 41.2 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | trans | -62.6 | 158.3 | -175.3 | 28.3 | -35.6 | 0 | 0 | 0 | 111.2 | M278 T287 L288 Y339 | M278-P283 VanDerWaalsContact O-CD 3.31Å; M278-P283 WeakPolarHBondContact O-CD 3.44Å; P283-T287 HydrophobicContact CB-CG2 4.11Å; P283-L288 HydrophobicContact CB-CB 4.3Å; P283-L288 HydrophobicContact CG-CB 3.68Å; P283-L288 HydrophobicContact CG-CD2 3.77Å; P283-L288 HydrophobicContact CG-CG 4.4Å; P283-Y339 HydrophobicContact CG-CE2 4.38Å | ||
| 284 | S | 73.3 | Confident | 84.1 | Confident | 46 Ų | 46 | 38.1 Ų | 38.1 | 32% | 0.322 | 20% | 0.201 | S | C | . | . | trans | -64 | 150.5 | 175.6 | 65.5 | 0 | 0 | 0 | 0 | 111.2 | K286 T287 L288 | S284-K286 PolarHBondContact O-N 3.3Å; S284-K286 VanDerWaalsContact O-N 3.12Å; S284-T287 WeakPolarHBondContact O-CA 3.28Å; S284-T287 WeakPolarHBondContact O-CB 3.36Å; S284-T287 PolarHBondContact O-N 3.46Å; S284-T287 PolarHBondContact OG-OG1 3.43Å; S284-L288 PolarHBondContact O-N 2.96Å | ||
| 285 | L | 73.2 | Confident | 83.8 | Confident | 65 Ų | 65 | 44.8 Ų | 44.8 | 34% | 0.34 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26.9 | 180 | -172.8 | 64 | 0 | 0 | 0 | 112.9 | L288 P289 I290 | L285-L288 CarbonylContact O-C 3.37Å; L285-P289 WeakPolarHBondContact O-CA 3.44Å; L285-P289 VanDerWaalsContact O-CD 3.27Å; L285-P289 WeakPolarHBondContact O-CD 3.35Å; L285-P289 WeakPolarHBondContact O-CG 3.46Å; L285-P289 VanDerWaalsContact O-N 3.11Å; L285-I290 HydrophobicContact CD1-CD1 3.92Å; L285-I290 HydrophobicContact CD1-CG1 3.75Å |
| 286 | K | 73.3 | Confident | 83.6 | Confident | 92 Ų | 92 | 45.5 Ų | 45.5 | 40% | 0.4 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -33.6 | 172.9 | -70.6 | 179.7 | 176.7 | 171.6 | 0 | 112.6 | G190 D191 V192 F194 S284 | G190-K286 PolarHBondContact O-NZ 3.48Å; D191-K286 IonicContact OD1-NZ 3.84Å; D191-K286 PolarHBondContact OD1-NZ 3.2Å; V192-K286 HydrophobicContact CB-CD 3.99Å; V192-K286 HydrophobicContact CG2-CD 4.04Å; F194-K286 HydrophobicContact CE2-CB 4.42Å; F194-K286 HydrophobicContact CZ-CB 4.18Å; S284-K286 PolarHBondContact O-N 3.3Å; S284-K286 VanDerWaalsContact O-N 3.12Å |
| 287 | T | 81.2 | Confident | 83.3 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -51.5 | 177.2 | -53.2 | 0 | 0 | 0 | 0 | 110.3 | F194 L244 S246 V249 P283 S284 P289 | F194-T287 WeakPolarHBondContact CE1-OG1 3.49Å; L244-T287 WeakPolarHBondContact O-CG2 3.34Å; S246-T287 WeakPolarHBondContact CA-O 3.32Å; S246-T287 WeakPolarHBondContact CB-O 3.17Å; V249-T287 HydrophobicContact CG2-CG2 4.19Å; P283-T287 HydrophobicContact CB-CG2 4.11Å; S284-T287 WeakPolarHBondContact O-CA 3.28Å; S284-T287 WeakPolarHBondContact O-CB 3.36Å; S284-T287 PolarHBondContact O-N 3.46Å; S284-T287 PolarHBondContact OG-OG1 3.43Å; T287-P289 VanDerWaalsContact C-CD 3.48Å; T287-P289 WeakPolarHBondContact O-CD 3.26Å |
| 288 | L | 84 | Confident | 83.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -124.4 | 84.1 | -179.6 | -171.4 | 66.4 | 0 | 0 | 0 | 111.6 | M278 F279 P283 S284 L285 I292 A293 L296 Y339 | M278-L288 HydrophobicContact CE-CD1 3.54Å; M278-L288 HydrophobicContact CE-CD2 3.68Å; M278-L288 HydrophobicContact CE-CG 4.21Å; F279-L288 HydrophobicContact CD1-CD2 4.13Å; F279-L288 HydrophobicContact CE1-CD2 4.06Å; P283-L288 HydrophobicContact CB-CB 4.3Å; P283-L288 HydrophobicContact CG-CB 3.68Å; P283-L288 HydrophobicContact CG-CD2 3.77Å; P283-L288 HydrophobicContact CG-CG 4.4Å; S284-L288 PolarHBondContact O-N 2.96Å; L285-L288 CarbonylContact O-C 3.37Å; L288-I292 HydrophobicContact CD1-CB 4.39Å; L288-I292 HydrophobicContact CD1-CG2 3.99Å; L288-A293 HydrophobicContact CD1-CB 4.36Å; L288-A293 HydrophobicContact CD2-CB 4.11Å; L288-A293 HydrophobicContact CG-CB 4.05Å; L288-L296 HydrophobicContact CD1-CD1 4.04Å; L288-Y339 HydrophobicContact CD2-CD1 4.39Å; L288-Y339 HydrophobicContact CD2-CE1 3.73Å; L288-Y339 HydrophobicContact CG-CE1 4.41Å; L288-Y339 PolarHBondContact O-OH 2.92Å |
| 289 | P | 82.7 | Confident | 83.2 | Confident | 35 Ų | 35 | 45.7 Ų | 45.7 | 23% | 0.227 | 24% | 0.238 | C | C | . | . | trans | -54.1 | 149.5 | 168.1 | -28.2 | 33 | 0 | 0 | 0 | 113 | L285 T287 D291 I292 A293 | L285-P289 WeakPolarHBondContact O-CA 3.44Å; L285-P289 VanDerWaalsContact O-CD 3.27Å; L285-P289 WeakPolarHBondContact O-CD 3.35Å; L285-P289 WeakPolarHBondContact O-CG 3.46Å; L285-P289 VanDerWaalsContact O-N 3.11Å; T287-P289 VanDerWaalsContact C-CD 3.48Å; T287-P289 WeakPolarHBondContact O-CD 3.26Å; P289-D291 PolarHBondContact O-N 2.83Å; P289-I292 HydrophobicContact CB-CD1 4.02Å; P289-I292 HydrophobicContact CB-CG1 4.3Å; P289-I292 HydrophobicContact CG-CD1 3.76Å; P289-I292 PolarHBondContact O-N 3.49Å; P289-I292 VanDerWaalsContact O-N 3.08Å; P289-A293 PolarHBondContact O-N 2.79Å | ||
| 290 | I | 81.4 | Confident | 83.1 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 11% | 0.113 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.2 | -44.8 | -175.9 | -66.4 | 153.6 | 0 | 0 | 0 | 111.6 | L285 I292 A293 A294 L340 L343 I367 L370 | L285-I290 HydrophobicContact CD1-CD1 3.92Å; L285-I290 HydrophobicContact CD1-CG1 3.75Å; I290-I292 PolarHBondContact O-N 2.74Å; I290-A293 WeakPolarHBondContact O-CB 3.45Å; I290-A293 PolarHBondContact O-N 2.92Å; I290-A293 VanDerWaalsContact O-N 3.15Å; I290-A294 PolarHBondContact O-N 3.43Å; I290-L340 HydrophobicContact CG2-CD2 4.39Å; I290-L343 HydrophobicContact CG1-CD1 3.87Å; I290-I367 HydrophobicContact CD1-CD1 3.61Å; I290-I367 HydrophobicContact CD1-CG1 3.92Å; I290-I367 HydrophobicContact CD1-CG2 4.38Å; I290-I367 HydrophobicContact CG2-CG1 4.34Å; I290-I367 HydrophobicContact CG2-CG2 4.48Å; I290-L370 HydrophobicContact CG2-CD2 4.38Å |
| 291 | D | 83.4 | Confident | 83.2 | Confident | 112 Ų | 112 | 42.8 Ų | 42.8 | 60% | 0.599 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -61.3 | -30.8 | 178.3 | -60.6 | -21.7 | 0 | 0 | 0 | 113.3 | P289 R295 | P289-D291 PolarHBondContact O-N 2.83Å; D291-R295 WeakPolarHBondContact O-CB 3.38Å; D291-R295 VanDerWaalsContact O-CG 3.27Å; D291-R295 WeakPolarHBondContact O-CG 3.08Å; D291-R295 PolarHBondContact O-N 2.87Å; D291-R295 PolarHBondContact O-NE 3Å |
| 292 | I | 85.4 | Confident | 83.2 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 5% | 0.051 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -77.2 | -45.6 | 177.5 | -63 | 169.1 | 0 | 0 | 0 | 108.8 | K250 L288 P289 I290 A294 R295 L296 | K250-I292 HydrophobicContact CD-CD1 4.36Å; K250-I292 HydrophobicContact CG-CD1 4.37Å; K250-I292 HydrophobicContact CG-CG2 4.29Å; L288-I292 HydrophobicContact CD1-CB 4.39Å; L288-I292 HydrophobicContact CD1-CG2 3.99Å; P289-I292 HydrophobicContact CB-CD1 4.02Å; P289-I292 HydrophobicContact CB-CG1 4.3Å; P289-I292 HydrophobicContact CG-CD1 3.76Å; P289-I292 PolarHBondContact O-N 3.49Å; P289-I292 VanDerWaalsContact O-N 3.08Å; I290-I292 PolarHBondContact O-N 2.74Å; I292-A294 VanDerWaalsContact C-N 3.32Å; I292-A294 PolarHBondContact O-N 3.1Å; I292-R295 PolarHBondContact O-N 2.72Å; I292-L296 HydrophobicContact CG2-CD1 3.96Å; I292-L296 HydrophobicContact CG2-CG 4.21Å; I292-L296 WeakPolarHBondContact O-CB 3.4Å; I292-L296 VanDerWaalsContact O-CG 3.24Å; I292-L296 WeakPolarHBondContact O-CG 3.48Å; I292-L296 PolarHBondContact O-N 3.03Å |
| 293 | A | 87.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.7 | -44.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F279 L288 P289 I290 L296 L297 Y339 L340 | F279-A293 HydrophobicContact CE1-CB 4.26Å; L288-A293 HydrophobicContact CD1-CB 4.36Å; L288-A293 HydrophobicContact CD2-CB 4.11Å; L288-A293 HydrophobicContact CG-CB 4.05Å; P289-A293 PolarHBondContact O-N 2.79Å; I290-A293 WeakPolarHBondContact O-CB 3.45Å; I290-A293 PolarHBondContact O-N 2.92Å; I290-A293 VanDerWaalsContact O-N 3.15Å; A293-L296 PolarHBondContact O-N 3.3Å; A293-L297 WeakPolarHBondContact O-CB 3.31Å; A293-L297 PolarHBondContact O-N 3.4Å; A293-Y339 HydrophobicContact CB-CD1 4.35Å; A293-Y339 HydrophobicContact CB-CE1 4.06Å; A293-L340 HydrophobicContact CB-CD2 3.88Å |
| 294 | A | 85.5 | Confident | 83.6 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.2 | -40.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I290 I292 L297 T298 L370 | I290-A294 PolarHBondContact O-N 3.43Å; I292-A294 VanDerWaalsContact C-N 3.32Å; I292-A294 PolarHBondContact O-N 3.1Å; A294-L297 PolarHBondContact O-N 3.16Å; A294-T298 WeakPolarHBondContact O-CB 3.5Å; A294-T298 PolarHBondContact O-N 2.66Å; A294-T298 PolarHBondContact O-OG1 3.08Å; A294-L370 HydrophobicContact CB-CD1 4.3Å; A294-L370 HydrophobicContact CB-CD2 3.56Å; A294-L370 HydrophobicContact CB-CG 4.12Å |
| 295 | R | 86.9 | Confident | 83.7 | Confident | 143 Ų | 143 | 39.6 Ų | 39.6 | 54% | 0.54 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.8 | -41.6 | 173.5 | -78.5 | -176.7 | -66.7 | 160.7 | -15.3 | 112.6 | D291 I292 L297 T298 A299 | D291-R295 WeakPolarHBondContact O-CB 3.38Å; D291-R295 VanDerWaalsContact O-CG 3.27Å; D291-R295 WeakPolarHBondContact O-CG 3.08Å; D291-R295 PolarHBondContact O-N 2.87Å; D291-R295 PolarHBondContact O-NE 3Å; I292-R295 PolarHBondContact O-N 2.72Å; R295-L297 VanDerWaalsContact C-N 3.34Å; R295-T298 PolarHBondContact O-N 3.26Å; R295-A299 WeakPolarHBondContact O-CB 3.27Å; R295-A299 PolarHBondContact O-N 3.33Å |
| 296 | L | 88.2 | Confident | 83.3 | Confident | 14 Ų | 14 | 42.1 Ų | 42.1 | 7% | 0.073 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 174.8 | -72.5 | 175.6 | 0 | 0 | 0 | 111.2 | F253 F275 M278 L288 I292 A293 T298 A299 L300 | F253-L296 HydrophobicContact CB-CD2 3.66Å; F253-L296 HydrophobicContact CD1-CD2 4.27Å; F253-L296 HydrophobicContact CD2-CD1 3.6Å; F253-L296 HydrophobicContact CD2-CD2 3.74Å; F253-L296 HydrophobicContact CD2-CG 4.35Å; F253-L296 HydrophobicContact CE2-CD1 3.63Å; F253-L296 HydrophobicContact CE2-CD2 4.49Å; F253-L296 HydrophobicContact CG-CD1 4.24Å; F253-L296 HydrophobicContact CG-CD2 3.62Å; F253-L296 HydrophobicContact CZ-CD1 4.27Å; F275-L296 HydrophobicContact CE1-CB 4.14Å; F275-L296 HydrophobicContact CE1-CD2 4.05Å; M278-L296 HydrophobicContact CE-CD1 3.77Å; L288-L296 HydrophobicContact CD1-CD1 4.04Å; I292-L296 HydrophobicContact CG2-CD1 3.96Å; I292-L296 HydrophobicContact CG2-CG 4.21Å; I292-L296 WeakPolarHBondContact O-CB 3.4Å; I292-L296 VanDerWaalsContact O-CG 3.24Å; I292-L296 WeakPolarHBondContact O-CG 3.48Å; I292-L296 PolarHBondContact O-N 3.03Å; A293-L296 PolarHBondContact O-N 3.3Å; L296-T298 VanDerWaalsContact C-N 3.34Å; L296-T298 PolarHBondContact O-N 2.93Å; L296-A299 PolarHBondContact O-N 3.5Å; L296-L300 WeakPolarHBondContact O-CG 3.34Å; L296-L300 PolarHBondContact O-N 3.07Å |
| 297 | L | 87.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.2 | -39.7 | 175.9 | -174.5 | 60.4 | 0 | 0 | 0 | 111.9 | A293 A294 R295 L300 Y301 L333 L340 H374 | A293-L297 WeakPolarHBondContact O-CB 3.31Å; A293-L297 PolarHBondContact O-N 3.4Å; A294-L297 PolarHBondContact O-N 3.16Å; R295-L297 VanDerWaalsContact C-N 3.34Å; L297-L300 HydrophobicContact CD1-CD1 4.47Å; L297-L300 WeakPolarHBondContact O-CB 3.39Å; L297-L300 PolarHBondContact O-N 2.92Å; L297-Y301 HydrophobicContact CD1-CE2 4.26Å; L297-Y301 HydrophobicContact CG-CE2 4.01Å; L297-Y301 WeakPolarHBondContact O-CD2 3.24Å; L297-Y301 PolarHBondContact O-N 2.87Å; L297-L333 HydrophobicContact CD1-CD2 3.66Å; L297-L340 HydrophobicContact CD2-CD1 3.7Å; L297-H374 HydrophobicContact CD2-CB 3.77Å |
| 298 | T | 87.6 | Confident | 80.8 | Confident | 62 Ų | 62 | 42.1 Ų | 42.1 | 38% | 0.38 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 174 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | A294 R295 L296 L300 Y301 S302 H374 | A294-T298 WeakPolarHBondContact O-CB 3.5Å; A294-T298 PolarHBondContact O-N 2.66Å; A294-T298 PolarHBondContact O-OG1 3.08Å; R295-T298 PolarHBondContact O-N 3.26Å; L296-T298 VanDerWaalsContact C-N 3.34Å; L296-T298 PolarHBondContact O-N 2.93Å; T298-L300 VanDerWaalsContact C-N 3.35Å; T298-L300 PolarHBondContact O-N 3.37Å; T298-Y301 PolarHBondContact O-N 3.26Å; T298-S302 PolarHBondContact O-N 3.27Å; T298-H374 PolarHBondContact OG1-CE1 2.9Å |
| 299 | A | 88 | Confident | 79 | Confident | 27 Ų | 27 | 46.7 Ų | 46.7 | 22% | 0.223 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64 | -37.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L257 R295 L296 Y301 S302 C303 | L257-A299 HydrophobicContact CD1-CB 4.13Å; R295-A299 WeakPolarHBondContact O-CB 3.27Å; R295-A299 PolarHBondContact O-N 3.33Å; L296-A299 PolarHBondContact O-N 3.5Å; A299-Y301 VanDerWaalsContact C-N 3.27Å; A299-Y301 PolarHBondContact O-N 2.61Å; A299-S302 WeakPolarHBondContact CA-OG 3.34Å; A299-S302 PolarHBondContact O-N 3.42Å; A299-S302 VanDerWaalsContact O-N 3.08Å; A299-S302 PolarHBondContact O-OG 2.9Å; A299-C303 PolarHBondContact O-N 3.29Å; A299-C303 VanDerWaalsContact O-N 3.16Å; A299-C303 PolarHBondContact O-SG 3.4Å; A299-C303 VanDerWaalsContact O-SG 3.4Å |
| 300 | L | 88.3 | Confident | 77.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -35.4 | 174.5 | -76.2 | 177.8 | 0 | 0 | 0 | 112.7 | F272 F275 F279 L296 L297 T298 S302 C303 W329 A332 L333 | F272-L300 HydrophobicContact CD1-CD2 3.88Å; F272-L300 HydrophobicContact CE1-CD2 4.01Å; F275-L300 HydrophobicContact CB-CD1 4.15Å; F275-L300 HydrophobicContact CB-CD2 4.44Å; F275-L300 HydrophobicContact CD1-CD1 3.66Å; F275-L300 HydrophobicContact CD1-CD2 3.87Å; F275-L300 HydrophobicContact CD1-CG 3.86Å; F275-L300 HydrophobicContact CD2-CD2 3.73Å; F275-L300 HydrophobicContact CE1-CD1 4.19Å; F275-L300 HydrophobicContact CE1-CD2 3.92Å; F275-L300 HydrophobicContact CE1-CG 3.9Å; F275-L300 HydrophobicContact CE2-CD2 3.8Å; F275-L300 HydrophobicContact CG-CD1 3.97Å; F275-L300 HydrophobicContact CG-CD2 3.76Å; F275-L300 HydrophobicContact CG-CG 4.21Å; F275-L300 HydrophobicContact CZ-CD2 3.89Å; F275-L300 HydrophobicContact CZ-CG 4.31Å; F279-L300 HydrophobicContact CE2-CD1 4.29Å; L296-L300 WeakPolarHBondContact O-CG 3.34Å; L296-L300 PolarHBondContact O-N 3.07Å; L297-L300 HydrophobicContact CD1-CD1 4.47Å; L297-L300 WeakPolarHBondContact O-CB 3.39Å; L297-L300 PolarHBondContact O-N 2.92Å; T298-L300 VanDerWaalsContact C-N 3.35Å; T298-L300 PolarHBondContact O-N 3.37Å; L300-S302 VanDerWaalsContact C-N 3.31Å; L300-S302 PolarHBondContact O-N 3.49Å; L300-C303 PolarHBondContact O-N 3.28Å; L300-W329 PolarHBondContact O-NE1 3.02Å; L300-A332 HydrophobicContact CD1-CB 4.14Å; L300-L333 HydrophobicContact CB-CD2 3.6Å; L300-L333 HydrophobicContact CD1-CD2 4.3Å |
| 301 | Y | 88 | Confident | 75.6 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.6 | -30.2 | 175 | -75.2 | -69.6 | 0 | 0 | 0 | 113.2 | L297 T298 A299 L333 H374 R377 L378 T381 | L297-Y301 HydrophobicContact CD1-CE2 4.26Å; L297-Y301 HydrophobicContact CG-CE2 4.01Å; L297-Y301 WeakPolarHBondContact O-CD2 3.24Å; L297-Y301 PolarHBondContact O-N 2.87Å; T298-Y301 PolarHBondContact O-N 3.26Å; A299-Y301 VanDerWaalsContact C-N 3.27Å; A299-Y301 PolarHBondContact O-N 2.61Å; Y301-L333 HydrophobicContact CD1-CD1 4.05Å; Y301-L333 HydrophobicContact CD1-CD2 4.06Å; Y301-L333 HydrophobicContact CD2-CD2 4.19Å; Y301-L333 HydrophobicContact CE1-CD1 3.75Å; Y301-L333 HydrophobicContact CE1-CD2 3.93Å; Y301-L333 HydrophobicContact CE1-CG 4.47Å; Y301-L333 HydrophobicContact CE2-CD2 4.07Å; Y301-L333 HydrophobicContact CG-CD2 4.18Å; Y301-H374 PolarHBondContact OH-O 3Å; Y301-R377 HydrophobicContact CD1-CG 4.45Å; Y301-R377 HydrophobicContact CE1-CG 4.01Å; Y301-R377 HydrophobicContact CE2-CG 4.25Å; Y301-L378 WeakPolarHBondContact OH-CA 3.42Å; Y301-L378 VanDerWaalsContact OH-CB 3.27Å; Y301-L378 WeakPolarHBondContact OH-CB 3.37Å; Y301-L378 PolarHBondContact OH-N 3.16Å; Y301-T381 HydrophobicContact CD1-CG2 4.31Å; Y301-T381 HydrophobicContact CE1-CG2 4.06Å |
| 302 | S | 84.3 | Confident | 73.7 | Confident | 96 Ų | 96 | 50.8 Ų | 50.8 | 67% | 0.671 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -76.2 | -26.3 | 174.1 | 44.7 | 0 | 0 | 0 | 0 | 113.5 | T298 A299 L300 R304 | T298-S302 PolarHBondContact O-N 3.27Å; A299-S302 WeakPolarHBondContact CA-OG 3.34Å; A299-S302 PolarHBondContact O-N 3.42Å; A299-S302 VanDerWaalsContact O-N 3.08Å; A299-S302 PolarHBondContact O-OG 2.9Å; L300-S302 VanDerWaalsContact C-N 3.31Å; L300-S302 PolarHBondContact O-N 3.49Å; S302-R304 VanDerWaalsContact C-N 3.28Å; S302-R304 PolarHBondContact O-N 3.38Å |
| 303 | C | 83.7 | Confident | 71.4 | Confident | 24 Ų | 24 | 57.4 Ų | 57.4 | 16% | 0.162 | 31% | 0.308 | C | S | . | . | trans | -90.6 | 36.6 | -178.6 | -61.4 | 0 | 0 | 0 | 0 | 113.1 | A260 F272 A299 L300 P305 | A260-C303 HydrophobicContact CB-CB 4.11Å; F272-C303 HydrophobicContact CE1-CB 4.47Å; F272-C303 WeakPolarHBondContact CZ-O 3.42Å; A299-C303 PolarHBondContact O-N 3.29Å; A299-C303 VanDerWaalsContact O-N 3.16Å; A299-C303 PolarHBondContact O-SG 3.4Å; A299-C303 VanDerWaalsContact O-SG 3.4Å; L300-C303 PolarHBondContact O-N 3.28Å; C303-P305 WeakPolarHBondContact O-CD 3.18Å | ||
| 304 | R | 83.4 | Confident | 68.8 | Low | 81 Ų | 81 | 62.1 Ų | 62.1 | 31% | 0.306 | 34% | 0.341 | S | S | . | . | trans | -61.1 | 122.7 | 177.4 | 178.4 | 179 | 167.4 | 82.4 | -2.4 | 109.1 | S302 D307 W329 | S302-R304 VanDerWaalsContact C-N 3.28Å; S302-R304 PolarHBondContact O-N 3.38Å; R304-D307 IonicContact NE-OD1 3.1Å; R304-D307 IonicContact NH2-OD1 3.34Å; R304-W329 HydrophobicContact CB-CZ2 4.04Å; R304-W329 HydrophobicContact CG-CH2 4.27Å; R304-W329 HydrophobicContact CG-CZ2 4.19Å | ||
| 305 | P | 74.7 | Confident | 66.6 | Low | 18 Ų | 18 | 64.9 Ų | 64.9 | 12% | 0.117 | 36% | 0.36 | C | S | . | . | trans | -63.3 | 146.2 | 178.3 | 24.4 | -31.1 | 0 | 0 | 0 | 110.7 | F272 C303 L326 W329 | F272-P305 HydrophobicContact CE2-CB 4.39Å; F272-P305 HydrophobicContact CE2-CG 4.08Å; C303-P305 WeakPolarHBondContact O-CD 3.18Å; P305-L326 HydrophobicContact CG-CD2 3.64Å; P305-L326 HydrophobicContact CG-CG 3.93Å; P305-W329 HydrophobicContact CG-CB 4.19Å; P305-W329 HydrophobicContact CG-CG 4.4Å | ||
| 306 | N | 65.6 | Low | 64.4 | Low | 118 Ų | 118 | 64.7 Ų | 64.7 | 63% | 0.631 | 37% | 0.374 | S | S | * | . | trans | -45.4 | 145.9 | -172.6 | -69.9 | -21.2 | 0 | 0 | 0 | 113.6 | ||||
| 307 | D | 52.7 | Low | 62 | Low | 90 Ų | 90 | 69.4 Ų | 69.4 | 48% | 0.481 | 40% | 0.4 | S | S | . | . | trans | -56.5 | 142.9 | -171.6 | -77 | -42.5 | 0 | 0 | 0 | 113.2 | R304 N309 V310 | R304-D307 IonicContact NE-OD1 3.1Å; R304-D307 IonicContact NH2-OD1 3.34Å; D307-N309 PolarHBondContact O-N 3.42Å; D307-V310 PolarHBondContact O-N 2.86Å | ||
| 308 | P | 48.1 | Very low | 59.7 | Low | 6 Ų | 6 | 77.3 Ų | 77.3 | 4% | 0.039 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -53.2 | -23.6 | 175.9 | 22 | -33.4 | 0 | 0 | 0 | 113.5 | V310 F311 T312 P390 L391 | P308-V310 PolarHBondContact O-N 3.38Å; P308-F311 WeakPolarHBondContact O-CB 3.21Å; P308-F311 PolarHBondContact O-N 2.9Å; P308-T312 PolarHBondContact O-N 3.15Å; P308-P390 HydrophobicContact CG-CG 4.36Å; P308-L391 HydrophobicContact CB-CD1 3.34Å; P308-L391 HydrophobicContact CB-CG 3.81Å |
| 309 | N | 46.5 | Very low | 57.8 | Low | 96 Ų | 96 | 78.5 Ų | 78.5 | 51% | 0.513 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.5 | -25.6 | 177.4 | -65.9 | -6.5 | 0 | 0 | 0 | 113.3 | D307 F311 T312 P390 | D307-N309 PolarHBondContact O-N 3.42Å; N309-F311 VanDerWaalsContact C-N 3.33Å; N309-T312 PolarHBondContact O-OG1 3Å; N309-P390 WeakPolarHBondContact OD1-CG 3.44Å |
| 310 | V | 47.6 | Very low | 56 | Low | 92 Ų | 92 | 80 Ų | 80 | 56% | 0.558 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -75 | -29.8 | 173.4 | -176.3 | 0 | 0 | 0 | 0 | 110.4 | D307 P308 | D307-V310 PolarHBondContact O-N 2.86Å; P308-V310 PolarHBondContact O-N 3.38Å |
| 311 | F | 45.4 | Very low | 54.6 | Low | 74 Ų | 74 | 81.7 Ų | 81.7 | 33% | 0.325 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -76.1 | -23.1 | -179.3 | -67.9 | -79.3 | 0 | 0 | 0 | 113.8 | P308 N309 I313 S314 S315 | P308-F311 WeakPolarHBondContact O-CB 3.21Å; P308-F311 PolarHBondContact O-N 2.9Å; N309-F311 VanDerWaalsContact C-N 3.33Å; F311-I313 PolarHBondContact O-N 3.28Å; F311-S314 PolarHBondContact O-N 3.05Å; F311-S315 PolarHBondContact O-OG 3.19Å |
| 312 | T | 43.5 | Very low | 53.6 | Low | 89 Ų | 89 | 81 Ų | 81 | 55% | 0.546 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -23.3 | 177.6 | 54.3 | 0 | 0 | 0 | 0 | 112.8 | P308 N309 L391 | P308-T312 PolarHBondContact O-N 3.15Å; N309-T312 PolarHBondContact O-OG1 3Å; T312-L391 HydrophobicContact CG2-CD2 4.28Å |
| 313 | I | 36.3 | Very low | 53.1 | Low | 150 Ų | 150 | 77.5 Ų | 77.5 | 77% | 0.769 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -20.2 | -178.7 | -57.1 | 176.5 | 0 | 0 | 0 | 112.3 | F311 | F311-I313 PolarHBondContact O-N 3.28Š|
| 314 | S | 33.6 | Very low | 53 | Low | 98 Ų | 98 | 80.2 Ų | 80.2 | 69% | 0.685 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -111.7 | 10.6 | -168.5 | -60.6 | 0 | 0 | 0 | 0 | 117 | F311 | F311-S314 PolarHBondContact O-N 3.05Š|
| 315 | S | 39.7 | Very low | 52.9 | Low | 66 Ų | 66 | 76.6 Ų | 76.6 | 46% | 0.462 | 44% | 0.441 | S | S | . | . | trans | -123.8 | 80.5 | -171 | -51.6 | 0 | 0 | 0 | 0 | 114.6 | F311 | F311-S315 PolarHBondContact O-OG 3.19Š| ||
| 316 | T | 39.4 | Very low | 53.4 | Low | 138 Ų | 138 | 75.9 Ų | 75.9 | 85% | 0.847 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -83.7 | -4.1 | 148.5 | 54.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 317 | N | 38.7 | Very low | 54.3 | Low | 114 Ų | 114 | 71.9 Ų | 71.9 | 61% | 0.61 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -108.2 | 132.2 | 176.4 | -66.6 | -19.3 | 0 | 0 | 0 | 108.9 | T319 | N317-T319 PolarHBondContact O-N 3.23Š|
| 318 | N | 39.6 | Very low | 56 | Low | 165 Ų | 165 | 68.4 Ų | 68.4 | 88% | 0.882 | 40% | 0.399 | S | S | * | . | trans | -59.6 | 30 | -180 | -82.6 | -20.9 | 0 | 0 | 0 | 115.7 | C320 | N318-C320 PolarHBondContact O-N 3.39Š| ||
| 319 | T | 46.4 | Very low | 58 | Low | 87 Ų | 87 | 68.5 Ų | 68.5 | 53% | 0.534 | 40% | 0.399 | S | S | . | . | trans | -91 | 80.1 | -179.9 | 53.4 | 0 | 0 | 0 | 0 | 109.6 | N317 T321 | N317-T319 PolarHBondContact O-N 3.23Å; T319-T321 PolarHBondContact O-N 3.08Å | ||
| 320 | C | 50.3 | Low | 60 | Low | 60 Ų | 60 | 64.1 Ų | 64.1 | 41% | 0.405 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 17.8 | 174.4 | -54.3 | 0 | 0 | 0 | 0 | 114.5 | N318 G322 V323 D324 | N318-C320 PolarHBondContact O-N 3.39Å; C320-G322 VanDerWaalsContact C-N 3.27Å; C320-G322 PolarHBondContact O-N 3.32Å; C320-V323 WeakPolarHBondContact O-CB 3.42Å; C320-V323 PolarHBondContact O-N 3.49Å; C320-D324 PolarHBondContact O-N 3.38Å |
| 321 | T | 58.7 | Low | 62 | Low | 35 Ų | 35 | 62 Ų | 62 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.3 | -27.5 | -167.2 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | P265 L266 T319 D324 A325 | P265-T321 VanDerWaalsContact CG-CB 3.49Å; P265-T321 HydrophobicContact CG-CG2 4.4Å; P265-T321 WeakPolarHBondContact CG-OG1 3.38Å; L266-T321 HydrophobicContact CD2-CG2 4.2Å; T319-T321 PolarHBondContact O-N 3.08Å; T321-D324 PolarHBondContact O-N 2.83Å; T321-A325 PolarHBondContact O-N 2.86Å |
| 322 | G | 67.2 | Low | 64.2 | Low | 4 Ų | 4 | 58.4 Ų | 58.4 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68 | -36.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | C320 A325 L326 | C320-G322 VanDerWaalsContact C-N 3.27Å; C320-G322 PolarHBondContact O-N 3.32Å; G322-A325 PolarHBondContact O-N 2.97Å; G322-L326 PolarHBondContact O-N 3.07Å; G322-L326 VanDerWaalsContact O-N 3.15Å |
| 323 | V | 74.1 | Confident | 66.4 | Low | 23 Ų | 23 | 54.2 Ų | 54.2 | 14% | 0.139 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 175.5 | 175 | 0 | 0 | 0 | 0 | 110 | C320 A325 L326 V327 L391 L394 | C320-V323 WeakPolarHBondContact O-CB 3.42Å; C320-V323 PolarHBondContact O-N 3.49Å; V323-A325 VanDerWaalsContact C-N 3.3Å; V323-A325 PolarHBondContact O-N 3.46Å; V323-L326 WeakPolarHBondContact O-CB 3.43Å; V323-L326 PolarHBondContact O-N 3.18Å; V323-V327 HydrophobicContact CG1-CG2 4.3Å; V323-V327 WeakPolarHBondContact O-CG2 3.44Å; V323-V327 PolarHBondContact O-N 3.3Å; V323-L391 HydrophobicContact CG2-CD1 4.04Å; V323-L394 HydrophobicContact CG1-CD2 3.67Å; V323-L394 HydrophobicContact CG1-CG 3.9Å |
| 324 | D | 80.9 | Confident | 68.9 | Low | 81 Ų | 81 | 47.2 Ų | 47.2 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.1 | -36 | 177.8 | -65.3 | -31.3 | 0 | 0 | 0 | 112.5 | T269 C320 T321 S328 | T269-D324 HydrophobicContact CG2-CB 4.48Å; C320-D324 PolarHBondContact O-N 3.38Å; T321-D324 PolarHBondContact O-N 2.83Å; D324-S328 VanDerWaalsContact O-CB 3.28Å; D324-S328 WeakPolarHBondContact O-CB 3.39Å; D324-S328 PolarHBondContact O-N 3.43Å; D324-S328 PolarHBondContact O-OG 2.85Å |
| 325 | A | 82.7 | Confident | 71.5 | Confident | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.033 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.5 | -45.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V268 T269 T321 G322 V323 S328 W329 | V268-A325 HydrophobicContact CB-CB 4.44Å; V268-A325 HydrophobicContact CG1-CB 4.07Å; T269-A325 WeakPolarHBondContact OG1-CA 3.49Å; T269-A325 PolarHBondContact OG1-N 3.07Å; T321-A325 PolarHBondContact O-N 2.86Å; G322-A325 PolarHBondContact O-N 2.97Å; V323-A325 VanDerWaalsContact C-N 3.3Å; V323-A325 PolarHBondContact O-N 3.46Å; A325-S328 PolarHBondContact O-N 3.4Å; A325-W329 WeakPolarHBondContact O-CB 3.24Å; A325-W329 PolarHBondContact O-N 2.71Å |
| 326 | L | 83.9 | Confident | 73.9 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 174.6 | -84.1 | 164.7 | 0 | 0 | 0 | 112.4 | P305 G322 V323 S328 W329 M330 L394 | P305-L326 HydrophobicContact CG-CD2 3.64Å; P305-L326 HydrophobicContact CG-CG 3.93Å; G322-L326 PolarHBondContact O-N 3.07Å; G322-L326 VanDerWaalsContact O-N 3.15Å; V323-L326 WeakPolarHBondContact O-CB 3.43Å; V323-L326 PolarHBondContact O-N 3.18Å; L326-S328 VanDerWaalsContact C-N 3.3Å; L326-S328 PolarHBondContact O-N 3.2Å; L326-W329 WeakPolarHBondContact O-CB 3.47Å; L326-W329 PolarHBondContact O-N 3.36Å; L326-M330 VanDerWaalsContact O-CG 3.31Å; L326-M330 WeakPolarHBondContact O-CG 3.41Å; L326-M330 PolarHBondContact O-N 2.96Å; L326-L394 HydrophobicContact CB-CD2 4.32Å; L326-L394 HydrophobicContact CD1-CD1 3.92Å |
| 327 | V | 85.5 | Confident | 76.2 | Confident | 34 Ų | 34 | 33.3 Ų | 33.3 | 21% | 0.206 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.7 | -41.7 | 176.8 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | V323 M330 L331 L394 P397 | V323-V327 HydrophobicContact CG1-CG2 4.3Å; V323-V327 WeakPolarHBondContact O-CG2 3.44Å; V323-V327 PolarHBondContact O-N 3.3Å; V327-M330 PolarHBondContact O-N 3.43Å; V327-L331 HydrophobicContact CG1-CD1 4.03Å; V327-L331 HydrophobicContact CG1-CG 4.44Å; V327-L331 WeakPolarHBondContact O-CB 3.38Å; V327-L331 VanDerWaalsContact O-CG 3.24Å; V327-L331 WeakPolarHBondContact O-CG 3.49Å; V327-L331 PolarHBondContact O-N 3.41Å; V327-L394 HydrophobicContact CG2-CD2 3.85Å; V327-P397 HydrophobicContact CG2-CG 4.41Å |
| 328 | S | 87.2 | Confident | 78.5 | Confident | 18 Ų | 18 | 29.7 Ų | 29.7 | 13% | 0.126 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.2 | -39.4 | 177.9 | -61.3 | 0 | 0 | 0 | 0 | 112.4 | T269 D324 A325 L326 L331 A332 | T269-S328 VanDerWaalsContact CG2-OG 3.25Å; T269-S328 WeakPolarHBondContact CG2-OG 3.47Å; D324-S328 VanDerWaalsContact O-CB 3.28Å; D324-S328 WeakPolarHBondContact O-CB 3.39Å; D324-S328 PolarHBondContact O-N 3.43Å; D324-S328 PolarHBondContact O-OG 2.85Å; A325-S328 PolarHBondContact O-N 3.4Å; L326-S328 VanDerWaalsContact C-N 3.3Å; L326-S328 PolarHBondContact O-N 3.2Å; S328-L331 PolarHBondContact O-N 2.98Å; S328-A332 WeakPolarHBondContact O-CB 3.35Å; S328-A332 PolarHBondContact O-N 3.07Å |
| 329 | W | 91.1 | Very high | 80.8 | Confident | 7 Ų | 7 | 22.7 Ų | 22.7 | 3% | 0.027 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59 | -48.7 | 172 | 173.3 | 76.2 | 0 | 0 | 0 | 111.7 | F272 L300 R304 P305 A325 L326 L331 A332 L333 | F272-W329 HydrophobicContact CD1-CB 4.17Å; F272-W329 AromaticContact CD1-CD1 3.88Å; F272-W329 HydrophobicContact CD1-CG 4.46Å; F272-W329 HydrophobicContact CD2-CB 3.65Å; F272-W329 HydrophobicContact CE1-CB 4.32Å; F272-W329 AromaticContact CE1-CD1 3.49Å; F272-W329 VanDerWaalsContact CE1-CD1 3.49Å; F272-W329 HydrophobicContact CE1-CG 4.29Å; F272-W329 HydrophobicContact CE2-CB 3.76Å; F272-W329 HydrophobicContact CE2-CG 4.33Å; F272-W329 HydrophobicContact CG-CB 3.86Å; F272-W329 HydrophobicContact CZ-CB 4.12Å; F272-W329 AromaticContact CZ-CD1 3.67Å; F272-W329 HydrophobicContact CZ-CG 4.22Å; L300-W329 PolarHBondContact O-NE1 3.02Å; R304-W329 HydrophobicContact CB-CZ2 4.04Å; R304-W329 HydrophobicContact CG-CH2 4.27Å; R304-W329 HydrophobicContact CG-CZ2 4.19Å; P305-W329 HydrophobicContact CG-CB 4.19Å; P305-W329 HydrophobicContact CG-CG 4.4Å; A325-W329 WeakPolarHBondContact O-CB 3.24Å; A325-W329 PolarHBondContact O-N 2.71Å; L326-W329 WeakPolarHBondContact O-CB 3.47Å; L326-W329 PolarHBondContact O-N 3.36Å; W329-L331 VanDerWaalsContact C-N 3.33Å; W329-L331 PolarHBondContact O-N 3.47Å; W329-A332 WeakPolarHBondContact O-CB 3.31Å; W329-A332 PolarHBondContact O-N 3.2Å; W329-L333 HydrophobicContact CD2-CD1 4.02Å; W329-L333 HydrophobicContact CE3-CD1 4.25Å; W329-L333 HydrophobicContact CH2-CD1 3.64Å; W329-L333 HydrophobicContact CZ2-CD1 3.41Å; W329-L333 VanDerWaalsContact CZ2-CD1 3.41Å; W329-L333 HydrophobicContact CZ2-CG 4.44Å; W329-L333 HydrophobicContact CZ3-CD1 4.05Å; W329-L333 PolarHBondContact O-N 3.47Å |
| 330 | M | 88.9 | Confident | 82.7 | Confident | 4 Ų | 4 | 18.8 Ų | 18.8 | 2% | 0.02 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.2 | -44.5 | 175.4 | -68.3 | 164.5 | 53.8 | 0 | 0 | 111.4 | L326 V327 A332 L333 I334 L382 L385 V398 | L326-M330 VanDerWaalsContact O-CG 3.31Å; L326-M330 WeakPolarHBondContact O-CG 3.41Å; L326-M330 PolarHBondContact O-N 2.96Å; V327-M330 PolarHBondContact O-N 3.43Å; M330-A332 VanDerWaalsContact C-N 3.32Å; M330-A332 PolarHBondContact O-N 3.33Å; M330-L333 PolarHBondContact O-N 3.15Å; M330-I334 HydrophobicContact CB-CD1 4.4Å; M330-I334 WeakPolarHBondContact O-CB 3.47Å; M330-I334 WeakPolarHBondContact O-CD1 3.46Å; M330-I334 WeakPolarHBondContact O-CG1 3.45Å; M330-I334 PolarHBondContact O-N 3.12Å; M330-L382 HydrophobicContact CB-CD2 4.33Å; M330-L382 HydrophobicContact CE-CD2 3.79Å; M330-L382 HydrophobicContact CG-CD2 3.93Å; M330-L382 HydrophobicContact SD-CD2 4.44Å; M330-L385 HydrophobicContact CE-CD2 4.47Å; M330-L385 HydrophobicContact CG-CD2 4.19Å; M330-L385 HydrophobicContact SD-CD2 3.64Å; M330-V398 HydrophobicContact CE-CB 3.9Å; M330-V398 HydrophobicContact CE-CG1 4.3Å; M330-V398 HydrophobicContact CE-CG2 3.29Å; M330-V398 HydrophobicContact SD-CG2 3.86Å |
| 331 | L | 89.4 | Confident | 84.3 | Confident | 47 Ų | 47 | 16.1 Ų | 16.1 | 25% | 0.246 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.2 | -40.2 | 178.3 | -72.8 | 170 | 0 | 0 | 0 | 111.9 | K276 V327 S328 W329 I334 S335 K401 | K276-L331 HydrophobicContact CD-CB 3.84Å; K276-L331 HydrophobicContact CD-CD1 4.42Å; K276-L331 HydrophobicContact CG-CB 4.39Å; V327-L331 HydrophobicContact CG1-CD1 4.03Å; V327-L331 HydrophobicContact CG1-CG 4.44Å; V327-L331 WeakPolarHBondContact O-CB 3.38Å; V327-L331 VanDerWaalsContact O-CG 3.24Å; V327-L331 WeakPolarHBondContact O-CG 3.49Å; V327-L331 PolarHBondContact O-N 3.41Å; S328-L331 PolarHBondContact O-N 2.98Å; W329-L331 VanDerWaalsContact C-N 3.33Å; W329-L331 PolarHBondContact O-N 3.47Å; L331-I334 PolarHBondContact O-N 2.73Å; L331-S335 WeakPolarHBondContact O-CB 3.44Å; L331-S335 PolarHBondContact O-N 3.41Å; L331-S335 PolarHBondContact O-OG 3.06Å; L331-K401 HydrophobicContact CD2-CD 3.97Å |
| 332 | A | 90.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62 | -47.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F272 F275 K276 L300 S328 W329 M330 I334 G336 | F272-A332 HydrophobicContact CB-CB 4.19Å; F272-A332 WeakPolarHBondContact O-CB 3.26Å; F275-A332 HydrophobicContact CB-CB 3.87Å; K276-A332 HydrophobicContact CB-CB 4.43Å; L300-A332 HydrophobicContact CD1-CB 4.14Å; S328-A332 WeakPolarHBondContact O-CB 3.35Å; S328-A332 PolarHBondContact O-N 3.07Å; W329-A332 WeakPolarHBondContact O-CB 3.31Å; W329-A332 PolarHBondContact O-N 3.2Å; M330-A332 VanDerWaalsContact C-N 3.32Å; M330-A332 PolarHBondContact O-N 3.33Å; A332-I334 VanDerWaalsContact C-N 3.26Å; A332-I334 PolarHBondContact O-N 3.41Å; A332-G336 PolarHBondContact O-N 3.36Å |
| 333 | L | 90.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.7 | -42.2 | 176.1 | -74.3 | -179.3 | 0 | 0 | 0 | 111.7 | L297 L300 Y301 W329 M330 G336 C337 L378 | L297-L333 HydrophobicContact CD1-CD2 3.66Å; L300-L333 HydrophobicContact CB-CD2 3.6Å; L300-L333 HydrophobicContact CD1-CD2 4.3Å; Y301-L333 HydrophobicContact CD1-CD1 4.05Å; Y301-L333 HydrophobicContact CD1-CD2 4.06Å; Y301-L333 HydrophobicContact CD2-CD2 4.19Å; Y301-L333 HydrophobicContact CE1-CD1 3.75Å; Y301-L333 HydrophobicContact CE1-CD2 3.93Å; Y301-L333 HydrophobicContact CE1-CG 4.47Å; Y301-L333 HydrophobicContact CE2-CD2 4.07Å; Y301-L333 HydrophobicContact CG-CD2 4.18Å; W329-L333 HydrophobicContact CD2-CD1 4.02Å; W329-L333 HydrophobicContact CE3-CD1 4.25Å; W329-L333 HydrophobicContact CH2-CD1 3.64Å; W329-L333 HydrophobicContact CZ2-CD1 3.41Å; W329-L333 VanDerWaalsContact CZ2-CD1 3.41Å; W329-L333 HydrophobicContact CZ2-CG 4.44Å; W329-L333 HydrophobicContact CZ3-CD1 4.05Å; W329-L333 PolarHBondContact O-N 3.47Å; M330-L333 PolarHBondContact O-N 3.15Å; L333-G336 PolarHBondContact O-N 3.3Å; L333-C337 PolarHBondContact O-N 3.45Å; L333-L378 HydrophobicContact CB-CD1 3.82Å; L333-L378 HydrophobicContact CD1-CD1 4.26Å |
| 334 | I | 89.2 | Confident | 86.4 | Confident | 4 Ų | 4 | 16.3 Ų | 16.3 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -76.1 | -41.5 | -173.8 | -63.6 | 157.7 | 0 | 0 | 0 | 111.5 | M330 L331 A332 G336 C337 A338 L378 L382 K401 L405 | M330-I334 HydrophobicContact CB-CD1 4.4Å; M330-I334 WeakPolarHBondContact O-CB 3.47Å; M330-I334 WeakPolarHBondContact O-CD1 3.46Å; M330-I334 WeakPolarHBondContact O-CG1 3.45Å; M330-I334 PolarHBondContact O-N 3.12Å; L331-I334 PolarHBondContact O-N 2.73Å; A332-I334 VanDerWaalsContact C-N 3.26Å; A332-I334 PolarHBondContact O-N 3.41Å; I334-G336 PolarHBondContact O-N 3.38Å; I334-C337 PolarHBondContact O-N 3.3Å; I334-A338 WeakPolarHBondContact O-CB 3.43Å; I334-A338 PolarHBondContact O-N 3Å; I334-L378 HydrophobicContact CB-CD2 4.35Å; I334-L378 HydrophobicContact CG1-CD1 3.94Å; I334-L378 HydrophobicContact CG1-CD2 3.76Å; I334-L378 HydrophobicContact CG1-CG 4.29Å; I334-L382 HydrophobicContact CD1-CD1 3.7Å; I334-L382 HydrophobicContact CD1-CD2 4.45Å; I334-L382 HydrophobicContact CG1-CD1 4.08Å; I334-K401 HydrophobicContact CD1-CB 4.27Å; I334-K401 HydrophobicContact CD1-CD 3.89Å; I334-K401 HydrophobicContact CD1-CG 3.09Å; I334-K401 HydrophobicContact CG1-CG 4.32Å; I334-K401 HydrophobicContact CG2-CD 4.41Å; I334-L405 HydrophobicContact CB-CD2 4.43Å; I334-L405 HydrophobicContact CD1-CD1 4.3Å; I334-L405 HydrophobicContact CG1-CD1 4.08Å; I334-L405 HydrophobicContact CG1-CD2 4.43Å; I334-L405 HydrophobicContact CG1-CG 4.41Å; I334-L405 HydrophobicContact CG2-CD1 4.44Å; I334-L405 HydrophobicContact CG2-CD2 3.42Å; I334-L405 VanDerWaalsContact CG2-CD2 3.42Å; I334-L405 HydrophobicContact CG2-CG 3.85Å |
| 335 | S | 88.7 | Confident | 86.3 | Confident | 10 Ų | 10 | 14 Ų | 14 | 7% | 0.07 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.3 | -38.8 | 170.8 | -72.9 | 0 | 0 | 0 | 0 | 110.8 | K276 D280 L331 A338 Y339 | K276-S335 WeakPolarHBondContact CG-OG 3.27Å; D280-S335 VanDerWaalsContact OD1-CB 3.27Å; D280-S335 WeakPolarHBondContact OD1-CB 3.48Å; D280-S335 PolarHBondContact OD1-OG 3.02Å; L331-S335 WeakPolarHBondContact O-CB 3.44Å; L331-S335 PolarHBondContact O-N 3.41Å; L331-S335 PolarHBondContact O-OG 3.06Å; S335-A338 PolarHBondContact O-N 3.48Å; S335-Y339 WeakPolarHBondContact O-CB 3.47Å; S335-Y339 PolarHBondContact O-N 2.83Å |
| 336 | G | 88.4 | Confident | 86 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.5 | -51.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F279 A332 L333 I334 Y339 L340 | F279-G336 VanDerWaalsContact CD2-CA 3.42Å; A332-G336 PolarHBondContact O-N 3.36Å; L333-G336 PolarHBondContact O-N 3.3Å; I334-G336 PolarHBondContact O-N 3.38Å; G336-Y339 PolarHBondContact O-N 2.61Å; G336-L340 PolarHBondContact O-N 3.37Å; G336-L340 VanDerWaalsContact O-N 3.08Å |
| 337 | C | 87.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.8 | -43.4 | 175 | -74.5 | 0 | 0 | 0 | 0 | 112.2 | L333 I334 Y339 L340 C341 L378 | L333-C337 PolarHBondContact O-N 3.45Å; I334-C337 PolarHBondContact O-N 3.3Å; C337-Y339 VanDerWaalsContact C-N 3.29Å; C337-Y339 PolarHBondContact O-N 2.86Å; C337-L340 PolarHBondContact O-N 2.86Å; C337-C341 WeakPolarHBondContact O-CB 3.48Å; C337-C341 PolarHBondContact O-N 3.18Å; C337-C341 PolarHBondContact O-SG 3.15Å; C337-C341 VanDerWaalsContact O-SG 3.34Å; C337-L378 HydrophobicContact CB-CD2 3.47Å; C337-L378 VanDerWaalsContact CB-CD2 3.47Å; C337-L378 WeakPolarHBondContact SG-CD2 3.32Å |
| 338 | A | 87.9 | Confident | 84.8 | Confident | 37 Ų | 37 | 20.2 Ų | 20.2 | 31% | 0.306 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -63.3 | -35.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I334 S335 G342 V409 | I334-A338 WeakPolarHBondContact O-CB 3.43Å; I334-A338 PolarHBondContact O-N 3Å; S335-A338 PolarHBondContact O-N 3.48Å; A338-G342 WeakPolarHBondContact O-CA 3.14Å; A338-G342 PolarHBondContact O-N 2.87Å; A338-V409 HydrophobicContact CB-CG2 3.96Å |
| 339 | Y | 88.2 | Confident | 83.7 | Confident | 19 Ų | 19 | 26.1 Ų | 26.1 | 8% | 0.075 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.7 | -49.5 | 172.8 | 174.3 | -100.3 | 0 | 0 | 0 | 111.6 | F279 P283 L288 A293 S335 G336 C337 G342 L343 | F279-Y339 AromaticContact CD1-CD1 3.97Å; F279-Y339 HydrophobicContact CD1-CD1 3.97Å; F279-Y339 HydrophobicContact CD1-CG 4.1Å; F279-Y339 HydrophobicContact CE1-CD1 4.42Å; P283-Y339 HydrophobicContact CG-CE2 4.38Å; L288-Y339 HydrophobicContact CD2-CD1 4.39Å; L288-Y339 HydrophobicContact CD2-CE1 3.73Å; L288-Y339 HydrophobicContact CG-CE1 4.41Å; L288-Y339 PolarHBondContact O-OH 2.92Å; A293-Y339 HydrophobicContact CB-CD1 4.35Å; A293-Y339 HydrophobicContact CB-CE1 4.06Å; S335-Y339 WeakPolarHBondContact O-CB 3.47Å; S335-Y339 PolarHBondContact O-N 2.83Å; G336-Y339 PolarHBondContact O-N 2.61Å; C337-Y339 VanDerWaalsContact C-N 3.29Å; C337-Y339 PolarHBondContact O-N 2.86Å; Y339-G342 WeakPolarHBondContact O-CA 3.22Å; Y339-G342 PolarHBondContact O-N 3.07Å; Y339-G342 VanDerWaalsContact O-N 3.12Å; Y339-L343 HydrophobicContact CD1-CD1 4.08Å; Y339-L343 HydrophobicContact CE1-CD1 3.45Å; Y339-L343 VanDerWaalsContact CE1-CD1 3.45Å; Y339-L343 HydrophobicContact CE1-CG 4.27Å; Y339-L343 HydrophobicContact CE2-CD1 4.33Å; Y339-L343 HydrophobicContact CE2-CG 4.41Å; Y339-L343 WeakPolarHBondContact O-CG 3.48Å; Y339-L343 PolarHBondContact O-N 3.44Å |
| 340 | L | 85.7 | Confident | 82.2 | Confident | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 177.8 | -69.5 | 179 | 0 | 0 | 0 | 112.4 | I290 A293 L297 G336 C337 G342 L343 S344 A371 | I290-L340 HydrophobicContact CG2-CD2 4.39Å; A293-L340 HydrophobicContact CB-CD2 3.88Å; L297-L340 HydrophobicContact CD2-CD1 3.7Å; G336-L340 PolarHBondContact O-N 3.37Å; G336-L340 VanDerWaalsContact O-N 3.08Å; C337-L340 PolarHBondContact O-N 2.86Å; L340-G342 VanDerWaalsContact C-N 3.27Å; L340-G342 PolarHBondContact O-N 2.94Å; L340-L343 PolarHBondContact O-N 3.21Å; L340-S344 PolarHBondContact O-N 3.44Å; L340-A371 HydrophobicContact CB-CB 4.02Å |
| 341 | C | 84.5 | Confident | 80.4 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.3 | -31.9 | 173.7 | -67.7 | 0 | 0 | 0 | 0 | 112.1 | C337 S344 L345 V409 Q413 | C337-C341 WeakPolarHBondContact O-CB 3.48Å; C337-C341 PolarHBondContact O-N 3.18Å; C337-C341 PolarHBondContact O-SG 3.15Å; C337-C341 VanDerWaalsContact O-SG 3.34Å; C341-S344 WeakPolarHBondContact CA-OG 3.27Å; C341-S344 PolarHBondContact O-N 3.3Å; C341-S344 PolarHBondContact O-OG 2.91Å; C341-L345 WeakPolarHBondContact O-CB 3.45Å; C341-L345 PolarHBondContact O-N 3.38Å; C341-V409 HydrophobicContact CB-CG1 3.73Å; C341-Q413 HydrophobicContact CB-CG 4.1Å; C341-Q413 PolarHBondContact O-NE2 3.3Å |
| 342 | G | 83.8 | Confident | 78.4 | Confident | 30 Ų | 30 | 37.7 Ų | 37.7 | 31% | 0.309 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A338 Y339 L340 L345 L346 | A338-G342 WeakPolarHBondContact O-CA 3.14Å; A338-G342 PolarHBondContact O-N 2.87Å; Y339-G342 WeakPolarHBondContact O-CA 3.22Å; Y339-G342 PolarHBondContact O-N 3.07Å; Y339-G342 VanDerWaalsContact O-N 3.12Å; L340-G342 VanDerWaalsContact C-N 3.27Å; L340-G342 PolarHBondContact O-N 2.94Å; G342-L345 PolarHBondContact O-N 3.27Å; G342-L346 WeakPolarHBondContact O-CG 3.46Å; G342-L346 PolarHBondContact O-N 2.9Å |
| 343 | L | 80.3 | Confident | 76.5 | Confident | 35 Ų | 35 | 43.5 Ų | 43.5 | 18% | 0.183 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.7 | -41.7 | 174.1 | -70.2 | 177.1 | 0 | 0 | 0 | 112 | I290 Y339 L340 L345 L346 A347 | I290-L343 HydrophobicContact CG1-CD1 3.87Å; Y339-L343 HydrophobicContact CD1-CD1 4.08Å; Y339-L343 HydrophobicContact CE1-CD1 3.45Å; Y339-L343 VanDerWaalsContact CE1-CD1 3.45Å; Y339-L343 HydrophobicContact CE1-CG 4.27Å; Y339-L343 HydrophobicContact CE2-CD1 4.33Å; Y339-L343 HydrophobicContact CE2-CG 4.41Å; Y339-L343 WeakPolarHBondContact O-CG 3.48Å; Y339-L343 PolarHBondContact O-N 3.44Å; L340-L343 PolarHBondContact O-N 3.21Å; L343-L345 VanDerWaalsContact C-N 3.29Å; L343-L345 PolarHBondContact O-N 3.3Å; L343-L346 PolarHBondContact O-N 3.41Å; L343-A347 WeakPolarHBondContact O-CB 3.38Å; L343-A347 PolarHBondContact O-N 3Å |
| 344 | S | 79.9 | Confident | 74.6 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 175.3 | 74.9 | 0 | 0 | 0 | 0 | 111.4 | L340 C341 A347 V348 Q413 | L340-S344 PolarHBondContact O-N 3.44Å; C341-S344 WeakPolarHBondContact CA-OG 3.27Å; C341-S344 PolarHBondContact O-N 3.3Å; C341-S344 PolarHBondContact O-OG 2.91Å; S344-A347 PolarHBondContact O-N 3.35Å; S344-V348 WeakPolarHBondContact O-CG2 3.45Å; S344-V348 PolarHBondContact O-N 2.84Å; S344-V348 VanDerWaalsContact O-N 3.16Å; S344-Q413 PolarHBondContact OG-NE2 3.23Å; S344-Q413 VanDerWaalsContact OG-NE2 3.09Å; S344-Q413 PolarHBondContact OG-OE1 2.73Å; S344-Q413 VanDerWaalsContact OG-OE1 3.11Å |
| 345 | L | 78.9 | Confident | 72.8 | Confident | 33 Ų | 33 | 54 Ų | 54 | 17% | 0.173 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.2 | -41 | 177 | -176 | 61.3 | 0 | 0 | 0 | 112.6 | C341 G342 L343 V348 K349 S416 | C341-L345 WeakPolarHBondContact O-CB 3.45Å; C341-L345 PolarHBondContact O-N 3.38Å; G342-L345 PolarHBondContact O-N 3.27Å; L343-L345 VanDerWaalsContact C-N 3.29Å; L343-L345 PolarHBondContact O-N 3.3Å; L345-V348 PolarHBondContact O-N 3.27Å; L345-K349 HydrophobicContact CD1-CD 4.15Å; L345-K349 HydrophobicContact CD1-CG 4.36Å; L345-K349 HydrophobicContact CG-CD 4.1Å; L345-K349 WeakPolarHBondContact O-CB 3.35Å; L345-K349 WeakPolarHBondContact O-CG 3.41Å; L345-K349 PolarHBondContact O-N 3.23Å; L345-S416 WeakPolarHBondContact CD1-OG 3.47Å |
| 346 | L | 76.2 | Confident | 70.9 | Confident | 92 Ų | 92 | 56.8 Ų | 56.8 | 48% | 0.482 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 175 | -73.7 | 171.4 | 0 | 0 | 0 | 110.8 | G342 L343 V348 K349 T350 | G342-L346 WeakPolarHBondContact O-CG 3.46Å; G342-L346 PolarHBondContact O-N 2.9Å; L343-L346 PolarHBondContact O-N 3.41Å; L346-V348 PolarHBondContact O-N 3.31Å; L346-K349 PolarHBondContact O-N 3.46Å; L346-K349 VanDerWaalsContact O-N 3.1Å; L346-T350 WeakPolarHBondContact O-CG2 3.5Å; L346-T350 PolarHBondContact O-N 3.38Å; L346-T350 PolarHBondContact O-OG1 3.34Å |
| 347 | A | 72.6 | Confident | 69.1 | Low | 7 Ų | 7 | 64.5 Ų | 64.5 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.6 | -29.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L343 S344 I359 | L343-A347 WeakPolarHBondContact O-CB 3.38Å; L343-A347 PolarHBondContact O-N 3Å; S344-A347 PolarHBondContact O-N 3.35Å; A347-I359 HydrophobicContact CB-CD1 4.17Å |
| 348 | V | 70.3 | Confident | 67.5 | Low | 72 Ų | 72 | 68.8 Ų | 68.8 | 44% | 0.436 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -79.5 | -42.2 | 173.5 | 174.2 | 0 | 0 | 0 | 0 | 112.1 | S344 L345 L346 | S344-V348 WeakPolarHBondContact O-CG2 3.45Å; S344-V348 PolarHBondContact O-N 2.84Å; S344-V348 VanDerWaalsContact O-N 3.16Å; L345-V348 PolarHBondContact O-N 3.27Å; L346-V348 PolarHBondContact O-N 3.31Å |
| 349 | K | 65.5 | Low | 65.8 | Low | 142 Ų | 142 | 67.6 Ų | 67.6 | 62% | 0.617 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -80.2 | -29.2 | -173 | -76.1 | -178.7 | 171 | 176.9 | 0 | 114.8 | L345 L346 E351 | L345-K349 HydrophobicContact CD1-CD 4.15Å; L345-K349 HydrophobicContact CD1-CG 4.36Å; L345-K349 HydrophobicContact CG-CD 4.1Å; L345-K349 WeakPolarHBondContact O-CB 3.35Å; L345-K349 WeakPolarHBondContact O-CG 3.41Å; L345-K349 PolarHBondContact O-N 3.23Å; L346-K349 PolarHBondContact O-N 3.46Å; L346-K349 VanDerWaalsContact O-N 3.1Å; K349-E351 PolarHBondContact O-N 3.49Å |
| 350 | T | 59.3 | Low | 64 | Low | 26 Ų | 26 | 73.3 Ų | 73.3 | 16% | 0.16 | 37% | 0.373 | C | S | . | . | trans | -75.7 | 112.4 | -174.2 | 48.5 | 0 | 0 | 0 | 0 | 111.2 | L346 L355 K356 | L346-T350 WeakPolarHBondContact O-CG2 3.5Å; L346-T350 PolarHBondContact O-N 3.38Å; L346-T350 PolarHBondContact O-OG1 3.34Å; T350-L355 HydrophobicContact CG2-CD2 4.03Å; T350-K356 WeakPolarHBondContact O-CE 3.49Å | ||
| 351 | E | 52 | Low | 62.3 | Low | 165 Ų | 165 | 78.9 Ų | 78.9 | 77% | 0.771 | 40% | 0.403 | S | S | * | . | trans | -72.3 | -15.7 | 162.6 | -69.2 | -174.8 | 174.7 | 0 | 0 | 112.2 | K349 N353 K356 | K349-E351 PolarHBondContact O-N 3.49Å; E351-N353 PolarHBondContact O-N 2.65Å; E351-K356 WeakPolarHBondContact O-CE 3.21Å; E351-K356 PolarHBondContact O-NZ 3.37Å | ||
| 352 | D | 47.4 | Very low | 60.7 | Low | 110 Ų | 110 | 85 Ų | 85 | 59% | 0.588 | 44% | 0.44 | S | S | * | . | trans | -56.7 | 120.2 | -174.4 | -69.1 | -31.8 | 0 | 0 | 0 | 113.5 | E354 L355 K356 | D352-E354 PolarHBondContact O-N 3.36Å; D352-L355 PolarHBondContact O-N 3.35Å; D352-K356 WeakPolarHBondContact O-CB 3.38Å; D352-K356 VanDerWaalsContact O-CG 3.27Å; D352-K356 WeakPolarHBondContact O-CG 3.42Å; D352-K356 PolarHBondContact O-N 3.42Å | ||
| 353 | N | 50.1 | Low | 59.6 | Low | 122 Ų | 122 | 88.5 Ų | 88.5 | 65% | 0.652 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.5 | -26.1 | -179.1 | -76.9 | -25.3 | 0 | 0 | 0 | 113.8 | E351 K357 | E351-N353 PolarHBondContact O-N 2.65Å; N353-K357 WeakPolarHBondContact O-CB 3.41Å; N353-K357 WeakPolarHBondContact O-CG 3.25Å; N353-K357 PolarHBondContact O-N 3.33Å |
| 354 | E | 50.5 | Low | 58.8 | Low | 159 Ų | 159 | 89.9 Ų | 89.9 | 74% | 0.743 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -79.2 | -48 | -178.8 | -72.2 | -167 | 161.5 | 0 | 0 | 113.1 | D352 K356 K357 T358 | D352-E354 PolarHBondContact O-N 3.36Å; E354-K356 VanDerWaalsContact C-N 3.26Å; E354-K356 PolarHBondContact O-N 2.92Å; E354-K357 WeakPolarHBondContact O-CB 3.48Å; E354-K357 PolarHBondContact O-N 2.94Å; E354-K357 VanDerWaalsContact O-N 3.07Å; E354-T358 PolarHBondContact O-N 2.88Å; E354-T358 PolarHBondContact O-OG1 2.87Å |
| 355 | L | 50.9 | Low | 58.2 | Low | 66 Ų | 66 | 96.8 Ų | 96.8 | 35% | 0.346 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.8 | -35.8 | 174.8 | -148.2 | 85.2 | 0 | 0 | 0 | 110.2 | T350 D352 K357 T358 I359 | T350-L355 HydrophobicContact CG2-CD2 4.03Å; D352-L355 PolarHBondContact O-N 3.35Å; L355-K357 VanDerWaalsContact C-N 3.32Å; L355-K357 PolarHBondContact O-N 3.44Å; L355-T358 WeakPolarHBondContact CA-OG1 3.31Å; L355-T358 PolarHBondContact O-N 3.35Å; L355-T358 PolarHBondContact O-OG1 3.14Å; L355-I359 HydrophobicContact CD2-CD1 3.73Å; L355-I359 HydrophobicContact CG-CD1 3.77Å; L355-I359 HydrophobicContact CG-CG1 4.5Å; L355-I359 VanDerWaalsContact O-CB 3.31Å; L355-I359 WeakPolarHBondContact O-CB 3.27Å; L355-I359 VanDerWaalsContact O-CG1 3.25Å; L355-I359 WeakPolarHBondContact O-CG1 3.33Å; L355-I359 PolarHBondContact O-N 2.9Å |
| 356 | K | 48.8 | Very low | 57.9 | Low | 67 Ų | 67 | 98.2 Ų | 98.2 | 29% | 0.291 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -34.1 | 170 | -77 | -178.8 | 173.8 | 162.7 | 0 | 113.5 | T350 E351 D352 E354 I359 | T350-K356 WeakPolarHBondContact O-CE 3.49Å; E351-K356 WeakPolarHBondContact O-CE 3.21Å; E351-K356 PolarHBondContact O-NZ 3.37Å; D352-K356 WeakPolarHBondContact O-CB 3.38Å; D352-K356 VanDerWaalsContact O-CG 3.27Å; D352-K356 WeakPolarHBondContact O-CG 3.42Å; D352-K356 PolarHBondContact O-N 3.42Å; E354-K356 VanDerWaalsContact C-N 3.26Å; E354-K356 PolarHBondContact O-N 2.92Å; K356-I359 CarbonylContact O-C 3.52Å; K356-I359 VanDerWaalsContact O-C 3.23Å |
| 357 | K | 51.2 | Low | 57.9 | Low | 163 Ų | 163 | 94.4 Ų | 94.4 | 71% | 0.709 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -71.3 | -40.5 | 174.4 | -85.9 | 175 | -179.2 | -175.7 | 0 | 111.5 | N353 E354 L355 I359 | N353-K357 WeakPolarHBondContact O-CB 3.41Å; N353-K357 WeakPolarHBondContact O-CG 3.25Å; N353-K357 PolarHBondContact O-N 3.33Å; E354-K357 WeakPolarHBondContact O-CB 3.48Å; E354-K357 PolarHBondContact O-N 2.94Å; E354-K357 VanDerWaalsContact O-N 3.07Å; L355-K357 VanDerWaalsContact C-N 3.32Å; L355-K357 PolarHBondContact O-N 3.44Å; K357-I359 VanDerWaalsContact C-N 3.31Å |
| 358 | T | 53.1 | Low | 58.2 | Low | 89 Ų | 89 | 94.9 Ų | 94.9 | 55% | 0.546 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.8 | -27.4 | 175.1 | 48.8 | 0 | 0 | 0 | 0 | 113.2 | E354 L355 | E354-T358 PolarHBondContact O-N 2.88Å; E354-T358 PolarHBondContact O-OG1 2.87Å; L355-T358 WeakPolarHBondContact CA-OG1 3.31Å; L355-T358 PolarHBondContact O-N 3.35Å; L355-T358 PolarHBondContact O-OG1 3.14Å |
| 359 | I | 53.5 | Low | 58.8 | Low | 13 Ų | 13 | 98.7 Ų | 98.7 | 7% | 0.067 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -110.1 | 70.4 | 178.3 | -51.3 | 168.2 | 0 | 0 | 0 | 106.9 | A347 L355 K356 K357 R364 I367 | A347-I359 HydrophobicContact CB-CD1 4.17Å; L355-I359 HydrophobicContact CD2-CD1 3.73Å; L355-I359 HydrophobicContact CG-CD1 3.77Å; L355-I359 HydrophobicContact CG-CG1 4.5Å; L355-I359 VanDerWaalsContact O-CB 3.31Å; L355-I359 WeakPolarHBondContact O-CB 3.27Å; L355-I359 VanDerWaalsContact O-CG1 3.25Å; L355-I359 WeakPolarHBondContact O-CG1 3.33Å; L355-I359 PolarHBondContact O-N 2.9Å; K356-I359 CarbonylContact O-C 3.52Å; K356-I359 VanDerWaalsContact O-C 3.23Å; K357-I359 VanDerWaalsContact C-N 3.31Å; I359-R364 HydrophobicContact CG2-CG 3.63Å; I359-I367 HydrophobicContact CG2-CD1 3.83Å |
| 360 | E | 48.9 | Very low | 59.7 | Low | 139 Ų | 139 | 94.2 Ų | 94.2 | 65% | 0.65 | 46% | 0.464 | S | S | * | . | trans | -51.6 | 149.4 | 177.4 | -73.3 | -170.5 | 158.1 | 0 | 0 | 111.2 | V362 E363 | E360-V362 PolarHBondContact O-N 3.39Å; E360-E363 PolarHBondContact O-N 3.31Å | ||
| 361 | N | 49.9 | Very low | 61 | Low | 120 Ų | 120 | 93 Ų | 93 | 64% | 0.642 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -14.4 | -163.3 | -69.8 | -30.2 | 0 | 0 | 0 | 115.6 | R364 | N361-R364 PolarHBondContact OD1-NH2 3.08Š|
| 362 | V | 52.8 | Low | 62.6 | Low | 132 Ų | 132 | 85.2 Ų | 85.2 | 80% | 0.8 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -25.9 | 178.6 | -178 | 0 | 0 | 0 | 0 | 111.9 | E360 | E360-V362 PolarHBondContact O-N 3.39Š|
| 363 | E | 60.7 | Low | 64.5 | Low | 104 Ų | 104 | 84 Ų | 84 | 49% | 0.486 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -86.5 | -22.8 | -173.7 | -65.7 | -173.3 | 169.6 | 0 | 0 | 113.6 | E360 F365 S366 I367 | E360-E363 PolarHBondContact O-N 3.31Å; E363-F365 PolarHBondContact O-N 3.41Å; E363-S366 WeakPolarHBondContact CA-OG 3.49Å; E363-S366 CarbonylContact O-C 3.57Å; E363-S366 WeakPolarHBondContact O-CA 3.21Å; E363-S366 WeakPolarHBondContact O-CB 3.45Å; E363-S366 PolarHBondContact O-N 2.81Å; E363-S366 PolarHBondContact O-OG 2.66Å; E363-I367 HydrophobicContact CB-CD1 4.18Å; E363-I367 WeakPolarHBondContact O-CD1 3.48Å; E363-I367 WeakPolarHBondContact O-CG1 3.34Å; E363-I367 PolarHBondContact O-N 3.26Å |
| 364 | R | 62.8 | Low | 66.3 | Low | 65 Ų | 65 | 78.8 Ų | 78.8 | 25% | 0.245 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -56.2 | -48.6 | -177.3 | -66.6 | -170.3 | -164.7 | 144.8 | 21 | 113.3 | I359 N361 S366 I367 Q368 | I359-R364 HydrophobicContact CG2-CG 3.63Å; N361-R364 PolarHBondContact OD1-NH2 3.08Å; R364-S366 VanDerWaalsContact C-N 3.29Å; R364-S366 PolarHBondContact O-N 3.47Å; R364-I367 PolarHBondContact O-N 3.39Å; R364-Q368 WeakPolarHBondContact O-CB 3.44Å; R364-Q368 PolarHBondContact O-N 2.89Å |
| 365 | F | 66.1 | Low | 68.3 | Low | 146 Ų | 146 | 71.2 Ų | 71.2 | 64% | 0.64 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.5 | -39 | 176.9 | -82.2 | -78.7 | 0 | 0 | 0 | 111.4 | E363 R369 | E363-F365 PolarHBondContact O-N 3.41Å; F365-R369 WeakPolarHBondContact O-CB 3.26Å; F365-R369 PolarHBondContact O-N 3.24Å |
| 366 | S | 74.4 | Confident | 70.1 | Confident | 64 Ų | 64 | 69.1 Ų | 69.1 | 45% | 0.448 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 177.4 | 76.9 | 0 | 0 | 0 | 0 | 112.2 | E363 R364 R369 L370 | E363-S366 WeakPolarHBondContact CA-OG 3.49Å; E363-S366 CarbonylContact O-C 3.57Å; E363-S366 WeakPolarHBondContact O-CA 3.21Å; E363-S366 WeakPolarHBondContact O-CB 3.45Å; E363-S366 PolarHBondContact O-N 2.81Å; E363-S366 PolarHBondContact O-OG 2.66Å; R364-S366 VanDerWaalsContact C-N 3.29Å; R364-S366 PolarHBondContact O-N 3.47Å; S366-R369 PolarHBondContact O-N 3.12Å; S366-L370 WeakPolarHBondContact O-CB 3.39Å; S366-L370 PolarHBondContact O-N 3.25Å |
| 367 | I | 75.4 | Confident | 72.2 | Confident | 11 Ų | 11 | 71.3 Ų | 71.3 | 6% | 0.056 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.2 | -45.5 | 178.3 | -63.6 | 160.8 | 0 | 0 | 0 | 110.3 | I290 I359 E363 R364 L370 A371 | I290-I367 HydrophobicContact CD1-CD1 3.61Å; I290-I367 HydrophobicContact CD1-CG1 3.92Å; I290-I367 HydrophobicContact CD1-CG2 4.38Å; I290-I367 HydrophobicContact CG2-CG1 4.34Å; I290-I367 HydrophobicContact CG2-CG2 4.48Å; I359-I367 HydrophobicContact CG2-CD1 3.83Å; E363-I367 HydrophobicContact CB-CD1 4.18Å; E363-I367 WeakPolarHBondContact O-CD1 3.48Å; E363-I367 WeakPolarHBondContact O-CG1 3.34Å; E363-I367 PolarHBondContact O-N 3.26Å; R364-I367 PolarHBondContact O-N 3.39Å; I367-L370 PolarHBondContact O-N 3.06Å; I367-A371 VanDerWaalsContact O-CB 3.29Å; I367-A371 WeakPolarHBondContact O-CB 3.43Å; I367-A371 PolarHBondContact O-N 3.23Å |
| 368 | Q | 79.2 | Confident | 74.1 | Confident | 18 Ų | 18 | 63.5 Ų | 63.5 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 178.7 | -171.4 | 179.2 | -2.7 | 0 | 0 | 111.1 | R364 A371 N372 C417 I422 | R364-Q368 WeakPolarHBondContact O-CB 3.44Å; R364-Q368 PolarHBondContact O-N 2.89Å; Q368-A371 PolarHBondContact O-N 3.49Å; Q368-N372 VanDerWaalsContact O-CB 3.29Å; Q368-N372 WeakPolarHBondContact O-CB 3.46Å; Q368-N372 PolarHBondContact O-N 3.14Å; Q368-N372 PolarHBondContact O-ND2 3.39Å; Q368-C417 HydrophobicContact CG-CB 4.36Å; Q368-C417 PolarHBondContact NE2-O 3.48Å; Q368-I422 HydrophobicContact CB-CD1 4.37Å; Q368-I422 HydrophobicContact CG-CD1 3.51Å; Q368-I422 VanDerWaalsContact NE2-CD1 3.29Å |
| 369 | R | 83 | Confident | 76 | Confident | 151 Ų | 151 | 59.4 Ų | 59.4 | 57% | 0.57 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -60.1 | -48.8 | 175.1 | -176.3 | 175.4 | 179.9 | 157.1 | 5.8 | 111.5 | F365 S366 A371 N372 E373 I422 | F365-R369 WeakPolarHBondContact O-CB 3.26Å; F365-R369 PolarHBondContact O-N 3.24Å; S366-R369 PolarHBondContact O-N 3.12Å; R369-A371 PolarHBondContact O-N 3.29Å; R369-N372 PolarHBondContact O-N 2.99Å; R369-E373 HydrophobicContact CG-CG 4.4Å; R369-E373 WeakPolarHBondContact CG-OE1 3.44Å; R369-E373 IonicContact CZ-OE1 3.02Å; R369-E373 IonicContact NE-OE1 2.77Å; R369-E373 PolarHBondContact NE-OE1 2.91Å; R369-E373 IonicContact NH2-OE1 3.97Å; R369-E373 WeakPolarHBondContact O-CB 3.47Å; R369-E373 WeakPolarHBondContact O-CG 3.49Å; R369-E373 PolarHBondContact O-N 3.28Å; R369-I422 HydrophobicContact CB-CG2 4.35Å; R369-I422 HydrophobicContact CG-CG2 4.3Å |
| 370 | L | 84.1 | Confident | 77.7 | Confident | 48 Ų | 48 | 62.7 Ų | 62.7 | 25% | 0.251 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 179.3 | -176.5 | 63.7 | 0 | 0 | 0 | 112.4 | I290 A294 S366 I367 N372 E373 H374 | I290-L370 HydrophobicContact CG2-CD2 4.38Å; A294-L370 HydrophobicContact CB-CD1 4.3Å; A294-L370 HydrophobicContact CB-CD2 3.56Å; A294-L370 HydrophobicContact CB-CG 4.12Å; S366-L370 WeakPolarHBondContact O-CB 3.39Å; S366-L370 PolarHBondContact O-N 3.25Å; I367-L370 PolarHBondContact O-N 3.06Å; L370-N372 VanDerWaalsContact C-N 3.33Å; L370-N372 PolarHBondContact O-N 3.14Å; L370-E373 PolarHBondContact O-N 3.41Å; L370-H374 PolarHBondContact O-CD2 2.92Å; L370-H374 PolarHBondContact O-N 2.65Å |
| 371 | A | 86.2 | Confident | 79.6 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 2% | 0.017 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L340 I367 Q368 R369 H374 L375 | L340-A371 HydrophobicContact CB-CB 4.02Å; I367-A371 VanDerWaalsContact O-CB 3.29Å; I367-A371 WeakPolarHBondContact O-CB 3.43Å; I367-A371 PolarHBondContact O-N 3.23Å; Q368-A371 PolarHBondContact O-N 3.49Å; R369-A371 PolarHBondContact O-N 3.29Å; A371-H374 PolarHBondContact O-N 2.93Å; A371-L375 WeakPolarHBondContact O-CB 3.47Å; A371-L375 PolarHBondContact O-N 3.5Å |
| 372 | N | 85.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.6 | -37.2 | -179.8 | -68.7 | -19 | 0 | 0 | 0 | 112.7 | Q368 R369 L370 L375 D376 Q413 L419 L423 | Q368-N372 VanDerWaalsContact O-CB 3.29Å; Q368-N372 WeakPolarHBondContact O-CB 3.46Å; Q368-N372 PolarHBondContact O-N 3.14Å; Q368-N372 PolarHBondContact O-ND2 3.39Å; R369-N372 PolarHBondContact O-N 2.99Å; L370-N372 VanDerWaalsContact C-N 3.33Å; L370-N372 PolarHBondContact O-N 3.14Å; N372-L375 WeakPolarHBondContact O-CB 3.37Å; N372-L375 PolarHBondContact O-N 3.33Å; N372-D376 PolarHBondContact O-N 3.23Å; N372-Q413 PolarHBondContact OD1-OE1 2.92Å; N372-L419 HydrophobicContact CB-CD1 3.6Å; N372-L423 HydrophobicContact CB-CD1 3.62Å |
| 373 | E | 87 | Confident | 83.3 | Confident | 84 Ų | 84 | 45.9 Ų | 45.9 | 39% | 0.393 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.7 | -42.1 | 172.6 | -75.5 | 175.4 | -171.8 | 0 | 0 | 111.3 | R369 L370 D376 R377 | R369-E373 HydrophobicContact CG-CG 4.4Å; R369-E373 WeakPolarHBondContact CG-OE1 3.44Å; R369-E373 IonicContact CZ-OE1 3.02Å; R369-E373 IonicContact NE-OE1 2.77Å; R369-E373 PolarHBondContact NE-OE1 2.91Å; R369-E373 IonicContact NH2-OE1 3.97Å; R369-E373 WeakPolarHBondContact O-CB 3.47Å; R369-E373 WeakPolarHBondContact O-CG 3.49Å; R369-E373 PolarHBondContact O-N 3.28Å; L370-E373 PolarHBondContact O-N 3.41Å; E373-D376 PolarHBondContact O-N 3.23Å; E373-R377 WeakPolarHBondContact O-CB 3.49Å; E373-R377 PolarHBondContact O-N 3.37Å |
| 374 | H | 89.2 | Confident | 84.4 | Confident | 13 Ų | 13 | 44 Ų | 44 | 6% | 0.06 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.6 | -36.2 | 173.7 | -80.9 | -59.6 | 0 | 0 | 0 | 113 | L297 T298 Y301 L370 A371 L378 | L297-H374 HydrophobicContact CD2-CB 3.77Å; T298-H374 PolarHBondContact OG1-CE1 2.9Å; Y301-H374 PolarHBondContact OH-O 3Å; L370-H374 PolarHBondContact O-CD2 2.92Å; L370-H374 PolarHBondContact O-N 2.65Å; A371-H374 PolarHBondContact O-N 2.93Å; H374-L378 VanDerWaalsContact O-CB 3.3Å; H374-L378 WeakPolarHBondContact O-CB 3.27Å; H374-L378 PolarHBondContact O-N 3.06Å |
| 375 | L | 91 | Very high | 85.5 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.1 | -44.1 | 174.7 | -179.6 | 61.4 | 0 | 0 | 0 | 111.4 | A371 N372 L378 V379 V409 V410 Q413 L419 | A371-L375 WeakPolarHBondContact O-CB 3.47Å; A371-L375 PolarHBondContact O-N 3.5Å; N372-L375 WeakPolarHBondContact O-CB 3.37Å; N372-L375 PolarHBondContact O-N 3.33Å; L375-L378 PolarHBondContact O-N 2.87Å; L375-V379 HydrophobicContact CD1-CG2 4.3Å; L375-V379 WeakPolarHBondContact O-CG2 3.45Å; L375-V379 PolarHBondContact O-N 3.49Å; L375-V409 HydrophobicContact CD1-CG1 3.86Å; L375-V409 HydrophobicContact CD2-CG1 4.25Å; L375-V410 HydrophobicContact CD1-CG2 4.15Å; L375-V410 HydrophobicContact CD2-CG2 4.17Å; L375-V410 HydrophobicContact CG-CG2 4.45Å; L375-Q413 HydrophobicContact CD2-CG 4.43Å; L375-L419 HydrophobicContact CD2-CD2 4.19Å |
| 376 | D | 90.3 | Very high | 86.4 | Confident | 22 Ų | 22 | 34.1 Ų | 34.1 | 12% | 0.118 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.2 | -47.7 | 174.6 | 178.5 | 56.5 | 0 | 0 | 0 | 111.3 | N372 E373 L378 V379 K380 L423 F426 | N372-D376 PolarHBondContact O-N 3.23Å; E373-D376 PolarHBondContact O-N 3.23Å; D376-L378 VanDerWaalsContact C-N 3.31Å; D376-L378 PolarHBondContact O-N 2.88Å; D376-V379 PolarHBondContact O-N 3.46Å; D376-K380 WeakPolarHBondContact O-CB 3.46Å; D376-K380 WeakPolarHBondContact O-CG 3.5Å; D376-K380 PolarHBondContact O-N 2.96Å; D376-K380 WeakPolarHBondContact OD1-CE 3.1Å; D376-K380 IonicContact OD1-NZ 3.81Å; D376-K380 PolarHBondContact OD1-NZ 3.46Å; D376-K380 VanDerWaalsContact OD2-CE 3.3Å; D376-K380 WeakPolarHBondContact OD2-CE 3.41Å; D376-K380 IonicContact OD2-NZ 3.86Å; D376-K380 PolarHBondContact OD2-NZ 3.47Å; D376-L423 HydrophobicContact CB-CD2 3.77Å; D376-F426 HydrophobicContact CB-CD2 4.08Å |
| 377 | R | 91.5 | Very high | 86.8 | Confident | 113 Ų | 113 | 32.1 Ų | 32.1 | 43% | 0.426 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -59.3 | -41.2 | 174.8 | -172.7 | 175.3 | -179.8 | 169.1 | 1.5 | 112.2 | Y301 E373 T381 | Y301-R377 HydrophobicContact CD1-CG 4.45Å; Y301-R377 HydrophobicContact CE1-CG 4.01Å; Y301-R377 HydrophobicContact CE2-CG 4.25Å; E373-R377 WeakPolarHBondContact O-CB 3.49Å; E373-R377 PolarHBondContact O-N 3.37Å; R377-T381 HydrophobicContact CG-CG2 4.43Å; R377-T381 WeakPolarHBondContact O-CB 3.21Å; R377-T381 VanDerWaalsContact O-CG2 3.23Å; R377-T381 WeakPolarHBondContact O-CG2 3.33Å; R377-T381 PolarHBondContact O-N 3.4Å; R377-T381 PolarHBondContact O-OG1 3.49Å |
| 378 | L | 92.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.3 | -47.2 | 179 | -179.3 | 57.8 | 0 | 0 | 0 | 111.8 | Y301 L333 I334 C337 H374 L375 D376 T381 L382 L405 | Y301-L378 WeakPolarHBondContact OH-CA 3.42Å; Y301-L378 VanDerWaalsContact OH-CB 3.27Å; Y301-L378 WeakPolarHBondContact OH-CB 3.37Å; Y301-L378 PolarHBondContact OH-N 3.16Å; L333-L378 HydrophobicContact CB-CD1 3.82Å; L333-L378 HydrophobicContact CD1-CD1 4.26Å; I334-L378 HydrophobicContact CB-CD2 4.35Å; I334-L378 HydrophobicContact CG1-CD1 3.94Å; I334-L378 HydrophobicContact CG1-CD2 3.76Å; I334-L378 HydrophobicContact CG1-CG 4.29Å; C337-L378 HydrophobicContact CB-CD2 3.47Å; C337-L378 VanDerWaalsContact CB-CD2 3.47Å; C337-L378 WeakPolarHBondContact SG-CD2 3.32Å; H374-L378 VanDerWaalsContact O-CB 3.3Å; H374-L378 WeakPolarHBondContact O-CB 3.27Å; H374-L378 PolarHBondContact O-N 3.06Å; L375-L378 PolarHBondContact O-N 2.87Å; D376-L378 VanDerWaalsContact C-N 3.31Å; D376-L378 PolarHBondContact O-N 2.88Å; L378-T381 WeakPolarHBondContact CA-OG1 3.48Å; L378-T381 PolarHBondContact O-N 3.32Å; L378-T381 PolarHBondContact O-OG1 3.31Å; L378-L382 HydrophobicContact CD1-CD1 3.76Å; L378-L382 HydrophobicContact CD1-CG 3.97Å; L378-L382 HydrophobicContact CG-CD1 3.92Å; L378-L382 HydrophobicContact CG-CG 4.46Å; L378-L382 WeakPolarHBondContact O-CB 3.32Å; L378-L382 VanDerWaalsContact O-CG 3.3Å; L378-L382 WeakPolarHBondContact O-CG 3.28Å; L378-L382 PolarHBondContact O-N 3.46Å; L378-L405 HydrophobicContact CD2-CD1 3.88Å; L378-L405 HydrophobicContact CD2-CD2 3.93Å; L378-L405 HydrophobicContact CG-CD1 4.06Å |
| 379 | V | 91.7 | Very high | 86.7 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.9 | -45.4 | 179 | 174.3 | 0 | 0 | 0 | 0 | 109.9 | L375 D376 T381 L382 M383 F406 F426 V430 | L375-V379 HydrophobicContact CD1-CG2 4.3Å; L375-V379 WeakPolarHBondContact O-CG2 3.45Å; L375-V379 PolarHBondContact O-N 3.49Å; D376-V379 PolarHBondContact O-N 3.46Å; V379-T381 PolarHBondContact O-N 3.14Å; V379-L382 PolarHBondContact O-N 3.29Å; V379-M383 HydrophobicContact CG1-CG 4.08Å; V379-M383 VanDerWaalsContact O-CB 3.26Å; V379-M383 WeakPolarHBondContact O-CB 3.42Å; V379-M383 WeakPolarHBondContact O-CG 3.09Å; V379-M383 PolarHBondContact O-N 2.94Å; V379-F406 HydrophobicContact CG1-CE1 4.18Å; V379-F406 HydrophobicContact CG1-CZ 4.36Å; V379-F406 HydrophobicContact CG2-CE1 4.48Å; V379-F426 HydrophobicContact CB-CE2 4.33Å; V379-F426 HydrophobicContact CG2-CE2 4.19Å; V379-F426 HydrophobicContact CG2-CZ 4.27Å; V379-V430 HydrophobicContact CG1-CG2 3.77Å |
| 380 | K | 90.2 | Very high | 85.8 | Confident | 83 Ų | 83 | 30.7 Ų | 30.7 | 36% | 0.361 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -57.8 | -45.6 | 175.3 | -76 | 173 | 176.4 | 166 | 0 | 112.5 | D376 S384 | D376-K380 WeakPolarHBondContact O-CB 3.46Å; D376-K380 WeakPolarHBondContact O-CG 3.5Å; D376-K380 PolarHBondContact O-N 2.96Å; D376-K380 WeakPolarHBondContact OD1-CE 3.1Å; D376-K380 IonicContact OD1-NZ 3.81Å; D376-K380 PolarHBondContact OD1-NZ 3.46Å; D376-K380 VanDerWaalsContact OD2-CE 3.3Å; D376-K380 WeakPolarHBondContact OD2-CE 3.41Å; D376-K380 IonicContact OD2-NZ 3.86Å; D376-K380 PolarHBondContact OD2-NZ 3.47Å; K380-S384 VanDerWaalsContact O-CB 3.31Å; K380-S384 WeakPolarHBondContact O-CB 3.1Å; K380-S384 PolarHBondContact O-N 3.39Å; K380-S384 PolarHBondContact O-OG 2.79Å |
| 381 | T | 88.8 | Confident | 85.2 | Confident | 36 Ų | 36 | 30.1 Ų | 30.1 | 22% | 0.221 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.5 | -37.7 | -179.8 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | Y301 R377 L378 V379 S384 L385 | Y301-T381 HydrophobicContact CD1-CG2 4.31Å; Y301-T381 HydrophobicContact CE1-CG2 4.06Å; R377-T381 HydrophobicContact CG-CG2 4.43Å; R377-T381 WeakPolarHBondContact O-CB 3.21Å; R377-T381 VanDerWaalsContact O-CG2 3.23Å; R377-T381 WeakPolarHBondContact O-CG2 3.33Å; R377-T381 PolarHBondContact O-N 3.4Å; R377-T381 PolarHBondContact O-OG1 3.49Å; L378-T381 WeakPolarHBondContact CA-OG1 3.48Å; L378-T381 PolarHBondContact O-N 3.32Å; L378-T381 PolarHBondContact O-OG1 3.31Å; V379-T381 PolarHBondContact O-N 3.14Å; T381-S384 PolarHBondContact O-OG 3.29Å; T381-L385 WeakPolarHBondContact O-CB 3.49Å; T381-L385 PolarHBondContact O-N 3.04Å |
| 382 | L | 89.9 | Confident | 84.4 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -74.6 | -36 | 176.8 | -69.1 | 175.8 | 0 | 0 | 0 | 112.3 | M330 I334 L378 V379 L385 L386 L402 L405 | M330-L382 HydrophobicContact CB-CD2 4.33Å; M330-L382 HydrophobicContact CE-CD2 3.79Å; M330-L382 HydrophobicContact CG-CD2 3.93Å; M330-L382 HydrophobicContact SD-CD2 4.44Å; I334-L382 HydrophobicContact CD1-CD1 3.7Å; I334-L382 HydrophobicContact CD1-CD2 4.45Å; I334-L382 HydrophobicContact CG1-CD1 4.08Å; L378-L382 HydrophobicContact CD1-CD1 3.76Å; L378-L382 HydrophobicContact CD1-CG 3.97Å; L378-L382 HydrophobicContact CG-CD1 3.92Å; L378-L382 HydrophobicContact CG-CG 4.46Å; L378-L382 WeakPolarHBondContact O-CB 3.32Å; L378-L382 VanDerWaalsContact O-CG 3.3Å; L378-L382 WeakPolarHBondContact O-CG 3.28Å; L378-L382 PolarHBondContact O-N 3.46Å; V379-L382 PolarHBondContact O-N 3.29Å; L382-L385 PolarHBondContact O-N 3.02Å; L382-L386 WeakPolarHBondContact O-CB 3.44Å; L382-L386 PolarHBondContact O-N 3.24Å; L382-L402 HydrophobicContact CB-CD1 4.22Å; L382-L402 HydrophobicContact CB-CD2 3.66Å; L382-L402 HydrophobicContact CB-CG 3.94Å; L382-L402 HydrophobicContact CD1-CD2 4.02Å; L382-L402 HydrophobicContact CD1-CG 4.35Å; L382-L405 HydrophobicContact CD1-CD1 3.36Å |
| 383 | M | 89 | Confident | 83.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.2 | -45.6 | 173.8 | -72.3 | -63.2 | -68 | 0 | 0 | 111 | V379 L385 L386 I387 L402 N433 F434 M449 L452 | V379-M383 HydrophobicContact CG1-CG 4.08Å; V379-M383 VanDerWaalsContact O-CB 3.26Å; V379-M383 WeakPolarHBondContact O-CB 3.42Å; V379-M383 WeakPolarHBondContact O-CG 3.09Å; V379-M383 PolarHBondContact O-N 2.94Å; M383-L385 VanDerWaalsContact C-N 3.29Å; M383-L385 PolarHBondContact O-N 3Å; M383-L386 PolarHBondContact O-N 3.18Å; M383-I387 VanDerWaalsContact O-CG1 3.29Å; M383-I387 WeakPolarHBondContact O-CG1 3.33Å; M383-I387 PolarHBondContact O-N 3.32Å; M383-L402 HydrophobicContact CG-CD1 4.43Å; M383-L402 HydrophobicContact CG-CD2 4.45Å; M383-L402 HydrophobicContact SD-CD1 3.67Å; M383-L402 HydrophobicContact SD-CD2 4.39Å; M383-N433 HydrophobicContact CB-CB 4.46Å; M383-N433 HydrophobicContact CE-CB 3.76Å; M383-F434 HydrophobicContact CE-CD1 3.52Å; M383-F434 HydrophobicContact CE-CE1 3.46Å; M383-F434 VanDerWaalsContact CE-CE1 3.46Å; M383-F434 HydrophobicContact CE-CG 4.48Å; M383-F434 HydrophobicContact CE-CZ 4.4Å; M383-F434 HydrophobicContact SD-CE1 4.08Å; M383-M449 HydrophobicContact CE-CE 4.03Å; M383-M449 HydrophobicContact CE-SD 3.88Å; M383-L452 HydrophobicContact SD-CD1 4.46Å |
| 384 | S | 85.7 | Confident | 83.5 | Confident | 64 Ų | 64 | 36 Ų | 36 | 45% | 0.448 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63 | -38.6 | 175.2 | 71 | 0 | 0 | 0 | 0 | 111.3 | K380 T381 I387 S388 | K380-S384 VanDerWaalsContact O-CB 3.31Å; K380-S384 WeakPolarHBondContact O-CB 3.1Å; K380-S384 PolarHBondContact O-N 3.39Å; K380-S384 PolarHBondContact O-OG 2.79Å; T381-S384 PolarHBondContact O-OG 3.29Å; S384-I387 PolarHBondContact O-N 3.15Å; S384-S388 VanDerWaalsContact O-CB 3.26Å; S384-S388 WeakPolarHBondContact O-CB 3.38Å; S384-S388 PolarHBondContact O-N 3.01Å; S384-S388 PolarHBondContact O-OG 2.96Å |
| 385 | L | 84.6 | Confident | 83.2 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.8 | -48.7 | 172.2 | -173 | 64.3 | 0 | 0 | 0 | 110.8 | M330 T381 L382 M383 I387 S388 T389 V398 | M330-L385 HydrophobicContact CE-CD2 4.47Å; M330-L385 HydrophobicContact CG-CD2 4.19Å; M330-L385 HydrophobicContact SD-CD2 3.64Å; T381-L385 WeakPolarHBondContact O-CB 3.49Å; T381-L385 PolarHBondContact O-N 3.04Å; L382-L385 PolarHBondContact O-N 3.02Å; M383-L385 VanDerWaalsContact C-N 3.29Å; M383-L385 PolarHBondContact O-N 3Å; L385-I387 VanDerWaalsContact C-N 3.3Å; L385-I387 PolarHBondContact O-N 3.18Å; L385-S388 PolarHBondContact O-N 2.86Å; L385-T389 VanDerWaalsContact CD1-OG1 3.28Å; L385-T389 WeakPolarHBondContact CD1-OG1 3.3Å; L385-T389 WeakPolarHBondContact O-CB 3.15Å; L385-T389 PolarHBondContact O-N 3.02Å; L385-T389 PolarHBondContact O-OG1 3.21Å; L385-V398 HydrophobicContact CD2-CG2 4.03Å; L385-V398 HydrophobicContact CG-CG2 4.41Å |
| 386 | L | 85.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.8 | -42.1 | 179.3 | -175.1 | 59.8 | 0 | 0 | 0 | 112.2 | L382 M383 R395 V398 L402 I445 M449 L452 | L382-L386 WeakPolarHBondContact O-CB 3.44Å; L382-L386 PolarHBondContact O-N 3.24Å; M383-L386 PolarHBondContact O-N 3.18Å; L386-R395 HydrophobicContact CD1-CB 4.2Å; L386-R395 HydrophobicContact CD1-CG 4.49Å; L386-V398 HydrophobicContact CB-CG1 3.86Å; L386-V398 HydrophobicContact CD1-CB 4.33Å; L386-V398 HydrophobicContact CD1-CG1 4.21Å; L386-V398 HydrophobicContact CG-CG1 4.48Å; L386-L402 HydrophobicContact CD2-CD1 4.14Å; L386-I445 HydrophobicContact CD1-CG2 4.29Å; L386-I445 HydrophobicContact CG-CG2 3.97Å; L386-M449 HydrophobicContact CB-CE 4.3Å; L386-M449 HydrophobicContact CD2-CE 3.57Å; L386-M449 HydrophobicContact CD2-SD 3.81Å; L386-M449 HydrophobicContact CG-CE 3.83Å; L386-L452 HydrophobicContact CD2-CD1 3.79Å |
| 387 | I | 82.6 | Confident | 82.6 | Confident | 21 Ų | 21 | 40.9 Ų | 40.9 | 11% | 0.108 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.1 | -40.5 | -178.8 | -65.9 | 167.9 | 0 | 0 | 0 | 111.8 | M383 S384 L385 Y440 I445 M449 | M383-I387 VanDerWaalsContact O-CG1 3.29Å; M383-I387 WeakPolarHBondContact O-CG1 3.33Å; M383-I387 PolarHBondContact O-N 3.32Å; S384-I387 PolarHBondContact O-N 3.15Å; L385-I387 VanDerWaalsContact C-N 3.3Å; L385-I387 PolarHBondContact O-N 3.18Å; I387-Y440 HydrophobicContact CG2-CD2 3.54Å; I387-Y440 HydrophobicContact CG2-CE2 3.64Å; I387-Y440 HydrophobicContact CG2-CG 4.31Å; I387-I445 WeakPolarHBondContact O-CD1 3.4Å; I387-M449 HydrophobicContact CD1-CE 4.08Å; I387-M449 HydrophobicContact CG1-CE 3.4Å |
| 388 | S | 77.9 | Confident | 82.5 | Confident | 80 Ų | 80 | 35.5 Ų | 35.5 | 56% | 0.559 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -92.1 | -12.7 | -172.8 | 62.3 | 0 | 0 | 0 | 0 | 115.1 | S384 L385 P390 | S384-S388 VanDerWaalsContact O-CB 3.26Å; S384-S388 WeakPolarHBondContact O-CB 3.38Å; S384-S388 PolarHBondContact O-N 3.01Å; S384-S388 PolarHBondContact O-OG 2.96Å; L385-S388 PolarHBondContact O-N 2.86Å; S388-P390 VanDerWaalsContact O-CD 3.32Å; S388-P390 WeakPolarHBondContact O-CD 3.18Å |
| 389 | T | 75.2 | Confident | 82.4 | Confident | 7 Ų | 7 | 35.8 Ų | 35.8 | 4% | 0.043 | 20% | 0.202 | C | C | . | . | trans | -73.2 | 121.9 | -170.2 | -66.6 | 0 | 0 | 0 | 0 | 112.3 | L385 L391 L394 | L385-T389 VanDerWaalsContact CD1-OG1 3.28Å; L385-T389 WeakPolarHBondContact CD1-OG1 3.3Å; L385-T389 WeakPolarHBondContact O-CB 3.15Å; L385-T389 PolarHBondContact O-N 3.02Å; L385-T389 PolarHBondContact O-OG1 3.21Å; T389-L391 VanDerWaalsContact C-N 3.33Å; T389-L391 HydrophobicContact CG2-CB 3.99Å; T389-L391 WeakPolarHBondContact CG2-O 3.39Å; T389-L394 HydrophobicContact CG2-CB 3.87Å; T389-L394 HydrophobicContact CG2-CD1 3.87Å | ||
| 390 | P | 64.2 | Low | 82.2 | Confident | 64 Ų | 64 | 41.3 Ų | 41.3 | 42% | 0.416 | 23% | 0.228 | S | C | . | . | trans | -77.3 | -19.1 | 175.7 | 30.2 | -33.2 | 0 | 0 | 0 | 112.9 | P308 N309 S388 P392 | P308-P390 HydrophobicContact CG-CG 4.36Å; N309-P390 WeakPolarHBondContact OD1-CG 3.44Å; S388-P390 VanDerWaalsContact O-CD 3.32Å; S388-P390 WeakPolarHBondContact O-CD 3.18Å; P390-P392 WeakPolarHBondContact O-CD 3.3Å | ||
| 391 | L | 70.7 | Confident | 82.1 | Confident | 36 Ų | 36 | 38.6 Ų | 38.6 | 19% | 0.188 | 22% | 0.216 | C | C | . | . | trans | -85.5 | 115.2 | -177.5 | -63.8 | 179.3 | 0 | 0 | 0 | 112 | P308 T312 V323 T389 Q393 L394 | P308-L391 HydrophobicContact CB-CD1 3.34Å; P308-L391 HydrophobicContact CB-CG 3.81Å; T312-L391 HydrophobicContact CG2-CD2 4.28Å; V323-L391 HydrophobicContact CG2-CD1 4.04Å; T389-L391 VanDerWaalsContact C-N 3.33Å; T389-L391 HydrophobicContact CG2-CB 3.99Å; T389-L391 WeakPolarHBondContact CG2-O 3.39Å; L391-Q393 PolarHBondContact O-N 3.4Å; L391-L394 HydrophobicContact CB-CD1 4.23Å; L391-L394 HydrophobicContact CD1-CD1 4.04Å; L391-L394 PolarHBondContact O-N 2.85Å | ||
| 392 | P | 70.2 | Confident | 82.2 | Confident | 82 Ų | 82 | 36.9 Ų | 36.9 | 53% | 0.532 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.3 | -29.2 | -179.9 | 24 | -33.3 | 0 | 0 | 0 | 113.1 | P390 L394 R395 | P390-P392 WeakPolarHBondContact O-CD 3.3Å; P392-L394 PolarHBondContact O-N 3.17Å; P392-R395 PolarHBondContact O-N 3.47Å |
| 393 | Q | 73.6 | Confident | 82.2 | Confident | 126 Ų | 126 | 38.7 Ų | 38.7 | 59% | 0.589 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -64 | -26.6 | -178.9 | -63.5 | -179 | 0.1 | 0 | 0 | 113.5 | L391 P397 | L391-Q393 PolarHBondContact O-N 3.4Å; Q393-P397 WeakPolarHBondContact O-CD 3.38Å; Q393-P397 WeakPolarHBondContact O-CG 3.27Å |
| 394 | L | 78.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -83 | -20 | 179.6 | -82.1 | 169.5 | 0 | 0 | 0 | 113 | V323 L326 V327 T389 L391 P392 P397 V398 | V323-L394 HydrophobicContact CG1-CD2 3.67Å; V323-L394 HydrophobicContact CG1-CG 3.9Å; L326-L394 HydrophobicContact CB-CD2 4.32Å; L326-L394 HydrophobicContact CD1-CD1 3.92Å; V327-L394 HydrophobicContact CG2-CD2 3.85Å; T389-L394 HydrophobicContact CG2-CB 3.87Å; T389-L394 HydrophobicContact CG2-CD1 3.87Å; L391-L394 HydrophobicContact CB-CD1 4.23Å; L391-L394 HydrophobicContact CD1-CD1 4.04Å; L391-L394 PolarHBondContact O-N 2.85Å; P392-L394 PolarHBondContact O-N 3.17Å; L394-P397 VanDerWaalsContact C-CD 3.5Å; L394-P397 VanDerWaalsContact O-CD 3.25Å; L394-P397 WeakPolarHBondContact O-CD 3.4Å; L394-P397 VanDerWaalsContact O-CG 3.25Å; L394-P397 WeakPolarHBondContact O-CG 3.22Å; L394-V398 WeakPolarHBondContact O-CB 3.4Å; L394-V398 WeakPolarHBondContact O-CG2 3.28Å; L394-V398 PolarHBondContact O-N 2.99Å; L394-V398 VanDerWaalsContact O-N 3.09Å |
| 395 | R | 84.6 | Confident | 82.5 | Confident | 14 Ų | 14 | 39.1 Ų | 39.1 | 5% | 0.053 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67 | -46.3 | -171.7 | -62.2 | 179.9 | -171.6 | 149.6 | -5.5 | 112.7 | L386 P392 V398 T399 E444 | L386-R395 HydrophobicContact CD1-CB 4.2Å; L386-R395 HydrophobicContact CD1-CG 4.49Å; P392-R395 PolarHBondContact O-N 3.47Å; R395-V398 PolarHBondContact O-N 3.03Å; R395-T399 WeakPolarHBondContact O-CB 3.22Å; R395-T399 PolarHBondContact O-N 3.07Å; R395-T399 PolarHBondContact O-OG1 2.92Å; R395-E444 IonicContact CZ-OE2 3.89Å; R395-E444 VanDerWaalsContact NH1-CB 3.26Å; R395-E444 IonicContact NH1-OE2 3.78Å; R395-E444 PolarHBondContact NH1-OE2 3.48Å; R395-E444 IonicContact NH2-OE2 2.88Å; R395-E444 PolarHBondContact NH2-OE2 3.16Å |
| 396 | E | 84.7 | Confident | 82.8 | Confident | 87 Ų | 87 | 38.9 Ų | 38.9 | 41% | 0.407 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.7 | -51.9 | 176.4 | -175.9 | 59.7 | -158.3 | 0 | 0 | 113.3 | V398 T399 Q400 H448 | E396-V398 VanDerWaalsContact C-N 3.33Å; E396-V398 PolarHBondContact O-N 3.46Å; E396-T399 PolarHBondContact O-N 2.99Å; E396-T399 VanDerWaalsContact O-N 3.17Å; E396-Q400 HydrophobicContact CG-CG 4.43Å; E396-Q400 WeakPolarHBondContact O-CG 3.15Å; E396-Q400 PolarHBondContact O-N 2.97Å; E396-Q400 WeakPolarHBondContact OE1-CG 3.26Å; E396-Q400 PolarHBondContact OE1-NE2 2.91Å; E396-H448 IonicContact OE2-CE1 3.83Å; E396-H448 PolarHBondContact OE2-CE1 2.87Å; E396-H448 IonicContact OE2-ND1 2.61Å; E396-H448 PolarHBondContact OE2-ND1 2.81Å |
| 397 | P | 83.9 | Confident | 82.9 | Confident | 37 Ų | 37 | 41 Ų | 41 | 24% | 0.24 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.4 | -37 | 178.5 | 22.1 | -31.4 | 0 | 0 | 0 | 112.6 | V327 Q393 L394 T399 K401 | V327-P397 HydrophobicContact CG2-CG 4.41Å; Q393-P397 WeakPolarHBondContact O-CD 3.38Å; Q393-P397 WeakPolarHBondContact O-CG 3.27Å; L394-P397 VanDerWaalsContact C-CD 3.5Å; L394-P397 VanDerWaalsContact O-CD 3.25Å; L394-P397 WeakPolarHBondContact O-CD 3.4Å; L394-P397 VanDerWaalsContact O-CG 3.25Å; L394-P397 WeakPolarHBondContact O-CG 3.22Å; P397-T399 VanDerWaalsContact C-N 3.34Å; P397-T399 PolarHBondContact O-N 3.37Å; P397-K401 WeakPolarHBondContact O-CB 3.34Å; P397-K401 PolarHBondContact O-N 3.39Å |
| 398 | V | 88.7 | Confident | 83 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.1 | -45.2 | 173.8 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | M330 L385 L386 L394 R395 E396 K401 L402 | M330-V398 HydrophobicContact CE-CB 3.9Å; M330-V398 HydrophobicContact CE-CG1 4.3Å; M330-V398 HydrophobicContact CE-CG2 3.29Å; M330-V398 HydrophobicContact SD-CG2 3.86Å; L385-V398 HydrophobicContact CD2-CG2 4.03Å; L385-V398 HydrophobicContact CG-CG2 4.41Å; L386-V398 HydrophobicContact CB-CG1 3.86Å; L386-V398 HydrophobicContact CD1-CB 4.33Å; L386-V398 HydrophobicContact CD1-CG1 4.21Å; L386-V398 HydrophobicContact CG-CG1 4.48Å; L394-V398 WeakPolarHBondContact O-CB 3.4Å; L394-V398 WeakPolarHBondContact O-CG2 3.28Å; L394-V398 PolarHBondContact O-N 2.99Å; L394-V398 VanDerWaalsContact O-N 3.09Å; R395-V398 PolarHBondContact O-N 3.03Å; E396-V398 VanDerWaalsContact C-N 3.33Å; E396-V398 PolarHBondContact O-N 3.46Å; V398-K401 PolarHBondContact O-N 3.32Å; V398-L402 HydrophobicContact CG1-CD1 3.96Å; V398-L402 HydrophobicContact CG1-CG 4.5Å; V398-L402 WeakPolarHBondContact O-CB 3.35Å; V398-L402 PolarHBondContact O-N 3.1Å |
| 399 | T | 89.5 | Confident | 83.5 | Confident | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65 | -48.3 | -179.2 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | R395 E396 P397 K401 L402 N403 H448 L452 | R395-T399 WeakPolarHBondContact O-CB 3.22Å; R395-T399 PolarHBondContact O-N 3.07Å; R395-T399 PolarHBondContact O-OG1 2.92Å; E396-T399 PolarHBondContact O-N 2.99Å; E396-T399 VanDerWaalsContact O-N 3.17Å; P397-T399 VanDerWaalsContact C-N 3.34Å; P397-T399 PolarHBondContact O-N 3.37Å; T399-K401 PolarHBondContact O-N 2.96Å; T399-L402 PolarHBondContact O-N 2.99Å; T399-N403 WeakPolarHBondContact O-CB 3.47Å; T399-N403 PolarHBondContact O-N 3.08Å; T399-H448 HydrophobicContact CG2-CB 3.86Å; T399-H448 VanDerWaalsContact OG1-CB 3.26Å; T399-H448 WeakPolarHBondContact OG1-CB 3.37Å; T399-H448 PolarHBondContact OG1-ND1 3.43Å; T399-L452 HydrophobicContact CG2-CD1 4.31Å; T399-L452 HydrophobicContact CG2-CD2 4.23Å; T399-L452 HydrophobicContact CG2-CG 4.04Å |
| 400 | Q | 89.2 | Confident | 84.1 | Confident | 117 Ų | 117 | 41.7 Ų | 41.7 | 55% | 0.547 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.1 | -38.7 | 176.4 | -72.8 | -178.8 | 3.5 | 0 | 0 | 111 | E396 N403 Q404 | E396-Q400 HydrophobicContact CG-CG 4.43Å; E396-Q400 WeakPolarHBondContact O-CG 3.15Å; E396-Q400 PolarHBondContact O-N 2.97Å; E396-Q400 WeakPolarHBondContact OE1-CG 3.26Å; E396-Q400 PolarHBondContact OE1-NE2 2.91Å; Q400-N403 PolarHBondContact O-N 3.39Å; Q400-Q404 PolarHBondContact O-N 3.3Å |
| 401 | K | 87.1 | Confident | 85.2 | Confident | 26 Ų | 26 | 41.5 Ų | 41.5 | 11% | 0.113 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -80.1 | -35.9 | -175.6 | -164.5 | 70.6 | -156.8 | 179.6 | 0 | 113.3 | L331 I334 P397 V398 T399 N403 Q404 L405 | L331-K401 HydrophobicContact CD2-CD 3.97Å; I334-K401 HydrophobicContact CD1-CB 4.27Å; I334-K401 HydrophobicContact CD1-CD 3.89Å; I334-K401 HydrophobicContact CD1-CG 3.09Å; I334-K401 HydrophobicContact CG1-CG 4.32Å; I334-K401 HydrophobicContact CG2-CD 4.41Å; P397-K401 WeakPolarHBondContact O-CB 3.34Å; P397-K401 PolarHBondContact O-N 3.39Å; V398-K401 PolarHBondContact O-N 3.32Å; T399-K401 PolarHBondContact O-N 2.96Å; K401-N403 VanDerWaalsContact C-N 3.33Å; K401-Q404 WeakPolarHBondContact O-CB 3.43Å; K401-Q404 PolarHBondContact O-N 2.93Å; K401-L405 WeakPolarHBondContact O-CG 3.29Å; K401-L405 PolarHBondContact O-N 3.35Å |
| 402 | L | 90.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.1 | -41.8 | 166.5 | -83.5 | 169.5 | 0 | 0 | 0 | 111.5 | L382 M383 L386 V398 T399 Q404 L405 F406 L452 | L382-L402 HydrophobicContact CB-CD1 4.22Å; L382-L402 HydrophobicContact CB-CD2 3.66Å; L382-L402 HydrophobicContact CB-CG 3.94Å; L382-L402 HydrophobicContact CD1-CD2 4.02Å; L382-L402 HydrophobicContact CD1-CG 4.35Å; M383-L402 HydrophobicContact CG-CD1 4.43Å; M383-L402 HydrophobicContact CG-CD2 4.45Å; M383-L402 HydrophobicContact SD-CD1 3.67Å; M383-L402 HydrophobicContact SD-CD2 4.39Å; L386-L402 HydrophobicContact CD2-CD1 4.14Å; V398-L402 HydrophobicContact CG1-CD1 3.96Å; V398-L402 HydrophobicContact CG1-CG 4.5Å; V398-L402 WeakPolarHBondContact O-CB 3.35Å; V398-L402 PolarHBondContact O-N 3.1Å; T399-L402 PolarHBondContact O-N 2.99Å; L402-Q404 VanDerWaalsContact C-N 3.34Å; L402-Q404 PolarHBondContact O-N 2.89Å; L402-L405 HydrophobicContact CD2-CD1 4.37Å; L402-L405 WeakPolarHBondContact O-CB 3.38Å; L402-L405 PolarHBondContact O-N 3.22Å; L402-F406 HydrophobicContact CB-CE2 4.44Å; L402-F406 HydrophobicContact CD2-CZ 4.47Å; L402-F406 VanDerWaalsContact O-CD2 3.3Å; L402-F406 WeakPolarHBondContact O-CD2 3.27Å; L402-F406 WeakPolarHBondContact O-CG 3.19Å; L402-F406 PolarHBondContact O-N 3.04Å; L402-L452 HydrophobicContact CB-CD1 4.07Å; L402-L452 HydrophobicContact CB-CD2 3.75Å; L402-L452 HydrophobicContact CD1-CD1 3.79Å |
| 403 | N | 91 | Very high | 86.5 | Confident | 40 Ų | 40 | 37.6 Ų | 37.6 | 21% | 0.214 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.9 | -43.2 | 174.5 | -173.9 | -2.2 | 0 | 0 | 0 | 111.4 | T399 Q400 K401 F406 T407 L452 R455 | T399-N403 WeakPolarHBondContact O-CB 3.47Å; T399-N403 PolarHBondContact O-N 3.08Å; Q400-N403 PolarHBondContact O-N 3.39Å; K401-N403 VanDerWaalsContact C-N 3.33Å; N403-F406 PolarHBondContact O-N 3.46Å; N403-T407 WeakPolarHBondContact O-CB 3.23Å; N403-T407 PolarHBondContact O-N 2.93Å; N403-T407 PolarHBondContact O-OG1 2.7Å; N403-T407 PolarHBondContact OD1-OG1 2.7Å; N403-L452 HydrophobicContact CB-CD2 3.96Å; N403-R455 WeakPolarHBondContact OD1-CG 3.3Å; N403-R455 PolarHBondContact OD1-NE 2.96Å |
| 404 | Q | 88.6 | Confident | 86.9 | Confident | 72 Ų | 72 | 32 Ų | 32 | 34% | 0.336 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 173.4 | -170 | -178.1 | 2.8 | 0 | 0 | 111.3 | Q400 K401 L402 F406 T407 E408 | Q400-Q404 PolarHBondContact O-N 3.3Å; K401-Q404 WeakPolarHBondContact O-CB 3.43Å; K401-Q404 PolarHBondContact O-N 2.93Å; L402-Q404 VanDerWaalsContact C-N 3.34Å; L402-Q404 PolarHBondContact O-N 2.89Å; Q404-F406 PolarHBondContact O-N 3.26Å; Q404-T407 PolarHBondContact O-N 2.96Å; Q404-E408 VanDerWaalsContact CG-CD 3.43Å; Q404-E408 HydrophobicContact CG-CG 4.18Å; Q404-E408 VanDerWaalsContact CG-OE2 3.24Å; Q404-E408 WeakPolarHBondContact CG-OE2 3.46Å; Q404-E408 PolarHBondContact NE2-OE2 2.86Å; Q404-E408 WeakPolarHBondContact O-CB 3.13Å; Q404-E408 PolarHBondContact O-N 3.35Å |
| 405 | L | 90.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.5 | -48.6 | 175.7 | -82.3 | 175.2 | 0 | 0 | 0 | 112.3 | I334 L378 L382 K401 L402 T407 V409 V410 | I334-L405 HydrophobicContact CB-CD2 4.43Å; I334-L405 HydrophobicContact CD1-CD1 4.3Å; I334-L405 HydrophobicContact CG1-CD1 4.08Å; I334-L405 HydrophobicContact CG1-CD2 4.43Å; I334-L405 HydrophobicContact CG1-CG 4.41Å; I334-L405 HydrophobicContact CG2-CD1 4.44Å; I334-L405 HydrophobicContact CG2-CD2 3.42Å; I334-L405 VanDerWaalsContact CG2-CD2 3.42Å; I334-L405 HydrophobicContact CG2-CG 3.85Å; L378-L405 HydrophobicContact CD2-CD1 3.88Å; L378-L405 HydrophobicContact CD2-CD2 3.93Å; L378-L405 HydrophobicContact CG-CD1 4.06Å; L382-L405 HydrophobicContact CD1-CD1 3.36Å; K401-L405 WeakPolarHBondContact O-CG 3.29Å; K401-L405 PolarHBondContact O-N 3.35Å; L402-L405 HydrophobicContact CD2-CD1 4.37Å; L402-L405 WeakPolarHBondContact O-CB 3.38Å; L402-L405 PolarHBondContact O-N 3.22Å; L405-T407 VanDerWaalsContact C-N 3.28Å; L405-T407 PolarHBondContact O-N 3.48Å; L405-V409 HydrophobicContact CD2-CB 4.26Å; L405-V409 HydrophobicContact CD2-CG2 3.95Å; L405-V409 CarbonylContact O-C 3.38Å; L405-V409 WeakPolarHBondContact O-CA 3.25Å; L405-V409 WeakPolarHBondContact O-CB 3.49Å; L405-V409 PolarHBondContact O-N 2.79Å; L405-V410 PolarHBondContact O-N 3.27Å |
| 406 | F | 92.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -60.3 | -41.5 | 178.8 | -68.7 | -38.5 | 0 | 0 | 0 | 111.5 | V379 L402 N403 Q404 V410 H411 V430 F434 L452 F456 I459 | V379-F406 HydrophobicContact CG1-CE1 4.18Å; V379-F406 HydrophobicContact CG1-CZ 4.36Å; V379-F406 HydrophobicContact CG2-CE1 4.48Å; L402-F406 HydrophobicContact CB-CE2 4.44Å; L402-F406 HydrophobicContact CD2-CZ 4.47Å; L402-F406 VanDerWaalsContact O-CD2 3.3Å; L402-F406 WeakPolarHBondContact O-CD2 3.27Å; L402-F406 WeakPolarHBondContact O-CG 3.19Å; L402-F406 PolarHBondContact O-N 3.04Å; N403-F406 PolarHBondContact O-N 3.46Å; Q404-F406 PolarHBondContact O-N 3.26Å; F406-V410 HydrophobicContact CD1-CB 4.27Å; F406-V410 HydrophobicContact CD1-CG2 3.88Å; F406-H411 WeakPolarHBondContact O-CB 3.44Å; F406-H411 PolarHBondContact O-N 3.44Å; F406-V430 HydrophobicContact CE1-CG1 4.22Å; F406-V430 HydrophobicContact CZ-CG1 3.95Å; F406-F434 AromaticContact CE2-CZ 3.93Å; F406-F434 HydrophobicContact CE2-CZ 3.93Å; F406-F434 HydrophobicContact CZ-CZ 4.11Å; F406-L452 HydrophobicContact CD2-CD2 4.11Å; F406-L452 HydrophobicContact CE2-CB 4.33Å; F406-L452 HydrophobicContact CE2-CD2 4.05Å; F406-F456 AromaticContact CD1-CD2 3.94Å; F406-F456 HydrophobicContact CD1-CD2 3.94Å; F406-F456 HydrophobicContact CD1-CE2 4.2Å; F406-F456 HydrophobicContact CE1-CD2 4.06Å; F406-F456 HydrophobicContact CE1-CE2 4.16Å; F406-F456 HydrophobicContact CG-CD2 4.23Å; F406-F456 HydrophobicContact CZ-CD2 4.41Å; F406-I459 HydrophobicContact CB-CD1 3.7Å; F406-I459 VanDerWaalsContact O-CD1 3.28Å; F406-I459 WeakPolarHBondContact O-CD1 3.24Å |
| 407 | T | 87.6 | Confident | 86.1 | Confident | 45 Ų | 45 | 33.7 Ų | 33.7 | 28% | 0.276 | 18% | 0.18 | S | C | . | . | I | π-helix | trans | -74.8 | -48.5 | -176.6 | -49 | 0 | 0 | 0 | 0 | 113.2 | N403 Q404 L405 R455 | N403-T407 WeakPolarHBondContact O-CB 3.23Å; N403-T407 PolarHBondContact O-N 2.93Å; N403-T407 PolarHBondContact O-OG1 2.7Å; N403-T407 PolarHBondContact OD1-OG1 2.7Å; Q404-T407 PolarHBondContact O-N 2.96Å; L405-T407 VanDerWaalsContact C-N 3.28Å; L405-T407 PolarHBondContact O-N 3.48Å; T407-R455 VanDerWaalsContact CG2-NH2 3.3Å; T407-R455 PolarHBondContact OG1-NE 3.27Å; T407-R455 PolarHBondContact OG1-NH2 2.73Å |
| 408 | E | 85.4 | Confident | 85.5 | Confident | 111 Ų | 111 | 37.4 Ų | 37.4 | 52% | 0.519 | 19% | 0.194 | S | C | . | . | I | π-helix | trans | -97.9 | -22.7 | -166.4 | -65.2 | 177.8 | -174.5 | 0 | 0 | 112.9 | Q404 P412 | Q404-E408 VanDerWaalsContact CG-CD 3.43Å; Q404-E408 HydrophobicContact CG-CG 4.18Å; Q404-E408 VanDerWaalsContact CG-OE2 3.24Å; Q404-E408 WeakPolarHBondContact CG-OE2 3.46Å; Q404-E408 PolarHBondContact NE2-OE2 2.86Å; Q404-E408 WeakPolarHBondContact O-CB 3.13Å; Q404-E408 PolarHBondContact O-N 3.35Å; E408-P412 WeakPolarHBondContact O-CG 3.4Å |
| 409 | V | 87.1 | Confident | 84.8 | Confident | 11 Ų | 11 | 37.3 Ų | 37.3 | 7% | 0.067 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -114.8 | -58.1 | -176.7 | -173.2 | 0 | 0 | 0 | 0 | 111 | A338 C341 L375 L405 P412 Q413 | A338-V409 HydrophobicContact CB-CG2 3.96Å; C341-V409 HydrophobicContact CB-CG1 3.73Å; L375-V409 HydrophobicContact CD1-CG1 3.86Å; L375-V409 HydrophobicContact CD2-CG1 4.25Å; L405-V409 HydrophobicContact CD2-CB 4.26Å; L405-V409 HydrophobicContact CD2-CG2 3.95Å; L405-V409 CarbonylContact O-C 3.38Å; L405-V409 WeakPolarHBondContact O-CA 3.25Å; L405-V409 WeakPolarHBondContact O-CB 3.49Å; L405-V409 PolarHBondContact O-N 2.79Å; V409-P412 VanDerWaalsContact O-CD 3.28Å; V409-P412 WeakPolarHBondContact O-CD 3.47Å; V409-P412 VanDerWaalsContact O-CG 3.32Å; V409-P412 WeakPolarHBondContact O-CG 3.44Å; V409-Q413 WeakPolarHBondContact O-CB 3.41Å; V409-Q413 WeakPolarHBondContact O-CG 3.36Å; V409-Q413 PolarHBondContact O-N 3.1Å; V409-Q413 VanDerWaalsContact O-N 3.13Å |
| 410 | V | 88.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -67 | -46.8 | -174.2 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | L375 L405 F406 Q413 L414 L419 F426 | L375-V410 HydrophobicContact CD1-CG2 4.15Å; L375-V410 HydrophobicContact CD2-CG2 4.17Å; L375-V410 HydrophobicContact CG-CG2 4.45Å; L405-V410 PolarHBondContact O-N 3.27Å; F406-V410 HydrophobicContact CD1-CB 4.27Å; F406-V410 HydrophobicContact CD1-CG2 3.88Å; V410-Q413 PolarHBondContact O-N 2.96Å; V410-L414 HydrophobicContact CG1-CD1 3.74Å; V410-L414 HydrophobicContact CG1-CG 4.09Å; V410-L414 WeakPolarHBondContact O-CB 3.21Å; V410-L414 WeakPolarHBondContact O-CG 3.47Å; V410-L414 PolarHBondContact O-N 3.18Å; V410-L419 HydrophobicContact CG1-CD2 4.33Å; V410-F426 HydrophobicContact CG1-CE1 3.71Å; V410-F426 HydrophobicContact CG1-CZ 4.06Å; V410-F426 HydrophobicContact CG2-CZ 4.12Å |
| 411 | H | 88.2 | Confident | 83.3 | Confident | 60 Ų | 60 | 38 Ų | 38 | 28% | 0.278 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -55.4 | -53.4 | 178.7 | 174.9 | -91.1 | 0 | 0 | 0 | 113.1 | F406 Q413 L414 V415 I459 | F406-H411 WeakPolarHBondContact O-CB 3.44Å; F406-H411 PolarHBondContact O-N 3.44Å; H411-Q413 PolarHBondContact O-N 3.19Å; H411-L414 PolarHBondContact O-N 3.05Å; H411-V415 WeakPolarHBondContact O-CG2 3.3Å; H411-V415 PolarHBondContact O-N 3.43Å; H411-V415 VanDerWaalsContact O-N 3.14Å; H411-I459 HydrophobicContact CB-CD1 4.44Å; H411-I459 HydrophobicContact CB-CG1 4.26Å; H411-I459 HydrophobicContact CB-CG2 3.99Å |
| 412 | P | 84 | Confident | 82.8 | Confident | 32 Ų | 32 | 39.2 Ų | 39.2 | 21% | 0.208 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.7 | -37.9 | 176.2 | 20.4 | -28.4 | 0 | 0 | 0 | 113 | E408 V409 L414 V415 S416 | E408-P412 WeakPolarHBondContact O-CG 3.4Å; V409-P412 VanDerWaalsContact O-CD 3.28Å; V409-P412 WeakPolarHBondContact O-CD 3.47Å; V409-P412 VanDerWaalsContact O-CG 3.32Å; V409-P412 WeakPolarHBondContact O-CG 3.44Å; P412-L414 VanDerWaalsContact C-N 3.33Å; P412-L414 PolarHBondContact O-N 3.19Å; P412-V415 PolarHBondContact O-N 3.03Å; P412-S416 PolarHBondContact O-N 3.46Å; P412-S416 PolarHBondContact O-OG 3.49Å |
| 413 | Q | 83.1 | Confident | 82.4 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.5 | -37.9 | 177.3 | -69.4 | -64 | -50.5 | 0 | 0 | 112.6 | C341 S344 N372 L375 V409 V410 H411 C417 Q418 L419 | C341-Q413 HydrophobicContact CB-CG 4.1Å; C341-Q413 PolarHBondContact O-NE2 3.3Å; S344-Q413 PolarHBondContact OG-NE2 3.23Å; S344-Q413 VanDerWaalsContact OG-NE2 3.09Å; S344-Q413 PolarHBondContact OG-OE1 2.73Å; S344-Q413 VanDerWaalsContact OG-OE1 3.11Å; N372-Q413 PolarHBondContact OD1-OE1 2.92Å; L375-Q413 HydrophobicContact CD2-CG 4.43Å; V409-Q413 WeakPolarHBondContact O-CB 3.41Å; V409-Q413 WeakPolarHBondContact O-CG 3.36Å; V409-Q413 PolarHBondContact O-N 3.1Å; V409-Q413 VanDerWaalsContact O-N 3.13Å; V410-Q413 PolarHBondContact O-N 2.96Å; H411-Q413 PolarHBondContact O-N 3.19Å; Q413-C417 CarbonylContact O-C 3.58Å; Q413-C417 VanDerWaalsContact O-C 3.25Å; Q413-C417 WeakPolarHBondContact O-CA 3.37Å; Q413-C417 WeakPolarHBondContact O-CB 3.33Å; Q413-C417 PolarHBondContact O-N 3.46Å; Q413-Q418 PolarHBondContact O-N 3.01Å; Q413-L419 HydrophobicContact CB-CB 4.37Å; Q413-L419 HydrophobicContact CB-CD2 4.27Å |
| 414 | L | 81.9 | Confident | 81.8 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.6 | -38.4 | 173.7 | -78 | 172.5 | 0 | 0 | 0 | 112.5 | V410 H411 P412 L419 I427 I459 V463 F464 | V410-L414 HydrophobicContact CG1-CD1 3.74Å; V410-L414 HydrophobicContact CG1-CG 4.09Å; V410-L414 WeakPolarHBondContact O-CB 3.21Å; V410-L414 WeakPolarHBondContact O-CG 3.47Å; V410-L414 PolarHBondContact O-N 3.18Å; H411-L414 PolarHBondContact O-N 3.05Å; P412-L414 VanDerWaalsContact C-N 3.33Å; P412-L414 PolarHBondContact O-N 3.19Å; L414-L419 HydrophobicContact CD2-CB 4.06Å; L414-L419 HydrophobicContact CD2-CD2 3.99Å; L414-L419 HydrophobicContact CD2-CG 4.22Å; L414-L419 HydrophobicContact CG-CD2 4.07Å; L414-I427 HydrophobicContact CD2-CD1 3.98Å; L414-I427 HydrophobicContact CD2-CG1 4.47Å; L414-I459 HydrophobicContact CD1-CG2 3.95Å; L414-V463 HydrophobicContact CB-CG1 4.06Å; L414-V463 HydrophobicContact CB-CG2 3.96Å; L414-V463 HydrophobicContact CD1-CG2 4.46Å; L414-F464 HydrophobicContact CD2-CE2 4.45Å; L414-F464 HydrophobicContact CD2-CZ 4.16Å |
| 415 | V | 82.2 | Confident | 81.6 | Confident | 96 Ų | 96 | 44.2 Ų | 44.2 | 58% | 0.582 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -76 | -46.8 | -177.5 | 173.8 | 0 | 0 | 0 | 0 | 112.3 | H411 P412 V463 | H411-V415 WeakPolarHBondContact O-CG2 3.3Å; H411-V415 PolarHBondContact O-N 3.43Å; H411-V415 VanDerWaalsContact O-N 3.14Å; P412-V415 PolarHBondContact O-N 3.03Å; V415-V463 HydrophobicContact CG2-CG2 3.85Å |
| 416 | S | 78 | Confident | 81.5 | Confident | 40 Ų | 40 | 44.2 Ų | 44.2 | 28% | 0.28 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -110.8 | -23.1 | -168.3 | 57.2 | 0 | 0 | 0 | 0 | 114.9 | L345 P412 | L345-S416 WeakPolarHBondContact CD1-OG 3.47Å; P412-S416 PolarHBondContact O-N 3.46Å; P412-S416 PolarHBondContact O-OG 3.49Å |
| 417 | C | 71.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -114.7 | 29.4 | -172.7 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | Q368 Q413 L419 | Q368-C417 HydrophobicContact CG-CB 4.36Å; Q368-C417 PolarHBondContact NE2-O 3.48Å; Q413-C417 CarbonylContact O-C 3.58Å; Q413-C417 VanDerWaalsContact O-C 3.25Å; Q413-C417 WeakPolarHBondContact O-CA 3.37Å; Q413-C417 WeakPolarHBondContact O-CB 3.33Å; Q413-C417 PolarHBondContact O-N 3.46Å; C417-L419 PolarHBondContact O-N 3.42Å |
| 418 | Q | 70.6 | Confident | 81.2 | Confident | 114 Ų | 114 | 43.6 Ų | 43.6 | 53% | 0.533 | 24% | 0.241 | S | C | . | . | trans | 41.5 | 39.3 | 169.1 | -72.5 | -178.4 | -20.4 | 0 | 0 | 113.6 | Q413 A420 D421 I422 | Q413-Q418 PolarHBondContact O-N 3.01Å; Q418-A420 PolarHBondContact O-N 3.41Å; Q418-A420 VanDerWaalsContact O-N 3.12Å; Q418-D421 HydrophobicContact CB-CB 4.18Å; Q418-D421 WeakPolarHBondContact CB-OD2 3.4Å; Q418-D421 WeakPolarHBondContact CG-OD2 3.44Å; Q418-D421 PolarHBondContact O-N 3.24Å; Q418-I422 PolarHBondContact O-N 3.26Å | ||
| 419 | L | 75 | Confident | 81.4 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.2 | -34.6 | -172.2 | 169.9 | 66.2 | 0 | 0 | 0 | 111 | N372 L375 V410 Q413 L414 C417 D421 I422 L423 F426 | N372-L419 HydrophobicContact CB-CD1 3.6Å; L375-L419 HydrophobicContact CD2-CD2 4.19Å; V410-L419 HydrophobicContact CG1-CD2 4.33Å; Q413-L419 HydrophobicContact CB-CB 4.37Å; Q413-L419 HydrophobicContact CB-CD2 4.27Å; L414-L419 HydrophobicContact CD2-CB 4.06Å; L414-L419 HydrophobicContact CD2-CD2 3.99Å; L414-L419 HydrophobicContact CD2-CG 4.22Å; L414-L419 HydrophobicContact CG-CD2 4.07Å; C417-L419 PolarHBondContact O-N 3.42Å; L419-D421 VanDerWaalsContact C-N 3.32Å; L419-D421 PolarHBondContact O-N 3.26Å; L419-I422 PolarHBondContact O-N 3.12Å; L419-L423 PolarHBondContact O-N 2.77Å; L419-F426 HydrophobicContact CD2-CD1 3.85Å; L419-F426 HydrophobicContact CD2-CE1 3.79Å; L419-F426 HydrophobicContact CD2-CG 4.45Å; L419-F426 HydrophobicContact CD2-CZ 4.34Å; L419-F426 HydrophobicContact CG-CD1 4.34Å |
| 420 | A | 70.8 | Confident | 81.5 | Confident | 22 Ų | 22 | 40.5 Ų | 40.5 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.9 | -30.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q418 P424 F464 | Q418-A420 PolarHBondContact O-N 3.41Å; Q418-A420 VanDerWaalsContact O-N 3.12Å; A420-P424 VanDerWaalsContact O-CA 3.25Å; A420-P424 WeakPolarHBondContact O-CA 3.32Å; A420-F464 HydrophobicContact CB-CE1 3.63Å; A420-F464 HydrophobicContact CB-CZ 3.64Å |
| 421 | D | 74.7 | Confident | 81.6 | Confident | 115 Ų | 115 | 40.5 Ų | 40.5 | 62% | 0.615 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -80.2 | -33.6 | -179.9 | -56.1 | -33.7 | 0 | 0 | 0 | 110.8 | Q418 L419 | Q418-D421 HydrophobicContact CB-CB 4.18Å; Q418-D421 WeakPolarHBondContact CB-OD2 3.4Å; Q418-D421 WeakPolarHBondContact CG-OD2 3.44Å; Q418-D421 PolarHBondContact O-N 3.24Å; L419-D421 VanDerWaalsContact C-N 3.32Å; L419-D421 PolarHBondContact O-N 3.26Å |
| 422 | I | 77.6 | Confident | 81.7 | Confident | 51 Ų | 51 | 40 Ų | 40 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -82.1 | -41.6 | -178.9 | -56.9 | 173.2 | 0 | 0 | 0 | 111.4 | Q368 R369 Q418 L419 | Q368-I422 HydrophobicContact CB-CD1 4.37Å; Q368-I422 HydrophobicContact CG-CD1 3.51Å; Q368-I422 VanDerWaalsContact NE2-CD1 3.29Å; R369-I422 HydrophobicContact CB-CG2 4.35Å; R369-I422 HydrophobicContact CG-CG2 4.3Å; Q418-I422 PolarHBondContact O-N 3.26Å; L419-I422 PolarHBondContact O-N 3.12Å |
| 423 | L | 82.2 | Confident | 81.9 | Confident | 28 Ų | 28 | 40.5 Ų | 40.5 | 15% | 0.147 | 23% | 0.231 | C | C | . | . | trans | -124.8 | 81.7 | 175.4 | -80.4 | 94.7 | 0 | 0 | 0 | 109.8 | N372 D376 L419 D425 F426 | N372-L423 HydrophobicContact CB-CD1 3.62Å; D376-L423 HydrophobicContact CB-CD2 3.77Å; L419-L423 PolarHBondContact O-N 2.77Å; L423-D425 PolarHBondContact O-N 2.72Å; L423-F426 HydrophobicContact CB-CB 3.95Å; L423-F426 VanDerWaalsContact O-CB 3.31Å; L423-F426 WeakPolarHBondContact O-CB 3.41Å; L423-F426 PolarHBondContact O-N 3.07Å; L423-F426 VanDerWaalsContact O-N 3.1Å | ||
| 424 | P | 79 | Confident | 82.3 | Confident | 81 Ų | 81 | 40.3 Ų | 40.3 | 53% | 0.526 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -31.8 | 179.6 | 23.5 | -33.5 | 0 | 0 | 0 | 112.7 | A420 F426 P428 | A420-P424 VanDerWaalsContact O-CA 3.25Å; A420-P424 WeakPolarHBondContact O-CA 3.32Å; P424-F426 VanDerWaalsContact C-N 3.29Å; P424-F426 PolarHBondContact O-N 3.34Å; P424-P428 VanDerWaalsContact O-CD 3.24Å; P424-P428 WeakPolarHBondContact O-CD 3.49Å |
| 425 | D | 83.1 | Confident | 82.6 | Confident | 108 Ų | 108 | 40.2 Ų | 40.2 | 58% | 0.578 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -9.3 | -179.9 | -60.9 | -34.5 | 0 | 0 | 0 | 113.8 | L423 I427 P428 N429 | L423-D425 PolarHBondContact O-N 2.72Å; D425-I427 PolarHBondContact O-N 3.46Å; D425-P428 WeakPolarHBondContact O-CD 3.31Å; D425-N429 WeakPolarHBondContact O-CB 3.06Å; D425-N429 PolarHBondContact O-N 3.06Å; D425-N429 PolarHBondContact O-ND2 3.46Å |
| 426 | F | 88.8 | Confident | 82.8 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.4 | -50.2 | -175.7 | 175.1 | -99 | 0 | 0 | 0 | 112.2 | D376 V379 V410 L419 L423 P424 N429 V430 | D376-F426 HydrophobicContact CB-CD2 4.08Å; V379-F426 HydrophobicContact CB-CE2 4.33Å; V379-F426 HydrophobicContact CG2-CE2 4.19Å; V379-F426 HydrophobicContact CG2-CZ 4.27Å; V410-F426 HydrophobicContact CG1-CE1 3.71Å; V410-F426 HydrophobicContact CG1-CZ 4.06Å; V410-F426 HydrophobicContact CG2-CZ 4.12Å; L419-F426 HydrophobicContact CD2-CD1 3.85Å; L419-F426 HydrophobicContact CD2-CE1 3.79Å; L419-F426 HydrophobicContact CD2-CG 4.45Å; L419-F426 HydrophobicContact CD2-CZ 4.34Å; L419-F426 HydrophobicContact CG-CD1 4.34Å; L423-F426 HydrophobicContact CB-CB 3.95Å; L423-F426 VanDerWaalsContact O-CB 3.31Å; L423-F426 WeakPolarHBondContact O-CB 3.41Å; L423-F426 PolarHBondContact O-N 3.07Å; L423-F426 VanDerWaalsContact O-N 3.1Å; P424-F426 VanDerWaalsContact C-N 3.29Å; P424-F426 PolarHBondContact O-N 3.34Å; F426-N429 PolarHBondContact O-N 3.02Å; F426-V430 HydrophobicContact CE1-CG2 4.37Å; F426-V430 HydrophobicContact CE2-CG2 4.28Å; F426-V430 HydrophobicContact CZ-CG2 4.14Å; F426-V430 WeakPolarHBondContact O-CG2 3.22Å; F426-V430 PolarHBondContact O-N 2.92Å; F426-V430 VanDerWaalsContact O-N 3.07Å |
| 427 | I | 87.8 | Confident | 83 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.8 | -51.7 | -179.4 | -65.3 | 171.5 | 0 | 0 | 0 | 111.2 | L414 D425 N429 V430 L431 F456 I460 F464 F472 | L414-I427 HydrophobicContact CD2-CD1 3.98Å; L414-I427 HydrophobicContact CD2-CG1 4.47Å; D425-I427 PolarHBondContact O-N 3.46Å; I427-N429 VanDerWaalsContact C-N 3.28Å; I427-N429 PolarHBondContact O-N 3.25Å; I427-V430 PolarHBondContact O-N 3.36Å; I427-L431 HydrophobicContact CG2-CD1 3.84Å; I427-L431 HydrophobicContact CG2-CG 4.4Å; I427-L431 WeakPolarHBondContact O-CG 3.37Å; I427-L431 PolarHBondContact O-N 3.34Å; I427-F456 HydrophobicContact CG2-CE1 4.39Å; I427-F456 HydrophobicContact CG2-CZ 4.44Å; I427-I460 HydrophobicContact CG2-CD1 4.05Å; I427-F464 HydrophobicContact CD1-CE1 4.48Å; I427-F464 HydrophobicContact CD1-CE2 3.4Å; I427-F464 VanDerWaalsContact CD1-CE2 3.4Å; I427-F464 HydrophobicContact CD1-CZ 3.32Å; I427-F472 HydrophobicContact CB-CE1 4.33Å; I427-F472 HydrophobicContact CD1-CZ 4.16Å; I427-F472 HydrophobicContact CG2-CD1 4.25Å; I427-F472 HydrophobicContact CG2-CE1 4.17Å; I427-F472 HydrophobicContact CG2-CZ 4.43Å |
| 428 | P | 87.2 | Confident | 83.6 | Confident | 29 Ų | 29 | 36.2 Ų | 36.2 | 19% | 0.188 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -51.9 | -44.3 | 173 | -28 | 34.6 | 0 | 0 | 0 | 113.1 | P424 D425 V430 L431 C432 F472 | P424-P428 VanDerWaalsContact O-CD 3.24Å; P424-P428 WeakPolarHBondContact O-CD 3.49Å; D425-P428 WeakPolarHBondContact O-CD 3.31Å; P428-V430 PolarHBondContact O-N 2.99Å; P428-L431 PolarHBondContact O-N 2.76Å; P428-C432 WeakPolarHBondContact O-CB 3.46Å; P428-C432 PolarHBondContact O-N 3.21Å; P428-C432 PolarHBondContact O-SG 2.76Å; P428-F472 HydrophobicContact CG-CD1 4.4Å |
| 429 | N | 88.1 | Confident | 84 | Confident | 54 Ų | 54 | 36.5 Ų | 36.5 | 29% | 0.289 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.4 | -41.7 | -180 | -74.4 | -29 | 0 | 0 | 0 | 112.8 | D425 F426 I427 L431 C432 N433 | D425-N429 WeakPolarHBondContact O-CB 3.06Å; D425-N429 PolarHBondContact O-N 3.06Å; D425-N429 PolarHBondContact O-ND2 3.46Å; F426-N429 PolarHBondContact O-N 3.02Å; I427-N429 VanDerWaalsContact C-N 3.28Å; I427-N429 PolarHBondContact O-N 3.25Å; N429-L431 VanDerWaalsContact C-N 3.34Å; N429-C432 PolarHBondContact O-N 2.99Å; N429-N433 WeakPolarHBondContact O-CB 3.32Å; N429-N433 PolarHBondContact O-N 2.82Å; N429-N433 PolarHBondContact O-ND2 2.89Å |
| 430 | V | 90.2 | Very high | 83.8 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64 | -42.5 | 175.9 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | V379 F406 F426 I427 P428 N433 F434 F456 | V379-V430 HydrophobicContact CG1-CG2 3.77Å; F406-V430 HydrophobicContact CE1-CG1 4.22Å; F406-V430 HydrophobicContact CZ-CG1 3.95Å; F426-V430 HydrophobicContact CE1-CG2 4.37Å; F426-V430 HydrophobicContact CE2-CG2 4.28Å; F426-V430 HydrophobicContact CZ-CG2 4.14Å; F426-V430 WeakPolarHBondContact O-CG2 3.22Å; F426-V430 PolarHBondContact O-N 2.92Å; F426-V430 VanDerWaalsContact O-N 3.07Å; I427-V430 PolarHBondContact O-N 3.36Å; P428-V430 PolarHBondContact O-N 2.99Å; V430-N433 PolarHBondContact O-N 3.42Å; V430-F434 HydrophobicContact CG1-CD2 4.15Å; V430-F434 HydrophobicContact CG1-CE2 3.5Å; V430-F434 VanDerWaalsContact CG1-CE2 3.5Å; V430-F434 HydrophobicContact CG1-CZ 3.84Å; V430-F434 WeakPolarHBondContact O-CD2 3.32Å; V430-F434 WeakPolarHBondContact O-CG 3.37Å; V430-F434 PolarHBondContact O-N 3.22Å; V430-F434 VanDerWaalsContact O-N 3.1Å; V430-F456 HydrophobicContact CB-CE1 3.87Å; V430-F456 HydrophobicContact CB-CE2 4.49Å; V430-F456 HydrophobicContact CB-CZ 3.77Å; V430-F456 HydrophobicContact CG1-CD1 3.9Å; V430-F456 HydrophobicContact CG1-CD2 4.27Å; V430-F456 HydrophobicContact CG1-CE1 3.5Å; V430-F456 HydrophobicContact CG1-CE2 3.96Å; V430-F456 HydrophobicContact CG1-CG 4.26Å; V430-F456 HydrophobicContact CG1-CZ 3.57Å; V430-F456 HydrophobicContact CG2-CZ 4.31Å |
| 431 | L | 90.9 | Very high | 83.4 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 177.1 | -64.8 | 170.4 | 0 | 0 | 0 | 112.1 | I427 P428 N429 N433 F434 I435 F456 I460 L475 L478 | I427-L431 HydrophobicContact CG2-CD1 3.84Å; I427-L431 HydrophobicContact CG2-CG 4.4Å; I427-L431 WeakPolarHBondContact O-CG 3.37Å; I427-L431 PolarHBondContact O-N 3.34Å; P428-L431 PolarHBondContact O-N 2.76Å; N429-L431 VanDerWaalsContact C-N 3.34Å; L431-N433 VanDerWaalsContact C-N 3.3Å; L431-N433 PolarHBondContact O-N 3.38Å; L431-F434 HydrophobicContact CD2-CD2 4.41Å; L431-F434 WeakPolarHBondContact O-CB 3.34Å; L431-F434 PolarHBondContact O-N 3.21Å; L431-I435 WeakPolarHBondContact O-CG1 3.25Å; L431-I435 PolarHBondContact O-N 2.91Å; L431-F456 HydrophobicContact CD2-CD1 3.87Å; L431-F456 HydrophobicContact CD2-CE1 3.87Å; L431-F456 HydrophobicContact CG-CE1 4.04Å; L431-I460 HydrophobicContact CD2-CD1 4.34Å; L431-L475 HydrophobicContact CD1-CB 3.8Å; L431-L478 HydrophobicContact CD2-CD2 3.77Å |
| 432 | C | 89.4 | Confident | 83.2 | Confident | 49 Ų | 49 | 46 Ų | 46 | 33% | 0.331 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.4 | -39.6 | 174.6 | -70.8 | 0 | 0 | 0 | 0 | 111.6 | P428 N429 F434 I435 T436 | P428-C432 WeakPolarHBondContact O-CB 3.46Å; P428-C432 PolarHBondContact O-N 3.21Å; P428-C432 PolarHBondContact O-SG 2.76Å; N429-C432 PolarHBondContact O-N 2.99Å; C432-F434 VanDerWaalsContact C-N 3.29Å; C432-F434 PolarHBondContact O-N 3.47Å; C432-I435 WeakPolarHBondContact O-CB 3.29Å; C432-I435 PolarHBondContact O-N 3.27Å; C432-T436 WeakPolarHBondContact O-CG2 3.42Å; C432-T436 PolarHBondContact O-N 3.34Å; C432-T436 PolarHBondContact O-OG1 3.28Å |
| 433 | N | 88 | Confident | 83 | Confident | 42 Ų | 42 | 44.6 Ų | 44.6 | 23% | 0.225 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.2 | -31.4 | 174.1 | -75.2 | -47 | 0 | 0 | 0 | 113.1 | M383 N429 V430 L431 T436 G437 | M383-N433 HydrophobicContact CB-CB 4.46Å; M383-N433 HydrophobicContact CE-CB 3.76Å; N429-N433 WeakPolarHBondContact O-CB 3.32Å; N429-N433 PolarHBondContact O-N 2.82Å; N429-N433 PolarHBondContact O-ND2 2.89Å; V430-N433 PolarHBondContact O-N 3.42Å; L431-N433 VanDerWaalsContact C-N 3.3Å; L431-N433 PolarHBondContact O-N 3.38Å; N433-T436 WeakPolarHBondContact CA-OG1 3.03Å; N433-T436 PolarHBondContact O-OG1 2.88Å; N433-T436 VanDerWaalsContact O-OG1 3.1Å; N433-G437 PolarHBondContact O-N 3.34Å |
| 434 | F | 91.9 | Very high | 82.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.1 | -40.2 | 171.2 | -67.6 | -41.3 | 0 | 0 | 0 | 112.1 | M383 F406 V430 L431 C432 G437 L438 M449 L452 I453 F456 L478 | M383-F434 HydrophobicContact CE-CD1 3.52Å; M383-F434 HydrophobicContact CE-CE1 3.46Å; M383-F434 VanDerWaalsContact CE-CE1 3.46Å; M383-F434 HydrophobicContact CE-CG 4.48Å; M383-F434 HydrophobicContact CE-CZ 4.4Å; M383-F434 HydrophobicContact SD-CE1 4.08Å; F406-F434 AromaticContact CE2-CZ 3.93Å; F406-F434 HydrophobicContact CE2-CZ 3.93Å; F406-F434 HydrophobicContact CZ-CZ 4.11Å; V430-F434 HydrophobicContact CG1-CD2 4.15Å; V430-F434 HydrophobicContact CG1-CE2 3.5Å; V430-F434 VanDerWaalsContact CG1-CE2 3.5Å; V430-F434 HydrophobicContact CG1-CZ 3.84Å; V430-F434 WeakPolarHBondContact O-CD2 3.32Å; V430-F434 WeakPolarHBondContact O-CG 3.37Å; V430-F434 PolarHBondContact O-N 3.22Å; V430-F434 VanDerWaalsContact O-N 3.1Å; L431-F434 HydrophobicContact CD2-CD2 4.41Å; L431-F434 WeakPolarHBondContact O-CB 3.34Å; L431-F434 PolarHBondContact O-N 3.21Å; C432-F434 VanDerWaalsContact C-N 3.29Å; C432-F434 PolarHBondContact O-N 3.47Å; F434-G437 PolarHBondContact O-N 2.87Å; F434-L438 WeakPolarHBondContact O-CG 3.41Å; F434-L438 PolarHBondContact O-N 3.18Å; F434-M449 HydrophobicContact CD1-SD 3.94Å; F434-M449 HydrophobicContact CE1-SD 4.29Å; F434-L452 HydrophobicContact CE1-CB 3.63Å; F434-L452 HydrophobicContact CE1-CD1 4.35Å; F434-L452 HydrophobicContact CZ-CB 3.85Å; F434-I453 HydrophobicContact CB-CD1 3.95Å; F434-I453 HydrophobicContact CB-CG1 3.71Å; F434-I453 HydrophobicContact CD1-CD1 4.45Å; F434-I453 HydrophobicContact CD1-CG1 3.75Å; F434-I453 HydrophobicContact CD2-CG1 3.74Å; F434-I453 HydrophobicContact CE1-CG1 4.28Å; F434-I453 HydrophobicContact CE2-CG1 4.25Å; F434-I453 HydrophobicContact CG-CD1 4.21Å; F434-I453 HydrophobicContact CG-CG1 3.47Å; F434-I453 VanDerWaalsContact CG-CG1 3.47Å; F434-F456 HydrophobicContact CD2-CD1 4.42Å; F434-F456 HydrophobicContact CE2-CB 3.87Å; F434-F456 AromaticContact CE2-CD1 3.68Å; F434-F456 HydrophobicContact CE2-CD1 3.68Å; F434-F456 HydrophobicContact CE2-CE1 4.43Å; F434-F456 AromaticContact CE2-CG 3.92Å; F434-F456 HydrophobicContact CE2-CG 3.92Å; F434-F456 HydrophobicContact CZ-CB 4.28Å; F434-L478 HydrophobicContact CB-CD1 3.97Å; F434-L478 HydrophobicContact CB-CD2 4.19Å; F434-L478 HydrophobicContact CD2-CD2 4.35Å |
| 435 | I | 88.3 | Confident | 82.8 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.2 | -52.2 | 175.5 | -65.9 | 166.9 | 0 | 0 | 0 | 110 | L431 C432 G437 L438 Q439 E477 L478 V481 | L431-I435 WeakPolarHBondContact O-CG1 3.25Å; L431-I435 PolarHBondContact O-N 2.91Å; C432-I435 WeakPolarHBondContact O-CB 3.29Å; C432-I435 PolarHBondContact O-N 3.27Å; I435-G437 VanDerWaalsContact C-N 3.33Å; I435-G437 PolarHBondContact O-N 3.27Å; I435-L438 PolarHBondContact O-N 3.46Å; I435-L438 VanDerWaalsContact O-N 3.16Å; I435-Q439 HydrophobicContact CG2-CG 4.44Å; I435-Q439 WeakPolarHBondContact O-CG 3.15Å; I435-Q439 PolarHBondContact O-N 2.93Å; I435-E477 HydrophobicContact CD1-CB 3.97Å; I435-E477 HydrophobicContact CD1-CG 3.9Å; I435-L478 HydrophobicContact CD1-CB 4.17Å; I435-L478 HydrophobicContact CG1-CB 3.87Å; I435-L478 HydrophobicContact CG1-CD1 3.84Å; I435-L478 HydrophobicContact CG1-CG 4.44Å; I435-V481 HydrophobicContact CG2-CG2 4.47Å |
| 436 | T | 85.3 | Confident | 83 | Confident | 46 Ų | 46 | 38.8 Ų | 38.8 | 28% | 0.282 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61 | -43.8 | 178.5 | 58.3 | 0 | 0 | 0 | 0 | 110.8 | C432 N433 L438 Q439 Y440 | C432-T436 WeakPolarHBondContact O-CG2 3.42Å; C432-T436 PolarHBondContact O-N 3.34Å; C432-T436 PolarHBondContact O-OG1 3.28Å; N433-T436 WeakPolarHBondContact CA-OG1 3.03Å; N433-T436 PolarHBondContact O-OG1 2.88Å; N433-T436 VanDerWaalsContact O-OG1 3.1Å; T436-L438 VanDerWaalsContact C-N 3.25Å; T436-L438 PolarHBondContact O-N 3.06Å; T436-Q439 PolarHBondContact O-N 3.24Å; T436-Y440 WeakPolarHBondContact O-CD2 3.25Å; T436-Y440 PolarHBondContact O-N 2.87Å |
| 437 | G | 83.2 | Confident | 82.9 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.2 | -33 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N433 F434 I435 | N433-G437 PolarHBondContact O-N 3.34Å; F434-G437 PolarHBondContact O-N 2.87Å; I435-G437 VanDerWaalsContact C-N 3.33Å; I435-G437 PolarHBondContact O-N 3.27Å |
| 438 | L | 83.3 | Confident | 83 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -83.4 | -24.8 | 174.5 | -70.4 | 176.6 | 0 | 0 | 0 | 113.3 | F434 I435 T436 W446 M449 L450 I453 L478 I482 L485 | F434-L438 WeakPolarHBondContact O-CG 3.41Å; F434-L438 PolarHBondContact O-N 3.18Å; I435-L438 PolarHBondContact O-N 3.46Å; I435-L438 VanDerWaalsContact O-N 3.16Å; T436-L438 VanDerWaalsContact C-N 3.25Å; T436-L438 PolarHBondContact O-N 3.06Å; L438-W446 HydrophobicContact CD2-CB 4.26Å; L438-W446 HydrophobicContact CD2-CD2 4.39Å; L438-W446 HydrophobicContact CD2-CG 4.06Å; L438-W446 VanDerWaalsContact O-CE2 3.29Å; L438-W446 WeakPolarHBondContact O-CZ2 3.46Å; L438-W446 PolarHBondContact O-NE1 3.43Å; L438-M449 HydrophobicContact CD2-CB 4.37Å; L438-L450 HydrophobicContact CD2-CD2 4.29Å; L438-L450 HydrophobicContact CD2-CG 4.36Å; L438-I453 HydrophobicContact CD1-CD1 3.71Å; L438-I453 HydrophobicContact CG-CD1 4.25Å; L438-L478 HydrophobicContact CD1-CD1 4.02Å; L438-I482 HydrophobicContact CD1-CD1 4.45Å; L438-I482 HydrophobicContact CD1-CG1 3.9Å; L438-L485 HydrophobicContact CB-CD1 4.15Å; L438-L485 HydrophobicContact CD1-CD1 4.39Å |
| 439 | Q | 80.4 | Confident | 83.1 | Confident | 121 Ų | 121 | 41.1 Ų | 41.1 | 57% | 0.565 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -83.4 | -23.3 | 177.4 | -71.9 | 174.1 | -11.6 | 0 | 0 | 113.3 | I435 T436 | I435-Q439 HydrophobicContact CG2-CG 4.44Å; I435-Q439 WeakPolarHBondContact O-CG 3.15Å; I435-Q439 PolarHBondContact O-N 2.93Å; T436-Q439 PolarHBondContact O-N 3.24Å |
| 440 | Y | 70.8 | Confident | 83.3 | Confident | 123 Ų | 123 | 38.7 Ų | 38.7 | 48% | 0.482 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -66.4 | 153.8 | 177.1 | -81.2 | -66.1 | 0 | 0 | 0 | 113.2 | I387 T436 H442 | I387-Y440 HydrophobicContact CG2-CD2 3.54Å; I387-Y440 HydrophobicContact CG2-CE2 3.64Å; I387-Y440 HydrophobicContact CG2-CG 4.31Å; T436-Y440 WeakPolarHBondContact O-CD2 3.25Å; T436-Y440 PolarHBondContact O-N 2.87Å; Y440-H442 PolarHBondContact O-N 3.38Å |
| 441 | T | 61.1 | Low | 83.3 | Confident | 119 Ų | 119 | 41.7 Ų | 41.7 | 73% | 0.73 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -71.3 | -8.4 | -175.4 | 54.5 | 0 | 0 | 0 | 0 | 114.9 | Y443 | T441-Y443 PolarHBondContact O-N 2.92Å; T441-Y443 VanDerWaalsContact O-N 3.11Å |
| 442 | H | 71 | Confident | 83.4 | Confident | 95 Ų | 95 | 41.7 Ų | 41.7 | 44% | 0.44 | 22% | 0.216 | S | C | . | . | trans | -86.5 | 74.8 | 178.5 | -65.9 | -59.5 | 0 | 0 | 0 | 112 | Y440 E444 I445 | Y440-H442 PolarHBondContact O-N 3.38Å; H442-E444 PolarHBondContact O-N 3.34Å; H442-E444 VanDerWaalsContact O-N 3.07Å; H442-I445 HydrophobicContact CB-CD1 3.41Å; H442-I445 VanDerWaalsContact CB-CD1 3.41Å; H442-I445 HydrophobicContact CB-CG1 3.87Å; H442-I445 WeakPolarHBondContact O-CB 3.17Å; H442-I445 WeakPolarHBondContact O-CG1 3.4Å; H442-I445 PolarHBondContact O-N 2.89Å | ||
| 443 | Y | 73.8 | Confident | 83.6 | Confident | 21 Ų | 21 | 39.3 Ų | 39.3 | 8% | 0.082 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -57.2 | -23 | -179.5 | 59.6 | -90.9 | 0 | 0 | 0 | 114.2 | T441 I445 W446 I500 F507 L512 L515 | T441-Y443 PolarHBondContact O-N 2.92Å; T441-Y443 VanDerWaalsContact O-N 3.11Å; Y443-I445 PolarHBondContact O-N 3.11Å; Y443-W446 WeakPolarHBondContact O-CB 3.28Å; Y443-W446 PolarHBondContact O-N 3.37Å; Y443-I500 HydrophobicContact CD1-CD1 3.7Å; Y443-I500 HydrophobicContact CD1-CG1 4.33Å; Y443-I500 HydrophobicContact CD1-CG2 4.16Å; Y443-I500 HydrophobicContact CD2-CD1 4.16Å; Y443-I500 HydrophobicContact CE1-CD1 4.29Å; Y443-I500 HydrophobicContact CE1-CG2 4.23Å; Y443-I500 HydrophobicContact CG-CD1 3.63Å; Y443-F507 WeakPolarHBondContact OH-CE1 3.49Å; Y443-F507 WeakPolarHBondContact OH-CZ 3.33Å; Y443-L512 HydrophobicContact CE2-CD1 4.19Å; Y443-L515 HydrophobicContact CD2-CD2 3.3Å; Y443-L515 HydrophobicContact CD2-CG 4.42Å; Y443-L515 HydrophobicContact CE2-CD2 3.38Å |
| 444 | E | 75.2 | Confident | 83.7 | Confident | 77 Ų | 77 | 37.6 Ų | 37.6 | 36% | 0.36 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -61.6 | -22.6 | 174.4 | -55.7 | -178.7 | 142.2 | 0 | 0 | 112.9 | R395 H442 | R395-E444 IonicContact CZ-OE2 3.89Å; R395-E444 VanDerWaalsContact NH1-CB 3.26Å; R395-E444 IonicContact NH1-OE2 3.78Å; R395-E444 PolarHBondContact NH1-OE2 3.48Å; R395-E444 IonicContact NH2-OE2 2.88Å; R395-E444 PolarHBondContact NH2-OE2 3.16Å; H442-E444 PolarHBondContact O-N 3.34Å; H442-E444 VanDerWaalsContact O-N 3.07Å |
| 445 | I | 81.7 | Confident | 83.8 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -84 | -22.3 | -178.7 | -50.5 | 173.9 | 0 | 0 | 0 | 111 | L386 I387 H442 Y443 N447 H448 M449 | L386-I445 HydrophobicContact CD1-CG2 4.29Å; L386-I445 HydrophobicContact CG-CG2 3.97Å; I387-I445 WeakPolarHBondContact O-CD1 3.4Å; H442-I445 HydrophobicContact CB-CD1 3.41Å; H442-I445 VanDerWaalsContact CB-CD1 3.41Å; H442-I445 HydrophobicContact CB-CG1 3.87Å; H442-I445 WeakPolarHBondContact O-CB 3.17Å; H442-I445 WeakPolarHBondContact O-CG1 3.4Å; H442-I445 PolarHBondContact O-N 2.89Å; Y443-I445 PolarHBondContact O-N 3.11Å; I445-N447 VanDerWaalsContact C-N 3.33Å; I445-N447 PolarHBondContact O-N 2.95Å; I445-H448 WeakPolarHBondContact O-CA 3.37Å; I445-H448 WeakPolarHBondContact O-CB 3.16Å; I445-H448 PolarHBondContact O-N 3.46Å; I445-M449 HydrophobicContact CG2-CE 3.93Å; I445-M449 HydrophobicContact CG2-CG 3.95Å; I445-M449 PolarHBondContact O-N 2.99Å |
| 446 | W | 87.6 | Confident | 83.9 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 5% | 0.049 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.8 | -40.3 | -171.7 | -69.3 | 10.2 | 0 | 0 | 0 | 113.1 | L438 Y443 H448 M449 L450 L485 L499 I519 | L438-W446 HydrophobicContact CD2-CB 4.26Å; L438-W446 HydrophobicContact CD2-CD2 4.39Å; L438-W446 HydrophobicContact CD2-CG 4.06Å; L438-W446 VanDerWaalsContact O-CE2 3.29Å; L438-W446 WeakPolarHBondContact O-CZ2 3.46Å; L438-W446 PolarHBondContact O-NE1 3.43Å; Y443-W446 WeakPolarHBondContact O-CB 3.28Å; Y443-W446 PolarHBondContact O-N 3.37Å; W446-H448 VanDerWaalsContact C-N 3.27Å; W446-H448 PolarHBondContact O-N 3.39Å; W446-M449 PolarHBondContact O-N 2.87Å; W446-L450 WeakPolarHBondContact O-CB 3.49Å; W446-L450 WeakPolarHBondContact O-CG 3.45Å; W446-L450 PolarHBondContact O-N 3.48Å; W446-L485 HydrophobicContact CH2-CD2 3.81Å; W446-L485 HydrophobicContact CZ3-CD2 4.2Å; W446-L499 HydrophobicContact CH2-CD2 3.73Å; W446-L499 HydrophobicContact CZ3-CD2 4.4Å; W446-I519 HydrophobicContact CB-CD1 4.31Å; W446-I519 HydrophobicContact CB-CG1 4.27Å; W446-I519 HydrophobicContact CE3-CD1 4.06Å; W446-I519 HydrophobicContact CE3-CG2 3.93Å; W446-I519 HydrophobicContact CZ3-CG2 4.48Å |
| 447 | N | 86.8 | Confident | 84 | Confident | 57 Ų | 57 | 38.8 Ų | 38.8 | 31% | 0.305 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.2 | -41.8 | 176.7 | -179.8 | 47.4 | 0 | 0 | 0 | 111.8 | I445 C451 | I445-N447 VanDerWaalsContact C-N 3.33Å; I445-N447 PolarHBondContact O-N 2.95Å; N447-C451 PolarHBondContact O-N 2.87Å |
| 448 | H | 87.9 | Confident | 84.3 | Confident | 26 Ų | 26 | 40 Ų | 40 | 12% | 0.12 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.8 | -43.4 | 176.7 | -63.3 | -62.6 | 0 | 0 | 0 | 111.9 | E396 T399 I445 W446 C451 L452 | E396-H448 IonicContact OE2-CE1 3.83Å; E396-H448 PolarHBondContact OE2-CE1 2.87Å; E396-H448 IonicContact OE2-ND1 2.61Å; E396-H448 PolarHBondContact OE2-ND1 2.81Å; T399-H448 HydrophobicContact CG2-CB 3.86Å; T399-H448 VanDerWaalsContact OG1-CB 3.26Å; T399-H448 WeakPolarHBondContact OG1-CB 3.37Å; T399-H448 PolarHBondContact OG1-ND1 3.43Å; I445-H448 WeakPolarHBondContact O-CA 3.37Å; I445-H448 WeakPolarHBondContact O-CB 3.16Å; I445-H448 PolarHBondContact O-N 3.46Å; W446-H448 VanDerWaalsContact C-N 3.27Å; W446-H448 PolarHBondContact O-N 3.39Å; H448-C451 WeakPolarHBondContact O-CB 3.33Å; H448-C451 PolarHBondContact O-N 2.97Å; H448-L452 WeakPolarHBondContact O-CG 3.22Å; H448-L452 PolarHBondContact O-N 3.49Å; H448-L452 VanDerWaalsContact O-N 3.17Å |
| 449 | M | 90.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.4 | -45.2 | 176.7 | -71 | -61 | -175.8 | 0 | 0 | 112.2 | M383 L386 I387 F434 L438 I445 W446 C451 L452 I453 | M383-M449 HydrophobicContact CE-CE 4.03Å; M383-M449 HydrophobicContact CE-SD 3.88Å; L386-M449 HydrophobicContact CB-CE 4.3Å; L386-M449 HydrophobicContact CD2-CE 3.57Å; L386-M449 HydrophobicContact CD2-SD 3.81Å; L386-M449 HydrophobicContact CG-CE 3.83Å; I387-M449 HydrophobicContact CD1-CE 4.08Å; I387-M449 HydrophobicContact CG1-CE 3.4Å; F434-M449 HydrophobicContact CD1-SD 3.94Å; F434-M449 HydrophobicContact CE1-SD 4.29Å; L438-M449 HydrophobicContact CD2-CB 4.37Å; I445-M449 HydrophobicContact CG2-CE 3.93Å; I445-M449 HydrophobicContact CG2-CG 3.95Å; I445-M449 PolarHBondContact O-N 2.99Å; W446-M449 PolarHBondContact O-N 2.87Å; M449-C451 VanDerWaalsContact C-N 3.28Å; M449-C451 PolarHBondContact O-N 2.93Å; M449-L452 CarbonylContact O-C 3.56Å; M449-L452 WeakPolarHBondContact O-CB 3.43Å; M449-L452 PolarHBondContact O-N 3.47Å; M449-I453 HydrophobicContact CB-CD1 4.42Å; M449-I453 WeakPolarHBondContact O-CB 3.43Å; M449-I453 WeakPolarHBondContact O-CD1 3.46Å; M449-I453 WeakPolarHBondContact O-CG1 3.19Å; M449-I453 PolarHBondContact O-N 3.48Å |
| 450 | L | 91.8 | Very high | 84.7 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.4 | -37.2 | 179.2 | -69.7 | 167.9 | 0 | 0 | 0 | 112 | L438 W446 I453 G454 I519 L523 V526 | L438-L450 HydrophobicContact CD2-CD2 4.29Å; L438-L450 HydrophobicContact CD2-CG 4.36Å; W446-L450 WeakPolarHBondContact O-CB 3.49Å; W446-L450 WeakPolarHBondContact O-CG 3.45Å; W446-L450 PolarHBondContact O-N 3.48Å; L450-I453 HydrophobicContact CD2-CD1 4.28Å; L450-I453 PolarHBondContact O-N 3.48Å; L450-G454 PolarHBondContact O-N 3.21Å; L450-I519 HydrophobicContact CD1-CG2 4.35Å; L450-L523 HydrophobicContact CD1-CD2 4.1Å; L450-L523 HydrophobicContact CD1-CG 3.94Å; L450-L523 HydrophobicContact CD2-CD2 3.61Å; L450-L523 HydrophobicContact CD2-CG 4.27Å; L450-V526 HydrophobicContact CB-CG2 4.38Å; L450-V526 HydrophobicContact CD2-CG2 4.2Å; L450-V526 WeakPolarHBondContact O-CG2 3.48Å |
| 451 | C | 90.4 | Very high | 85.4 | Confident | 66 Ų | 66 | 28.8 Ų | 28.8 | 45% | 0.446 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -61.5 | -45.5 | 172.7 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | N447 H448 M449 R455 | N447-C451 PolarHBondContact O-N 2.87Å; H448-C451 WeakPolarHBondContact O-CB 3.33Å; H448-C451 PolarHBondContact O-N 2.97Å; M449-C451 VanDerWaalsContact C-N 3.28Å; M449-C451 PolarHBondContact O-N 2.93Å; C451-R455 PolarHBondContact O-N 2.89Å; C451-R455 VanDerWaalsContact O-N 3.14Å |
| 452 | L | 92.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.2 | -41.8 | 177.8 | -66.8 | 174.9 | 0 | 0 | 0 | 112.2 | M383 L386 T399 L402 N403 F406 F434 H448 M449 R455 F456 | M383-L452 HydrophobicContact SD-CD1 4.46Å; L386-L452 HydrophobicContact CD2-CD1 3.79Å; T399-L452 HydrophobicContact CG2-CD1 4.31Å; T399-L452 HydrophobicContact CG2-CD2 4.23Å; T399-L452 HydrophobicContact CG2-CG 4.04Å; L402-L452 HydrophobicContact CB-CD1 4.07Å; L402-L452 HydrophobicContact CB-CD2 3.75Å; L402-L452 HydrophobicContact CD1-CD1 3.79Å; N403-L452 HydrophobicContact CB-CD2 3.96Å; F406-L452 HydrophobicContact CD2-CD2 4.11Å; F406-L452 HydrophobicContact CE2-CB 4.33Å; F406-L452 HydrophobicContact CE2-CD2 4.05Å; F434-L452 HydrophobicContact CE1-CB 3.63Å; F434-L452 HydrophobicContact CE1-CD1 4.35Å; F434-L452 HydrophobicContact CZ-CB 3.85Å; H448-L452 WeakPolarHBondContact O-CG 3.22Å; H448-L452 PolarHBondContact O-N 3.49Å; H448-L452 VanDerWaalsContact O-N 3.17Å; M449-L452 CarbonylContact O-C 3.56Å; M449-L452 WeakPolarHBondContact O-CB 3.43Å; M449-L452 PolarHBondContact O-N 3.47Å; L452-R455 PolarHBondContact O-N 3.44Å; L452-F456 VanDerWaalsContact O-CB 3.28Å; L452-F456 WeakPolarHBondContact O-CB 3.41Å; L452-F456 PolarHBondContact O-N 3.44Å |
| 453 | I | 93.1 | Very high | 87 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.1 | -53.8 | 175.8 | -68.7 | 160.5 | 0 | 0 | 0 | 109.5 | F434 L438 M449 L450 R455 F456 T457 L478 I482 V526 | F434-I453 HydrophobicContact CB-CD1 3.95Å; F434-I453 HydrophobicContact CB-CG1 3.71Å; F434-I453 HydrophobicContact CD1-CD1 4.45Å; F434-I453 HydrophobicContact CD1-CG1 3.75Å; F434-I453 HydrophobicContact CD2-CG1 3.74Å; F434-I453 HydrophobicContact CE1-CG1 4.28Å; F434-I453 HydrophobicContact CE2-CG1 4.25Å; F434-I453 HydrophobicContact CG-CD1 4.21Å; F434-I453 HydrophobicContact CG-CG1 3.47Å; F434-I453 VanDerWaalsContact CG-CG1 3.47Å; L438-I453 HydrophobicContact CD1-CD1 3.71Å; L438-I453 HydrophobicContact CG-CD1 4.25Å; M449-I453 HydrophobicContact CB-CD1 4.42Å; M449-I453 WeakPolarHBondContact O-CB 3.43Å; M449-I453 WeakPolarHBondContact O-CD1 3.46Å; M449-I453 WeakPolarHBondContact O-CG1 3.19Å; M449-I453 PolarHBondContact O-N 3.48Å; L450-I453 HydrophobicContact CD2-CD1 4.28Å; L450-I453 PolarHBondContact O-N 3.48Å; I453-R455 PolarHBondContact O-N 2.92Å; I453-F456 PolarHBondContact O-N 3.21Å; I453-F456 VanDerWaalsContact O-N 3.08Å; I453-T457 WeakPolarHBondContact O-CB 3.37Å; I453-T457 PolarHBondContact O-N 3.45Å; I453-T457 PolarHBondContact O-OG1 2.87Å; I453-L478 HydrophobicContact CD1-CD1 4.12Å; I453-L478 HydrophobicContact CG1-CD2 4.33Å; I453-L478 HydrophobicContact CG2-CD2 3.91Å; I453-I482 HydrophobicContact CD1-CD1 4.34Å; I453-I482 HydrophobicContact CG2-CD1 3.96Å; I453-V526 HydrophobicContact CB-CG2 4.47Å; I453-V526 HydrophobicContact CG2-CG1 3.74Å; I453-V526 HydrophobicContact CG2-CG2 4.27Å |
| 454 | G | 91.7 | Very high | 87.4 | Confident | 5 Ų | 5 | 26.5 Ų | 26.5 | 5% | 0.052 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.4 | -39.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L450 M458 | L450-G454 PolarHBondContact O-N 3.21Å; G454-M458 PolarHBondContact O-N 2.95Å |
| 455 | R | 92.5 | Very high | 87.2 | Confident | 75 Ų | 75 | 26.5 Ų | 26.5 | 28% | 0.283 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -65.6 | -46 | 175.1 | -177.2 | 63 | 132.2 | -179 | 3.9 | 112.5 | N403 T407 C451 L452 I453 M458 I459 | N403-R455 WeakPolarHBondContact OD1-CG 3.3Å; N403-R455 PolarHBondContact OD1-NE 2.96Å; T407-R455 VanDerWaalsContact CG2-NH2 3.3Å; T407-R455 PolarHBondContact OG1-NE 3.27Å; T407-R455 PolarHBondContact OG1-NH2 2.73Å; C451-R455 PolarHBondContact O-N 2.89Å; C451-R455 VanDerWaalsContact O-N 3.14Å; L452-R455 PolarHBondContact O-N 3.44Å; I453-R455 PolarHBondContact O-N 2.92Å; R455-M458 VanDerWaalsContact NH1-CE 3.28Å; R455-M458 PolarHBondContact O-N 3.42Å; R455-I459 HydrophobicContact CG-CD1 4.06Å; R455-I459 WeakPolarHBondContact O-CG1 3.46Å; R455-I459 PolarHBondContact O-N 3.43Å; R455-I459 VanDerWaalsContact O-N 3.11Å |
| 456 | F | 92.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.5 | -41.4 | -176.7 | -167.4 | -116.8 | 0 | 0 | 0 | 111.4 | F406 I427 V430 L431 F434 L452 I453 M458 I459 I460 | F406-F456 AromaticContact CD1-CD2 3.94Å; F406-F456 HydrophobicContact CD1-CD2 3.94Å; F406-F456 HydrophobicContact CD1-CE2 4.2Å; F406-F456 HydrophobicContact CE1-CD2 4.06Å; F406-F456 HydrophobicContact CE1-CE2 4.16Å; F406-F456 HydrophobicContact CG-CD2 4.23Å; F406-F456 HydrophobicContact CZ-CD2 4.41Å; I427-F456 HydrophobicContact CG2-CE1 4.39Å; I427-F456 HydrophobicContact CG2-CZ 4.44Å; V430-F456 HydrophobicContact CB-CE1 3.87Å; V430-F456 HydrophobicContact CB-CE2 4.49Å; V430-F456 HydrophobicContact CB-CZ 3.77Å; V430-F456 HydrophobicContact CG1-CD1 3.9Å; V430-F456 HydrophobicContact CG1-CD2 4.27Å; V430-F456 HydrophobicContact CG1-CE1 3.5Å; V430-F456 HydrophobicContact CG1-CE2 3.96Å; V430-F456 HydrophobicContact CG1-CG 4.26Å; V430-F456 HydrophobicContact CG1-CZ 3.57Å; V430-F456 HydrophobicContact CG2-CZ 4.31Å; L431-F456 HydrophobicContact CD2-CD1 3.87Å; L431-F456 HydrophobicContact CD2-CE1 3.87Å; L431-F456 HydrophobicContact CG-CE1 4.04Å; F434-F456 HydrophobicContact CD2-CD1 4.42Å; F434-F456 HydrophobicContact CE2-CB 3.87Å; F434-F456 AromaticContact CE2-CD1 3.68Å; F434-F456 HydrophobicContact CE2-CD1 3.68Å; F434-F456 HydrophobicContact CE2-CE1 4.43Å; F434-F456 AromaticContact CE2-CG 3.92Å; F434-F456 HydrophobicContact CE2-CG 3.92Å; F434-F456 HydrophobicContact CZ-CB 4.28Å; L452-F456 VanDerWaalsContact O-CB 3.28Å; L452-F456 WeakPolarHBondContact O-CB 3.41Å; L452-F456 PolarHBondContact O-N 3.44Å; I453-F456 PolarHBondContact O-N 3.21Å; I453-F456 VanDerWaalsContact O-N 3.08Å; F456-M458 VanDerWaalsContact C-N 3.33Å; F456-M458 PolarHBondContact O-N 2.9Å; F456-I459 PolarHBondContact O-N 2.79Å; F456-I459 VanDerWaalsContact O-N 3.11Å; F456-I460 HydrophobicContact CD1-CD1 3.27Å; F456-I460 HydrophobicContact CD1-CG1 4.21Å; F456-I460 HydrophobicContact CE1-CD1 3.14Å; F456-I460 HydrophobicContact CE1-CG1 4.04Å; F456-I460 HydrophobicContact CE2-CD1 4.38Å; F456-I460 HydrophobicContact CE2-CG1 4.48Å; F456-I460 HydrophobicContact CG-CD1 4Å; F456-I460 HydrophobicContact CZ-CD1 3.73Å; F456-I460 HydrophobicContact CZ-CG1 4.15Å; F456-I460 WeakPolarHBondContact O-CG1 3.37Å; F456-I460 PolarHBondContact O-N 3.16Å |
| 457 | T | 86.8 | Confident | 85.3 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.4 | -47.3 | 171.7 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | I453 I459 I460 S461 I534 | I453-T457 WeakPolarHBondContact O-CB 3.37Å; I453-T457 PolarHBondContact O-N 3.45Å; I453-T457 PolarHBondContact O-OG1 2.87Å; T457-I459 VanDerWaalsContact C-N 3.31Å; T457-I459 PolarHBondContact O-N 3.42Å; T457-I460 PolarHBondContact O-N 3.38Å; T457-S461 WeakPolarHBondContact O-CB 3.23Å; T457-S461 PolarHBondContact O-N 3.07Å; T457-S461 PolarHBondContact O-OG 2.96Å; T457-I534 HydrophobicContact CG2-CD1 3.81Å; T457-I534 HydrophobicContact CG2-CG1 4.11Å |
| 458 | M | 88.2 | Confident | 84.2 | Confident | 29 Ų | 29 | 34 Ų | 34 | 14% | 0.143 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.4 | -38.2 | 177.2 | -179.9 | -178.5 | 57.4 | 0 | 0 | 112.8 | G454 R455 F456 K462 Y533 | G454-M458 PolarHBondContact O-N 2.95Å; R455-M458 VanDerWaalsContact NH1-CE 3.28Å; R455-M458 PolarHBondContact O-N 3.42Å; F456-M458 VanDerWaalsContact C-N 3.33Å; F456-M458 PolarHBondContact O-N 2.9Å; M458-K462 HydrophobicContact CG-CD 4.46Å; M458-K462 WeakPolarHBondContact O-CG 3.4Å; M458-K462 PolarHBondContact O-N 3.19Å; M458-Y533 HydrophobicContact CB-CD2 4.42Å; M458-Y533 HydrophobicContact CB-CE2 4.46Å; M458-Y533 HydrophobicContact CG-CD1 3.99Å; M458-Y533 HydrophobicContact CG-CD2 4.29Å; M458-Y533 HydrophobicContact CG-CE1 3.7Å; M458-Y533 HydrophobicContact CG-CE2 4.01Å; M458-Y533 HydrophobicContact CG-CG 4.29Å; M458-Y533 HydrophobicContact SD-CE1 4.13Å; M458-Y533 HydrophobicContact SD-CE2 4.15Å |
| 459 | I | 87.3 | Confident | 83.1 | Confident | 6 Ų | 6 | 32.9 Ų | 32.9 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.3 | -51.5 | 177.6 | -73.5 | 161.5 | 0 | 0 | 0 | 110 | F406 H411 L414 R455 F456 T457 S461 K462 V463 | F406-I459 HydrophobicContact CB-CD1 3.7Å; F406-I459 VanDerWaalsContact O-CD1 3.28Å; F406-I459 WeakPolarHBondContact O-CD1 3.24Å; H411-I459 HydrophobicContact CB-CD1 4.44Å; H411-I459 HydrophobicContact CB-CG1 4.26Å; H411-I459 HydrophobicContact CB-CG2 3.99Å; L414-I459 HydrophobicContact CD1-CG2 3.95Å; R455-I459 HydrophobicContact CG-CD1 4.06Å; R455-I459 WeakPolarHBondContact O-CG1 3.46Å; R455-I459 PolarHBondContact O-N 3.43Å; R455-I459 VanDerWaalsContact O-N 3.11Å; F456-I459 PolarHBondContact O-N 2.79Å; F456-I459 VanDerWaalsContact O-N 3.11Å; T457-I459 VanDerWaalsContact C-N 3.31Å; T457-I459 PolarHBondContact O-N 3.42Å; I459-S461 PolarHBondContact O-N 3.01Å; I459-K462 PolarHBondContact O-N 3.36Å; I459-V463 WeakPolarHBondContact O-CG2 3.37Å; I459-V463 PolarHBondContact O-N 2.85Å |
| 460 | I | 86.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58 | -49.7 | -179.3 | -69.7 | 164.6 | 0 | 0 | 0 | 110.5 | I427 L431 F456 T457 K462 V463 F464 M469 L475 | I427-I460 HydrophobicContact CG2-CD1 4.05Å; L431-I460 HydrophobicContact CD2-CD1 4.34Å; F456-I460 HydrophobicContact CD1-CD1 3.27Å; F456-I460 HydrophobicContact CD1-CG1 4.21Å; F456-I460 HydrophobicContact CE1-CD1 3.14Å; F456-I460 HydrophobicContact CE1-CG1 4.04Å; F456-I460 HydrophobicContact CE2-CD1 4.38Å; F456-I460 HydrophobicContact CE2-CG1 4.48Å; F456-I460 HydrophobicContact CG-CD1 4Å; F456-I460 HydrophobicContact CZ-CD1 3.73Å; F456-I460 HydrophobicContact CZ-CG1 4.15Å; F456-I460 WeakPolarHBondContact O-CG1 3.37Å; F456-I460 PolarHBondContact O-N 3.16Å; T457-I460 PolarHBondContact O-N 3.38Å; I460-K462 PolarHBondContact O-N 3.31Å; I460-K462 VanDerWaalsContact O-N 3.14Å; I460-V463 PolarHBondContact O-N 3.45Å; I460-F464 HydrophobicContact CG2-CD2 4.17Å; I460-F464 HydrophobicContact CG2-CE2 4.49Å; I460-F464 PolarHBondContact O-N 2.9Å; I460-F464 VanDerWaalsContact O-N 3.13Å; I460-M469 HydrophobicContact CB-CE 4.5Å; I460-M469 HydrophobicContact CG2-CE 3.3Å; I460-M469 HydrophobicContact CG2-SD 3.52Å; I460-M469 VanDerWaalsContact CG2-SD 3.52Å; I460-M469 WeakPolarHBondContact O-CE 3.47Å; I460-L475 HydrophobicContact CG2-CD1 4.47Å |
| 461 | S | 85.2 | Confident | 80.6 | Confident | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.2 | -21.5 | -179.2 | -57.9 | 0 | 0 | 0 | 0 | 114.7 | T457 I459 I534 R577 | T457-S461 WeakPolarHBondContact O-CB 3.23Å; T457-S461 PolarHBondContact O-N 3.07Å; T457-S461 PolarHBondContact O-OG 2.96Å; I459-S461 PolarHBondContact O-N 3.01Å; S461-I534 WeakPolarHBondContact OG-CG1 3.48Å; S461-R577 PolarHBondContact O-NH2 3.48Å |
| 462 | K | 83.3 | Confident | 79.8 | Confident | 118 Ų | 118 | 39.7 Ų | 39.7 | 51% | 0.513 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -82.4 | -30 | 173.8 | -77.3 | 178.6 | 179.2 | -177.8 | 0 | 112.9 | M458 I459 I460 | M458-K462 HydrophobicContact CG-CD 4.46Å; M458-K462 WeakPolarHBondContact O-CG 3.4Å; M458-K462 PolarHBondContact O-N 3.19Å; I459-K462 PolarHBondContact O-N 3.36Å; I460-K462 PolarHBondContact O-N 3.31Å; I460-K462 VanDerWaalsContact O-N 3.14Å |
| 463 | V | 82.6 | Confident | 79.4 | Confident | 35 Ų | 35 | 45.7 Ų | 45.7 | 21% | 0.212 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -83.5 | -55.1 | -174.6 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | L414 V415 I459 I460 | L414-V463 HydrophobicContact CB-CG1 4.06Å; L414-V463 HydrophobicContact CB-CG2 3.96Å; L414-V463 HydrophobicContact CD1-CG2 4.46Å; V415-V463 HydrophobicContact CG2-CG2 3.85Å; I459-V463 WeakPolarHBondContact O-CG2 3.37Å; I459-V463 PolarHBondContact O-N 2.85Å; I460-V463 PolarHBondContact O-N 3.45Å |
| 464 | F | 81 | Confident | 79 | Confident | 35 Ų | 35 | 46.6 Ų | 46.6 | 15% | 0.154 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -99.7 | 148.9 | -173.3 | -39 | -106.9 | 0 | 0 | 0 | 113.1 | L414 A420 I427 I460 T468 M469 | L414-F464 HydrophobicContact CD2-CE2 4.45Å; L414-F464 HydrophobicContact CD2-CZ 4.16Å; A420-F464 HydrophobicContact CB-CE1 3.63Å; A420-F464 HydrophobicContact CB-CZ 3.64Å; I427-F464 HydrophobicContact CD1-CE1 4.48Å; I427-F464 HydrophobicContact CD1-CE2 3.4Å; I427-F464 VanDerWaalsContact CD1-CE2 3.4Å; I427-F464 HydrophobicContact CD1-CZ 3.32Å; I460-F464 HydrophobicContact CG2-CD2 4.17Å; I460-F464 HydrophobicContact CG2-CE2 4.49Å; I460-F464 PolarHBondContact O-N 2.9Å; I460-F464 VanDerWaalsContact O-N 3.13Å; F464-T468 VanDerWaalsContact CB-OG1 3.3Å; F464-T468 WeakPolarHBondContact CB-OG1 3.47Å; F464-M469 HydrophobicContact CB-CE 3.27Å; F464-M469 HydrophobicContact CD2-CE 3.55Å; F464-M469 HydrophobicContact CG-CE 3.78Å |
| 465 | P | 71.3 | Confident | 78.8 | Confident | 77 Ų | 77 | 46.5 Ų | 46.5 | 50% | 0.5 | 24% | 0.241 | S | C | . | . | trans | -65.1 | 160.8 | 172.7 | 26 | -33.3 | 0 | 0 | 0 | 112.4 | D467 T468 M469 | P465-D467 PolarHBondContact O-N 2.93Å; P465-T468 WeakPolarHBondContact CD-OG1 3.34Å; P465-T468 HydrophobicContact CG-CG2 4.29Å; P465-T468 WeakPolarHBondContact CG-OG1 3.41Å; P465-T468 PolarHBondContact O-N 3.02Å; P465-T468 PolarHBondContact O-OG1 3.2Å; P465-M469 PolarHBondContact O-N 3.33Å | ||
| 466 | F | 65 | Low | 78.4 | Confident | 42 Ų | 42 | 44.1 Ų | 44.1 | 18% | 0.184 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.1 | -45.2 | -175.5 | -74.6 | -49.5 | 0 | 0 | 0 | 113.1 | T468 M469 I534 L538 R577 | F466-T468 PolarHBondContact O-N 3.5Å; F466-T468 VanDerWaalsContact O-N 3.11Å; F466-M469 WeakPolarHBondContact O-CB 3.39Å; F466-M469 PolarHBondContact O-N 3.46Å; F466-I534 WeakPolarHBondContact CD1-O 3.26Å; F466-I534 WeakPolarHBondContact CE1-O 3.44Å; F466-L538 HydrophobicContact CB-CD1 3.8Å; F466-L538 HydrophobicContact CB-CD2 3.85Å; F466-L538 HydrophobicContact CB-CG 4.5Å; F466-L538 HydrophobicContact CD1-CD1 4.04Å; F466-L538 HydrophobicContact CD1-CD2 4Å; F466-L538 HydrophobicContact CG-CD1 3.93Å; F466-L538 HydrophobicContact CG-CD2 4.3Å; F466-L538 WeakPolarHBondContact O-CD2 3.49Å; F466-R577 VanDerWaalsContact CE1-NH1 3.34Å |
| 467 | D | 64 | Low | 78.2 | Confident | 139 Ų | 139 | 48.6 Ų | 48.6 | 74% | 0.743 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.9 | -29 | -177.1 | -57.4 | -36.4 | 0 | 0 | 0 | 112.9 | P465 N471 | P465-D467 PolarHBondContact O-N 2.93Å; D467-N471 PolarHBondContact O-ND2 3.1Å |
| 468 | T | 65.7 | Low | 78.3 | Confident | 50 Ų | 50 | 48.6 Ų | 48.6 | 31% | 0.307 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -85.4 | -20 | 177.5 | 50.8 | 0 | 0 | 0 | 0 | 114.1 | F464 P465 F466 N471 | F464-T468 VanDerWaalsContact CB-OG1 3.3Å; F464-T468 WeakPolarHBondContact CB-OG1 3.47Å; P465-T468 WeakPolarHBondContact CD-OG1 3.34Å; P465-T468 HydrophobicContact CG-CG2 4.29Å; P465-T468 WeakPolarHBondContact CG-OG1 3.41Å; P465-T468 PolarHBondContact O-N 3.02Å; P465-T468 PolarHBondContact O-OG1 3.2Å; F466-T468 PolarHBondContact O-N 3.5Å; F466-T468 VanDerWaalsContact O-N 3.11Å; T468-N471 WeakPolarHBondContact O-CB 3.35Å; T468-N471 PolarHBondContact O-N 3.23Å |
| 469 | M | 64.2 | Low | 78.3 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.3 | -45.5 | -176.5 | -73.3 | -80.4 | 118.6 | 0 | 0 | 112.7 | I460 F464 P465 F466 N471 F472 L538 | I460-M469 HydrophobicContact CB-CE 4.5Å; I460-M469 HydrophobicContact CG2-CE 3.3Å; I460-M469 HydrophobicContact CG2-SD 3.52Å; I460-M469 VanDerWaalsContact CG2-SD 3.52Å; I460-M469 WeakPolarHBondContact O-CE 3.47Å; F464-M469 HydrophobicContact CB-CE 3.27Å; F464-M469 HydrophobicContact CD2-CE 3.55Å; F464-M469 HydrophobicContact CG-CE 3.78Å; P465-M469 PolarHBondContact O-N 3.33Å; F466-M469 WeakPolarHBondContact O-CB 3.39Å; F466-M469 PolarHBondContact O-N 3.46Å; M469-N471 PolarHBondContact O-N 2.71Å; M469-F472 WeakPolarHBondContact O-CD2 3.35Å; M469-F472 PolarHBondContact O-N 3.37Å; M469-L538 HydrophobicContact CB-CD2 4.33Å |
| 470 | L | 61.8 | Low | 78.3 | Confident | 56 Ų | 56 | 52.5 Ų | 52.5 | 29% | 0.293 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -15 | -177.2 | -69.6 | 175 | 0 | 0 | 0 | 112.9 | F472 V476 L538 I544 | L470-F472 PolarHBondContact O-N 3.45Å; L470-V476 HydrophobicContact CD2-CG2 4.1Å; L470-L538 HydrophobicContact CD1-CB 3.95Å; L470-L538 HydrophobicContact CD1-CD2 3.79Å; L470-L538 HydrophobicContact CD1-CG 3.68Å; L470-L538 HydrophobicContact CD2-CD2 4.49Å; L470-L538 HydrophobicContact CG-CB 4.37Å; L470-L538 HydrophobicContact CG-CD2 3.73Å; L470-L538 HydrophobicContact CG-CG 4.17Å; L470-I544 HydrophobicContact CD2-CD1 3.61Å |
| 471 | N | 67.9 | Low | 78.4 | Confident | 118 Ų | 118 | 53.8 Ų | 53.8 | 63% | 0.631 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -19.4 | 173.2 | -62.5 | -18 | 0 | 0 | 0 | 111.6 | D467 T468 M469 N473 | D467-N471 PolarHBondContact O-ND2 3.1Å; T468-N471 WeakPolarHBondContact O-CB 3.35Å; T468-N471 PolarHBondContact O-N 3.23Å; M469-N471 PolarHBondContact O-N 2.71Å; N471-N473 PolarHBondContact O-N 2.94Å |
| 472 | F | 73.9 | Confident | 78.6 | Confident | 38 Ų | 38 | 53.6 Ų | 53.6 | 17% | 0.167 | 28% | 0.277 | C | S | . | . | trans | -78.4 | 87.7 | 171 | -61.2 | -66.4 | 0 | 0 | 0 | 110.6 | I427 P428 M469 L470 S474 L475 V476 | I427-F472 HydrophobicContact CB-CE1 4.33Å; I427-F472 HydrophobicContact CD1-CZ 4.16Å; I427-F472 HydrophobicContact CG2-CD1 4.25Å; I427-F472 HydrophobicContact CG2-CE1 4.17Å; I427-F472 HydrophobicContact CG2-CZ 4.43Å; P428-F472 HydrophobicContact CG-CD1 4.4Å; M469-F472 WeakPolarHBondContact O-CD2 3.35Å; M469-F472 PolarHBondContact O-N 3.37Å; L470-F472 PolarHBondContact O-N 3.45Å; F472-S474 PolarHBondContact O-N 3.24Å; F472-S474 VanDerWaalsContact O-N 3.12Å; F472-L475 HydrophobicContact CB-CB 3.95Å; F472-L475 WeakPolarHBondContact O-CB 3.44Å; F472-L475 PolarHBondContact O-N 2.82Å; F472-V476 PolarHBondContact O-N 2.91Å | ||
| 473 | N | 82.6 | Confident | 78.7 | Confident | 127 Ų | 127 | 48.2 Ų | 48.2 | 68% | 0.679 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -50.1 | -38.1 | 175.1 | -72.4 | -26.5 | 0 | 0 | 0 | 112.6 | N471 L475 V476 E477 | N471-N473 PolarHBondContact O-N 2.94Å; N473-L475 VanDerWaalsContact C-N 3.3Å; N473-L475 PolarHBondContact O-N 3.2Å; N473-V476 PolarHBondContact O-N 2.7Å; N473-E477 PolarHBondContact O-N 3.01Å |
| 474 | S | 85.5 | Confident | 78.8 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -31.1 | 176.7 | -45.8 | 0 | 0 | 0 | 0 | 113.5 | F472 L478 | F472-S474 PolarHBondContact O-N 3.24Å; F472-S474 VanDerWaalsContact O-N 3.12Å; S474-L478 VanDerWaalsContact O-CB 3.31Å; S474-L478 WeakPolarHBondContact O-CB 3.42Å; S474-L478 PolarHBondContact O-N 3.06Å |
| 475 | L | 86.9 | Confident | 79 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.2 | -41.6 | 176.8 | -177.4 | 141.7 | 0 | 0 | 0 | 110.4 | L431 I460 F472 N473 E477 L478 L479 I534 | L431-L475 HydrophobicContact CD1-CB 3.8Å; I460-L475 HydrophobicContact CG2-CD1 4.47Å; F472-L475 HydrophobicContact CB-CB 3.95Å; F472-L475 WeakPolarHBondContact O-CB 3.44Å; F472-L475 PolarHBondContact O-N 2.82Å; N473-L475 VanDerWaalsContact C-N 3.3Å; N473-L475 PolarHBondContact O-N 3.2Å; L475-E477 VanDerWaalsContact C-N 3.35Å; L475-L478 PolarHBondContact O-N 3.04Å; L475-L479 HydrophobicContact CD2-CD1 3.72Å; L475-L479 HydrophobicContact CD2-CG 4.42Å; L475-L479 WeakPolarHBondContact O-CG 3.33Å; L475-L479 PolarHBondContact O-N 3.4Å; L475-I534 HydrophobicContact CD2-CD1 4.1Å |
| 476 | V | 85.3 | Confident | 79.8 | Confident | 24 Ų | 24 | 47.9 Ų | 47.9 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | L470 F472 N473 L479 K480 I544 | L470-V476 HydrophobicContact CD2-CG2 4.1Å; F472-V476 PolarHBondContact O-N 2.91Å; N473-V476 PolarHBondContact O-N 2.7Å; V476-L479 PolarHBondContact O-N 3.41Å; V476-K480 HydrophobicContact CG1-CD 4.25Å; V476-K480 WeakPolarHBondContact O-CG 3.46Å; V476-K480 PolarHBondContact O-N 2.87Å; V476-I544 HydrophobicContact CG1-CD1 4.36Å; V476-I544 HydrophobicContact CG1-CG1 4.28Å; V476-I544 HydrophobicContact CG2-CD1 4.19Å |
| 477 | E | 86.6 | Confident | 80.8 | Confident | 95 Ų | 95 | 46.7 Ų | 46.7 | 44% | 0.444 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.3 | -47.3 | 175.6 | -171.5 | 178.3 | -178.9 | 0 | 0 | 111.8 | I435 N473 L475 L479 K480 V481 | I435-E477 HydrophobicContact CD1-CB 3.97Å; I435-E477 HydrophobicContact CD1-CG 3.9Å; N473-E477 PolarHBondContact O-N 3.01Å; L475-E477 VanDerWaalsContact C-N 3.35Å; E477-L479 PolarHBondContact O-N 3.17Å; E477-K480 WeakPolarHBondContact O-CB 3.28Å; E477-K480 PolarHBondContact O-N 3.22Å; E477-K480 VanDerWaalsContact O-N 3.15Å; E477-V481 WeakPolarHBondContact O-CG2 3.45Å; E477-V481 PolarHBondContact O-N 3.27Å |
| 478 | L | 89.7 | Confident | 81.6 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.3 | -46.4 | 176.7 | 178.5 | 62.9 | 0 | 0 | 0 | 112.1 | L431 F434 I435 L438 I453 S474 L475 K480 V481 I482 | L431-L478 HydrophobicContact CD2-CD2 3.77Å; F434-L478 HydrophobicContact CB-CD1 3.97Å; F434-L478 HydrophobicContact CB-CD2 4.19Å; F434-L478 HydrophobicContact CD2-CD2 4.35Å; I435-L478 HydrophobicContact CD1-CB 4.17Å; I435-L478 HydrophobicContact CG1-CB 3.87Å; I435-L478 HydrophobicContact CG1-CD1 3.84Å; I435-L478 HydrophobicContact CG1-CG 4.44Å; L438-L478 HydrophobicContact CD1-CD1 4.02Å; I453-L478 HydrophobicContact CD1-CD1 4.12Å; I453-L478 HydrophobicContact CG1-CD2 4.33Å; I453-L478 HydrophobicContact CG2-CD2 3.91Å; S474-L478 VanDerWaalsContact O-CB 3.31Å; S474-L478 WeakPolarHBondContact O-CB 3.42Å; S474-L478 PolarHBondContact O-N 3.06Å; L475-L478 PolarHBondContact O-N 3.04Å; L478-K480 VanDerWaalsContact C-N 3.33Å; L478-K480 PolarHBondContact O-N 3.47Å; L478-V481 PolarHBondContact O-N 2.81Å; L478-I482 HydrophobicContact CD1-CD1 4.07Å; L478-I482 HydrophobicContact CD1-CG1 4.39Å; L478-I482 HydrophobicContact CG-CD1 4.01Å; L478-I482 WeakPolarHBondContact O-CB 3.12Å; L478-I482 VanDerWaalsContact O-CG1 3.27Å; L478-I482 WeakPolarHBondContact O-CG1 3.38Å; L478-I482 PolarHBondContact O-N 3.16Å |
| 479 | L | 88.8 | Confident | 82.4 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.4 | -37.5 | 178 | -69.3 | 176.4 | 0 | 0 | 0 | 112.2 | L475 V476 E477 I482 L483 A530 I534 I544 F545 | L475-L479 HydrophobicContact CD2-CD1 3.72Å; L475-L479 HydrophobicContact CD2-CG 4.42Å; L475-L479 WeakPolarHBondContact O-CG 3.33Å; L475-L479 PolarHBondContact O-N 3.4Å; V476-L479 PolarHBondContact O-N 3.41Å; E477-L479 PolarHBondContact O-N 3.17Å; L479-I482 PolarHBondContact O-N 3.22Å; L479-L483 WeakPolarHBondContact O-CB 3.42Å; L479-L483 PolarHBondContact O-N 3.09Å; L479-A530 HydrophobicContact CD2-CB 3.91Å; L479-I534 HydrophobicContact CD1-CD1 3.92Å; L479-I544 HydrophobicContact CB-CG2 3.82Å; L479-I544 HydrophobicContact CD1-CG2 4.23Å; L479-F545 HydrophobicContact CB-CE1 4.15Å; L479-F545 HydrophobicContact CB-CZ 4.45Å; L479-F545 HydrophobicContact CD2-CZ 4.22Å |
| 480 | K | 87.7 | Confident | 83 | Confident | 115 Ų | 115 | 42.2 Ų | 42.2 | 50% | 0.5 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.5 | -42 | 174.4 | -74.9 | 176 | 179 | 179.5 | 0 | 112 | V476 E477 L478 L483 H484 | V476-K480 HydrophobicContact CG1-CD 4.25Å; V476-K480 WeakPolarHBondContact O-CG 3.46Å; V476-K480 PolarHBondContact O-N 2.87Å; E477-K480 WeakPolarHBondContact O-CB 3.28Å; E477-K480 PolarHBondContact O-N 3.22Å; E477-K480 VanDerWaalsContact O-N 3.15Å; L478-K480 VanDerWaalsContact C-N 3.33Å; L478-K480 PolarHBondContact O-N 3.47Å; K480-L483 PolarHBondContact O-N 3.27Å; K480-H484 WeakPolarHBondContact O-CB 3.47Å; K480-H484 PolarHBondContact O-N 2.53Å |
| 481 | V | 87.6 | Confident | 83.5 | Confident | 26 Ų | 26 | 46.5 Ų | 46.5 | 16% | 0.158 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.1 | -45.8 | 175.1 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | I435 E477 L478 L483 H484 L485 | I435-V481 HydrophobicContact CG2-CG2 4.47Å; E477-V481 WeakPolarHBondContact O-CG2 3.45Å; E477-V481 PolarHBondContact O-N 3.27Å; L478-V481 PolarHBondContact O-N 2.81Å; V481-L483 VanDerWaalsContact C-N 3.33Å; V481-L483 PolarHBondContact O-N 3.1Å; V481-H484 PolarHBondContact O-N 2.95Å; V481-L485 HydrophobicContact CG1-CD1 3.96Å; V481-L485 HydrophobicContact CG1-CG 4.31Å; V481-L485 WeakPolarHBondContact O-CB 3.47Å; V481-L485 VanDerWaalsContact O-CG 3.3Å; V481-L485 WeakPolarHBondContact O-CG 3.42Å; V481-L485 PolarHBondContact O-N 3.34Å |
| 482 | I | 88.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.9 | -43.3 | 177.5 | -72.4 | 173.7 | 0 | 0 | 0 | 111.4 | L438 I453 L478 L479 R486 L523 V526 | L438-I482 HydrophobicContact CD1-CD1 4.45Å; L438-I482 HydrophobicContact CD1-CG1 3.9Å; I453-I482 HydrophobicContact CD1-CD1 4.34Å; I453-I482 HydrophobicContact CG2-CD1 3.96Å; L478-I482 HydrophobicContact CD1-CD1 4.07Å; L478-I482 HydrophobicContact CD1-CG1 4.39Å; L478-I482 HydrophobicContact CG-CD1 4.01Å; L478-I482 WeakPolarHBondContact O-CB 3.12Å; L478-I482 VanDerWaalsContact O-CG1 3.27Å; L478-I482 WeakPolarHBondContact O-CG1 3.38Å; L478-I482 PolarHBondContact O-N 3.16Å; L479-I482 PolarHBondContact O-N 3.22Å; I482-R486 PolarHBondContact O-N 3.37Å; I482-L523 HydrophobicContact CB-CD2 4.38Å; I482-L523 HydrophobicContact CG1-CD2 4.47Å; I482-L523 HydrophobicContact CG2-CD2 3.78Å; I482-V526 HydrophobicContact CD1-CG1 3.71Å |
| 483 | L | 86.2 | Confident | 83.9 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.3 | -47.2 | 176.3 | -171.8 | 75.1 | 0 | 0 | 0 | 111.2 | L479 K480 V481 R486 D487 F545 R563 W565 | L479-L483 WeakPolarHBondContact O-CB 3.42Å; L479-L483 PolarHBondContact O-N 3.09Å; K480-L483 PolarHBondContact O-N 3.27Å; V481-L483 VanDerWaalsContact C-N 3.33Å; V481-L483 PolarHBondContact O-N 3.1Å; L483-R486 PolarHBondContact O-N 2.62Å; L483-D487 PolarHBondContact O-N 3.18Å; L483-F545 HydrophobicContact CB-CD1 4.18Å; L483-F545 HydrophobicContact CB-CE1 4.08Å; L483-F545 HydrophobicContact CD1-CD1 3.8Å; L483-F545 HydrophobicContact CD1-CE1 4.15Å; L483-F545 HydrophobicContact CD1-CG 4.34Å; L483-F545 HydrophobicContact CD2-CD1 3.87Å; L483-F545 HydrophobicContact CG-CD1 4.17Å; L483-R563 VanDerWaalsContact CD2-CZ 3.47Å; L483-W565 HydrophobicContact CD1-CH2 3.9Å; L483-W565 HydrophobicContact CD1-CZ2 3.72Å |
| 484 | H | 85.5 | Confident | 83.3 | Confident | 119 Ų | 119 | 37.9 Ų | 37.9 | 55% | 0.551 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -60.9 | -46.2 | 178.5 | 178.9 | 64.9 | 0 | 0 | 0 | 112.1 | K480 V481 R486 D487 C488 | K480-H484 WeakPolarHBondContact O-CB 3.47Å; K480-H484 PolarHBondContact O-N 2.53Å; V481-H484 PolarHBondContact O-N 2.95Å; H484-R486 PolarHBondContact O-N 3.35Å; H484-D487 PolarHBondContact O-N 3.28Å; H484-D487 VanDerWaalsContact O-N 3.15Å; H484-C488 PolarHBondContact O-N 2.99Å; H484-C488 PolarHBondContact O-SG 2.82Å |
| 485 | L | 85.3 | Confident | 82.7 | Confident | 16 Ų | 16 | 37.5 Ų | 37.5 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.4 | -39.5 | 175.7 | -74.4 | 174.4 | 0 | 0 | 0 | 111.5 | L438 W446 V481 C488 L489 L499 | L438-L485 HydrophobicContact CB-CD1 4.15Å; L438-L485 HydrophobicContact CD1-CD1 4.39Å; W446-L485 HydrophobicContact CH2-CD2 3.81Å; W446-L485 HydrophobicContact CZ3-CD2 4.2Å; V481-L485 HydrophobicContact CG1-CD1 3.96Å; V481-L485 HydrophobicContact CG1-CG 4.31Å; V481-L485 WeakPolarHBondContact O-CB 3.47Å; V481-L485 VanDerWaalsContact O-CG 3.3Å; V481-L485 WeakPolarHBondContact O-CG 3.42Å; V481-L485 PolarHBondContact O-N 3.34Å; L485-C488 PolarHBondContact O-N 3.37Å; L485-L489 WeakPolarHBondContact O-CG 3.27Å; L485-L489 PolarHBondContact O-N 3.09Å; L485-L499 HydrophobicContact CD2-CD2 3.76Å |
| 486 | R | 87.8 | Confident | 81.8 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.015 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -73.2 | -35.7 | 177 | -175.5 | 49.4 | -174.1 | -104.3 | -15.2 | 112.9 | I482 L483 H484 C488 L489 V490 I520 L523 D524 W565 R1297 | I482-R486 PolarHBondContact O-N 3.37Å; L483-R486 PolarHBondContact O-N 2.62Å; H484-R486 PolarHBondContact O-N 3.35Å; R486-C488 VanDerWaalsContact C-N 3.26Å; R486-C488 PolarHBondContact O-N 2.84Å; R486-L489 CarbonylContact O-C 3.55Å; R486-L489 WeakPolarHBondContact O-CA 3.41Å; R486-L489 PolarHBondContact O-N 2.76Å; R486-V490 PolarHBondContact O-N 3.5Å; R486-I520 VanDerWaalsContact NH1-C 3.35Å; R486-I520 PolarHBondContact NH1-O 3.4Å; R486-L523 HydrophobicContact CB-CB 4.39Å; R486-L523 HydrophobicContact CB-CD1 4.12Å; R486-D524 VanDerWaalsContact CZ-CG 3.48Å; R486-D524 IonicContact CZ-OD1 2.7Å; R486-D524 IonicContact CZ-OD2 3.89Å; R486-D524 VanDerWaalsContact CZ-OD2 3.3Å; R486-D524 IonicContact NE-OD1 2.89Å; R486-D524 IonicContact NH1-OD1 2.73Å; R486-D524 PolarHBondContact NH1-OD1 3.23Å; R486-D524 IonicContact NH1-OD2 3.87Å; R486-D524 PolarHBondContact NH1-OD2 3.05Å; R486-D524 VanDerWaalsContact NH2-CG 3.33Å; R486-D524 IonicContact NH2-OD1 2.9Å; R486-D524 PolarHBondContact NH2-OD1 3.19Å; R486-D524 IonicContact NH2-OD2 2.97Å; R486-D524 PolarHBondContact NH2-OD2 3.42Å; R486-W565 HydrophobicContact CB-CH2 3.79Å; R486-W565 HydrophobicContact CB-CZ2 3.64Å; R486-W565 HydrophobicContact CB-CZ3 4.46Å; R486-W565 HydrophobicContact CG-CD2 3.71Å; R486-W565 VanDerWaalsContact CG-CE2 3.42Å; R486-W565 HydrophobicContact CG-CE3 3.8Å; R486-W565 HydrophobicContact CG-CH2 3.39Å; R486-W565 HydrophobicContact CG-CZ2 3.28Å; R486-W565 HydrophobicContact CG-CZ3 3.63Å; R486-R1297 VanDerWaalsContact NH2-NH2 3.16Å |
| 487 | D | 84.8 | Confident | 80.9 | Confident | 18 Ų | 18 | 38.3 Ų | 38.3 | 10% | 0.096 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.4 | -32.5 | 173 | -73.1 | -15.1 | 0 | 0 | 0 | 111.8 | L483 H484 L489 V490 R563 W565 | L483-D487 PolarHBondContact O-N 3.18Å; H484-D487 PolarHBondContact O-N 3.28Å; H484-D487 VanDerWaalsContact O-N 3.15Å; D487-L489 VanDerWaalsContact C-N 3.31Å; D487-L489 PolarHBondContact O-N 3.06Å; D487-V490 WeakPolarHBondContact O-CG2 3.37Å; D487-R563 VanDerWaalsContact OD1-CG 3.25Å; D487-R563 WeakPolarHBondContact OD1-CG 3.33Å; D487-R563 IonicContact OD1-NE 2.86Å; D487-R563 IonicContact OD2-CZ 2.96Å; D487-R563 IonicContact OD2-NE 3.43Å; D487-R563 PolarHBondContact OD2-NE 2.59Å; D487-R563 IonicContact OD2-NH2 3.21Å; D487-R563 PolarHBondContact OD2-NH2 3.28Å; D487-R563 VanDerWaalsContact OD2-NH2 3.1Å; D487-W565 PolarHBondContact OD1-NE1 3.3Å |
| 488 | C | 81.8 | Confident | 80 | Confident | 42 Ų | 42 | 40 Ų | 40 | 28% | 0.284 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -74.2 | -19.6 | 171.8 | -60.9 | 0 | 0 | 0 | 0 | 113.7 | H484 L485 R486 S495 L499 | H484-C488 PolarHBondContact O-N 2.99Å; H484-C488 PolarHBondContact O-SG 2.82Å; L485-C488 PolarHBondContact O-N 3.37Å; R486-C488 VanDerWaalsContact C-N 3.26Å; R486-C488 PolarHBondContact O-N 2.84Å; C488-S495 PolarHBondContact O-OG 2.95Å; C488-L499 HydrophobicContact CB-CD1 3.26Å |
| 489 | L | 81.3 | Confident | 78.9 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 18 | -178.9 | -67.2 | 174.5 | 0 | 0 | 0 | 113.6 | L485 R486 D487 D491 G492 S495 L496 I519 I520 L523 | L485-L489 WeakPolarHBondContact O-CG 3.27Å; L485-L489 PolarHBondContact O-N 3.09Å; R486-L489 CarbonylContact O-C 3.55Å; R486-L489 WeakPolarHBondContact O-CA 3.41Å; R486-L489 PolarHBondContact O-N 2.76Å; D487-L489 VanDerWaalsContact C-N 3.31Å; D487-L489 PolarHBondContact O-N 3.06Å; L489-D491 PolarHBondContact O-N 2.88Å; L489-G492 PolarHBondContact O-N 3.17Å; L489-S495 WeakPolarHBondContact CA-OG 3.28Å; L489-L496 HydrophobicContact CD1-CD1 4.39Å; L489-L496 HydrophobicContact CD2-CB 3.77Å; L489-L496 HydrophobicContact CD2-CD1 4.08Å; L489-L496 HydrophobicContact CD2-CG 4.39Å; L489-I519 HydrophobicContact CD1-CG2 4.05Å; L489-I520 HydrophobicContact CB-CG1 4.31Å; L489-I520 HydrophobicContact CD1-CG1 4.38Å; L489-L523 HydrophobicContact CD1-CD1 3.9Å |
| 490 | V | 76.9 | Confident | 77.6 | Confident | 51 Ų | 51 | 44.3 Ų | 44.3 | 31% | 0.309 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -41.9 | -177 | 173 | 0 | 0 | 0 | 0 | 112.2 | R486 D487 G492 Q562 | R486-V490 PolarHBondContact O-N 3.5Å; D487-V490 WeakPolarHBondContact O-CG2 3.37Å; V490-G492 PolarHBondContact O-N 3.39Å; V490-G492 VanDerWaalsContact O-N 3.1Å; V490-Q562 WeakPolarHBondContact CG2-O 3.37Å |
| 491 | D | 72.4 | Confident | 76.2 | Confident | 147 Ų | 147 | 47.5 Ų | 47.5 | 79% | 0.786 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -2.2 | -179.7 | -59.6 | -36.6 | 0 | 0 | 0 | 113.2 | L489 | L489-D491 PolarHBondContact O-N 2.88Š|
| 492 | G | 76.4 | Confident | 74.6 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | trans | 104.2 | -170.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L489 V490 K494 S495 | L489-G492 PolarHBondContact O-N 3.17Å; V490-G492 PolarHBondContact O-N 3.39Å; V490-G492 VanDerWaalsContact O-N 3.1Å; G492-K494 PolarHBondContact O-N 3.48Å; G492-S495 PolarHBondContact O-N 3.47Å; G492-S495 VanDerWaalsContact O-N 3.15Å; G492-S495 PolarHBondContact O-OG 3.43Å | ||
| 493 | P | 74.2 | Confident | 72.9 | Confident | 21 Ų | 21 | 54.2 Ų | 54.2 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -14.9 | -170.7 | 28.2 | -36.3 | 0 | 0 | 0 | 113.5 | L496 E517 I520 | P493-L496 WeakPolarHBondContact O-CB 3.32Å; P493-L496 PolarHBondContact O-N 2.95Å; P493-E517 HydrophobicContact CG-CG 4.33Å; P493-I520 HydrophobicContact CB-CD1 4.48Å |
| 494 | K | 70.3 | Confident | 71.2 | Confident | 71 Ų | 71 | 58.1 Ų | 58.1 | 31% | 0.309 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -32.7 | 176.6 | -67.4 | -173.7 | 175.4 | -170.1 | 0 | 112.8 | G492 L496 I497 D1304 | G492-K494 PolarHBondContact O-N 3.48Å; K494-L496 PolarHBondContact O-N 2.65Å; K494-I497 WeakPolarHBondContact O-CB 3.43Å; K494-I497 WeakPolarHBondContact O-CG1 3.29Å; K494-I497 PolarHBondContact O-N 3.42Å; K494-D1304 IonicContact NZ-OD2 3.2Å; K494-D1304 PolarHBondContact NZ-OD2 2.86Å |
| 495 | S | 72.7 | Confident | 69.5 | Low | 10 Ų | 10 | 61 Ų | 61 | 7% | 0.07 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.4 | -12.8 | 178.8 | 66.9 | 0 | 0 | 0 | 0 | 112.6 | C488 L489 G492 I497 N498 L499 | C488-S495 PolarHBondContact O-OG 2.95Å; L489-S495 WeakPolarHBondContact CA-OG 3.28Å; G492-S495 PolarHBondContact O-N 3.47Å; G492-S495 VanDerWaalsContact O-N 3.15Å; G492-S495 PolarHBondContact O-OG 3.43Å; S495-I497 PolarHBondContact O-N 3.02Å; S495-N498 WeakPolarHBondContact O-CB 3.34Å; S495-N498 PolarHBondContact O-N 3.39Å; S495-N498 VanDerWaalsContact O-N 3.1Å; S495-L499 PolarHBondContact O-N 2.72Å |
| 496 | L | 68.9 | Low | 67.9 | Low | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.6 | -31.5 | 168.2 | -166.3 | 120.8 | 0 | 0 | 0 | 111.6 | L489 P493 K494 L499 I500 L512 I519 | L489-L496 HydrophobicContact CD1-CD1 4.39Å; L489-L496 HydrophobicContact CD2-CB 3.77Å; L489-L496 HydrophobicContact CD2-CD1 4.08Å; L489-L496 HydrophobicContact CD2-CG 4.39Å; P493-L496 WeakPolarHBondContact O-CB 3.32Å; P493-L496 PolarHBondContact O-N 2.95Å; K494-L496 PolarHBondContact O-N 2.65Å; L496-L499 PolarHBondContact O-N 3.18Å; L496-I500 HydrophobicContact CD2-CD1 3.2Å; L496-I500 HydrophobicContact CD2-CG1 4.47Å; L496-I500 HydrophobicContact CG-CD1 3.56Å; L496-I500 HydrophobicContact CG-CG1 4.43Å; L496-I500 WeakPolarHBondContact O-CB 3.17Å; L496-I500 WeakPolarHBondContact O-CD1 3.44Å; L496-I500 WeakPolarHBondContact O-CG1 3.33Å; L496-I500 PolarHBondContact O-N 3.02Å; L496-I500 VanDerWaalsContact O-N 3.12Å; L496-L512 HydrophobicContact CD2-CD1 4.27Å; L496-L512 HydrophobicContact CD2-CD2 3.92Å; L496-L512 HydrophobicContact CD2-CG 3.84Å; L496-I519 HydrophobicContact CD1-CD1 3.76Å |
| 497 | I | 65.4 | Low | 66 | Low | 45 Ų | 45 | 70.5 Ų | 70.5 | 23% | 0.231 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 175.1 | -60.7 | 169.2 | 0 | 0 | 0 | 110.4 | K494 S495 L499 I500 H501 L509 L512 | K494-I497 WeakPolarHBondContact O-CB 3.43Å; K494-I497 WeakPolarHBondContact O-CG1 3.29Å; K494-I497 PolarHBondContact O-N 3.42Å; S495-I497 PolarHBondContact O-N 3.02Å; I497-L499 VanDerWaalsContact C-N 3.27Å; I497-L499 PolarHBondContact O-N 3.33Å; I497-I500 PolarHBondContact O-N 3.2Å; I497-H501 PolarHBondContact O-N 2.88Å; I497-L509 HydrophobicContact CD1-CD1 4.4Å; I497-L512 HydrophobicContact CB-CD2 4.5Å; I497-L512 HydrophobicContact CD1-CD2 4.01Å; I497-L512 HydrophobicContact CG1-CD2 3.25Å |
| 498 | N | 67.2 | Low | 64.6 | Low | 129 Ų | 129 | 74 Ų | 74 | 69% | 0.69 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -64.3 | -34.9 | 179.3 | -63.5 | -10.5 | 0 | 0 | 0 | 111.6 | S495 I500 | S495-N498 WeakPolarHBondContact O-CB 3.34Å; S495-N498 PolarHBondContact O-N 3.39Å; S495-N498 VanDerWaalsContact O-N 3.1Å; N498-I500 VanDerWaalsContact C-N 3.32Å |
| 499 | L | 66.4 | Low | 63.2 | Low | 62 Ų | 62 | 76.2 Ų | 76.2 | 33% | 0.325 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -71.2 | -30.2 | 178 | -139.4 | 100.7 | 0 | 0 | 0 | 112.7 | W446 L485 C488 S495 L496 I497 | W446-L499 HydrophobicContact CH2-CD2 3.73Å; W446-L499 HydrophobicContact CZ3-CD2 4.4Å; L485-L499 HydrophobicContact CD2-CD2 3.76Å; C488-L499 HydrophobicContact CB-CD1 3.26Å; S495-L499 PolarHBondContact O-N 2.72Å; L496-L499 PolarHBondContact O-N 3.18Å; I497-L499 VanDerWaalsContact C-N 3.27Å; I497-L499 PolarHBondContact O-N 3.33Å |
| 500 | I | 63 | Low | 61.9 | Low | 35 Ų | 35 | 82.5 Ų | 82.5 | 18% | 0.179 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -91.2 | -9.6 | -168.9 | -72.5 | 171.6 | 0 | 0 | 0 | 112.8 | Y443 L496 I497 N498 V502 | Y443-I500 HydrophobicContact CD1-CD1 3.7Å; Y443-I500 HydrophobicContact CD1-CG1 4.33Å; Y443-I500 HydrophobicContact CD1-CG2 4.16Å; Y443-I500 HydrophobicContact CD2-CD1 4.16Å; Y443-I500 HydrophobicContact CE1-CD1 4.29Å; Y443-I500 HydrophobicContact CE1-CG2 4.23Å; Y443-I500 HydrophobicContact CG-CD1 3.63Å; L496-I500 HydrophobicContact CD2-CD1 3.2Å; L496-I500 HydrophobicContact CD2-CG1 4.47Å; L496-I500 HydrophobicContact CG-CD1 3.56Å; L496-I500 HydrophobicContact CG-CG1 4.43Å; L496-I500 WeakPolarHBondContact O-CB 3.17Å; L496-I500 WeakPolarHBondContact O-CD1 3.44Å; L496-I500 WeakPolarHBondContact O-CG1 3.33Å; L496-I500 PolarHBondContact O-N 3.02Å; L496-I500 VanDerWaalsContact O-N 3.12Å; I497-I500 PolarHBondContact O-N 3.2Å; N498-I500 VanDerWaalsContact C-N 3.32Å; I500-V502 HydrophobicContact CG2-CB 3.8Å; I500-V502 HydrophobicContact CG2-CG2 3.39Å; I500-V502 PolarHBondContact O-N 3.25Å |
| 501 | H | 57.6 | Low | 61.2 | Low | 183 Ų | 183 | 81.9 Ų | 81.9 | 85% | 0.847 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 33.7 | -179.6 | -84.4 | -70.1 | 0 | 0 | 0 | 113.2 | I497 | I497-H501 PolarHBondContact O-N 2.88Š|
| 502 | V | 54.9 | Low | 61 | Low | 55 Ų | 55 | 75.8 Ų | 75.8 | 33% | 0.333 | 41% | 0.41 | S | S | . | . | trans | -104.8 | 139.6 | 178.5 | 167.1 | 0 | 0 | 0 | 0 | 109.9 | I500 F507 | I500-V502 HydrophobicContact CG2-CB 3.8Å; I500-V502 HydrophobicContact CG2-CG2 3.39Å; I500-V502 PolarHBondContact O-N 3.25Å; V502-F507 HydrophobicContact CG1-CD2 3.89Å; V502-F507 HydrophobicContact CG1-CE2 4.14Å | ||
| 503 | D | 51.7 | Low | 60.8 | Low | 112 Ų | 112 | 76.1 Ų | 76.1 | 60% | 0.599 | 41% | 0.41 | S | S | * | . | trans | -55.8 | 122.7 | 173.9 | -65.9 | -39.1 | 0 | 0 | 0 | 110.5 | E505 N506 | D503-E505 PolarHBondContact O-N 3.26Å; D503-N506 PolarHBondContact O-N 3.47Å | ||
| 504 | P | 50.8 | Low | 61 | Low | 88 Ų | 88 | 79.5 Ų | 79.5 | 57% | 0.571 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -15.8 | -175.8 | 22.2 | -31.8 | 0 | 0 | 0 | 113.7 | ||
| 505 | E | 50.6 | Low | 61.4 | Low | 180 Ų | 180 | 77.5 Ų | 77.5 | 84% | 0.841 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -27.4 | -179.7 | -59.8 | -163.5 | 160.9 | 0 | 0 | 113.5 | D503 | D503-E505 PolarHBondContact O-N 3.26Š|
| 506 | N | 50.3 | Low | 61.8 | Low | 126 Ų | 126 | 77 Ų | 77 | 67% | 0.674 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -85.8 | -7.9 | -170.8 | -77.9 | -28 | 0 | 0 | 0 | 114.8 | D503 | D503-N506 PolarHBondContact O-N 3.47Š|
| 507 | F | 48 | Very low | 62.6 | Low | 92 Ų | 92 | 80.7 Ų | 80.7 | 40% | 0.404 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -124.9 | 126.5 | 178.6 | -84.5 | -86.6 | 0 | 0 | 0 | 111.8 | Y443 V502 L509 | Y443-F507 WeakPolarHBondContact OH-CE1 3.49Å; Y443-F507 WeakPolarHBondContact OH-CZ 3.33Å; V502-F507 HydrophobicContact CG1-CD2 3.89Å; V502-F507 HydrophobicContact CG1-CE2 4.14Å; F507-L509 PolarHBondContact O-N 2.84Å |
| 508 | S | 55.4 | Low | 63.5 | Low | 93 Ų | 93 | 84 Ų | 84 | 65% | 0.65 | 45% | 0.446 | S | S | * | . | trans | -58.6 | 108.7 | 168.5 | 44.8 | 0 | 0 | 0 | 0 | 109.5 | I510 G511 | S508-I510 PolarHBondContact O-N 2.93Å; S508-G511 PolarHBondContact O-N 2.92Å | ||
| 509 | L | 52.4 | Low | 64.4 | Low | 88 Ų | 88 | 77.9 Ų | 77.9 | 46% | 0.461 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -46.5 | -27 | -175.9 | -139.9 | 98.7 | 0 | 0 | 0 | 114 | I497 F507 N513 | I497-L509 HydrophobicContact CD1-CD1 4.4Å; F507-L509 PolarHBondContact O-N 2.84Å; L509-N513 PolarHBondContact O-N 2.92Å; L509-N513 PolarHBondContact O-ND2 3.39Å |
| 510 | I | 54.6 | Low | 65.4 | Low | 134 Ų | 134 | 75 Ų | 75 | 69% | 0.687 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.8 | -48.3 | 178.4 | -60 | 170.5 | 0 | 0 | 0 | 111.2 | S508 L512 N513 D514 | S508-I510 PolarHBondContact O-N 2.93Å; I510-L512 PolarHBondContact O-N 3.36Å; I510-N513 PolarHBondContact O-N 3.42Å; I510-D514 PolarHBondContact O-N 2.9Å |
| 511 | G | 62.4 | Low | 66.5 | Low | 39 Ų | 39 | 76.8 Ų | 76.8 | 40% | 0.402 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.2 | -34.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S508 D514 L515 | S508-G511 PolarHBondContact O-N 2.92Å; G511-D514 PolarHBondContact O-N 3.36Å; G511-L515 WeakPolarHBondContact O-CB 2.96Å; G511-L515 PolarHBondContact O-N 2.84Å; G511-L515 VanDerWaalsContact O-N 3.13Å |
| 512 | L | 67.8 | Low | 68 | Low | 18 Ų | 18 | 68.8 Ų | 68.8 | 9% | 0.094 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -69.3 | -35 | 178.9 | -146.2 | 91.8 | 0 | 0 | 0 | 112.1 | Y443 L496 I497 I510 L515 G516 | Y443-L512 HydrophobicContact CE2-CD1 4.19Å; L496-L512 HydrophobicContact CD2-CD1 4.27Å; L496-L512 HydrophobicContact CD2-CD2 3.92Å; L496-L512 HydrophobicContact CD2-CG 3.84Å; I497-L512 HydrophobicContact CB-CD2 4.5Å; I497-L512 HydrophobicContact CD1-CD2 4.01Å; I497-L512 HydrophobicContact CG1-CD2 3.25Å; I510-L512 PolarHBondContact O-N 3.36Å; L512-L515 PolarHBondContact O-N 3.48Å; L512-G516 PolarHBondContact O-N 3.39Å |
| 513 | N | 72.4 | Confident | 69.7 | Low | 18 Ų | 18 | 66.2 Ų | 66.2 | 10% | 0.096 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 176 | -74.8 | -48.2 | 0 | 0 | 0 | 111.6 | L509 I510 L515 G516 E517 | L509-N513 PolarHBondContact O-N 2.92Å; L509-N513 PolarHBondContact O-ND2 3.39Å; I510-N513 PolarHBondContact O-N 3.42Å; N513-L515 VanDerWaalsContact C-N 3.3Å; N513-L515 PolarHBondContact O-N 3.47Å; N513-G516 PolarHBondContact O-N 3.24Å; N513-E517 WeakPolarHBondContact O-CG 3.43Å; N513-E517 PolarHBondContact O-N 2.85Å |
| 514 | D | 79.1 | Confident | 71.7 | Confident | 91 Ų | 91 | 61.4 Ų | 61.4 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 179 | -71.5 | -11.3 | 0 | 0 | 0 | 111.6 | I510 G511 K518 | I510-D514 PolarHBondContact O-N 2.9Å; G511-D514 PolarHBondContact O-N 3.36Å; D514-K518 WeakPolarHBondContact O-CG 3.34Å; D514-K518 PolarHBondContact O-N 2.81Å; D514-K518 VanDerWaalsContact O-N 3.16Å |
| 515 | L | 78.4 | Confident | 73.7 | Confident | 29 Ų | 29 | 59.8 Ų | 59.8 | 15% | 0.152 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.1 | -43.9 | 176.3 | -177.3 | 56.6 | 0 | 0 | 0 | 111.8 | Y443 G511 L512 N513 E517 K518 I519 | Y443-L515 HydrophobicContact CD2-CD2 3.3Å; Y443-L515 HydrophobicContact CD2-CG 4.42Å; Y443-L515 HydrophobicContact CE2-CD2 3.38Å; G511-L515 WeakPolarHBondContact O-CB 2.96Å; G511-L515 PolarHBondContact O-N 2.84Å; G511-L515 VanDerWaalsContact O-N 3.13Å; L512-L515 PolarHBondContact O-N 3.48Å; N513-L515 VanDerWaalsContact C-N 3.3Å; N513-L515 PolarHBondContact O-N 3.47Å; L515-E517 VanDerWaalsContact C-N 3.33Å; L515-E517 PolarHBondContact O-N 3.23Å; L515-K518 PolarHBondContact O-N 3.29Å; L515-I519 HydrophobicContact CD1-CD1 4.1Å; L515-I519 HydrophobicContact CD1-CG1 4.32Å; L515-I519 HydrophobicContact CG-CD1 3.89Å; L515-I519 VanDerWaalsContact O-CG1 3.31Å; L515-I519 WeakPolarHBondContact O-CG1 3.27Å; L515-I519 PolarHBondContact O-N 2.84Å |
| 516 | G | 81.4 | Confident | 75.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | L512 N513 I519 I520 | L512-G516 PolarHBondContact O-N 3.39Å; N513-G516 PolarHBondContact O-N 3.24Å; G516-I519 PolarHBondContact O-N 2.99Å; G516-I520 VanDerWaalsContact O-CB 3.3Å; G516-I520 WeakPolarHBondContact O-CB 3.49Å; G516-I520 WeakPolarHBondContact O-CG1 3.18Å; G516-I520 PolarHBondContact O-N 2.91Å |
| 517 | E | 84.8 | Confident | 77.5 | Confident | 77 Ų | 77 | 45.3 Ų | 45.3 | 36% | 0.36 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 173.8 | -73.9 | -172.4 | 179.7 | 0 | 0 | 112 | P493 N513 L515 I519 I520 D521 H1299 | P493-E517 HydrophobicContact CG-CG 4.33Å; N513-E517 WeakPolarHBondContact O-CG 3.43Å; N513-E517 PolarHBondContact O-N 2.85Å; L515-E517 VanDerWaalsContact C-N 3.33Å; L515-E517 PolarHBondContact O-N 3.23Å; E517-I519 PolarHBondContact O-N 2.91Å; E517-I520 PolarHBondContact O-N 3.34Å; E517-D521 WeakPolarHBondContact O-CB 3.41Å; E517-D521 PolarHBondContact O-N 3.25Å; E517-H1299 IonicContact OE1-CE1 2.61Å |
| 518 | K | 84.2 | Confident | 79.5 | Confident | 116 Ų | 116 | 41.6 Ų | 41.6 | 50% | 0.504 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 176.1 | -72.5 | 171.2 | -175.2 | 172.2 | 0 | 112.6 | D514 L515 D521 G522 | D514-K518 WeakPolarHBondContact O-CG 3.34Å; D514-K518 PolarHBondContact O-N 2.81Å; D514-K518 VanDerWaalsContact O-N 3.16Å; L515-K518 PolarHBondContact O-N 3.29Å; K518-D521 PolarHBondContact O-N 2.91Å; K518-G522 PolarHBondContact O-N 3.37Å |
| 519 | I | 86.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.1 | -46.3 | 177.1 | -70.6 | 167.2 | 0 | 0 | 0 | 110 | W446 L450 L489 L496 L515 G516 E517 D521 G522 L523 | W446-I519 HydrophobicContact CB-CD1 4.31Å; W446-I519 HydrophobicContact CB-CG1 4.27Å; W446-I519 HydrophobicContact CE3-CD1 4.06Å; W446-I519 HydrophobicContact CE3-CG2 3.93Å; W446-I519 HydrophobicContact CZ3-CG2 4.48Å; L450-I519 HydrophobicContact CD1-CG2 4.35Å; L489-I519 HydrophobicContact CD1-CG2 4.05Å; L496-I519 HydrophobicContact CD1-CD1 3.76Å; L515-I519 HydrophobicContact CD1-CD1 4.1Å; L515-I519 HydrophobicContact CD1-CG1 4.32Å; L515-I519 HydrophobicContact CG-CD1 3.89Å; L515-I519 VanDerWaalsContact O-CG1 3.31Å; L515-I519 WeakPolarHBondContact O-CG1 3.27Å; L515-I519 PolarHBondContact O-N 2.84Å; G516-I519 PolarHBondContact O-N 2.99Å; E517-I519 PolarHBondContact O-N 2.91Å; I519-D521 PolarHBondContact O-N 3.42Å; I519-G522 PolarHBondContact O-N 2.89Å; I519-L523 HydrophobicContact CG2-CD1 3.84Å; I519-L523 HydrophobicContact CG2-CG 4.31Å; I519-L523 VanDerWaalsContact O-CG 3.28Å; I519-L523 WeakPolarHBondContact O-CG 3.13Å; I519-L523 PolarHBondContact O-N 2.98Å |
| 520 | I | 86.5 | Confident | 82.8 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.1 | -49.4 | 175.4 | -78 | 171.4 | 0 | 0 | 0 | 110.5 | R486 L489 P493 G516 E517 G522 L523 D524 | R486-I520 VanDerWaalsContact NH1-C 3.35Å; R486-I520 PolarHBondContact NH1-O 3.4Å; L489-I520 HydrophobicContact CB-CG1 4.31Å; L489-I520 HydrophobicContact CD1-CG1 4.38Å; P493-I520 HydrophobicContact CB-CD1 4.48Å; G516-I520 VanDerWaalsContact O-CB 3.3Å; G516-I520 WeakPolarHBondContact O-CB 3.49Å; G516-I520 WeakPolarHBondContact O-CG1 3.18Å; G516-I520 PolarHBondContact O-N 2.91Å; E517-I520 PolarHBondContact O-N 3.34Å; I520-G522 VanDerWaalsContact C-N 3.33Å; I520-G522 PolarHBondContact O-N 3.39Å; I520-L523 PolarHBondContact O-N 2.69Å; I520-D524 WeakPolarHBondContact O-CB 3.31Å; I520-D524 PolarHBondContact O-N 3.3Å |
| 521 | D | 88.1 | Confident | 84.3 | Confident | 72 Ų | 72 | 28.5 Ų | 28.5 | 39% | 0.385 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.3 | -38.3 | 177.9 | -75.9 | -15.1 | 0 | 0 | 0 | 112.1 | E517 K518 I519 S525 | E517-D521 WeakPolarHBondContact O-CB 3.41Å; E517-D521 PolarHBondContact O-N 3.25Å; K518-D521 PolarHBondContact O-N 2.91Å; I519-D521 PolarHBondContact O-N 3.42Å; D521-S525 VanDerWaalsContact O-CB 3.3Å; D521-S525 WeakPolarHBondContact O-CB 2.95Å; D521-S525 PolarHBondContact O-N 3.2Å |
| 522 | G | 89 | Confident | 85.5 | Confident | 14 Ų | 14 | 28.4 Ų | 28.4 | 14% | 0.144 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.6 | -47.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K518 I519 I520 S525 V526 | K518-G522 PolarHBondContact O-N 3.37Å; I519-G522 PolarHBondContact O-N 2.89Å; I520-G522 VanDerWaalsContact C-N 3.33Å; I520-G522 PolarHBondContact O-N 3.39Å; G522-S525 WeakPolarHBondContact O-CB 3.26Å; G522-S525 PolarHBondContact O-N 3.35Å; G522-V526 WeakPolarHBondContact O-CG2 3.26Å; G522-V526 PolarHBondContact O-N 3.46Å |
| 523 | L | 90.5 | Very high | 86.3 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.7 | -47.4 | 176.4 | -69 | 166.8 | 0 | 0 | 0 | 110.9 | L450 I482 R486 L489 I519 I520 S525 V526 C527 | L450-L523 HydrophobicContact CD1-CD2 4.1Å; L450-L523 HydrophobicContact CD1-CG 3.94Å; L450-L523 HydrophobicContact CD2-CD2 3.61Å; L450-L523 HydrophobicContact CD2-CG 4.27Å; I482-L523 HydrophobicContact CB-CD2 4.38Å; I482-L523 HydrophobicContact CG1-CD2 4.47Å; I482-L523 HydrophobicContact CG2-CD2 3.78Å; R486-L523 HydrophobicContact CB-CB 4.39Å; R486-L523 HydrophobicContact CB-CD1 4.12Å; L489-L523 HydrophobicContact CD1-CD1 3.9Å; I519-L523 HydrophobicContact CG2-CD1 3.84Å; I519-L523 HydrophobicContact CG2-CG 4.31Å; I519-L523 VanDerWaalsContact O-CG 3.28Å; I519-L523 WeakPolarHBondContact O-CG 3.13Å; I519-L523 PolarHBondContact O-N 2.98Å; I520-L523 PolarHBondContact O-N 2.69Å; L523-S525 VanDerWaalsContact C-N 3.28Å; L523-S525 PolarHBondContact O-N 3.32Å; L523-V526 PolarHBondContact O-N 3.37Å; L523-C527 PolarHBondContact O-N 3.43Å; L523-C527 PolarHBondContact O-SG 2.85Å; L523-C527 VanDerWaalsContact O-SG 3.41Å |
| 524 | D | 92.6 | Very high | 86.8 | Confident | 11 Ų | 11 | 29 Ų | 29 | 6% | 0.059 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.9 | -40.4 | 176.6 | -77.2 | -18.1 | 0 | 0 | 0 | 111.4 | R486 I520 L528 W565 L569 | R486-D524 VanDerWaalsContact CZ-CG 3.48Å; R486-D524 IonicContact CZ-OD1 2.7Å; R486-D524 IonicContact CZ-OD2 3.89Å; R486-D524 VanDerWaalsContact CZ-OD2 3.3Å; R486-D524 IonicContact NE-OD1 2.89Å; R486-D524 IonicContact NH1-OD1 2.73Å; R486-D524 PolarHBondContact NH1-OD1 3.23Å; R486-D524 IonicContact NH1-OD2 3.87Å; R486-D524 PolarHBondContact NH1-OD2 3.05Å; R486-D524 VanDerWaalsContact NH2-CG 3.33Å; R486-D524 IonicContact NH2-OD1 2.9Å; R486-D524 PolarHBondContact NH2-OD1 3.19Å; R486-D524 IonicContact NH2-OD2 2.97Å; R486-D524 PolarHBondContact NH2-OD2 3.42Å; I520-D524 WeakPolarHBondContact O-CB 3.31Å; I520-D524 PolarHBondContact O-N 3.3Å; D524-L528 WeakPolarHBondContact O-CB 3.49Å; D524-L528 VanDerWaalsContact O-CG 3.31Å; D524-L528 WeakPolarHBondContact O-CG 3.41Å; D524-L528 PolarHBondContact O-N 3.09Å; D524-W565 WeakPolarHBondContact OD1-CZ3 3.31Å; D524-L569 HydrophobicContact CB-CD1 4.09Å; D524-L569 HydrophobicContact CB-CD2 4.12Å; D524-L569 WeakPolarHBondContact OD1-CD1 3.45Å |
| 525 | S | 93.2 | Very high | 86.7 | Confident | 55 Ų | 55 | 25 Ų | 25 | 39% | 0.385 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -64.2 | -43.7 | 176.6 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | D521 G522 L523 L528 L529 | D521-S525 VanDerWaalsContact O-CB 3.3Å; D521-S525 WeakPolarHBondContact O-CB 2.95Å; D521-S525 PolarHBondContact O-N 3.2Å; G522-S525 WeakPolarHBondContact O-CB 3.26Å; G522-S525 PolarHBondContact O-N 3.35Å; L523-S525 VanDerWaalsContact C-N 3.28Å; L523-S525 PolarHBondContact O-N 3.32Å; S525-L528 PolarHBondContact O-N 2.88Å; S525-L529 WeakPolarHBondContact O-CB 3.26Å; S525-L529 WeakPolarHBondContact O-CG 3.27Å; S525-L529 PolarHBondContact O-N 2.97Å |
| 526 | V | 91.3 | Very high | 86.5 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.5 | -43.7 | 178.5 | 175.2 | 0 | 0 | 0 | 0 | 111 | L450 I453 I482 G522 L523 L528 L529 A530 | L450-V526 HydrophobicContact CB-CG2 4.38Å; L450-V526 HydrophobicContact CD2-CG2 4.2Å; L450-V526 WeakPolarHBondContact O-CG2 3.48Å; I453-V526 HydrophobicContact CB-CG2 4.47Å; I453-V526 HydrophobicContact CG2-CG1 3.74Å; I453-V526 HydrophobicContact CG2-CG2 4.27Å; I482-V526 HydrophobicContact CD1-CG1 3.71Å; G522-V526 WeakPolarHBondContact O-CG2 3.26Å; G522-V526 PolarHBondContact O-N 3.46Å; L523-V526 PolarHBondContact O-N 3.37Å; V526-L528 VanDerWaalsContact C-N 3.3Å; V526-L528 PolarHBondContact O-N 2.88Å; V526-L529 PolarHBondContact O-N 2.88Å; V526-A530 WeakPolarHBondContact O-CB 3.34Å; V526-A530 PolarHBondContact O-N 3.5Å |
| 527 | C | 90.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.2 | -41.6 | 175.3 | -71.6 | 0 | 0 | 0 | 0 | 111.9 | L523 A530 V531 F545 F566 L569 | L523-C527 PolarHBondContact O-N 3.43Å; L523-C527 PolarHBondContact O-SG 2.85Å; L523-C527 VanDerWaalsContact O-SG 3.41Å; C527-A530 PolarHBondContact O-N 3.02Å; C527-V531 WeakPolarHBondContact O-CG2 3.37Å; C527-V531 PolarHBondContact O-N 2.88Å; C527-F545 HydrophobicContact CB-CE2 4.45Å; C527-F545 HydrophobicContact CB-CZ 4.5Å; C527-F566 HydrophobicContact CB-CE2 4.4Å; C527-L569 HydrophobicContact CB-CD1 4.35Å |
| 528 | L | 89.2 | Confident | 85.6 | Confident | 13 Ų | 13 | 23.5 Ų | 23.5 | 7% | 0.068 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64 | -48.5 | 174.4 | -79.5 | 172.5 | 0 | 0 | 0 | 112.6 | D524 S525 V526 A530 V531 E532 L569 A573 | D524-L528 WeakPolarHBondContact O-CB 3.49Å; D524-L528 VanDerWaalsContact O-CG 3.31Å; D524-L528 WeakPolarHBondContact O-CG 3.41Å; D524-L528 PolarHBondContact O-N 3.09Å; S525-L528 PolarHBondContact O-N 2.88Å; V526-L528 VanDerWaalsContact C-N 3.3Å; V526-L528 PolarHBondContact O-N 2.88Å; L528-A530 PolarHBondContact O-N 3.26Å; L528-V531 PolarHBondContact O-N 2.85Å; L528-V531 VanDerWaalsContact O-N 3.1Å; L528-E532 WeakPolarHBondContact O-CB 3.29Å; L528-E532 WeakPolarHBondContact O-CG 3.31Å; L528-E532 PolarHBondContact O-N 3.48Å; L528-L569 HydrophobicContact CD1-CD2 3.86Å; L528-L569 HydrophobicContact CD2-CB 3.76Å; L528-L569 HydrophobicContact CD2-CD2 4.24Å; L528-L569 WeakPolarHBondContact CD2-O 3.34Å; L528-L569 HydrophobicContact CG-CB 4.17Å; L528-L569 HydrophobicContact CG-CD2 3.98Å; L528-L569 HydrophobicContact CG-CG 4.48Å; L528-A573 HydrophobicContact CD2-CB 4.26Å |
| 529 | L | 88.4 | Confident | 85.2 | Confident | 37 Ų | 37 | 18 Ų | 18 | 19% | 0.194 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.1 | -38.4 | 178 | -70.9 | 168.3 | 0 | 0 | 0 | 111.1 | S525 V526 E532 Y533 | S525-L529 WeakPolarHBondContact O-CB 3.26Å; S525-L529 WeakPolarHBondContact O-CG 3.27Å; S525-L529 PolarHBondContact O-N 2.97Å; V526-L529 PolarHBondContact O-N 2.88Å; L529-E532 PolarHBondContact O-N 3.2Å; L529-Y533 HydrophobicContact CB-CD2 4.37Å; L529-Y533 HydrophobicContact CD2-CD2 3.94Å; L529-Y533 HydrophobicContact CD2-CE2 3.55Å; L529-Y533 WeakPolarHBondContact O-CB 3.39Å; L529-Y533 WeakPolarHBondContact O-CD2 3.4Å; L529-Y533 PolarHBondContact O-N 3.46Å |
| 530 | A | 87.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | I | π-helix | trans | -58.8 | -51.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L479 V526 C527 L528 E532 I534 G535 I539 F545 | L479-A530 HydrophobicContact CD2-CB 3.91Å; V526-A530 WeakPolarHBondContact O-CB 3.34Å; V526-A530 PolarHBondContact O-N 3.5Å; C527-A530 PolarHBondContact O-N 3.02Å; L528-A530 PolarHBondContact O-N 3.26Å; A530-E532 VanDerWaalsContact C-N 3.34Å; A530-E532 PolarHBondContact O-N 2.93Å; A530-I534 HydrophobicContact CB-CD1 4.07Å; A530-I534 WeakPolarHBondContact O-CA 3.34Å; A530-I534 WeakPolarHBondContact O-CB 3.17Å; A530-I534 PolarHBondContact O-N 3.23Å; A530-G535 PolarHBondContact O-N 3.38Å; A530-I539 VanDerWaalsContact C-CD1 3.49Å; A530-I539 HydrophobicContact CB-CD1 4.08Å; A530-I539 WeakPolarHBondContact O-CD1 3.47Å; A530-F545 HydrophobicContact CB-CE2 4.38Å; A530-F545 HydrophobicContact CB-CZ 4.49Å |
| 531 | V | 86.5 | Confident | 83.7 | Confident | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.018 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -62.4 | -38.1 | 178.5 | 177.4 | 0 | 0 | 0 | 0 | 112.6 | C527 L528 G535 I539 F545 F566 L570 A573 M636 | C527-V531 WeakPolarHBondContact O-CG2 3.37Å; C527-V531 PolarHBondContact O-N 2.88Å; L528-V531 PolarHBondContact O-N 2.85Å; L528-V531 VanDerWaalsContact O-N 3.1Å; V531-G535 CarbonylContact O-C 3.25Å; V531-G535 WeakPolarHBondContact O-CA 3.38Å; V531-G535 PolarHBondContact O-N 3.11Å; V531-I539 HydrophobicContact CG2-CD1 4.17Å; V531-F545 HydrophobicContact CG2-CD2 4.39Å; V531-F545 HydrophobicContact CG2-CE2 4.3Å; V531-F566 HydrophobicContact CG2-CE2 4.19Å; V531-F566 HydrophobicContact CG2-CZ 3.87Å; V531-L570 HydrophobicContact CG1-CD1 4.26Å; V531-A573 HydrophobicContact CB-CB 4.3Å; V531-A573 HydrophobicContact CG1-CB 3.63Å; V531-M636 HydrophobicContact CG1-SD 3.85Å |
| 532 | E | 87.9 | Confident | 82.5 | Confident | 38 Ų | 38 | 19.6 Ų | 19.6 | 18% | 0.178 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -76.1 | -36.6 | -177.2 | -69.9 | -176.5 | 166.7 | 0 | 0 | 113.9 | L528 L529 A530 A573 V574 Q576 | L528-E532 WeakPolarHBondContact O-CB 3.29Å; L528-E532 WeakPolarHBondContact O-CG 3.31Å; L528-E532 PolarHBondContact O-N 3.48Å; L529-E532 PolarHBondContact O-N 3.2Å; A530-E532 VanDerWaalsContact C-N 3.34Å; A530-E532 PolarHBondContact O-N 2.93Å; E532-A573 HydrophobicContact CG-CB 4.18Å; E532-V574 WeakPolarHBondContact CG-O 3.41Å; E532-V574 PolarHBondContact OE1-N 3.13Å; E532-Q576 PolarHBondContact O-N 3.09Å |
| 533 | Y | 84.3 | Confident | 81.5 | Confident | 47 Ų | 47 | 22.9 Ų | 22.9 | 18% | 0.184 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -103.4 | -42 | -173.6 | -72.1 | -80.5 | 0 | 0 | 0 | 114.2 | M458 L529 G535 Q576 | M458-Y533 HydrophobicContact CB-CD2 4.42Å; M458-Y533 HydrophobicContact CB-CE2 4.46Å; M458-Y533 HydrophobicContact CG-CD1 3.99Å; M458-Y533 HydrophobicContact CG-CD2 4.29Å; M458-Y533 HydrophobicContact CG-CE1 3.7Å; M458-Y533 HydrophobicContact CG-CE2 4.01Å; M458-Y533 HydrophobicContact CG-CG 4.29Å; M458-Y533 HydrophobicContact SD-CE1 4.13Å; M458-Y533 HydrophobicContact SD-CE2 4.15Å; L529-Y533 HydrophobicContact CB-CD2 4.37Å; L529-Y533 HydrophobicContact CD2-CD2 3.94Å; L529-Y533 HydrophobicContact CD2-CE2 3.55Å; L529-Y533 WeakPolarHBondContact O-CB 3.39Å; L529-Y533 WeakPolarHBondContact O-CD2 3.4Å; L529-Y533 PolarHBondContact O-N 3.46Å; Y533-G535 VanDerWaalsContact C-N 3.31Å; Y533-Q576 HydrophobicContact CD1-CG 4.48Å; Y533-Q576 HydrophobicContact CE1-CG 4.15Å |
| 534 | I | 83 | Confident | 80.6 | Confident | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -78.2 | -23.9 | 172.3 | -55.3 | 167.7 | 0 | 0 | 0 | 110.1 | T457 S461 F466 L475 L479 A530 L538 I539 | T457-I534 HydrophobicContact CG2-CD1 3.81Å; T457-I534 HydrophobicContact CG2-CG1 4.11Å; S461-I534 WeakPolarHBondContact OG-CG1 3.48Å; F466-I534 WeakPolarHBondContact CD1-O 3.26Å; F466-I534 WeakPolarHBondContact CE1-O 3.44Å; L475-I534 HydrophobicContact CD2-CD1 4.1Å; L479-I534 HydrophobicContact CD1-CD1 3.92Å; A530-I534 HydrophobicContact CB-CD1 4.07Å; A530-I534 WeakPolarHBondContact O-CA 3.34Å; A530-I534 WeakPolarHBondContact O-CB 3.17Å; A530-I534 PolarHBondContact O-N 3.23Å; I534-L538 HydrophobicContact CG2-CB 4.23Å; I534-L538 HydrophobicContact CG2-CD2 4.35Å; I534-I539 HydrophobicContact CB-CD1 4.16Å; I534-I539 HydrophobicContact CB-CG1 4.45Å; I534-I539 HydrophobicContact CG2-CD1 4.39Å; I534-I539 HydrophobicContact CG2-CG1 4.13Å |
| 535 | G | 77.8 | Confident | 80.1 | Confident | 5 Ų | 5 | 22.8 Ų | 22.8 | 5% | 0.052 | 13% | 0.134 | C | C | . | . | trans | 85.4 | 147.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | A530 V531 Y533 E537 L538 I539 | A530-G535 PolarHBondContact O-N 3.38Å; V531-G535 CarbonylContact O-C 3.25Å; V531-G535 WeakPolarHBondContact O-CA 3.38Å; V531-G535 PolarHBondContact O-N 3.11Å; Y533-G535 VanDerWaalsContact C-N 3.31Å; G535-E537 PolarHBondContact O-N 3.23Å; G535-L538 PolarHBondContact O-N 3.24Å; G535-I539 WeakPolarHBondContact O-CG1 3.37Å | ||
| 536 | P | 74.5 | Confident | 79.5 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.4 | -17.7 | 177.9 | 29.4 | -35.8 | 0 | 0 | 0 | 112.8 | L538 L540 P541 I579 M636 | P536-L538 VanDerWaalsContact C-N 3.28Å; P536-L538 PolarHBondContact O-N 2.98Å; P536-L540 HydrophobicContact CB-CD1 4.01Å; P536-L540 WeakPolarHBondContact O-CB 3.39Å; P536-L540 PolarHBondContact O-N 3.13Å; P536-P541 WeakPolarHBondContact O-CD 3.33Å; P536-I579 HydrophobicContact CG-CD1 3.6Å; P536-I579 HydrophobicContact CG-CG1 4.12Å; P536-I579 HydrophobicContact CG-CG2 4.19Å; P536-M636 HydrophobicContact CB-CE 3.61Å; P536-M636 HydrophobicContact CB-SD 4.13Å; P536-M636 HydrophobicContact CG-CE 3.67Å; P536-M636 HydrophobicContact CG-SD 4.04Å |
| 537 | E | 74.6 | Confident | 79 | Confident | 53 Ų | 53 | 21.9 Ų | 21.9 | 25% | 0.248 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.5 | -27.6 | -178.1 | -44.1 | -160.6 | 137.5 | 0 | 0 | 113.2 | G535 P541 I579 S580 I583 | G535-E537 PolarHBondContact O-N 3.23Å; E537-P541 WeakPolarHBondContact O-CD 3.37Å; E537-P541 WeakPolarHBondContact O-CG 3.3Å; E537-I579 HydrophobicContact CG-CG2 4.08Å; E537-I579 WeakPolarHBondContact OE1-CA 3.47Å; E537-S580 PolarHBondContact OE1-N 2.97Å; E537-S580 VanDerWaalsContact OE1-N 3.1Å; E537-I583 HydrophobicContact CB-CD1 3.75Å; E537-I583 HydrophobicContact CG-CD1 3.45Å; E537-I583 VanDerWaalsContact CG-CD1 3.45Å |
| 538 | L | 72.1 | Confident | 78.6 | Confident | 21 Ų | 21 | 25.9 Ų | 25.9 | 11% | 0.11 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -99.7 | -39.6 | 179.1 | -87.4 | 67.1 | 0 | 0 | 0 | 111.4 | F466 M469 L470 I534 G535 P536 G542 | F466-L538 HydrophobicContact CB-CD1 3.8Å; F466-L538 HydrophobicContact CB-CD2 3.85Å; F466-L538 HydrophobicContact CB-CG 4.5Å; F466-L538 HydrophobicContact CD1-CD1 4.04Å; F466-L538 HydrophobicContact CD1-CD2 4Å; F466-L538 HydrophobicContact CG-CD1 3.93Å; F466-L538 HydrophobicContact CG-CD2 4.3Å; F466-L538 WeakPolarHBondContact O-CD2 3.49Å; M469-L538 HydrophobicContact CB-CD2 4.33Å; L470-L538 HydrophobicContact CD1-CB 3.95Å; L470-L538 HydrophobicContact CD1-CD2 3.79Å; L470-L538 HydrophobicContact CD1-CG 3.68Å; L470-L538 HydrophobicContact CD2-CD2 4.49Å; L470-L538 HydrophobicContact CG-CB 4.37Å; L470-L538 HydrophobicContact CG-CD2 3.73Å; L470-L538 HydrophobicContact CG-CG 4.17Å; I534-L538 HydrophobicContact CG2-CB 4.23Å; I534-L538 HydrophobicContact CG2-CD2 4.35Å; G535-L538 PolarHBondContact O-N 3.24Å; P536-L538 VanDerWaalsContact C-N 3.28Å; P536-L538 PolarHBondContact O-N 2.98Å; L538-G542 WeakPolarHBondContact O-CA 3.37Å; L538-G542 PolarHBondContact O-N 3.48Å; L538-G542 VanDerWaalsContact O-N 3.1Å |
| 539 | I | 76.4 | Confident | 78.3 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.5 | -43.1 | -172.3 | -64.9 | 175.3 | 0 | 0 | 0 | 112.1 | A530 V531 I534 G535 I544 F545 | A530-I539 VanDerWaalsContact C-CD1 3.49Å; A530-I539 HydrophobicContact CB-CD1 4.08Å; A530-I539 WeakPolarHBondContact O-CD1 3.47Å; V531-I539 HydrophobicContact CG2-CD1 4.17Å; I534-I539 HydrophobicContact CB-CD1 4.16Å; I534-I539 HydrophobicContact CB-CG1 4.45Å; I534-I539 HydrophobicContact CG2-CD1 4.39Å; I534-I539 HydrophobicContact CG2-CG1 4.13Å; G535-I539 WeakPolarHBondContact O-CG1 3.37Å; I539-I544 HydrophobicContact CG2-CB 4.44Å; I539-I544 PolarHBondContact O-N 3.4Å; I539-F545 HydrophobicContact CD1-CE2 4.41Å; I539-F545 HydrophobicContact CG2-CB 3.75Å; I539-F545 HydrophobicContact CG2-CD1 4.45Å; I539-F545 HydrophobicContact CG2-CD2 3.22Å; I539-F545 HydrophobicContact CG2-CE2 3.89Å; I539-F545 HydrophobicContact CG2-CG 3.56Å |
| 540 | L | 74.8 | Confident | 78 | Confident | 12 Ų | 12 | 26 Ų | 26 | 6% | 0.063 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -51.2 | -176.6 | -63.2 | 170.4 | 0 | 0 | 0 | 111.7 | P536 G542 N543 L547 I588 | P536-L540 HydrophobicContact CB-CD1 4.01Å; P536-L540 WeakPolarHBondContact O-CB 3.39Å; P536-L540 PolarHBondContact O-N 3.13Å; L540-G542 VanDerWaalsContact C-N 3.28Å; L540-G542 PolarHBondContact O-N 3.16Å; L540-N543 PolarHBondContact O-N 2.95Å; L540-L547 HydrophobicContact CD2-CD1 3.72Å; L540-L547 HydrophobicContact CD2-CG 4.04Å; L540-I588 HydrophobicContact CD1-CD1 4.04Å; L540-I588 HydrophobicContact CD1-CG1 4.39Å |
| 541 | P | 65.2 | Low | 77.7 | Confident | 53 Ų | 53 | 26.1 Ų | 26.1 | 34% | 0.344 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -29.4 | 178.4 | -22.6 | 38.3 | 0 | 0 | 0 | 112.9 | P536 E537 N543 | P536-P541 WeakPolarHBondContact O-CD 3.33Å; E537-P541 WeakPolarHBondContact O-CD 3.37Å; E537-P541 WeakPolarHBondContact O-CG 3.3Å; P541-N543 PolarHBondContact O-N 3.39Å |
| 542 | G | 63.5 | Low | 77.5 | Confident | 43 Ų | 43 | 30.4 Ų | 30.4 | 44% | 0.443 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 2.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | L538 L540 I544 | L538-G542 WeakPolarHBondContact O-CA 3.37Å; L538-G542 PolarHBondContact O-N 3.48Å; L538-G542 VanDerWaalsContact O-N 3.1Å; L540-G542 VanDerWaalsContact C-N 3.28Å; L540-G542 PolarHBondContact O-N 3.16Å; G542-I544 PolarHBondContact O-N 2.86Å; G542-I544 VanDerWaalsContact O-N 3.08Å |
| 543 | N | 66.9 | Low | 77.2 | Confident | 82 Ų | 82 | 29.4 Ų | 29.4 | 44% | 0.439 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 33.6 | -176.2 | -78.8 | -8.8 | 0 | 0 | 0 | 113.5 | L540 P541 S546 | L540-N543 PolarHBondContact O-N 2.95Å; P541-N543 PolarHBondContact O-N 3.39Å; N543-S546 PolarHBondContact O-OG 3.44Å; N543-S546 VanDerWaalsContact O-OG 3.07Å |
| 544 | I | 72.7 | Confident | 77 | Confident | 8 Ų | 8 | 27.1 Ų | 27.1 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -52.2 | 175.2 | -56.6 | 179.7 | 0 | 0 | 0 | 108.4 | L470 V476 L479 I539 G542 | L470-I544 HydrophobicContact CD2-CD1 3.61Å; V476-I544 HydrophobicContact CG1-CD1 4.36Å; V476-I544 HydrophobicContact CG1-CG1 4.28Å; V476-I544 HydrophobicContact CG2-CD1 4.19Å; L479-I544 HydrophobicContact CB-CG2 3.82Å; L479-I544 HydrophobicContact CD1-CG2 4.23Å; I539-I544 HydrophobicContact CG2-CB 4.44Å; I539-I544 PolarHBondContact O-N 3.4Å; G542-I544 PolarHBondContact O-N 2.86Å; G542-I544 VanDerWaalsContact O-N 3.08Å |
| 545 | F | 81.9 | Confident | 76.9 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 68.1 | 170.9 | -61.4 | -19.5 | 0 | 0 | 0 | 109.5 | L479 L483 C527 A530 V531 I539 L547 F566 | L479-F545 HydrophobicContact CB-CE1 4.15Å; L479-F545 HydrophobicContact CB-CZ 4.45Å; L479-F545 HydrophobicContact CD2-CZ 4.22Å; L483-F545 HydrophobicContact CB-CD1 4.18Å; L483-F545 HydrophobicContact CB-CE1 4.08Å; L483-F545 HydrophobicContact CD1-CD1 3.8Å; L483-F545 HydrophobicContact CD1-CE1 4.15Å; L483-F545 HydrophobicContact CD1-CG 4.34Å; L483-F545 HydrophobicContact CD2-CD1 3.87Å; L483-F545 HydrophobicContact CG-CD1 4.17Å; C527-F545 HydrophobicContact CB-CE2 4.45Å; C527-F545 HydrophobicContact CB-CZ 4.5Å; A530-F545 HydrophobicContact CB-CE2 4.38Å; A530-F545 HydrophobicContact CB-CZ 4.49Å; V531-F545 HydrophobicContact CG2-CD2 4.39Å; V531-F545 HydrophobicContact CG2-CE2 4.3Å; I539-F545 HydrophobicContact CD1-CE2 4.41Å; I539-F545 HydrophobicContact CG2-CB 3.75Å; I539-F545 HydrophobicContact CG2-CD1 4.45Å; I539-F545 HydrophobicContact CG2-CD2 3.22Å; I539-F545 HydrophobicContact CG2-CE2 3.89Å; I539-F545 HydrophobicContact CG2-CG 3.56Å; F545-L547 PolarHBondContact O-N 3.44Å; F545-L547 VanDerWaalsContact O-N 3.1Å; F545-F566 HydrophobicContact CB-CE1 4.16Å; F545-F566 HydrophobicContact CB-CZ 4.15Å; F545-F566 HydrophobicContact CD2-CE1 4.29Å; F545-F566 AromaticContact CD2-CE2 3.65Å; F545-F566 HydrophobicContact CD2-CE2 3.65Å; F545-F566 AromaticContact CD2-CZ 3.45Å; F545-F566 HydrophobicContact CD2-CZ 3.45Å; F545-F566 VanDerWaalsContact CD2-CZ 3.45Å; F545-F566 HydrophobicContact CE2-CE2 4.03Å; F545-F566 HydrophobicContact CE2-CZ 4.21Å; F545-F566 HydrophobicContact CG-CE2 4.41Å; F545-F566 HydrophobicContact CG-CZ 4.17Å |
| 546 | S | 80.6 | Confident | 77.1 | Confident | 24 Ų | 24 | 36.1 Ų | 36.1 | 17% | 0.168 | 20% | 0.2 | C | C | . | . | trans | -58.1 | 115.9 | 180 | -50.3 | 0 | 0 | 0 | 0 | 111.2 | N543 R563 | N543-S546 PolarHBondContact O-OG 3.44Å; N543-S546 VanDerWaalsContact O-OG 3.07Å; S546-R563 PolarHBondContact O-NH1 2.98Å | ||
| 547 | L | 80.2 | Confident | 77.1 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 7% | 0.073 | 22% | 0.215 | C | C | . | . | trans | -83.1 | -15.7 | 174.4 | -65.9 | 177.8 | 0 | 0 | 0 | 112.5 | L540 F545 I549 I550 F566 L567 L570 L591 | L540-L547 HydrophobicContact CD2-CD1 3.72Å; L540-L547 HydrophobicContact CD2-CG 4.04Å; F545-L547 PolarHBondContact O-N 3.44Å; F545-L547 VanDerWaalsContact O-N 3.1Å; L547-I549 PolarHBondContact O-N 3.28Å; L547-I550 HydrophobicContact CD2-CD1 4.03Å; L547-I550 WeakPolarHBondContact O-CB 3.21Å; L547-I550 PolarHBondContact O-N 3.02Å; L547-I550 VanDerWaalsContact O-N 3.1Å; L547-F566 HydrophobicContact CD2-CD1 3.62Å; L547-F566 HydrophobicContact CD2-CE1 3.97Å; L547-L567 HydrophobicContact CD2-CD2 4.18Å; L547-L570 HydrophobicContact CD1-CD2 4.28Å; L547-L591 HydrophobicContact CB-CD1 3.61Å; L547-L591 HydrophobicContact CD1-CD1 4.41Å | ||
| 548 | E | 82.7 | Confident | 77.1 | Confident | 84 Ų | 84 | 40.4 Ų | 40.4 | 39% | 0.393 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.4 | -37.3 | -177.3 | -67.7 | -178.5 | 157.2 | 0 | 0 | 112.5 | I550 V551 E552 L591 | E548-I550 PolarHBondContact O-N 3Å; E548-I550 VanDerWaalsContact O-N 3.14Å; E548-V551 PolarHBondContact O-N 2.88Å; E548-E552 PolarHBondContact O-N 2.95Å; E548-L591 HydrophobicContact CG-CD2 4.15Å |
| 549 | I | 83.2 | Confident | 77.1 | Confident | 51 Ų | 51 | 43.3 Ų | 43.3 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -54.6 | -35.3 | 177.7 | -70.2 | 156.4 | 0 | 0 | 0 | 112.1 | L547 V551 E552 E553 | L547-I549 PolarHBondContact O-N 3.28Å; I549-V551 VanDerWaalsContact C-N 3.29Å; I549-V551 PolarHBondContact O-N 3.5Å; I549-E552 PolarHBondContact O-N 3.48Å; I549-E553 HydrophobicContact CG2-CG 4.35Å; I549-E553 WeakPolarHBondContact O-CB 3.24Å; I549-E553 VanDerWaalsContact O-CG 3.3Å; I549-E553 WeakPolarHBondContact O-CG 3.3Å; I549-E553 PolarHBondContact O-N 3.2Å |
| 550 | I | 81.8 | Confident | 77 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 178.9 | -58.2 | 173.7 | 0 | 0 | 0 | 110.6 | L547 E548 L554 L561 R563 L567 V626 | L547-I550 HydrophobicContact CD2-CD1 4.03Å; L547-I550 WeakPolarHBondContact O-CB 3.21Å; L547-I550 PolarHBondContact O-N 3.02Å; L547-I550 VanDerWaalsContact O-N 3.1Å; E548-I550 PolarHBondContact O-N 3Å; E548-I550 VanDerWaalsContact O-N 3.14Å; I550-L554 WeakPolarHBondContact O-CG 3.28Å; I550-L554 PolarHBondContact O-N 2.8Å; I550-L561 HydrophobicContact CG2-CD1 3.82Å; I550-R563 HydrophobicContact CD1-CB 3.98Å; I550-R563 HydrophobicContact CG1-CB 3.56Å; I550-L567 HydrophobicContact CD1-CD1 4.22Å; I550-L567 HydrophobicContact CD1-CD2 3.88Å; I550-L567 HydrophobicContact CD1-CG 3.95Å; I550-V626 HydrophobicContact CG2-CG1 4Å; I550-V626 HydrophobicContact CG2-CG2 4.46Å |
| 551 | V | 81.2 | Confident | 77.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -80.1 | -37.7 | -177.9 | -178.4 | 0 | 0 | 0 | 0 | 110.7 | E548 I549 L554 E555 L591 R594 | E548-V551 PolarHBondContact O-N 2.88Å; I549-V551 VanDerWaalsContact C-N 3.29Å; I549-V551 PolarHBondContact O-N 3.5Å; V551-L554 WeakPolarHBondContact O-CB 3.44Å; V551-L554 PolarHBondContact O-N 3.37Å; V551-E555 HydrophobicContact CG1-CG 4.45Å; V551-E555 WeakPolarHBondContact O-CG 3.43Å; V551-E555 PolarHBondContact O-N 3.36Å; V551-L591 HydrophobicContact CG2-CB 4.01Å; V551-L591 HydrophobicContact CG2-CD2 3.98Å; V551-R594 HydrophobicContact CG1-CB 3.68Å |
| 552 | E | 82.8 | Confident | 77.9 | Confident | 93 Ų | 93 | 52.3 Ų | 52.3 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 173.4 | -69.3 | 175 | 177.6 | 0 | 0 | 111.6 | E548 I549 L554 E555 T556 | E548-E552 PolarHBondContact O-N 2.95Å; I549-E552 PolarHBondContact O-N 3.48Å; E552-L554 VanDerWaalsContact C-N 3.31Å; E552-L554 PolarHBondContact O-N 3.46Å; E552-E555 PolarHBondContact O-N 3Å; E552-T556 WeakPolarHBondContact O-CG2 3.31Å; E552-T556 PolarHBondContact O-N 3.17Å |
| 553 | E | 81.8 | Confident | 78.9 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 174.6 | -74.5 | -174.4 | 149.7 | 0 | 0 | 112 | I549 T556 G557 K558 L561 Q562 | I549-E553 HydrophobicContact CG2-CG 4.35Å; I549-E553 WeakPolarHBondContact O-CB 3.24Å; I549-E553 VanDerWaalsContact O-CG 3.3Å; I549-E553 WeakPolarHBondContact O-CG 3.3Å; I549-E553 PolarHBondContact O-N 3.2Å; E553-T556 PolarHBondContact O-N 3.23Å; E553-T556 PolarHBondContact O-OG1 2.65Å; E553-G557 PolarHBondContact O-N 2.92Å; E553-K558 PolarHBondContact O-N 2.77Å; E553-K558 VanDerWaalsContact O-N 3.09Å; E553-L561 HydrophobicContact CB-CD2 3.61Å; E553-L561 VanDerWaalsContact OE2-CA 3.32Å; E553-L561 WeakPolarHBondContact OE2-CA 3.43Å; E553-Q562 WeakPolarHBondContact OE1-CG 3.28Å; E553-Q562 PolarHBondContact OE2-N 2.85Å |
| 554 | L | 79.5 | Confident | 79.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 173.4 | -79.2 | 169.5 | 0 | 0 | 0 | 112.3 | I550 V551 E552 T556 G557 L561 A595 L619 V626 | I550-L554 WeakPolarHBondContact O-CG 3.28Å; I550-L554 PolarHBondContact O-N 2.8Å; V551-L554 WeakPolarHBondContact O-CB 3.44Å; V551-L554 PolarHBondContact O-N 3.37Å; E552-L554 VanDerWaalsContact C-N 3.31Å; E552-L554 PolarHBondContact O-N 3.46Å; L554-T556 VanDerWaalsContact C-N 3.31Å; L554-T556 PolarHBondContact O-N 3.2Å; L554-G557 PolarHBondContact O-N 3.29Å; L554-G557 VanDerWaalsContact O-N 3.08Å; L554-L561 HydrophobicContact CD1-CD1 4.03Å; L554-L561 HydrophobicContact CD2-CD1 3.82Å; L554-L561 HydrophobicContact CD2-CD2 3.97Å; L554-L561 HydrophobicContact CD2-CG 4.39Å; L554-L561 HydrophobicContact CG-CD1 3.72Å; L554-L561 HydrophobicContact CG-CD2 3.75Å; L554-L561 HydrophobicContact CG-CG 4.36Å; L554-A595 HydrophobicContact CD1-CB 4.41Å; L554-L619 HydrophobicContact CD2-CD1 3.83Å; L554-V626 HydrophobicContact CD1-CB 4.2Å; L554-V626 HydrophobicContact CD1-CG1 4.06Å; L554-V626 HydrophobicContact CD1-CG2 4.2Å |
| 555 | E | 81.7 | Confident | 80.4 | Confident | 95 Ų | 95 | 51.4 Ų | 51.4 | 44% | 0.444 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.3 | -33 | 177.8 | -74.3 | 169.7 | -177.7 | 0 | 0 | 111.6 | V551 E552 G557 R594 V598 | V551-E555 HydrophobicContact CG1-CG 4.45Å; V551-E555 WeakPolarHBondContact O-CG 3.43Å; V551-E555 PolarHBondContact O-N 3.36Å; E552-E555 PolarHBondContact O-N 3Å; E555-G557 PolarHBondContact O-N 3.47Å; E555-R594 IonicContact OE1-CZ 3.05Å; E555-R594 IonicContact OE1-NE 3.43Å; E555-R594 PolarHBondContact OE1-NE 2.8Å; E555-R594 IonicContact OE1-NH2 3.88Å; E555-R594 PolarHBondContact OE1-NH2 2.73Å; E555-R594 IonicContact OE2-NH2 2.81Å; E555-R594 PolarHBondContact OE2-NH2 3.37Å; E555-V598 HydrophobicContact CG-CG2 3.67Å |
| 556 | T | 80.5 | Confident | 80.7 | Confident | 100 Ų | 100 | 51.5 Ų | 51.5 | 61% | 0.613 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -8.1 | 171.9 | 64.9 | 0 | 0 | 0 | 0 | 114.1 | E552 E553 L554 | E552-T556 WeakPolarHBondContact O-CG2 3.31Å; E552-T556 PolarHBondContact O-N 3.17Å; E553-T556 PolarHBondContact O-N 3.23Å; E553-T556 PolarHBondContact O-OG1 2.65Å; L554-T556 VanDerWaalsContact C-N 3.31Å; L554-T556 PolarHBondContact O-N 3.2Å |
| 557 | G | 75.1 | Confident | 81 | Confident | 32 Ų | 32 | 50.5 Ų | 50.5 | 33% | 0.33 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 12.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E553 L554 E555 | E553-G557 PolarHBondContact O-N 2.92Å; L554-G557 PolarHBondContact O-N 3.29Å; L554-G557 VanDerWaalsContact O-N 3.08Å; E555-G557 PolarHBondContact O-N 3.47Å |
| 558 | K | 75.6 | Confident | 81.2 | Confident | 113 Ų | 113 | 52.7 Ų | 52.7 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | trans | -75.5 | 137.3 | 172.4 | -66.9 | -179.5 | -178.8 | 177.8 | 0 | 110.2 | E553 | E553-K558 PolarHBondContact O-N 2.77Å; E553-K558 VanDerWaalsContact O-N 3.09Å | ||
| 559 | I | 70.2 | Confident | 81.3 | Confident | 82 Ų | 82 | 49.1 Ų | 49.1 | 42% | 0.421 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -94.1 | -36.1 | 178.3 | -61.7 | 162.3 | 0 | 0 | 0 | 110.7 | L561 A618 | I559-L561 PolarHBondContact O-N 2.87Å; I559-A618 HydrophobicContact CD1-CB 3.67Å; I559-A618 HydrophobicContact CG1-CB 4.41Å |
| 560 | D | 75.1 | Confident | 81.4 | Confident | 144 Ų | 144 | 46.7 Ų | 46.7 | 77% | 0.77 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -87.1 | 98.2 | 178.9 | -60.5 | -35.2 | 0 | 0 | 0 | 109.1 | ||
| 561 | L | 80.4 | Confident | 81.5 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | trans | -92.2 | 119.5 | -174 | -53.7 | 173.7 | 0 | 0 | 0 | 110.1 | I550 E553 L554 I559 R563 S564 V626 | I550-L561 HydrophobicContact CG2-CD1 3.82Å; E553-L561 HydrophobicContact CB-CD2 3.61Å; E553-L561 VanDerWaalsContact OE2-CA 3.32Å; E553-L561 WeakPolarHBondContact OE2-CA 3.43Å; L554-L561 HydrophobicContact CD1-CD1 4.03Å; L554-L561 HydrophobicContact CD2-CD1 3.82Å; L554-L561 HydrophobicContact CD2-CD2 3.97Å; L554-L561 HydrophobicContact CD2-CG 4.39Å; L554-L561 HydrophobicContact CG-CD1 3.72Å; L554-L561 HydrophobicContact CG-CD2 3.75Å; L554-L561 HydrophobicContact CG-CG 4.36Å; I559-L561 PolarHBondContact O-N 2.87Å; L561-R563 VanDerWaalsContact C-N 3.31Å; L561-R563 PolarHBondContact O-N 2.64Å; L561-S564 WeakPolarHBondContact O-CB 3.37Å; L561-S564 PolarHBondContact O-N 3.29Å; L561-S564 PolarHBondContact O-OG 3.4Å; L561-V626 HydrophobicContact CD1-CG2 3.68Å | ||
| 562 | Q | 78.7 | Confident | 81.8 | Confident | 102 Ų | 102 | 52.3 Ų | 52.3 | 48% | 0.477 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -40.2 | -172.5 | -67.1 | -173.5 | -9.2 | 0 | 0 | 111.6 | V490 E553 W565 | V490-Q562 WeakPolarHBondContact CG2-O 3.37Å; E553-Q562 WeakPolarHBondContact OE1-CG 3.28Å; E553-Q562 PolarHBondContact OE2-N 2.85Å; Q562-W565 PolarHBondContact O-NE1 2.93Å |
| 563 | R | 84.2 | Confident | 82 | Confident | 40 Ų | 40 | 47.9 Ų | 47.9 | 15% | 0.151 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 7.9 | -176.6 | -77.1 | 178 | -178.6 | -161.1 | 4 | 115.8 | L483 D487 S546 I550 L561 W565 F566 | L483-R563 VanDerWaalsContact CD2-CZ 3.47Å; D487-R563 VanDerWaalsContact OD1-CG 3.25Å; D487-R563 WeakPolarHBondContact OD1-CG 3.33Å; D487-R563 IonicContact OD1-NE 2.86Å; D487-R563 IonicContact OD2-CZ 2.96Å; D487-R563 IonicContact OD2-NE 3.43Å; D487-R563 PolarHBondContact OD2-NE 2.59Å; D487-R563 IonicContact OD2-NH2 3.21Å; D487-R563 PolarHBondContact OD2-NH2 3.28Å; D487-R563 VanDerWaalsContact OD2-NH2 3.1Å; S546-R563 PolarHBondContact O-NH1 2.98Å; I550-R563 HydrophobicContact CD1-CB 3.98Å; I550-R563 HydrophobicContact CG1-CB 3.56Å; L561-R563 VanDerWaalsContact C-N 3.31Å; L561-R563 PolarHBondContact O-N 2.64Å; R563-W565 PolarHBondContact O-N 3.43Å; R563-F566 PolarHBondContact O-N 3.19Å |
| 564 | S | 83.8 | Confident | 82.1 | Confident | 43 Ų | 43 | 49.8 Ų | 49.8 | 30% | 0.301 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -26 | -177.3 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | L561 F566 L567 P568 | L561-S564 WeakPolarHBondContact O-CB 3.37Å; L561-S564 PolarHBondContact O-N 3.29Å; L561-S564 PolarHBondContact O-OG 3.4Å; S564-F566 PolarHBondContact O-N 3.05Å; S564-L567 PolarHBondContact O-N 2.93Å; S564-P568 VanDerWaalsContact O-CD 3.25Å; S564-P568 WeakPolarHBondContact O-CD 3.26Å |
| 565 | W | 87.8 | Confident | 82.3 | Confident | 30 Ų | 30 | 50 Ų | 50 | 11% | 0.114 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -23.2 | 178.5 | 64.2 | -92.7 | 0 | 0 | 0 | 113.8 | L483 R486 D487 D524 Q562 R563 P568 L569 | L483-W565 HydrophobicContact CD1-CH2 3.9Å; L483-W565 HydrophobicContact CD1-CZ2 3.72Å; R486-W565 HydrophobicContact CB-CH2 3.79Å; R486-W565 HydrophobicContact CB-CZ2 3.64Å; R486-W565 HydrophobicContact CB-CZ3 4.46Å; R486-W565 HydrophobicContact CG-CD2 3.71Å; R486-W565 VanDerWaalsContact CG-CE2 3.42Å; R486-W565 HydrophobicContact CG-CE3 3.8Å; R486-W565 HydrophobicContact CG-CH2 3.39Å; R486-W565 HydrophobicContact CG-CZ2 3.28Å; R486-W565 HydrophobicContact CG-CZ3 3.63Å; D487-W565 PolarHBondContact OD1-NE1 3.3Å; D524-W565 WeakPolarHBondContact OD1-CZ3 3.31Å; Q562-W565 PolarHBondContact O-NE1 2.93Å; R563-W565 PolarHBondContact O-N 3.43Å; W565-P568 WeakPolarHBondContact O-CD 3.39Å; W565-L569 HydrophobicContact CE3-CD1 3.68Å; W565-L569 HydrophobicContact CZ3-CD1 3.48Å; W565-L569 VanDerWaalsContact CZ3-CD1 3.48Å |
| 566 | F | 88.5 | Confident | 82.1 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 2% | 0.022 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -78.6 | -26.4 | -178.7 | -176.1 | -108.2 | 0 | 0 | 0 | 112.5 | C527 V531 F545 L547 R563 S564 L569 L570 | C527-F566 HydrophobicContact CB-CE2 4.4Å; V531-F566 HydrophobicContact CG2-CE2 4.19Å; V531-F566 HydrophobicContact CG2-CZ 3.87Å; F545-F566 HydrophobicContact CB-CE1 4.16Å; F545-F566 HydrophobicContact CB-CZ 4.15Å; F545-F566 HydrophobicContact CD2-CE1 4.29Å; F545-F566 AromaticContact CD2-CE2 3.65Å; F545-F566 HydrophobicContact CD2-CE2 3.65Å; F545-F566 AromaticContact CD2-CZ 3.45Å; F545-F566 HydrophobicContact CD2-CZ 3.45Å; F545-F566 VanDerWaalsContact CD2-CZ 3.45Å; F545-F566 HydrophobicContact CE2-CE2 4.03Å; F545-F566 HydrophobicContact CE2-CZ 4.21Å; F545-F566 HydrophobicContact CG-CE2 4.41Å; F545-F566 HydrophobicContact CG-CZ 4.17Å; L547-F566 HydrophobicContact CD2-CD1 3.62Å; L547-F566 HydrophobicContact CD2-CE1 3.97Å; R563-F566 PolarHBondContact O-N 3.19Å; S564-F566 PolarHBondContact O-N 3.05Å; F566-L569 HydrophobicContact CD2-CB 4.42Å; F566-L569 HydrophobicContact CD2-CD1 4.24Å; F566-L569 WeakPolarHBondContact O-CB 3.35Å; F566-L569 PolarHBondContact O-N 3.48Å; F566-L570 PolarHBondContact O-N 3.49Å |
| 567 | L | 86.8 | Confident | 81.8 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.9 | -45.2 | -179.6 | -58.2 | 175.3 | 0 | 0 | 0 | 113.1 | L547 I550 S564 L569 L570 S571 V626 Q629 L630 | L547-L567 HydrophobicContact CD2-CD2 4.18Å; I550-L567 HydrophobicContact CD1-CD1 4.22Å; I550-L567 HydrophobicContact CD1-CD2 3.88Å; I550-L567 HydrophobicContact CD1-CG 3.95Å; S564-L567 PolarHBondContact O-N 2.93Å; L567-L569 VanDerWaalsContact C-N 3.3Å; L567-L569 PolarHBondContact O-N 2.92Å; L567-L570 PolarHBondContact O-N 3.49Å; L567-S571 PolarHBondContact O-N 3.11Å; L567-V626 HydrophobicContact CD1-CG1 4.03Å; L567-V626 HydrophobicContact CD1-CG2 4.38Å; L567-Q629 HydrophobicContact CB-CB 4.05Å; L567-Q629 HydrophobicContact CD1-CB 4.19Å; L567-L630 HydrophobicContact CD2-CD2 3.52Å; L567-L630 HydrophobicContact CD2-CG 4.15Å |
| 568 | P | 84.1 | Confident | 82 | Confident | 60 Ų | 60 | 52 Ų | 52 | 39% | 0.39 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.9 | -37.7 | 171 | -25.8 | 34.1 | 0 | 0 | 0 | 113.8 | S564 W565 S571 R572 | S564-P568 VanDerWaalsContact O-CD 3.25Å; S564-P568 WeakPolarHBondContact O-CD 3.26Å; W565-P568 WeakPolarHBondContact O-CD 3.39Å; P568-S571 PolarHBondContact O-N 2.9Å; P568-S571 PolarHBondContact O-OG 3.29Å; P568-R572 WeakPolarHBondContact O-CB 3.43Å; P568-R572 PolarHBondContact O-N 2.9Å; P568-R572 VanDerWaalsContact O-N 3.16Å |
| 569 | L | 84.7 | Confident | 82.3 | Confident | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65 | -45 | 177.5 | -60.9 | -178.5 | 0 | 0 | 0 | 110.7 | D524 C527 L528 W565 F566 L567 S571 R572 A573 | D524-L569 HydrophobicContact CB-CD1 4.09Å; D524-L569 HydrophobicContact CB-CD2 4.12Å; D524-L569 WeakPolarHBondContact OD1-CD1 3.45Å; C527-L569 HydrophobicContact CB-CD1 4.35Å; L528-L569 HydrophobicContact CD1-CD2 3.86Å; L528-L569 HydrophobicContact CD2-CB 3.76Å; L528-L569 HydrophobicContact CD2-CD2 4.24Å; L528-L569 WeakPolarHBondContact CD2-O 3.34Å; L528-L569 HydrophobicContact CG-CB 4.17Å; L528-L569 HydrophobicContact CG-CD2 3.98Å; L528-L569 HydrophobicContact CG-CG 4.48Å; W565-L569 HydrophobicContact CE3-CD1 3.68Å; W565-L569 HydrophobicContact CZ3-CD1 3.48Å; W565-L569 VanDerWaalsContact CZ3-CD1 3.48Å; F566-L569 HydrophobicContact CD2-CB 4.42Å; F566-L569 HydrophobicContact CD2-CD1 4.24Å; F566-L569 WeakPolarHBondContact O-CB 3.35Å; F566-L569 PolarHBondContact O-N 3.48Å; L567-L569 VanDerWaalsContact C-N 3.3Å; L567-L569 PolarHBondContact O-N 2.92Å; L569-S571 VanDerWaalsContact C-N 3.29Å; L569-S571 PolarHBondContact O-N 3.39Å; L569-R572 PolarHBondContact O-N 3.42Å; L569-A573 PolarHBondContact O-N 3.19Å |
| 570 | L | 85.2 | Confident | 83 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59 | -40.6 | 176.2 | -170.5 | 67.8 | 0 | 0 | 0 | 112 | V531 L547 F566 L567 R572 I588 M636 | V531-L570 HydrophobicContact CG1-CD1 4.26Å; L547-L570 HydrophobicContact CD1-CD2 4.28Å; F566-L570 PolarHBondContact O-N 3.49Å; L567-L570 PolarHBondContact O-N 3.49Å; L570-R572 PolarHBondContact O-N 2.95Å; L570-I588 HydrophobicContact CD2-CD1 4.27Å; L570-M636 HydrophobicContact CD1-CE 3.89Å; L570-M636 HydrophobicContact CD1-SD 3.75Å; L570-M636 HydrophobicContact CG-SD 4.48Å |
| 571 | S | 84.5 | Confident | 83.4 | Confident | 36 Ų | 36 | 37.4 Ų | 37.4 | 25% | 0.252 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -68.1 | -21.7 | 176.3 | 78.2 | 0 | 0 | 0 | 0 | 114.2 | L567 P568 L569 S632 | L567-S571 PolarHBondContact O-N 3.11Å; P568-S571 PolarHBondContact O-N 2.9Å; P568-S571 PolarHBondContact O-OG 3.29Å; L569-S571 VanDerWaalsContact C-N 3.29Å; L569-S571 PolarHBondContact O-N 3.39Å; S571-S632 WeakPolarHBondContact CB-OG 3.3Å |
| 572 | R | 86.7 | Confident | 83.4 | Confident | 86 Ų | 86 | 38.9 Ų | 38.9 | 33% | 0.325 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -94.1 | -24.3 | -178.1 | 177.8 | 165.7 | 66.6 | 133.8 | -15.5 | 112.9 | P568 L569 L570 V574 L1294 | P568-R572 WeakPolarHBondContact O-CB 3.43Å; P568-R572 PolarHBondContact O-N 2.9Å; P568-R572 VanDerWaalsContact O-N 3.16Å; L569-R572 PolarHBondContact O-N 3.42Å; L570-R572 PolarHBondContact O-N 2.95Å; R572-V574 PolarHBondContact O-N 3.42Å; R572-L1294 VanDerWaalsContact NH2-CD2 3.3Å |
| 573 | A | 86.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -56.9 | 134.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L528 V531 E532 L569 P575 M636 | L528-A573 HydrophobicContact CD2-CB 4.26Å; V531-A573 HydrophobicContact CB-CB 4.3Å; V531-A573 HydrophobicContact CG1-CB 3.63Å; E532-A573 HydrophobicContact CG-CB 4.18Å; L569-A573 PolarHBondContact O-N 3.19Å; A573-P575 WeakPolarHBondContact O-CD 3.41Å; A573-M636 HydrophobicContact CB-CG 4.37Å; A573-M636 HydrophobicContact CB-SD 4.11Å | ||
| 574 | V | 85.3 | Confident | 83.6 | Confident | 56 Ų | 56 | 33 Ų | 33 | 34% | 0.339 | 18% | 0.175 | S | C | . | . | trans | -115.1 | 92.1 | 172.4 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | E532 R572 | E532-V574 WeakPolarHBondContact CG-O 3.41Å; E532-V574 PolarHBondContact OE1-N 3.13Å; R572-V574 PolarHBondContact O-N 3.42Å | ||
| 575 | P | 83.7 | Confident | 83.7 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | trans | -63.8 | 138.6 | 179.2 | -22.7 | 36.4 | 0 | 0 | 0 | 110.8 | A573 R577 I579 M636 H640 | A573-P575 WeakPolarHBondContact O-CD 3.41Å; P575-R577 VanDerWaalsContact C-N 3.32Å; P575-I579 HydrophobicContact CB-CD1 3.45Å; P575-I579 VanDerWaalsContact CB-CD1 3.45Å; P575-I579 HydrophobicContact CB-CG1 4.35Å; P575-I579 HydrophobicContact CG-CD1 3.37Å; P575-M636 HydrophobicContact CG-CG 3.38Å; P575-M636 HydrophobicContact CG-SD 4.04Å; P575-H640 PolarHBondContact O-CD2 3.18Å; P575-H640 PolarHBondContact O-NE2 3.04Å | ||
| 576 | Q | 76.2 | Confident | 83.5 | Confident | 112 Ų | 112 | 42.2 Ų | 42.2 | 52% | 0.523 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -77.8 | -18.3 | -178.1 | -65.8 | -66.6 | -35.7 | 0 | 0 | 113.6 | E532 Y533 | E532-Q576 PolarHBondContact O-N 3.09Å; Y533-Q576 HydrophobicContact CD1-CG 4.48Å; Y533-Q576 HydrophobicContact CE1-CG 4.15Å |
| 577 | R | 75.3 | Confident | 83.2 | Confident | 109 Ų | 109 | 45 Ų | 45 | 41% | 0.411 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -113.2 | 157.8 | -176.9 | -61.9 | -178.2 | -175.9 | 160.2 | 3.3 | 110 | S461 F466 P575 | S461-R577 PolarHBondContact O-NH2 3.48Å; F466-R577 VanDerWaalsContact CE1-NH1 3.34Å; P575-R577 VanDerWaalsContact C-N 3.32Å |
| 578 | S | 79.2 | Confident | 83.3 | Confident | 50 Ų | 50 | 44.9 Ų | 44.9 | 35% | 0.35 | 22% | 0.219 | S | C | . | . | trans | -66.1 | 143.6 | 170.9 | 49.9 | 0 | 0 | 0 | 0 | 110.5 | S641 I643 | S578-S641 WeakPolarHBondContact CB-O 3.45Å; S578-I643 WeakPolarHBondContact O-CD1 3.28Å; S578-I643 WeakPolarHBondContact OG-CG1 3.29Å | ||
| 579 | I | 81 | Confident | 83.5 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | trans | -121.7 | 147.8 | -175.7 | -61.4 | 155.6 | 0 | 0 | 0 | 109.6 | P536 E537 P575 I583 F637 | P536-I579 HydrophobicContact CG-CD1 3.6Å; P536-I579 HydrophobicContact CG-CG1 4.12Å; P536-I579 HydrophobicContact CG-CG2 4.19Å; E537-I579 HydrophobicContact CG-CG2 4.08Å; E537-I579 WeakPolarHBondContact OE1-CA 3.47Å; P575-I579 HydrophobicContact CB-CD1 3.45Å; P575-I579 VanDerWaalsContact CB-CD1 3.45Å; P575-I579 HydrophobicContact CB-CG1 4.35Å; P575-I579 HydrophobicContact CG-CD1 3.37Å; I579-I583 HydrophobicContact CG2-CD1 3.97Å; I579-F637 HydrophobicContact CB-CD1 4.15Å; I579-F637 HydrophobicContact CG2-CD1 3.48Å; I579-F637 VanDerWaalsContact CG2-CD1 3.48Å; I579-F637 HydrophobicContact CG2-CE1 3.52Å | ||
| 580 | S | 85.5 | Confident | 83.6 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 15% | 0.147 | 22% | 0.218 | C | C | . | . | trans | -72.5 | 130.1 | 170.3 | -174.7 | 0 | 0 | 0 | 0 | 112.7 | E537 S582 I583 | E537-S580 PolarHBondContact OE1-N 2.97Å; E537-S580 VanDerWaalsContact OE1-N 3.1Å; S580-S582 PolarHBondContact O-N 2.87Å; S580-S582 PolarHBondContact OG-N 3.37Å; S580-S582 PolarHBondContact OG-OG 3.25Å; S580-I583 PolarHBondContact O-N 2.97Å | ||
| 581 | L | 82.4 | Confident | 83.6 | Confident | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.6 | -20.9 | 173.6 | -69.6 | 171.9 | 0 | 0 | 0 | 112.9 | I583 F584 H585 F637 P642 E647 L648 | L581-I583 PolarHBondContact O-N 3.46Å; L581-F584 PolarHBondContact O-N 3.23Å; L581-F584 VanDerWaalsContact O-N 3.15Å; L581-H585 PolarHBondContact O-N 2.9Å; L581-F637 HydrophobicContact CD2-CB 3.81Å; L581-P642 HydrophobicContact CD1-CB 3.75Å; L581-P642 HydrophobicContact CD1-CG 3.99Å; L581-P642 HydrophobicContact CG-CB 3.78Å; L581-E647 HydrophobicContact CB-CB 4.29Å; L581-L648 HydrophobicContact CD1-CD1 3.77Å; L581-L648 HydrophobicContact CD1-CD2 4.2Å; L581-L648 HydrophobicContact CD1-CG 3.78Å |
| 582 | S | 80.2 | Confident | 83.8 | Confident | 40 Ų | 40 | 43.5 Ų | 43.5 | 28% | 0.28 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.9 | -29.1 | 177.6 | 65.6 | 0 | 0 | 0 | 0 | 112.3 | S580 H585 R586 E647 | S580-S582 PolarHBondContact O-N 2.87Å; S580-S582 PolarHBondContact OG-N 3.37Å; S580-S582 PolarHBondContact OG-OG 3.25Å; S582-H585 PolarHBondContact O-N 3.42Å; S582-R586 VanDerWaalsContact O-CB 3.22Å; S582-R586 WeakPolarHBondContact O-CB 3.45Å; S582-R586 PolarHBondContact O-N 3.44Å; S582-E647 WeakPolarHBondContact CB-OE1 3.44Å |
| 583 | I | 82 | Confident | 83.8 | Confident | 17 Ų | 17 | 42 Ų | 42 | 9% | 0.087 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.5 | -43.4 | 177.7 | -63.8 | 160.4 | 0 | 0 | 0 | 110.8 | E537 I579 S580 L581 H585 R586 H587 F637 | E537-I583 HydrophobicContact CB-CD1 3.75Å; E537-I583 HydrophobicContact CG-CD1 3.45Å; E537-I583 VanDerWaalsContact CG-CD1 3.45Å; I579-I583 HydrophobicContact CG2-CD1 3.97Å; S580-I583 PolarHBondContact O-N 2.97Å; L581-I583 PolarHBondContact O-N 3.46Å; I583-H585 VanDerWaalsContact C-N 3.34Å; I583-H585 PolarHBondContact O-N 2.84Å; I583-R586 PolarHBondContact O-N 2.94Å; I583-H587 WeakPolarHBondContact O-CB 3.33Å; I583-H587 PolarHBondContact O-N 3.43Å; I583-F637 HydrophobicContact CB-CE1 4.07Å; I583-F637 HydrophobicContact CG2-CE1 4.21Å; I583-F637 HydrophobicContact CG2-CZ 4.32Å |
| 584 | F | 86.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -62.1 | -45.3 | 175 | -179.2 | -88.8 | 0 | 0 | 0 | 110.5 | L581 I588 L589 W631 L634 F637 L653 | L581-F584 PolarHBondContact O-N 3.23Å; L581-F584 VanDerWaalsContact O-N 3.15Å; F584-I588 HydrophobicContact CD2-CB 3.94Å; F584-I588 HydrophobicContact CD2-CD1 4Å; F584-I588 HydrophobicContact CD2-CG2 3.92Å; F584-I588 HydrophobicContact CE2-CB 4.22Å; F584-I588 HydrophobicContact CE2-CG2 3.71Å; F584-I588 HydrophobicContact CG-CB 4.45Å; F584-I588 HydrophobicContact CZ-CG2 4.44Å; F584-I588 PolarHBondContact O-N 3.26Å; F584-I588 VanDerWaalsContact O-N 3.16Å; F584-L589 HydrophobicContact CD1-CB 4.49Å; F584-L589 HydrophobicContact CE1-CB 4.31Å; F584-L589 HydrophobicContact CE1-CD1 4.28Å; F584-L589 WeakPolarHBondContact O-CB 3.33Å; F584-L589 PolarHBondContact O-N 3.21Å; F584-W631 HydrophobicContact CE1-CE3 4.33Å; F584-W631 HydrophobicContact CE1-CZ3 4.1Å; F584-W631 HydrophobicContact CZ-CD2 4.38Å; F584-W631 AromaticContact CZ-CE3 3.91Å; F584-W631 HydrophobicContact CZ-CE3 3.91Å; F584-W631 HydrophobicContact CZ-CZ3 4.16Å; F584-L634 HydrophobicContact CD1-CD1 4.05Å; F584-L634 HydrophobicContact CD2-CB 4.37Å; F584-L634 HydrophobicContact CD2-CD1 4.09Å; F584-L634 HydrophobicContact CE1-CD1 4.14Å; F584-L634 HydrophobicContact CE2-CB 3.83Å; F584-L634 HydrophobicContact CE2-CD1 4.21Å; F584-L634 HydrophobicContact CG-CD1 4.01Å; F584-L634 HydrophobicContact CZ-CB 4.05Å; F584-L634 HydrophobicContact CZ-CD1 4.23Å; F584-F637 HydrophobicContact CB-CD1 4.33Å; F584-F637 HydrophobicContact CB-CD2 4.14Å; F584-F637 HydrophobicContact CB-CE1 4.11Å; F584-F637 HydrophobicContact CB-CE2 3.9Å; F584-F637 HydrophobicContact CB-CG 4.35Å; F584-F637 HydrophobicContact CB-CZ 3.89Å; F584-F637 HydrophobicContact CD2-CD2 4.03Å; F584-F637 AromaticContact CD2-CE2 3.76Å; F584-F637 HydrophobicContact CD2-CE2 3.76Å; F584-F637 HydrophobicContact CD2-CZ 4.48Å; F584-F637 HydrophobicContact CG-CD2 4.46Å; F584-F637 HydrophobicContact CG-CE2 4.3Å; F584-L653 HydrophobicContact CD1-CD1 3.54Å; F584-L653 HydrophobicContact CE1-CD1 4.14Å |
| 585 | H | 84.1 | Confident | 83.9 | Confident | 75 Ų | 75 | 43.2 Ų | 43.2 | 35% | 0.347 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -65.5 | -37.4 | -179.6 | -175.9 | -113.1 | 0 | 0 | 0 | 113.3 | L581 S582 I583 P590 L653 | L581-H585 PolarHBondContact O-N 2.9Å; S582-H585 PolarHBondContact O-N 3.42Å; I583-H585 VanDerWaalsContact C-N 3.34Å; I583-H585 PolarHBondContact O-N 2.84Å; H585-P590 WeakPolarHBondContact O-CD 3.41Å; H585-L653 HydrophobicContact CB-CD1 4.28Å |
| 586 | R | 83.8 | Confident | 84 | Confident | 192 Ų | 192 | 45.8 Ų | 45.8 | 73% | 0.725 | 22% | 0.219 | S | C | * | . | I | π-helix | trans | -88 | -36.3 | -175.5 | -172.1 | 178.7 | 176.4 | 101.9 | -0.4 | 114 | S582 I583 P590 | S582-R586 VanDerWaalsContact O-CB 3.22Å; S582-R586 WeakPolarHBondContact O-CB 3.45Å; S582-R586 PolarHBondContact O-N 3.44Å; I583-R586 PolarHBondContact O-N 2.94Å; R586-P590 WeakPolarHBondContact O-CG 3.46Å |
| 587 | H | 83.1 | Confident | 84.4 | Confident | 63 Ų | 63 | 42.9 Ų | 42.9 | 29% | 0.292 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -110.5 | -34.5 | -171.5 | -67.9 | -83.7 | 0 | 0 | 0 | 114.1 | I583 L591 | I583-H587 WeakPolarHBondContact O-CB 3.33Å; I583-H587 PolarHBondContact O-N 3.43Å; H587-L591 VanDerWaalsContact O-CD1 3.29Å; H587-L591 WeakPolarHBondContact O-CD1 3.17Å; H587-L591 WeakPolarHBondContact O-CG 3.35Å |
| 588 | I | 87.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -97.2 | -42.4 | -174.4 | -61.6 | 176.4 | 0 | 0 | 0 | 111.4 | L540 L570 F584 L591 A592 L630 F637 | L540-I588 HydrophobicContact CD1-CD1 4.04Å; L540-I588 HydrophobicContact CD1-CG1 4.39Å; L570-I588 HydrophobicContact CD2-CD1 4.27Å; F584-I588 HydrophobicContact CD2-CB 3.94Å; F584-I588 HydrophobicContact CD2-CD1 4Å; F584-I588 HydrophobicContact CD2-CG2 3.92Å; F584-I588 HydrophobicContact CE2-CB 4.22Å; F584-I588 HydrophobicContact CE2-CG2 3.71Å; F584-I588 HydrophobicContact CG-CB 4.45Å; F584-I588 HydrophobicContact CZ-CG2 4.44Å; F584-I588 PolarHBondContact O-N 3.26Å; F584-I588 VanDerWaalsContact O-N 3.16Å; I588-L591 WeakPolarHBondContact O-CB 3.48Å; I588-L591 PolarHBondContact O-N 2.91Å; I588-A592 PolarHBondContact O-N 2.87Å; I588-A592 VanDerWaalsContact O-N 3.09Å; I588-L630 HydrophobicContact CG2-CB 4.17Å; I588-L630 HydrophobicContact CG2-CD2 4.09Å; I588-F637 HydrophobicContact CD1-CE2 3.73Å; I588-F637 HydrophobicContact CD1-CZ 3.79Å |
| 589 | L | 88.2 | Confident | 84.9 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.4 | -43.5 | -176.5 | -174.2 | 66.2 | 0 | 0 | 0 | 113 | F584 L591 A592 D593 W631 R656 | F584-L589 HydrophobicContact CD1-CB 4.49Å; F584-L589 HydrophobicContact CE1-CB 4.31Å; F584-L589 HydrophobicContact CE1-CD1 4.28Å; F584-L589 WeakPolarHBondContact O-CB 3.33Å; F584-L589 PolarHBondContact O-N 3.21Å; L589-L591 PolarHBondContact O-N 3.16Å; L589-A592 WeakPolarHBondContact O-CB 3.2Å; L589-A592 PolarHBondContact O-N 3.04Å; L589-A592 VanDerWaalsContact O-N 3.09Å; L589-D593 PolarHBondContact O-N 3.25Å; L589-W631 HydrophobicContact CD1-CH2 3.8Å; L589-W631 HydrophobicContact CD1-CZ2 3.43Å; L589-W631 VanDerWaalsContact CD1-CZ2 3.43Å; L589-R656 HydrophobicContact CD2-CG 4.29Å |
| 590 | P | 88.3 | Confident | 84.8 | Confident | 57 Ų | 57 | 38.8 Ų | 38.8 | 37% | 0.37 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.2 | -32.4 | 177.1 | -24.9 | 37.5 | 0 | 0 | 0 | 112.8 | H585 R586 D593 R594 | H585-P590 WeakPolarHBondContact O-CD 3.41Å; R586-P590 WeakPolarHBondContact O-CG 3.46Å; P590-D593 PolarHBondContact O-N 3.47Å; P590-R594 WeakPolarHBondContact O-CB 3.39Å; P590-R594 WeakPolarHBondContact O-CG 3.49Å; P590-R594 PolarHBondContact O-N 2.88Å |
| 591 | L | 85.4 | Confident | 84.4 | Confident | 12 Ų | 12 | 42.9 Ų | 42.9 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.8 | -40.1 | 174.7 | -61.3 | 178 | 0 | 0 | 0 | 111.6 | L547 E548 V551 H587 I588 L589 D593 A595 L630 | L547-L591 HydrophobicContact CB-CD1 3.61Å; L547-L591 HydrophobicContact CD1-CD1 4.41Å; E548-L591 HydrophobicContact CG-CD2 4.15Å; V551-L591 HydrophobicContact CG2-CB 4.01Å; V551-L591 HydrophobicContact CG2-CD2 3.98Å; H587-L591 VanDerWaalsContact O-CD1 3.29Å; H587-L591 WeakPolarHBondContact O-CD1 3.17Å; H587-L591 WeakPolarHBondContact O-CG 3.35Å; I588-L591 WeakPolarHBondContact O-CB 3.48Å; I588-L591 PolarHBondContact O-N 2.91Å; L589-L591 PolarHBondContact O-N 3.16Å; L591-D593 VanDerWaalsContact C-N 3.34Å; L591-A595 WeakPolarHBondContact O-CB 2.99Å; L591-A595 PolarHBondContact O-N 2.95Å; L591-L630 HydrophobicContact CB-CD1 4.15Å |
| 592 | A | 87.2 | Confident | 83.8 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.8 | -40.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I588 L589 A595 L596 L630 | I588-A592 PolarHBondContact O-N 2.87Å; I588-A592 VanDerWaalsContact O-N 3.09Å; L589-A592 WeakPolarHBondContact O-CB 3.2Å; L589-A592 PolarHBondContact O-N 3.04Å; L589-A592 VanDerWaalsContact O-N 3.09Å; A592-A595 PolarHBondContact O-N 2.64Å; A592-L596 WeakPolarHBondContact O-CG 3Å; A592-L596 PolarHBondContact O-N 3.36Å; A592-L630 HydrophobicContact CB-CB 4.03Å; A592-L630 HydrophobicContact CB-CD1 4.07Å |
| 593 | D | 88.3 | Confident | 83.1 | Confident | 55 Ų | 55 | 45.6 Ų | 45.6 | 29% | 0.294 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.4 | -40.9 | 177.8 | -72.6 | -24.1 | 0 | 0 | 0 | 111.8 | L589 P590 L591 L596 A597 R656 | L589-D593 PolarHBondContact O-N 3.25Å; P590-D593 PolarHBondContact O-N 3.47Å; L591-D593 VanDerWaalsContact C-N 3.34Å; D593-L596 PolarHBondContact O-N 3.46Å; D593-A597 WeakPolarHBondContact O-CB 3.45Å; D593-A597 PolarHBondContact O-N 3.45Å; D593-R656 IonicContact OD1-CZ 3.97Å; D593-R656 IonicContact OD1-NH2 3.39Å; D593-R656 PolarHBondContact OD1-NH2 3.41Å; D593-R656 IonicContact OD2-NH2 2.69Å |
| 594 | R | 87.9 | Confident | 81.8 | Confident | 81 Ų | 81 | 48 Ų | 48 | 31% | 0.306 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 171.5 | -77.8 | 174.1 | 63.5 | -171.9 | 1.7 | 111.9 | V551 E555 P590 L596 A597 V598 | V551-R594 HydrophobicContact CG1-CB 3.68Å; E555-R594 IonicContact OE1-CZ 3.05Å; E555-R594 IonicContact OE1-NE 3.43Å; E555-R594 PolarHBondContact OE1-NE 2.8Å; E555-R594 IonicContact OE1-NH2 3.88Å; E555-R594 PolarHBondContact OE1-NH2 2.73Å; E555-R594 IonicContact OE2-NH2 2.81Å; E555-R594 PolarHBondContact OE2-NH2 3.37Å; P590-R594 WeakPolarHBondContact O-CB 3.39Å; P590-R594 WeakPolarHBondContact O-CG 3.49Å; P590-R594 PolarHBondContact O-N 2.88Å; R594-L596 VanDerWaalsContact C-N 3.31Å; R594-L596 PolarHBondContact O-N 3.14Å; R594-A597 WeakPolarHBondContact O-CB 3.36Å; R594-A597 PolarHBondContact O-N 3.21Å; R594-A597 VanDerWaalsContact O-N 3.09Å; R594-V598 WeakPolarHBondContact O-CG2 3.21Å; R594-V598 PolarHBondContact O-N 3.09Å |
| 595 | A | 86.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L554 L591 A592 V598 A599 S623 V626 A627 | L554-A595 HydrophobicContact CD1-CB 4.41Å; L591-A595 WeakPolarHBondContact O-CB 2.99Å; L591-A595 PolarHBondContact O-N 2.95Å; A592-A595 PolarHBondContact O-N 2.64Å; A595-V598 PolarHBondContact O-N 2.9Å; A595-A599 PolarHBondContact O-N 2.85Å; A595-A599 VanDerWaalsContact O-N 3.15Å; A595-S623 WeakPolarHBondContact O-CB 3.21Å; A595-V626 HydrophobicContact CB-CG1 4.4Å; A595-A627 HydrophobicContact CB-CB 4.4Å |
| 596 | L | 85 | Confident | 78.7 | Confident | 58 Ų | 58 | 51.2 Ų | 51.2 | 30% | 0.304 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.1 | -34.2 | 173.8 | -71.5 | 173.8 | 0 | 0 | 0 | 112.9 | A592 D593 R594 A599 S600 A627 | A592-L596 WeakPolarHBondContact O-CG 3Å; A592-L596 PolarHBondContact O-N 3.36Å; D593-L596 PolarHBondContact O-N 3.46Å; R594-L596 VanDerWaalsContact C-N 3.31Å; R594-L596 PolarHBondContact O-N 3.14Å; L596-A599 WeakPolarHBondContact O-CB 3.44Å; L596-A599 PolarHBondContact O-N 2.92Å; L596-S600 PolarHBondContact O-N 3.12Å; L596-A627 HydrophobicContact CD1-CB 4.43Å; L596-A627 HydrophobicContact CD2-CB 3.79Å; L596-A627 HydrophobicContact CG-CB 3.76Å |
| 597 | A | 84.8 | Confident | 77.1 | Confident | 52 Ų | 52 | 47.5 Ų | 47.5 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | D593 R594 A599 S600 L601 | D593-A597 WeakPolarHBondContact O-CB 3.45Å; D593-A597 PolarHBondContact O-N 3.45Å; R594-A597 WeakPolarHBondContact O-CB 3.36Å; R594-A597 PolarHBondContact O-N 3.21Å; R594-A597 VanDerWaalsContact O-N 3.09Å; A597-A599 VanDerWaalsContact C-N 3.34Å; A597-A599 PolarHBondContact O-N 3.32Å; A597-S600 WeakPolarHBondContact CA-OG 3.49Å; A597-S600 PolarHBondContact O-N 2.68Å; A597-S600 VanDerWaalsContact O-N 3.14Å; A597-S600 PolarHBondContact O-OG 3.26Å; A597-L601 PolarHBondContact O-N 2.9Å |
| 598 | V | 82.5 | Confident | 75.5 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 172.5 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | E555 R594 A595 S600 L601 H602 | E555-V598 HydrophobicContact CG-CG2 3.67Å; R594-V598 WeakPolarHBondContact O-CG2 3.21Å; R594-V598 PolarHBondContact O-N 3.09Å; A595-V598 PolarHBondContact O-N 2.9Å; V598-S600 VanDerWaalsContact C-N 3.3Å; V598-S600 PolarHBondContact O-N 3.27Å; V598-L601 PolarHBondContact O-N 2.91Å; V598-H602 PolarHBondContact O-CD2 3.12Å; V598-H602 PolarHBondContact O-N 3.35Å |
| 599 | A | 81.2 | Confident | 73.4 | Confident | 7 Ų | 7 | 56 Ų | 56 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.1 | -44 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A595 L596 A597 S603 M620 S623 I624 | A595-A599 PolarHBondContact O-N 2.85Å; A595-A599 VanDerWaalsContact O-N 3.15Å; L596-A599 WeakPolarHBondContact O-CB 3.44Å; L596-A599 PolarHBondContact O-N 2.92Å; A597-A599 VanDerWaalsContact C-N 3.34Å; A597-A599 PolarHBondContact O-N 3.32Å; A599-S603 WeakPolarHBondContact O-CB 3.43Å; A599-S603 PolarHBondContact O-N 2.97Å; A599-M620 HydrophobicContact CB-CG 4.2Å; A599-S623 VanDerWaalsContact CB-OG 3.25Å; A599-S623 WeakPolarHBondContact CB-OG 3.38Å; A599-I624 HydrophobicContact CB-CG1 4.06Å |
| 600 | S | 79.5 | Confident | 71.3 | Confident | 60 Ų | 60 | 61.9 Ų | 61.9 | 42% | 0.42 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.7 | -37.9 | -179 | 76.4 | 0 | 0 | 0 | 0 | 113 | L596 A597 V598 S603 S604 | L596-S600 PolarHBondContact O-N 3.12Å; A597-S600 WeakPolarHBondContact CA-OG 3.49Å; A597-S600 PolarHBondContact O-N 2.68Å; A597-S600 VanDerWaalsContact O-N 3.14Å; A597-S600 PolarHBondContact O-OG 3.26Å; V598-S600 VanDerWaalsContact C-N 3.3Å; V598-S600 PolarHBondContact O-N 3.27Å; S600-S603 WeakPolarHBondContact CA-OG 3.38Å; S600-S603 PolarHBondContact O-N 3.33Å; S600-S603 PolarHBondContact O-OG 3.14Å; S600-S604 PolarHBondContact O-N 3.12Å; S600-S604 PolarHBondContact O-OG 2.97Å |
| 601 | L | 78 | Confident | 69.3 | Low | 107 Ų | 107 | 68.7 Ų | 68.7 | 56% | 0.56 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.4 | -48.7 | 177.6 | -177.7 | 64 | 0 | 0 | 0 | 110.3 | A597 V598 S603 S604 T605 | A597-L601 PolarHBondContact O-N 2.9Å; V598-L601 PolarHBondContact O-N 2.91Å; L601-S603 VanDerWaalsContact C-N 3.31Å; L601-S603 PolarHBondContact O-N 3.19Å; L601-S604 WeakPolarHBondContact O-CA 3.4Å; L601-S604 WeakPolarHBondContact O-CB 3.4Å; L601-S604 PolarHBondContact O-N 2.8Å; L601-T605 PolarHBondContact O-N 2.87Å; L601-T605 PolarHBondContact O-OG1 3.35Å |
| 602 | H | 69.3 | Low | 67.8 | Low | 49 Ų | 49 | 73.9 Ų | 73.9 | 23% | 0.227 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -71 | -25.6 | 178.4 | -66.8 | -55.6 | 0 | 0 | 0 | 113.6 | V598 S604 T606 L619 | V598-H602 PolarHBondContact O-CD2 3.12Å; V598-H602 PolarHBondContact O-N 3.35Å; H602-S604 VanDerWaalsContact C-N 3.29Å; H602-T606 WeakPolarHBondContact O-CG2 3.46Å; H602-L619 WeakPolarHBondContact CD2-CD2 3.49Å; H602-L619 WeakPolarHBondContact NE2-CD2 3.44Å |
| 603 | S | 64.4 | Low | 65.7 | Low | 52 Ų | 52 | 82.4 Ų | 82.4 | 36% | 0.364 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.4 | -25.2 | 168.2 | 79.3 | 0 | 0 | 0 | 0 | 113 | A599 S600 L601 T606 | A599-S603 WeakPolarHBondContact O-CB 3.43Å; A599-S603 PolarHBondContact O-N 2.97Å; S600-S603 WeakPolarHBondContact CA-OG 3.38Å; S600-S603 PolarHBondContact O-N 3.33Å; S600-S603 PolarHBondContact O-OG 3.14Å; L601-S603 VanDerWaalsContact C-N 3.31Å; L601-S603 PolarHBondContact O-N 3.19Å; S603-T606 PolarHBondContact O-OG1 2.98Å |
| 604 | S | 56.6 | Low | 63.7 | Low | 68 Ų | 68 | 84.4 Ų | 84.4 | 48% | 0.476 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -88.5 | -35 | 179.1 | -54 | 0 | 0 | 0 | 0 | 111.7 | S600 L601 H602 T606 V607 | S600-S604 PolarHBondContact O-N 3.12Å; S600-S604 PolarHBondContact O-OG 2.97Å; L601-S604 WeakPolarHBondContact O-CA 3.4Å; L601-S604 WeakPolarHBondContact O-CB 3.4Å; L601-S604 PolarHBondContact O-N 2.8Å; H602-S604 VanDerWaalsContact C-N 3.29Å; S604-T606 PolarHBondContact O-N 2.69Å; S604-V607 WeakPolarHBondContact O-CB 3.23Å; S604-V607 PolarHBondContact O-N 2.69Å |
| 605 | T | 55.2 | Low | 62.1 | Low | 59 Ų | 59 | 84 Ų | 84 | 36% | 0.362 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.1 | -24.8 | 175.4 | -47.4 | 0 | 0 | 0 | 0 | 112.2 | L601 V607 L608 S609 | L601-T605 PolarHBondContact O-N 2.87Å; L601-T605 PolarHBondContact O-OG1 3.35Å; T605-V607 PolarHBondContact O-N 3.41Å; T605-L608 PolarHBondContact O-N 2.98Å; T605-S609 WeakPolarHBondContact CG2-OG 2.95Å |
| 606 | T | 50.6 | Low | 61.1 | Low | 82 Ų | 82 | 87.9 Ų | 87.9 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.7 | -14.2 | 172.6 | 65.4 | 0 | 0 | 0 | 0 | 113.6 | H602 S603 S604 P615 | H602-T606 WeakPolarHBondContact O-CG2 3.46Å; S603-T606 PolarHBondContact O-OG1 2.98Å; S604-T606 PolarHBondContact O-N 2.69Å; T606-P615 HydrophobicContact CG2-CB 3.45Å; T606-P615 VanDerWaalsContact CG2-CB 3.45Å |
| 607 | V | 49.9 | Very low | 60.7 | Low | 114 Ų | 114 | 88.5 Ų | 88.5 | 69% | 0.691 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -101.9 | -29.7 | -176.1 | -172.4 | 0 | 0 | 0 | 0 | 113.2 | S604 T605 | S604-V607 WeakPolarHBondContact O-CB 3.23Å; S604-V607 PolarHBondContact O-N 2.69Å; T605-V607 PolarHBondContact O-N 3.41Å |
| 608 | L | 48.8 | Very low | 60.4 | Low | 160 Ų | 160 | 88.2 Ų | 88.2 | 84% | 0.838 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -125.1 | -2.2 | -162.8 | -73.7 | 170.7 | 0 | 0 | 0 | 117.9 | T605 | T605-L608 PolarHBondContact O-N 2.98Å |
| 609 | S | 44.9 | Very low | 60.3 | Low | 82 Ų | 82 | 87.7 Ų | 87.7 | 57% | 0.573 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -141 | 147 | 177.2 | 62.9 | 0 | 0 | 0 | 0 | 115.8 | T605 | T605-S609 WeakPolarHBondContact CG2-OG 2.95Š|
| 610 | D | 42.3 | Very low | 60.3 | Low | 131 Ų | 131 | 88.7 Ų | 88.7 | 70% | 0.701 | 50% | 0.502 | S | S | * | . | trans | 6.4 | 115.2 | 178.2 | -80.5 | -29.8 | 0 | 0 | 0 | 118.8 | T612 K613 | D610-T612 PolarHBondContact O-N 3.14Å; D610-K613 PolarHBondContact O-N 3.38Å | ||
| 611 | K | 47.9 | Very low | 60.5 | Low | 200 Ų | 200 | 87.6 Ų | 87.6 | 87% | 0.87 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 4.4 | 173.3 | -67.2 | -174.7 | 175 | -179.9 | 0 | 115.6 | ||
| 612 | T | 52.2 | Low | 60.7 | Low | 120 Ų | 120 | 83.2 Ų | 83.2 | 74% | 0.736 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -15.6 | -175.6 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | D610 | D610-T612 PolarHBondContact O-N 3.14Š|
| 613 | K | 43.8 | Very low | 61.5 | Low | 181 Ų | 181 | 80.9 Ų | 80.9 | 79% | 0.787 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -110.2 | 124.7 | 172.8 | -77.9 | 179.4 | 179.1 | 176.4 | 0 | 111 | D610 | D610-K613 PolarHBondContact O-N 3.38Š|
| 614 | P | 45.7 | Very low | 62.5 | Low | 97 Ų | 97 | 80.2 Ų | 80.2 | 63% | 0.63 | 45% | 0.453 | S | S | * | . | trans | -60.9 | 143.9 | 176.4 | 25.9 | -32.5 | 0 | 0 | 0 | 109.9 | N616 | P614-N616 PolarHBondContact O-N 3.31Š| ||
| 615 | P | 55.4 | Low | 63.9 | Low | 72 Ų | 72 | 83.1 Ų | 83.1 | 47% | 0.468 | 46% | 0.457 | S | S | . | . | trans | -59.1 | 124.6 | 173.1 | 27.8 | -35.2 | 0 | 0 | 0 | 108.3 | T606 N617 | T606-P615 HydrophobicContact CG2-CB 3.45Å; T606-P615 VanDerWaalsContact CG2-CB 3.45Å; P615-N617 PolarHBondContact O-N 2.98Å | ||
| 616 | N | 65.4 | Low | 65.5 | Low | 82 Ų | 82 | 80.7 Ų | 80.7 | 44% | 0.439 | 44% | 0.442 | S | S | . | . | trans | -72.4 | 64 | 179.8 | -78.1 | -16.5 | 0 | 0 | 0 | 110.5 | P614 A618 L619 M620 | P614-N616 PolarHBondContact O-N 3.31Å; N616-A618 PolarHBondContact O-N 2.68Å; N616-A618 VanDerWaalsContact O-N 3.15Å; N616-L619 HydrophobicContact CB-CB 3.95Å; N616-L619 WeakPolarHBondContact O-CB 3.34Å; N616-L619 PolarHBondContact O-N 3.14Å; N616-M620 PolarHBondContact O-N 2.91Å | ||
| 617 | N | 76.5 | Confident | 67.2 | Low | 71 Ų | 71 | 76.9 Ų | 76.9 | 38% | 0.38 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -54.4 | -34.5 | 177.8 | -73 | -10.6 | 0 | 0 | 0 | 111.1 | P615 L619 M620 T621 | P615-N617 PolarHBondContact O-N 2.98Å; N617-L619 PolarHBondContact O-N 3.12Å; N617-M620 PolarHBondContact O-N 3.47Å; N617-T621 WeakPolarHBondContact O-CG2 3.47Å; N617-T621 PolarHBondContact O-N 2.97Å; N617-T621 PolarHBondContact O-OG1 3.17Å |
| 618 | A | 79.1 | Confident | 69 | Low | 46 Ų | 46 | 73 Ų | 73 | 38% | 0.38 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57.4 | -47.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | I559 N616 M620 T621 S622 | I559-A618 HydrophobicContact CD1-CB 3.67Å; I559-A618 HydrophobicContact CG1-CB 4.41Å; N616-A618 PolarHBondContact O-N 2.68Å; N616-A618 VanDerWaalsContact O-N 3.15Å; A618-M620 PolarHBondContact O-N 3.46Å; A618-T621 PolarHBondContact O-N 3.36Å; A618-T621 PolarHBondContact O-OG1 2.92Å; A618-S622 PolarHBondContact O-N 2.86Å; A618-S622 PolarHBondContact O-OG 3.43Å |
| 619 | L | 80.3 | Confident | 70.8 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 178.9 | -172.6 | 62.3 | 0 | 0 | 0 | 112.2 | L554 H602 N616 N617 S622 S623 | L554-L619 HydrophobicContact CD2-CD1 3.83Å; H602-L619 WeakPolarHBondContact CD2-CD2 3.49Å; H602-L619 WeakPolarHBondContact NE2-CD2 3.44Å; N616-L619 HydrophobicContact CB-CB 3.95Å; N616-L619 WeakPolarHBondContact O-CB 3.34Å; N616-L619 PolarHBondContact O-N 3.14Å; N617-L619 PolarHBondContact O-N 3.12Å; L619-S622 WeakPolarHBondContact CA-OG 3.5Å; L619-S622 PolarHBondContact O-N 3.49Å; L619-S622 PolarHBondContact O-OG 3.43Å; L619-S623 VanDerWaalsContact O-CB 3.32Å; L619-S623 WeakPolarHBondContact O-CB 3.39Å; L619-S623 PolarHBondContact O-N 2.86Å; L619-S623 PolarHBondContact O-OG 2.9Å |
| 620 | M | 81 | Confident | 73 | Confident | 28 Ų | 28 | 65 Ų | 65 | 14% | 0.138 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 172.9 | -173.4 | 176.4 | 56.6 | 0 | 0 | 111.6 | A599 N616 N617 A618 S623 I624 L1345 | A599-M620 HydrophobicContact CB-CG 4.2Å; N616-M620 PolarHBondContact O-N 2.91Å; N617-M620 PolarHBondContact O-N 3.47Å; A618-M620 PolarHBondContact O-N 3.46Å; M620-S623 WeakPolarHBondContact CA-OG 3.21Å; M620-S623 PolarHBondContact O-OG 3.38Å; M620-I624 HydrophobicContact CG-CD1 4Å; M620-I624 WeakPolarHBondContact O-CD1 3.4Å; M620-I624 VanDerWaalsContact O-CG1 3.24Å; M620-I624 WeakPolarHBondContact O-CG1 3.46Å; M620-I624 PolarHBondContact O-N 3.47Å; M620-I624 VanDerWaalsContact O-N 3.12Å; M620-L1345 HydrophobicContact CE-CB 4.47Å; M620-L1345 HydrophobicContact CE-CD1 3.22Å; M620-L1345 HydrophobicContact CE-CD2 3.56Å; M620-L1345 HydrophobicContact CE-CG 3.9Å |
| 621 | T | 82.3 | Confident | 75.3 | Confident | 37 Ų | 37 | 58.9 Ų | 58.9 | 23% | 0.227 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.6 | -35.4 | 177.8 | 64.7 | 0 | 0 | 0 | 0 | 113 | N617 A618 K625 L1345 | N617-T621 WeakPolarHBondContact O-CG2 3.47Å; N617-T621 PolarHBondContact O-N 2.97Å; N617-T621 PolarHBondContact O-OG1 3.17Å; A618-T621 PolarHBondContact O-N 3.36Å; A618-T621 PolarHBondContact O-OG1 2.92Å; T621-K625 WeakPolarHBondContact O-CB 3.29Å; T621-K625 VanDerWaalsContact O-CG 3.24Å; T621-K625 WeakPolarHBondContact O-CG 3.49Å; T621-K625 PolarHBondContact O-N 3.3Å; T621-K625 VanDerWaalsContact O-N 3.09Å; T621-L1345 HydrophobicContact CG2-CD1 4.21Å |
| 622 | S | 83.7 | Confident | 77.2 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 11% | 0.105 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.1 | -46 | 177.2 | 63.1 | 0 | 0 | 0 | 0 | 110.8 | A618 L619 I624 K625 V626 | A618-S622 PolarHBondContact O-N 2.86Å; A618-S622 PolarHBondContact O-OG 3.43Å; L619-S622 WeakPolarHBondContact CA-OG 3.5Å; L619-S622 PolarHBondContact O-N 3.49Å; L619-S622 PolarHBondContact O-OG 3.43Å; S622-I624 PolarHBondContact O-N 3.43Å; S622-K625 WeakPolarHBondContact O-CB 3.42Å; S622-K625 PolarHBondContact O-N 3.02Å; S622-K625 VanDerWaalsContact O-N 3.16Å; S622-V626 WeakPolarHBondContact O-CG2 3.5Å; S622-V626 PolarHBondContact O-N 2.86Å |
| 623 | S | 85.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.7 | -43.8 | 176.7 | 50.8 | 0 | 0 | 0 | 0 | 113 | A595 A599 L619 M620 K625 V626 A627 | A595-S623 WeakPolarHBondContact O-CB 3.21Å; A599-S623 VanDerWaalsContact CB-OG 3.25Å; A599-S623 WeakPolarHBondContact CB-OG 3.38Å; L619-S623 VanDerWaalsContact O-CB 3.32Å; L619-S623 WeakPolarHBondContact O-CB 3.39Å; L619-S623 PolarHBondContact O-N 2.86Å; L619-S623 PolarHBondContact O-OG 2.9Å; M620-S623 WeakPolarHBondContact CA-OG 3.21Å; M620-S623 PolarHBondContact O-OG 3.38Å; S623-K625 VanDerWaalsContact C-N 3.34Å; S623-K625 PolarHBondContact O-N 2.86Å; S623-V626 PolarHBondContact O-N 3.23Å; S623-A627 WeakPolarHBondContact O-CB 3.49Å; S623-A627 PolarHBondContact O-N 3.31Å |
| 624 | I | 85.5 | Confident | 81 | Confident | 39 Ų | 39 | 36.2 Ų | 36.2 | 20% | 0.2 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.6 | -40.6 | 174.2 | -67.1 | 167.1 | 0 | 0 | 0 | 111.4 | A599 M620 S622 A627 C628 | A599-I624 HydrophobicContact CB-CG1 4.06Å; M620-I624 HydrophobicContact CG-CD1 4Å; M620-I624 WeakPolarHBondContact O-CD1 3.4Å; M620-I624 VanDerWaalsContact O-CG1 3.24Å; M620-I624 WeakPolarHBondContact O-CG1 3.46Å; M620-I624 PolarHBondContact O-N 3.47Å; M620-I624 VanDerWaalsContact O-N 3.12Å; S622-I624 PolarHBondContact O-N 3.43Å; I624-A627 PolarHBondContact O-N 3.2Å; I624-C628 PolarHBondContact O-N 2.91Å; I624-C628 PolarHBondContact O-SG 2.71Å |
| 625 | K | 86.7 | Confident | 82.9 | Confident | 129 Ų | 129 | 33.3 Ų | 33.3 | 56% | 0.561 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -65.5 | -44.5 | 177.6 | -78.1 | 171 | -177.8 | 170.6 | 0 | 111.7 | T621 S622 S623 A627 C628 Q629 | T621-K625 WeakPolarHBondContact O-CB 3.29Å; T621-K625 VanDerWaalsContact O-CG 3.24Å; T621-K625 WeakPolarHBondContact O-CG 3.49Å; T621-K625 PolarHBondContact O-N 3.3Å; T621-K625 VanDerWaalsContact O-N 3.09Å; S622-K625 WeakPolarHBondContact O-CB 3.42Å; S622-K625 PolarHBondContact O-N 3.02Å; S622-K625 VanDerWaalsContact O-N 3.16Å; S623-K625 VanDerWaalsContact C-N 3.34Å; S623-K625 PolarHBondContact O-N 2.86Å; K625-A627 VanDerWaalsContact C-N 3.34Å; K625-C628 PolarHBondContact O-N 2.93Å; K625-Q629 WeakPolarHBondContact O-CG 3.5Å; K625-Q629 PolarHBondContact O-N 3.03Å |
| 626 | V | 87.5 | Confident | 84.3 | Confident | 7 Ų | 7 | 30 Ų | 30 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.5 | -46.9 | 175.7 | 168.2 | 0 | 0 | 0 | 0 | 110 | I550 L554 L561 L567 A595 S622 S623 C628 Q629 L630 | I550-V626 HydrophobicContact CG2-CG1 4Å; I550-V626 HydrophobicContact CG2-CG2 4.46Å; L554-V626 HydrophobicContact CD1-CB 4.2Å; L554-V626 HydrophobicContact CD1-CG1 4.06Å; L554-V626 HydrophobicContact CD1-CG2 4.2Å; L561-V626 HydrophobicContact CD1-CG2 3.68Å; L567-V626 HydrophobicContact CD1-CG1 4.03Å; L567-V626 HydrophobicContact CD1-CG2 4.38Å; A595-V626 HydrophobicContact CB-CG1 4.4Å; S622-V626 WeakPolarHBondContact O-CG2 3.5Å; S622-V626 PolarHBondContact O-N 2.86Å; S623-V626 PolarHBondContact O-N 3.23Å; V626-C628 PolarHBondContact O-N 3.37Å; V626-Q629 PolarHBondContact O-N 3.34Å; V626-Q629 VanDerWaalsContact O-N 3.17Å; V626-L630 HydrophobicContact CG1-CD1 3.94Å; V626-L630 HydrophobicContact CG1-CG 4.42Å; V626-L630 WeakPolarHBondContact O-CG 3.5Å; V626-L630 PolarHBondContact O-N 3.04Å |
| 627 | A | 88.1 | Confident | 85.2 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 2% | 0.017 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.5 | -46.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A595 L596 S623 I624 K625 Q629 L630 W631 | A595-A627 HydrophobicContact CB-CB 4.4Å; L596-A627 HydrophobicContact CD1-CB 4.43Å; L596-A627 HydrophobicContact CD2-CB 3.79Å; L596-A627 HydrophobicContact CG-CB 3.76Å; S623-A627 WeakPolarHBondContact O-CB 3.49Å; S623-A627 PolarHBondContact O-N 3.31Å; I624-A627 PolarHBondContact O-N 3.2Å; K625-A627 VanDerWaalsContact C-N 3.34Å; A627-Q629 VanDerWaalsContact C-N 3.33Å; A627-Q629 PolarHBondContact O-N 3.35Å; A627-L630 PolarHBondContact O-N 3.02Å; A627-W631 PolarHBondContact O-N 2.94Å |
| 628 | C | 86.9 | Confident | 85.6 | Confident | 33 Ų | 33 | 23.1 Ų | 23.1 | 22% | 0.223 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.6 | -37.3 | 177.4 | -69 | 0 | 0 | 0 | 0 | 113 | I624 K625 V626 W631 S632 L667 | I624-C628 PolarHBondContact O-N 2.91Å; I624-C628 PolarHBondContact O-SG 2.71Å; K625-C628 PolarHBondContact O-N 2.93Å; V626-C628 PolarHBondContact O-N 3.37Å; C628-W631 PolarHBondContact O-N 3.34Å; C628-S632 PolarHBondContact O-N 3.25Å; C628-L667 HydrophobicContact CB-CD2 4.4Å |
| 629 | Q | 87.1 | Confident | 85.7 | Confident | 70 Ų | 70 | 23.5 Ų | 23.5 | 33% | 0.327 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -70.6 | -40.9 | 176.9 | -72.2 | 177.6 | 0.9 | 0 | 0 | 111.4 | L567 K625 V626 A627 W631 S632 S633 | L567-Q629 HydrophobicContact CB-CB 4.05Å; L567-Q629 HydrophobicContact CD1-CB 4.19Å; K625-Q629 WeakPolarHBondContact O-CG 3.5Å; K625-Q629 PolarHBondContact O-N 3.03Å; V626-Q629 PolarHBondContact O-N 3.34Å; V626-Q629 VanDerWaalsContact O-N 3.17Å; A627-Q629 VanDerWaalsContact C-N 3.33Å; A627-Q629 PolarHBondContact O-N 3.35Å; Q629-W631 VanDerWaalsContact C-N 3.32Å; Q629-W631 PolarHBondContact O-N 3.13Å; Q629-S632 WeakPolarHBondContact CA-OG 3.22Å; Q629-S632 WeakPolarHBondContact O-CA 3.5Å; Q629-S632 WeakPolarHBondContact O-CB 3.49Å; Q629-S632 PolarHBondContact O-N 3.26Å; Q629-S632 PolarHBondContact O-OG 3Å; Q629-S633 PolarHBondContact O-N 2.87Å |
| 630 | L | 89.8 | Confident | 85.9 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.4 | -43.1 | 171.8 | -71.8 | 168.3 | 0 | 0 | 0 | 111.1 | L567 I588 L591 A592 V626 A627 S632 S633 | L567-L630 HydrophobicContact CD2-CD2 3.52Å; L567-L630 HydrophobicContact CD2-CG 4.15Å; I588-L630 HydrophobicContact CG2-CB 4.17Å; I588-L630 HydrophobicContact CG2-CD2 4.09Å; L591-L630 HydrophobicContact CB-CD1 4.15Å; A592-L630 HydrophobicContact CB-CB 4.03Å; A592-L630 HydrophobicContact CB-CD1 4.07Å; V626-L630 HydrophobicContact CG1-CD1 3.94Å; V626-L630 HydrophobicContact CG1-CG 4.42Å; V626-L630 WeakPolarHBondContact O-CG 3.5Å; V626-L630 PolarHBondContact O-N 3.04Å; A627-L630 PolarHBondContact O-N 3.02Å; L630-S632 VanDerWaalsContact C-N 3.29Å; L630-S632 PolarHBondContact O-N 3.11Å; L630-S633 VanDerWaalsContact O-CB 3.3Å; L630-S633 WeakPolarHBondContact O-CB 3.3Å; L630-S633 PolarHBondContact O-N 3.06Å; L630-S633 VanDerWaalsContact O-N 3.16Å; L630-S633 PolarHBondContact O-OG 2.96Å |
| 631 | W | 90.5 | Very high | 85.8 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.7 | -32.4 | 172.4 | -85.6 | 101.5 | 0 | 0 | 0 | 113.2 | F584 L589 A627 C628 Q629 S633 L634 R656 L657 E660 L667 | F584-W631 HydrophobicContact CE1-CE3 4.33Å; F584-W631 HydrophobicContact CE1-CZ3 4.1Å; F584-W631 HydrophobicContact CZ-CD2 4.38Å; F584-W631 AromaticContact CZ-CE3 3.91Å; F584-W631 HydrophobicContact CZ-CE3 3.91Å; F584-W631 HydrophobicContact CZ-CZ3 4.16Å; L589-W631 HydrophobicContact CD1-CH2 3.8Å; L589-W631 HydrophobicContact CD1-CZ2 3.43Å; L589-W631 VanDerWaalsContact CD1-CZ2 3.43Å; A627-W631 PolarHBondContact O-N 2.94Å; C628-W631 PolarHBondContact O-N 3.34Å; Q629-W631 VanDerWaalsContact C-N 3.32Å; Q629-W631 PolarHBondContact O-N 3.13Å; W631-S633 PolarHBondContact O-N 3.25Å; W631-L634 HydrophobicContact CE3-CD2 4.25Å; W631-L634 HydrophobicContact CZ3-CD2 4.22Å; W631-L634 WeakPolarHBondContact O-CB 3.48Å; W631-L634 PolarHBondContact O-N 3.3Å; W631-L634 VanDerWaalsContact O-N 3.07Å; W631-R656 HydrophobicContact CH2-CG 4.16Å; W631-L657 HydrophobicContact CH2-CD2 4.38Å; W631-L657 HydrophobicContact CZ3-CD2 3.71Å; W631-E660 HydrophobicContact CH2-CG 4.18Å; W631-E660 HydrophobicContact CZ2-CG 3.89Å; W631-L667 HydrophobicContact CB-CD2 3.63Å; W631-L667 HydrophobicContact CD2-CD1 4Å; W631-L667 HydrophobicContact CG-CD1 3.88Å; W631-L667 HydrophobicContact CG-CD2 3.72Å; W631-L667 HydrophobicContact CG-CG 4.44Å |
| 632 | S | 88 | Confident | 85.7 | Confident | 21 Ų | 21 | 26.5 Ų | 26.5 | 15% | 0.147 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.6 | -23.7 | 176.5 | 79.2 | 0 | 0 | 0 | 0 | 112.9 | S571 C628 Q629 L630 L634 N635 | S571-S632 WeakPolarHBondContact CB-OG 3.3Å; C628-S632 PolarHBondContact O-N 3.25Å; Q629-S632 WeakPolarHBondContact CA-OG 3.22Å; Q629-S632 WeakPolarHBondContact O-CA 3.5Å; Q629-S632 WeakPolarHBondContact O-CB 3.49Å; Q629-S632 PolarHBondContact O-N 3.26Å; Q629-S632 PolarHBondContact O-OG 3Å; L630-S632 VanDerWaalsContact C-N 3.29Å; L630-S632 PolarHBondContact O-N 3.11Å; S632-L634 PolarHBondContact O-N 3.41Å; S632-N635 WeakPolarHBondContact O-CB 3.48Å; S632-N635 PolarHBondContact O-N 2.83Å; S632-N635 VanDerWaalsContact O-N 3.17Å; S632-N635 PolarHBondContact O-ND2 3.4Å |
| 633 | S | 87.8 | Confident | 85.4 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -18.8 | 171 | 77.9 | 0 | 0 | 0 | 0 | 112.8 | Q629 L630 W631 N635 M636 F637 | Q629-S633 PolarHBondContact O-N 2.87Å; L630-S633 VanDerWaalsContact O-CB 3.3Å; L630-S633 WeakPolarHBondContact O-CB 3.3Å; L630-S633 PolarHBondContact O-N 3.06Å; L630-S633 VanDerWaalsContact O-N 3.16Å; L630-S633 PolarHBondContact O-OG 2.96Å; W631-S633 PolarHBondContact O-N 3.25Å; S633-N635 PolarHBondContact O-N 3.03Å; S633-N635 VanDerWaalsContact O-N 3.1Å; S633-M636 WeakPolarHBondContact O-CB 3.48Å; S633-M636 PolarHBondContact O-N 3.4Å; S633-F637 WeakPolarHBondContact O-CD2 3.45Å |
| 634 | L | 88.9 | Confident | 85.1 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.8 | -30 | 174.2 | -173.4 | 57.1 | 0 | 0 | 0 | 111.9 | F584 W631 S632 M636 F637 V638 L657 T674 | F584-L634 HydrophobicContact CD1-CD1 4.05Å; F584-L634 HydrophobicContact CD2-CB 4.37Å; F584-L634 HydrophobicContact CD2-CD1 4.09Å; F584-L634 HydrophobicContact CE1-CD1 4.14Å; F584-L634 HydrophobicContact CE2-CB 3.83Å; F584-L634 HydrophobicContact CE2-CD1 4.21Å; F584-L634 HydrophobicContact CG-CD1 4.01Å; F584-L634 HydrophobicContact CZ-CB 4.05Å; F584-L634 HydrophobicContact CZ-CD1 4.23Å; W631-L634 HydrophobicContact CE3-CD2 4.25Å; W631-L634 HydrophobicContact CZ3-CD2 4.22Å; W631-L634 WeakPolarHBondContact O-CB 3.48Å; W631-L634 PolarHBondContact O-N 3.3Å; W631-L634 VanDerWaalsContact O-N 3.07Å; S632-L634 PolarHBondContact O-N 3.41Å; L634-M636 PolarHBondContact O-N 3.25Å; L634-F637 PolarHBondContact O-N 3.06Å; L634-F637 VanDerWaalsContact O-N 3.08Å; L634-V638 WeakPolarHBondContact O-CG2 3.17Å; L634-L657 HydrophobicContact CD2-CD2 3.78Å; L634-T674 HydrophobicContact CB-CG2 4.32Å; L634-T674 HydrophobicContact CD2-CG2 3.63Å; L634-T674 HydrophobicContact CG-CG2 3.67Å |
| 635 | N | 84.4 | Confident | 84.9 | Confident | 37 Ų | 37 | 33.1 Ų | 33.1 | 20% | 0.198 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.8 | -37.7 | 175.1 | -65.8 | -28.8 | 0 | 0 | 0 | 112.5 | S632 S633 F637 V638 H639 H673 | S632-N635 WeakPolarHBondContact O-CB 3.48Å; S632-N635 PolarHBondContact O-N 2.83Å; S632-N635 VanDerWaalsContact O-N 3.17Å; S632-N635 PolarHBondContact O-ND2 3.4Å; S633-N635 PolarHBondContact O-N 3.03Å; S633-N635 VanDerWaalsContact O-N 3.1Å; N635-F637 PolarHBondContact O-N 3.18Å; N635-V638 PolarHBondContact O-N 3.31Å; N635-V638 VanDerWaalsContact O-N 3.15Å; N635-H639 PolarHBondContact O-CD2 3.4Å; N635-H639 PolarHBondContact O-N 3.3Å; N635-H673 PolarHBondContact OD1-CD2 3.29Å; N635-H673 VanDerWaalsContact OD1-CD2 3.29Å |
| 636 | M | 84.7 | Confident | 84.6 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -53.9 | -39.4 | 176.7 | -172.8 | -176.8 | 60.5 | 0 | 0 | 111.5 | V531 P536 L570 A573 P575 S633 L634 | V531-M636 HydrophobicContact CG1-SD 3.85Å; P536-M636 HydrophobicContact CB-CE 3.61Å; P536-M636 HydrophobicContact CB-SD 4.13Å; P536-M636 HydrophobicContact CG-CE 3.67Å; P536-M636 HydrophobicContact CG-SD 4.04Å; L570-M636 HydrophobicContact CD1-CE 3.89Å; L570-M636 HydrophobicContact CD1-SD 3.75Å; L570-M636 HydrophobicContact CG-SD 4.48Å; A573-M636 HydrophobicContact CB-CG 4.37Å; A573-M636 HydrophobicContact CB-SD 4.11Å; P575-M636 HydrophobicContact CG-CG 3.38Å; P575-M636 HydrophobicContact CG-SD 4.04Å; S633-M636 WeakPolarHBondContact O-CB 3.48Å; S633-M636 PolarHBondContact O-N 3.4Å; L634-M636 PolarHBondContact O-N 3.25Å |
| 637 | F | 85.8 | Confident | 84.2 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 1% | 0.013 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -82 | -15.1 | -175.6 | -62.7 | -94 | 0 | 0 | 0 | 114.3 | I579 L581 I583 F584 I588 S633 L634 N635 | I579-F637 HydrophobicContact CB-CD1 4.15Å; I579-F637 HydrophobicContact CG2-CD1 3.48Å; I579-F637 VanDerWaalsContact CG2-CD1 3.48Å; I579-F637 HydrophobicContact CG2-CE1 3.52Å; L581-F637 HydrophobicContact CD2-CB 3.81Å; I583-F637 HydrophobicContact CB-CE1 4.07Å; I583-F637 HydrophobicContact CG2-CE1 4.21Å; I583-F637 HydrophobicContact CG2-CZ 4.32Å; F584-F637 HydrophobicContact CB-CD1 4.33Å; F584-F637 HydrophobicContact CB-CD2 4.14Å; F584-F637 HydrophobicContact CB-CE1 4.11Å; F584-F637 HydrophobicContact CB-CE2 3.9Å; F584-F637 HydrophobicContact CB-CG 4.35Å; F584-F637 HydrophobicContact CB-CZ 3.89Å; F584-F637 HydrophobicContact CD2-CD2 4.03Å; F584-F637 AromaticContact CD2-CE2 3.76Å; F584-F637 HydrophobicContact CD2-CE2 3.76Å; F584-F637 HydrophobicContact CD2-CZ 4.48Å; F584-F637 HydrophobicContact CG-CD2 4.46Å; F584-F637 HydrophobicContact CG-CE2 4.3Å; I588-F637 HydrophobicContact CD1-CE2 3.73Å; I588-F637 HydrophobicContact CD1-CZ 3.79Å; S633-F637 WeakPolarHBondContact O-CD2 3.45Å; L634-F637 PolarHBondContact O-N 3.06Å; L634-F637 VanDerWaalsContact O-N 3.08Å; N635-F637 PolarHBondContact O-N 3.18Å |
| 638 | V | 83.6 | Confident | 83.8 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.03 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 10.2 | -177.8 | -151.8 | 0 | 0 | 0 | 0 | 112.1 | L634 N635 T674 R677 L678 L681 | L634-V638 WeakPolarHBondContact O-CG2 3.17Å; N635-V638 PolarHBondContact O-N 3.31Å; N635-V638 VanDerWaalsContact O-N 3.15Å; V638-T674 HydrophobicContact CG2-CG2 4.07Å; V638-R677 HydrophobicContact CB-CB 4.39Å; V638-R677 HydrophobicContact CB-CG 4.06Å; V638-R677 HydrophobicContact CG1-CB 3.69Å; V638-R677 HydrophobicContact CG1-CG 3.54Å; V638-R677 WeakPolarHBondContact O-CG 3.27Å; V638-R677 PolarHBondContact O-NE 3.22Å; V638-L678 HydrophobicContact CG1-CD2 3.68Å; V638-L678 HydrophobicContact CG1-CG 3.66Å; V638-L681 HydrophobicContact CG1-CD1 4.25Å; V638-L681 WeakPolarHBondContact O-CD1 3.31Å |
| 639 | H | 82.8 | Confident | 83.3 | Confident | 55 Ų | 55 | 33.1 Ų | 33.1 | 26% | 0.255 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -67.2 | -42.5 | 174.2 | -84.1 | -73.8 | 0 | 0 | 0 | 112.3 | N635 R677 | N635-H639 PolarHBondContact O-CD2 3.4Å; N635-H639 PolarHBondContact O-N 3.3Å; H639-R677 PolarHBondContact O-NH2 3.48Å |
| 640 | H | 82.7 | Confident | 82.3 | Confident | 75 Ų | 75 | 35.5 Ų | 35.5 | 35% | 0.347 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -112.8 | 166.7 | 175.8 | -64.1 | -69.4 | 0 | 0 | 0 | 110.5 | P575 L681 | P575-H640 PolarHBondContact O-CD2 3.18Å; P575-H640 PolarHBondContact O-NE2 3.04Å; H640-L681 WeakPolarHBondContact O-CD1 3.47Å |
| 641 | S | 80.6 | Confident | 81.2 | Confident | 49 Ų | 49 | 38.7 Ų | 38.7 | 34% | 0.343 | 24% | 0.235 | S | C | . | . | trans | -60.1 | 126.1 | 173 | 50.6 | 0 | 0 | 0 | 0 | 109 | S578 | S578-S641 WeakPolarHBondContact CB-O 3.45Š| ||
| 642 | P | 80 | Confident | 80.6 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.032 | 24% | 0.24 | C | C | . | . | trans | -61.4 | 145.2 | 176.1 | 26.9 | -34.7 | 0 | 0 | 0 | 109.9 | L581 W645 L678 | L581-P642 HydrophobicContact CD1-CB 3.75Å; L581-P642 HydrophobicContact CD1-CG 3.99Å; L581-P642 HydrophobicContact CG-CB 3.78Å; P642-W645 HydrophobicContact CG-CD2 3.9Å; P642-W645 HydrophobicContact CG-CE3 4.25Å; P642-W645 HydrophobicContact CG-CG 4.44Å; P642-W645 HydrophobicContact CG-CH2 4.12Å; P642-W645 HydrophobicContact CG-CZ2 3.74Å; P642-W645 HydrophobicContact CG-CZ3 4.35Å; P642-W645 PolarHBondContact O-NE1 3.07Å; P642-L678 HydrophobicContact CG-CD2 4.32Å | ||
| 643 | I | 77.7 | Confident | 80.3 | Confident | 108 Ų | 108 | 38.3 Ų | 38.3 | 55% | 0.554 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -65.7 | -45.2 | 178.9 | -59.8 | 173.1 | 0 | 0 | 0 | 109.5 | S578 | S578-I643 WeakPolarHBondContact O-CD1 3.28Å; S578-I643 WeakPolarHBondContact OG-CG1 3.29Å |
| 644 | D | 77.9 | Confident | 80.1 | Confident | 64 Ų | 64 | 38.8 Ų | 38.8 | 34% | 0.342 | 24% | 0.239 | S | C | . | . | trans | -114.7 | 119.2 | 179.9 | -167.7 | 2 | 0 | 0 | 0 | 111.5 | S646 | D644-S646 WeakPolarHBondContact OD1-CB 3.34Å; D644-S646 PolarHBondContact OD1-N 3.2Å; D644-S646 PolarHBondContact OD1-OG 3.46Å; D644-S646 PolarHBondContact OD2-OG 3.12Å | ||
| 645 | W | 80.7 | Confident | 79.9 | Confident | 21 Ų | 21 | 41.3 Ų | 41.3 | 8% | 0.08 | 26% | 0.257 | C | S | . | . | trans | -89.8 | -10.9 | 175.7 | -68.2 | 80.8 | 0 | 0 | 0 | 112.4 | P642 E647 L648 L678 L681 A682 A688 V691 M692 | P642-W645 HydrophobicContact CG-CD2 3.9Å; P642-W645 HydrophobicContact CG-CE3 4.25Å; P642-W645 HydrophobicContact CG-CG 4.44Å; P642-W645 HydrophobicContact CG-CH2 4.12Å; P642-W645 HydrophobicContact CG-CZ2 3.74Å; P642-W645 HydrophobicContact CG-CZ3 4.35Å; P642-W645 PolarHBondContact O-NE1 3.07Å; W645-E647 VanDerWaalsContact C-N 3.26Å; W645-E647 PolarHBondContact O-N 3.47Å; W645-L648 HydrophobicContact CE3-CD1 3.76Å; W645-L648 HydrophobicContact CZ3-CD1 4.08Å; W645-L648 PolarHBondContact O-N 3.03Å; W645-L648 VanDerWaalsContact O-N 3.09Å; W645-L678 HydrophobicContact CH2-CD2 4.12Å; W645-L678 HydrophobicContact CZ3-CD2 3.93Å; W645-L681 HydrophobicContact CH2-CB 4.42Å; W645-A682 HydrophobicContact CH2-CB 4.06Å; W645-A682 HydrophobicContact CZ3-CB 4.34Å; W645-A688 HydrophobicContact CD2-CB 3.41Å; W645-A688 VanDerWaalsContact CD2-CB 3.41Å; W645-A688 HydrophobicContact CE3-CB 3.69Å; W645-A688 HydrophobicContact CG-CB 3.99Å; W645-A688 HydrophobicContact CH2-CB 3.84Å; W645-A688 HydrophobicContact CZ2-CB 3.56Å; W645-A688 HydrophobicContact CZ3-CB 3.9Å; W645-V691 HydrophobicContact CB-CG2 4.3Å; W645-M692 HydrophobicContact CZ3-CG 4.12Å; W645-M692 HydrophobicContact CZ3-SD 4.33Å | ||
| 646 | S | 80.4 | Confident | 80 | Confident | 60 Ų | 60 | 41.7 Ų | 41.7 | 42% | 0.42 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -60.2 | -34.6 | -175.5 | 76.4 | 0 | 0 | 0 | 0 | 112.8 | D644 L648 S649 | D644-S646 WeakPolarHBondContact OD1-CB 3.34Å; D644-S646 PolarHBondContact OD1-N 3.2Å; D644-S646 PolarHBondContact OD1-OG 3.46Å; D644-S646 PolarHBondContact OD2-OG 3.12Å; S646-L648 PolarHBondContact O-N 3.33Å; S646-S649 WeakPolarHBondContact O-CB 3.46Å; S646-S649 PolarHBondContact O-N 3.29Å; S646-S649 PolarHBondContact O-OG 3.25Å |
| 647 | E | 79.4 | Confident | 80.2 | Confident | 45 Ų | 45 | 41.7 Ų | 41.7 | 21% | 0.21 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -61.6 | -23.2 | 177.1 | -71 | -71.7 | -175.8 | 0 | 0 | 113.7 | L581 S582 W645 S649 G652 L653 | L581-E647 HydrophobicContact CB-CB 4.29Å; S582-E647 WeakPolarHBondContact CB-OE1 3.44Å; W645-E647 VanDerWaalsContact C-N 3.26Å; W645-E647 PolarHBondContact O-N 3.47Å; E647-S649 VanDerWaalsContact C-N 3.29Å; E647-G652 CarbonylContact O-C 3.58Å; E647-G652 WeakPolarHBondContact O-CA 3.17Å; E647-L653 PolarHBondContact O-N 3.19Å |
| 648 | L | 79.7 | Confident | 80.3 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -85.3 | -0.6 | 176.9 | -67.8 | 170.4 | 0 | 0 | 0 | 113.1 | L581 W645 S646 L653 L657 L678 V691 | L581-L648 HydrophobicContact CD1-CD1 3.77Å; L581-L648 HydrophobicContact CD1-CD2 4.2Å; L581-L648 HydrophobicContact CD1-CG 3.78Å; W645-L648 HydrophobicContact CE3-CD1 3.76Å; W645-L648 HydrophobicContact CZ3-CD1 4.08Å; W645-L648 PolarHBondContact O-N 3.03Å; W645-L648 VanDerWaalsContact O-N 3.09Å; S646-L648 PolarHBondContact O-N 3.33Å; L648-L653 HydrophobicContact CD2-CD2 3.59Å; L648-L657 HydrophobicContact CD2-CD1 4.35Å; L648-L678 HydrophobicContact CD1-CD1 3.88Å; L648-L678 HydrophobicContact CD1-CD2 3.94Å; L648-L678 HydrophobicContact CD2-CD1 4.14Å; L648-V691 HydrophobicContact CB-CG1 3.64Å |
| 649 | S | 76.8 | Confident | 80.5 | Confident | 55 Ų | 55 | 48.2 Ų | 48.2 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -66.5 | 172.2 | 176 | 70.3 | 0 | 0 | 0 | 0 | 112.7 | S646 E647 G651 G652 | S646-S649 WeakPolarHBondContact O-CB 3.46Å; S646-S649 PolarHBondContact O-N 3.29Å; S646-S649 PolarHBondContact O-OG 3.25Å; E647-S649 VanDerWaalsContact C-N 3.29Å; S649-G651 PolarHBondContact O-N 2.91Å; S649-G652 PolarHBondContact O-N 3.17Å |
| 650 | T | 66 | Low | 80.7 | Confident | 119 Ų | 119 | 46.3 Ų | 46.3 | 73% | 0.73 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20.1 | -168.5 | 49.5 | 0 | 0 | 0 | 0 | 115 | S655 | T650-S655 WeakPolarHBondContact O-CB 3.4Š|
| 651 | G | 66.5 | Low | 80.9 | Confident | 73 Ų | 73 | 42.7 Ų | 42.7 | 75% | 0.753 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -7.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S649 | S649-G651 PolarHBondContact O-N 2.91Š|
| 652 | G | 77.6 | Confident | 81.2 | Confident | 12 Ų | 12 | 43 Ų | 43 | 12% | 0.124 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -111.6 | -149.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | E647 S649 G654 S655 R656 | E647-G652 CarbonylContact O-C 3.58Å; E647-G652 WeakPolarHBondContact O-CA 3.17Å; S649-G652 PolarHBondContact O-N 3.17Å; G652-G654 PolarHBondContact O-N 3.4Å; G652-G654 VanDerWaalsContact O-N 3.12Å; G652-S655 PolarHBondContact O-N 3.3Å; G652-S655 PolarHBondContact O-OG 3.25Å; G652-R656 PolarHBondContact O-N 2.87Å |
| 653 | L | 82.3 | Confident | 81.5 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -53.9 | -31.3 | 179.4 | -175.5 | 144.8 | 0 | 0 | 0 | 112.6 | F584 H585 E647 L648 S655 R656 L657 | F584-L653 HydrophobicContact CD1-CD1 3.54Å; F584-L653 HydrophobicContact CE1-CD1 4.14Å; H585-L653 HydrophobicContact CB-CD1 4.28Å; E647-L653 PolarHBondContact O-N 3.19Å; L648-L653 HydrophobicContact CD2-CD2 3.59Å; L653-S655 PolarHBondContact O-N 2.99Å; L653-R656 WeakPolarHBondContact O-CB 3.38Å; L653-R656 PolarHBondContact O-N 3.36Å; L653-L657 HydrophobicContact CD2-CD1 3.52Å; L653-L657 HydrophobicContact CD2-CD2 4.47Å; L653-L657 HydrophobicContact CD2-CG 3.81Å; L653-L657 WeakPolarHBondContact O-CG 3.35Å; L653-L657 PolarHBondContact O-N 3.06Å |
| 654 | G | 84.5 | Confident | 81.9 | Confident | 12 Ų | 12 | 41.9 Ų | 41.9 | 12% | 0.124 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | G652 L657 V658 | G652-G654 PolarHBondContact O-N 3.4Å; G652-G654 VanDerWaalsContact O-N 3.12Å; G654-L657 PolarHBondContact O-N 3.29Å; G654-V658 PolarHBondContact O-N 3.4Å |
| 655 | S | 84.2 | Confident | 82.1 | Confident | 54 Ų | 54 | 42.2 Ų | 42.2 | 38% | 0.378 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 177.1 | 75.1 | 0 | 0 | 0 | 0 | 111.9 | T650 G652 L653 V658 K659 | T650-S655 WeakPolarHBondContact O-CB 3.4Å; G652-S655 PolarHBondContact O-N 3.3Å; G652-S655 PolarHBondContact O-OG 3.25Å; L653-S655 PolarHBondContact O-N 2.99Å; S655-V658 PolarHBondContact O-N 3.17Å; S655-K659 PolarHBondContact O-N 3.33Å |
| 656 | R | 86.3 | Confident | 82.2 | Confident | 46 Ų | 46 | 43.6 Ų | 43.6 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 176 | -170.8 | 73.4 | 175.9 | 127.4 | -0.6 | 111.3 | L589 D593 W631 G652 L653 V658 K659 E660 | L589-R656 HydrophobicContact CD2-CG 4.29Å; D593-R656 IonicContact OD1-CZ 3.97Å; D593-R656 IonicContact OD1-NH2 3.39Å; D593-R656 PolarHBondContact OD1-NH2 3.41Å; D593-R656 IonicContact OD2-NH2 2.69Å; W631-R656 HydrophobicContact CH2-CG 4.16Å; G652-R656 PolarHBondContact O-N 2.87Å; L653-R656 WeakPolarHBondContact O-CB 3.38Å; L653-R656 PolarHBondContact O-N 3.36Å; R656-V658 VanDerWaalsContact C-N 3.32Å; R656-V658 PolarHBondContact O-N 3.36Å; R656-K659 PolarHBondContact O-N 3.01Å; R656-E660 IonicContact CZ-OE1 3.82Å; R656-E660 IonicContact NH1-OE1 3.16Å; R656-E660 PolarHBondContact NH1-OE1 3.43Å; R656-E660 IonicContact NH2-OE1 2.63Å; R656-E660 PolarHBondContact NH2-OE1 2.95Å; R656-E660 WeakPolarHBondContact O-CG 3.32Å; R656-E660 PolarHBondContact O-N 2.96Å |
| 657 | L | 88.4 | Confident | 82.5 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.7 | -41 | 176.9 | -72.5 | 175.9 | 0 | 0 | 0 | 112.4 | W631 L634 L648 L653 G654 E660 L661 I671 F675 | W631-L657 HydrophobicContact CH2-CD2 4.38Å; W631-L657 HydrophobicContact CZ3-CD2 3.71Å; L634-L657 HydrophobicContact CD2-CD2 3.78Å; L648-L657 HydrophobicContact CD2-CD1 4.35Å; L653-L657 HydrophobicContact CD2-CD1 3.52Å; L653-L657 HydrophobicContact CD2-CD2 4.47Å; L653-L657 HydrophobicContact CD2-CG 3.81Å; L653-L657 WeakPolarHBondContact O-CG 3.35Å; L653-L657 PolarHBondContact O-N 3.06Å; G654-L657 PolarHBondContact O-N 3.29Å; L657-E660 PolarHBondContact O-N 3.41Å; L657-L661 WeakPolarHBondContact O-CB 3.38Å; L657-L661 PolarHBondContact O-N 3.1Å; L657-I671 HydrophobicContact CB-CG2 4.3Å; L657-I671 HydrophobicContact CD2-CG1 4.15Å; L657-I671 HydrophobicContact CD2-CG2 4.3Å; L657-F675 HydrophobicContact CB-CE1 4.38Å; L657-F675 HydrophobicContact CB-CE2 4.4Å; L657-F675 HydrophobicContact CB-CZ 3.76Å; L657-F675 HydrophobicContact CD1-CE1 4.13Å; L657-F675 HydrophobicContact CD1-CZ 4.3Å |
| 658 | V | 88.1 | Confident | 83 | Confident | 16 Ų | 16 | 40.9 Ų | 40.9 | 10% | 0.097 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.9 | -40.5 | 178.5 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | G654 S655 R656 L661 S662 F675 A699 N702 | G654-V658 PolarHBondContact O-N 3.4Å; S655-V658 PolarHBondContact O-N 3.17Å; R656-V658 VanDerWaalsContact C-N 3.32Å; R656-V658 PolarHBondContact O-N 3.36Å; V658-L661 PolarHBondContact O-N 3.39Å; V658-S662 PolarHBondContact O-N 2.86Å; V658-S662 PolarHBondContact O-OG 3.02Å; V658-F675 HydrophobicContact CG2-CZ 4.04Å; V658-A699 HydrophobicContact CG2-CB 3.88Å; V658-N702 HydrophobicContact CG1-CB 4.36Å; V658-N702 PolarHBondContact O-ND2 3.46Å |
| 659 | K | 88.1 | Confident | 83.4 | Confident | 130 Ų | 130 | 42.1 Ų | 42.1 | 57% | 0.565 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.2 | -44.8 | 174.1 | -176.8 | 179.6 | 175.8 | -174.9 | 0 | 111.5 | S655 R656 S662 S663 | S655-K659 PolarHBondContact O-N 3.33Å; R656-K659 PolarHBondContact O-N 3.01Å; K659-S662 PolarHBondContact O-N 2.84Å; K659-S662 PolarHBondContact O-OG 3.26Å; K659-S663 PolarHBondContact O-N 2.82Å; K659-S663 PolarHBondContact O-OG 3.2Å |
| 660 | E | 87.2 | Confident | 83.9 | Confident | 14 Ų | 14 | 41 Ų | 41 | 7% | 0.065 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73 | -27.5 | 179.4 | -69 | -53 | 133 | 0 | 0 | 113.4 | W631 R656 L657 S662 S663 A664 L667 I671 | W631-E660 HydrophobicContact CH2-CG 4.18Å; W631-E660 HydrophobicContact CZ2-CG 3.89Å; R656-E660 IonicContact CZ-OE1 3.82Å; R656-E660 IonicContact NH1-OE1 3.16Å; R656-E660 PolarHBondContact NH1-OE1 3.43Å; R656-E660 IonicContact NH2-OE1 2.63Å; R656-E660 PolarHBondContact NH2-OE1 2.95Å; R656-E660 WeakPolarHBondContact O-CG 3.32Å; R656-E660 PolarHBondContact O-N 2.96Å; L657-E660 PolarHBondContact O-N 3.41Å; E660-S662 VanDerWaalsContact C-N 3.31Å; E660-S662 PolarHBondContact O-N 3.04Å; E660-S663 WeakPolarHBondContact CA-OG 3.49Å; E660-S663 PolarHBondContact OE2-OG 3.24Å; E660-A664 WeakPolarHBondContact O-CB 3.24Å; E660-A664 PolarHBondContact O-N 3.34Å; E660-A664 WeakPolarHBondContact OE2-CB 3.31Å; E660-L667 HydrophobicContact CB-CD1 4.4Å; E660-I671 HydrophobicContact CB-CD1 3.65Å |
| 661 | L | 87.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -40.3 | 173 | -177.4 | 63.9 | 0 | 0 | 0 | 111.5 | L657 V658 R668 I671 L672 F675 M703 L706 | L657-L661 WeakPolarHBondContact O-CB 3.38Å; L657-L661 PolarHBondContact O-N 3.1Å; V658-L661 PolarHBondContact O-N 3.39Å; L661-R668 HydrophobicContact CD1-CB 4.1Å; L661-R668 HydrophobicContact CD1-CG 4.11Å; L661-R668 PolarHBondContact O-NE 3.49Å; L661-R668 VanDerWaalsContact O-NE 3.08Å; L661-I671 HydrophobicContact CB-CD1 4.47Å; L661-I671 HydrophobicContact CB-CG2 4.19Å; L661-I671 HydrophobicContact CD1-CB 4.46Å; L661-I671 HydrophobicContact CD1-CG2 4.22Å; L661-L672 HydrophobicContact CD1-CD2 4.27Å; L661-L672 HydrophobicContact CD1-CG 4.13Å; L661-F675 HydrophobicContact CD2-CE2 4.25Å; L661-M703 HydrophobicContact CD2-CE 4.3Å; L661-M703 HydrophobicContact CD2-CG 3.86Å; L661-L706 HydrophobicContact CD1-CD1 4.02Å; L661-L706 HydrophobicContact CD2-CD1 4.32Å; L661-L706 HydrophobicContact CG-CD1 3.75Å |
| 662 | S | 86.8 | Confident | 86.2 | Confident | 56 Ų | 56 | 31.9 Ų | 31.9 | 39% | 0.392 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -77.4 | -50.2 | 176.2 | 46.4 | 0 | 0 | 0 | 0 | 112.3 | V658 K659 E660 R668 N702 | V658-S662 PolarHBondContact O-N 2.86Å; V658-S662 PolarHBondContact O-OG 3.02Å; K659-S662 PolarHBondContact O-N 2.84Å; K659-S662 PolarHBondContact O-OG 3.26Å; E660-S662 VanDerWaalsContact C-N 3.31Å; E660-S662 PolarHBondContact O-N 3.04Å; S662-R668 PolarHBondContact O-NH2 3.07Å; S662-N702 WeakPolarHBondContact CB-ND2 3.49Å |
| 663 | S | 86.2 | Confident | 86.8 | Confident | 70 Ų | 70 | 35.2 Ų | 35.2 | 49% | 0.49 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -71.4 | -41.9 | -173.4 | 61.8 | 0 | 0 | 0 | 0 | 114 | K659 E660 P665 | K659-S663 PolarHBondContact O-N 2.82Å; K659-S663 PolarHBondContact O-OG 3.2Å; E660-S663 WeakPolarHBondContact CA-OG 3.49Å; E660-S663 PolarHBondContact OE2-OG 3.24Å; S663-P665 WeakPolarHBondContact O-CD 3.19Å |
| 664 | A | 85.4 | Confident | 87.2 | Confident | 19 Ų | 19 | 35.1 Ų | 35.1 | 16% | 0.157 | 21% | 0.205 | C | C | . | . | trans | -111.5 | 100.2 | -164 | 0 | 0 | 0 | 0 | 0 | 113.1 | E660 A666 L667 R668 | E660-A664 WeakPolarHBondContact O-CB 3.24Å; E660-A664 PolarHBondContact O-N 3.34Å; E660-A664 WeakPolarHBondContact OE2-CB 3.31Å; A664-A666 VanDerWaalsContact C-N 3.26Å; A664-A666 PolarHBondContact O-N 3.07Å; A664-L667 HydrophobicContact CB-CB 4.18Å; A664-L667 HydrophobicContact CB-CD1 3.91Å; A664-L667 HydrophobicContact CB-CG 4.03Å; A664-L667 PolarHBondContact O-N 3.14Å; A664-R668 WeakPolarHBondContact O-CG 3.38Å; A664-R668 PolarHBondContact O-N 2.78Å | ||
| 665 | P | 82.1 | Confident | 87.5 | Confident | 70 Ų | 70 | 35 Ų | 35 | 46% | 0.455 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -24.7 | -177.7 | 26.1 | -34.7 | 0 | 0 | 0 | 114.2 | S663 K1353 | S663-P665 WeakPolarHBondContact O-CD 3.19Å; P665-K1353 PolarHBondContact O-NZ 3.33Å |
| 666 | A | 81.7 | Confident | 87.9 | Confident | 51 Ų | 51 | 35.1 Ų | 35.1 | 42% | 0.421 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -35.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A664 P669 | A664-A666 VanDerWaalsContact C-N 3.26Å; A664-A666 PolarHBondContact O-N 3.07Å; A666-P669 WeakPolarHBondContact O-CD 3.2Å |
| 667 | L | 87.2 | Confident | 88.1 | Confident | 7 Ų | 7 | 36.4 Ų | 36.4 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -20.6 | -174.9 | -60.6 | -178.2 | 0 | 0 | 0 | 113.7 | C628 W631 E660 A664 P669 I670 I671 | C628-L667 HydrophobicContact CB-CD2 4.4Å; W631-L667 HydrophobicContact CB-CD2 3.63Å; W631-L667 HydrophobicContact CD2-CD1 4Å; W631-L667 HydrophobicContact CG-CD1 3.88Å; W631-L667 HydrophobicContact CG-CD2 3.72Å; W631-L667 HydrophobicContact CG-CG 4.44Å; E660-L667 HydrophobicContact CB-CD1 4.4Å; A664-L667 HydrophobicContact CB-CB 4.18Å; A664-L667 HydrophobicContact CB-CD1 3.91Å; A664-L667 HydrophobicContact CB-CG 4.03Å; A664-L667 PolarHBondContact O-N 3.14Å; L667-P669 VanDerWaalsContact C-N 3.32Å; L667-P669 VanDerWaalsContact O-N 3.1Å; L667-I670 HydrophobicContact CD2-CD1 4.35Å; L667-I670 WeakPolarHBondContact O-CB 3.45Å; L667-I670 PolarHBondContact O-N 3.1Å; L667-I671 HydrophobicContact CB-CD1 3.8Å; L667-I671 HydrophobicContact CB-CG1 4.34Å; L667-I671 PolarHBondContact O-N 3.34Å |
| 668 | R | 91.1 | Very high | 88.1 | Confident | 41 Ų | 41 | 36.6 Ų | 36.6 | 16% | 0.155 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -46.2 | -44.2 | -177.8 | -55.8 | -175.3 | 179.7 | 145.2 | 5.1 | 114.6 | L661 S662 A664 I670 I671 L672 L718 | L661-R668 HydrophobicContact CD1-CB 4.1Å; L661-R668 HydrophobicContact CD1-CG 4.11Å; L661-R668 PolarHBondContact O-NE 3.49Å; L661-R668 VanDerWaalsContact O-NE 3.08Å; S662-R668 PolarHBondContact O-NH2 3.07Å; A664-R668 WeakPolarHBondContact O-CG 3.38Å; A664-R668 PolarHBondContact O-N 2.78Å; R668-I670 VanDerWaalsContact C-N 3.35Å; R668-I670 PolarHBondContact O-N 3.41Å; R668-I671 PolarHBondContact O-N 2.97Å; R668-L672 VanDerWaalsContact O-CB 3.26Å; R668-L672 WeakPolarHBondContact O-CB 3.16Å; R668-L672 WeakPolarHBondContact O-CG 3.24Å; R668-L672 PolarHBondContact O-N 3.41Å; R668-L718 HydrophobicContact CB-CD1 4.3Å |
| 669 | P | 86.9 | Confident | 88 | Confident | 36 Ų | 36 | 35.8 Ų | 35.8 | 23% | 0.234 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.8 | -37.9 | 178 | -24.2 | 36.8 | 0 | 0 | 0 | 114.2 | A666 L667 H673 | A666-P669 WeakPolarHBondContact O-CD 3.2Å; L667-P669 VanDerWaalsContact C-N 3.32Å; L667-P669 VanDerWaalsContact O-N 3.1Å; P669-H673 WeakPolarHBondContact O-CB 3.49Å; P669-H673 PolarHBondContact O-N 3.29Å; P669-H673 VanDerWaalsContact O-N 3.12Å |
| 670 | I | 86.9 | Confident | 88 | Confident | 31 Ų | 31 | 35 Ų | 35 | 16% | 0.159 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.7 | -50.1 | 179.4 | -59.3 | 168.7 | 0 | 0 | 0 | 108 | L667 R668 L672 H673 T674 | L667-I670 HydrophobicContact CD2-CD1 4.35Å; L667-I670 WeakPolarHBondContact O-CB 3.45Å; L667-I670 PolarHBondContact O-N 3.1Å; R668-I670 VanDerWaalsContact C-N 3.35Å; R668-I670 PolarHBondContact O-N 3.41Å; I670-L672 PolarHBondContact O-N 3.34Å; I670-H673 WeakPolarHBondContact O-CB 3.49Å; I670-H673 PolarHBondContact O-N 2.91Å; I670-H673 VanDerWaalsContact O-N 3.09Å; I670-T674 HydrophobicContact CG2-CG2 4.43Å; I670-T674 VanDerWaalsContact O-CG2 3.31Å; I670-T674 WeakPolarHBondContact O-CG2 3.28Å; I670-T674 PolarHBondContact O-N 3.44Å; I670-T674 PolarHBondContact O-OG1 2.92Å |
| 671 | I | 91.3 | Very high | 88 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.6 | -40.9 | -179.9 | -61.1 | 168.8 | 0 | 0 | 0 | 112 | L657 E660 L661 L667 R668 H673 T674 F675 | L657-I671 HydrophobicContact CB-CG2 4.3Å; L657-I671 HydrophobicContact CD2-CG1 4.15Å; L657-I671 HydrophobicContact CD2-CG2 4.3Å; E660-I671 HydrophobicContact CB-CD1 3.65Å; L661-I671 HydrophobicContact CB-CD1 4.47Å; L661-I671 HydrophobicContact CB-CG2 4.19Å; L661-I671 HydrophobicContact CD1-CB 4.46Å; L661-I671 HydrophobicContact CD1-CG2 4.22Å; L667-I671 HydrophobicContact CB-CD1 3.8Å; L667-I671 HydrophobicContact CB-CG1 4.34Å; L667-I671 PolarHBondContact O-N 3.34Å; R668-I671 PolarHBondContact O-N 2.97Å; I671-H673 VanDerWaalsContact C-N 3.3Å; I671-H673 PolarHBondContact O-N 3.12Å; I671-T674 WeakPolarHBondContact CA-OG1 3.36Å; I671-T674 PolarHBondContact O-N 2.98Å; I671-T674 PolarHBondContact O-OG1 3.08Å; I671-F675 HydrophobicContact CG2-CD2 3.66Å; I671-F675 HydrophobicContact CG2-CE2 3.37Å; I671-F675 HydrophobicContact CG2-CZ 4.23Å; I671-F675 VanDerWaalsContact O-CD2 3.25Å; I671-F675 WeakPolarHBondContact O-CD2 3.25Å; I671-F675 PolarHBondContact O-N 2.83Å |
| 672 | L | 91.3 | Very high | 87.9 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.6 | -32.4 | 176.1 | -73 | 170.7 | 0 | 0 | 0 | 112.4 | L661 R668 I670 R676 M703 L718 K721 I722 T725 | L661-L672 HydrophobicContact CD1-CD2 4.27Å; L661-L672 HydrophobicContact CD1-CG 4.13Å; R668-L672 VanDerWaalsContact O-CB 3.26Å; R668-L672 WeakPolarHBondContact O-CB 3.16Å; R668-L672 WeakPolarHBondContact O-CG 3.24Å; R668-L672 PolarHBondContact O-N 3.41Å; I670-L672 PolarHBondContact O-N 3.34Å; L672-R676 WeakPolarHBondContact O-CB 3.48Å; L672-R676 PolarHBondContact O-N 3.36Å; L672-R676 VanDerWaalsContact O-N 3.12Å; L672-M703 HydrophobicContact CD2-CE 3.99Å; L672-M703 HydrophobicContact CD2-CG 4.12Å; L672-M703 HydrophobicContact CD2-SD 3.94Å; L672-L718 HydrophobicContact CD1-CD1 3.5Å; L672-L718 VanDerWaalsContact CD1-CD1 3.5Å; L672-K721 HydrophobicContact CD1-CB 4.13Å; L672-I722 HydrophobicContact CD1-CG1 3.76Å; L672-I722 HydrophobicContact CD2-CG1 4.14Å; L672-T725 HydrophobicContact CD2-CG2 4.41Å; L672-T725 PolarHBondContact O-OG1 2.85Å |
| 673 | H | 90.3 | Very high | 87.6 | Confident | 81 Ų | 81 | 38.3 Ų | 38.3 | 38% | 0.375 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68.6 | -45.3 | 173.8 | 177.2 | 76.7 | 0 | 0 | 0 | 111 | N635 P669 I670 I671 R676 R677 | N635-H673 PolarHBondContact OD1-CD2 3.29Å; N635-H673 VanDerWaalsContact OD1-CD2 3.29Å; P669-H673 WeakPolarHBondContact O-CB 3.49Å; P669-H673 PolarHBondContact O-N 3.29Å; P669-H673 VanDerWaalsContact O-N 3.12Å; I670-H673 WeakPolarHBondContact O-CB 3.49Å; I670-H673 PolarHBondContact O-N 2.91Å; I670-H673 VanDerWaalsContact O-N 3.09Å; I671-H673 VanDerWaalsContact C-N 3.3Å; I671-H673 PolarHBondContact O-N 3.12Å; H673-R676 WeakPolarHBondContact O-CB 3.42Å; H673-R676 PolarHBondContact O-N 3.13Å; H673-R677 WeakPolarHBondContact O-CB 3.34Å; H673-R677 PolarHBondContact O-N 3.23Å |
| 674 | T | 89.9 | Confident | 87.2 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.2 | -46.3 | 178.9 | 59.6 | 0 | 0 | 0 | 0 | 110.8 | L634 V638 I670 I671 R676 R677 L678 | L634-T674 HydrophobicContact CB-CG2 4.32Å; L634-T674 HydrophobicContact CD2-CG2 3.63Å; L634-T674 HydrophobicContact CG-CG2 3.67Å; V638-T674 HydrophobicContact CG2-CG2 4.07Å; I670-T674 HydrophobicContact CG2-CG2 4.43Å; I670-T674 VanDerWaalsContact O-CG2 3.31Å; I670-T674 WeakPolarHBondContact O-CG2 3.28Å; I670-T674 PolarHBondContact O-N 3.44Å; I670-T674 PolarHBondContact O-OG1 2.92Å; I671-T674 WeakPolarHBondContact CA-OG1 3.36Å; I671-T674 PolarHBondContact O-N 2.98Å; I671-T674 PolarHBondContact O-OG1 3.08Å; T674-R676 VanDerWaalsContact C-N 3.32Å; T674-R676 PolarHBondContact O-N 2.84Å; T674-R677 PolarHBondContact O-N 3.45Å; T674-L678 WeakPolarHBondContact O-CB 3.43Å; T674-L678 VanDerWaalsContact O-CG 3.32Å; T674-L678 WeakPolarHBondContact O-CG 2.76Å; T674-L678 PolarHBondContact O-N 3.3Å |
| 675 | F | 91.5 | Very high | 87 | Confident | 10 Ų | 10 | 40.7 Ų | 40.7 | 4% | 0.044 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.3 | -42.1 | 173.6 | -78.2 | -46.6 | 0 | 0 | 0 | 113 | L657 V658 L661 I671 R677 A679 A699 M703 T725 | L657-F675 HydrophobicContact CB-CE1 4.38Å; L657-F675 HydrophobicContact CB-CE2 4.4Å; L657-F675 HydrophobicContact CB-CZ 3.76Å; L657-F675 HydrophobicContact CD1-CE1 4.13Å; L657-F675 HydrophobicContact CD1-CZ 4.3Å; V658-F675 HydrophobicContact CG2-CZ 4.04Å; L661-F675 HydrophobicContact CD2-CE2 4.25Å; I671-F675 HydrophobicContact CG2-CD2 3.66Å; I671-F675 HydrophobicContact CG2-CE2 3.37Å; I671-F675 HydrophobicContact CG2-CZ 4.23Å; I671-F675 VanDerWaalsContact O-CD2 3.25Å; I671-F675 WeakPolarHBondContact O-CD2 3.25Å; I671-F675 PolarHBondContact O-N 2.83Å; F675-R677 VanDerWaalsContact C-N 3.33Å; F675-R677 PolarHBondContact O-N 3.07Å; F675-A679 VanDerWaalsContact O-CB 3.31Å; F675-A679 WeakPolarHBondContact O-CB 3.21Å; F675-A679 PolarHBondContact O-N 2.89Å; F675-A699 HydrophobicContact CZ-CB 4.33Å; F675-M703 HydrophobicContact CB-CE 4.08Å; F675-M703 HydrophobicContact CD2-CE 3.32Å; F675-M703 HydrophobicContact CE2-CE 3.89Å; F675-M703 HydrophobicContact CG-CE 3.86Å; F675-T725 HydrophobicContact CB-CG2 3.89Å |
| 676 | R | 91.9 | Very high | 87 | Confident | 55 Ų | 55 | 43.2 Ų | 43.2 | 21% | 0.208 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 178.4 | -168.9 | -178.3 | -52.8 | 143.4 | 9.3 | 111.5 | L672 H673 T674 K680 K721 T725 Y728 | L672-R676 WeakPolarHBondContact O-CB 3.48Å; L672-R676 PolarHBondContact O-N 3.36Å; L672-R676 VanDerWaalsContact O-N 3.12Å; H673-R676 WeakPolarHBondContact O-CB 3.42Å; H673-R676 PolarHBondContact O-N 3.13Å; T674-R676 VanDerWaalsContact C-N 3.32Å; T674-R676 PolarHBondContact O-N 2.84Å; R676-K680 PolarHBondContact O-N 3.11Å; R676-K721 PolarHBondContact NH2-O 3.29Å; R676-T725 HydrophobicContact CB-CG2 4.19Å; R676-T725 PolarHBondContact NE-OG1 3.24Å; R676-T725 PolarHBondContact NH2-OG1 3.04Å; R676-Y728 HydrophobicContact CG-CD2 3.5Å; R676-Y728 HydrophobicContact CG-CE2 4.16Å; R676-Y728 HydrophobicContact CG-CG 4.2Å |
| 677 | R | 89.9 | Confident | 87 | Confident | 73 Ų | 73 | 45.1 Ų | 45.1 | 28% | 0.275 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -71.6 | -41.5 | -178.2 | -173.7 | 63.5 | 176.6 | 158.8 | -8.8 | 111.2 | V638 H639 H673 T674 F675 K680 L681 | V638-R677 HydrophobicContact CB-CB 4.39Å; V638-R677 HydrophobicContact CB-CG 4.06Å; V638-R677 HydrophobicContact CG1-CB 3.69Å; V638-R677 HydrophobicContact CG1-CG 3.54Å; V638-R677 WeakPolarHBondContact O-CG 3.27Å; V638-R677 PolarHBondContact O-NE 3.22Å; H639-R677 PolarHBondContact O-NH2 3.48Å; H673-R677 WeakPolarHBondContact O-CB 3.34Å; H673-R677 PolarHBondContact O-N 3.23Å; T674-R677 PolarHBondContact O-N 3.45Å; F675-R677 VanDerWaalsContact C-N 3.33Å; F675-R677 PolarHBondContact O-N 3.07Å; R677-K680 PolarHBondContact O-N 2.97Å; R677-L681 HydrophobicContact CG-CD1 4.1Å; R677-L681 VanDerWaalsContact O-CG 3.3Å; R677-L681 WeakPolarHBondContact O-CG 3.38Å; R677-L681 PolarHBondContact O-N 3.16Å |
| 678 | L | 87.9 | Confident | 86.9 | Confident | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.3 | -46.4 | 171.7 | -73.3 | 172.5 | 0 | 0 | 0 | 111.7 | V638 P642 W645 L648 T674 K680 L681 A682 M692 | V638-L678 HydrophobicContact CG1-CD2 3.68Å; V638-L678 HydrophobicContact CG1-CG 3.66Å; P642-L678 HydrophobicContact CG-CD2 4.32Å; W645-L678 HydrophobicContact CH2-CD2 4.12Å; W645-L678 HydrophobicContact CZ3-CD2 3.93Å; L648-L678 HydrophobicContact CD1-CD1 3.88Å; L648-L678 HydrophobicContact CD1-CD2 3.94Å; L648-L678 HydrophobicContact CD2-CD1 4.14Å; T674-L678 WeakPolarHBondContact O-CB 3.43Å; T674-L678 VanDerWaalsContact O-CG 3.32Å; T674-L678 WeakPolarHBondContact O-CG 2.76Å; T674-L678 PolarHBondContact O-N 3.3Å; L678-K680 VanDerWaalsContact C-N 3.32Å; L678-K680 PolarHBondContact O-N 3.21Å; L678-L681 PolarHBondContact O-N 3.02Å; L678-L681 VanDerWaalsContact O-N 3.14Å; L678-A682 WeakPolarHBondContact O-CB 3.3Å; L678-A682 PolarHBondContact O-N 3.41Å; L678-M692 HydrophobicContact CB-CE 3.84Å; L678-M692 HydrophobicContact CB-SD 4.1Å |
| 679 | A | 86.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.9 | -45.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | F675 L681 A682 M692 Y729 I732 | F675-A679 VanDerWaalsContact O-CB 3.31Å; F675-A679 WeakPolarHBondContact O-CB 3.21Å; F675-A679 PolarHBondContact O-N 2.89Å; A679-L681 VanDerWaalsContact C-N 3.31Å; A679-L681 PolarHBondContact O-N 2.96Å; A679-A682 PolarHBondContact O-N 3.32Å; A679-M692 HydrophobicContact CB-CE 4.24Å; A679-Y729 HydrophobicContact CB-CD2 4.14Å; A679-Y729 HydrophobicContact CB-CG 4.46Å; A679-I732 HydrophobicContact CB-CD1 3.9Å; A679-I732 WeakPolarHBondContact O-CD1 3.32Å |
| 680 | K | 88.3 | Confident | 86.5 | Confident | 113 Ų | 113 | 46.7 Ų | 46.7 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.2 | -37.7 | 176.1 | -175 | 174.4 | 177.8 | 179.7 | 0 | 113.1 | R676 R677 L678 | R676-K680 PolarHBondContact O-N 3.11Å; R677-K680 PolarHBondContact O-N 2.97Å; L678-K680 VanDerWaalsContact C-N 3.32Å; L678-K680 PolarHBondContact O-N 3.21Å |
| 681 | L | 86.5 | Confident | 86.4 | Confident | 34 Ų | 34 | 46.7 Ų | 46.7 | 18% | 0.178 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -80.6 | -21.4 | -179.2 | -69.3 | 169.4 | 0 | 0 | 0 | 113.5 | V638 H640 W645 R677 L678 A679 V683 | V638-L681 HydrophobicContact CG1-CD1 4.25Å; V638-L681 WeakPolarHBondContact O-CD1 3.31Å; H640-L681 WeakPolarHBondContact O-CD1 3.47Å; W645-L681 HydrophobicContact CH2-CB 4.42Å; R677-L681 HydrophobicContact CG-CD1 4.1Å; R677-L681 VanDerWaalsContact O-CG 3.3Å; R677-L681 WeakPolarHBondContact O-CG 3.38Å; R677-L681 PolarHBondContact O-N 3.16Å; L678-L681 PolarHBondContact O-N 3.02Å; L678-L681 VanDerWaalsContact O-N 3.14Å; A679-L681 VanDerWaalsContact C-N 3.31Å; A679-L681 PolarHBondContact O-N 2.96Å; L681-V683 VanDerWaalsContact C-N 3.3Å |
| 682 | A | 85.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -74.5 | -20.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W645 L678 A679 G684 N685 A688 I689 M692 I732 | W645-A682 HydrophobicContact CH2-CB 4.06Å; W645-A682 HydrophobicContact CZ3-CB 4.34Å; L678-A682 WeakPolarHBondContact O-CB 3.3Å; L678-A682 PolarHBondContact O-N 3.41Å; A679-A682 PolarHBondContact O-N 3.32Å; A682-G684 PolarHBondContact O-N 3.36Å; A682-N685 PolarHBondContact O-N 3.11Å; A682-N685 VanDerWaalsContact O-N 3.11Å; A682-A688 HydrophobicContact CB-CB 3.96Å; A682-I689 VanDerWaalsContact O-CG1 3.3Å; A682-I689 WeakPolarHBondContact O-CG1 3.43Å; A682-M692 HydrophobicContact CB-CG 4.04Å; A682-I732 HydrophobicContact CB-CD1 4.4Å |
| 683 | V | 81.4 | Confident | 85.9 | Confident | 105 Ų | 105 | 52.5 Ų | 52.5 | 64% | 0.636 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 109.6 | 177 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | L681 I732 | L681-V683 VanDerWaalsContact C-N 3.3Å; V683-I732 HydrophobicContact CG2-CD1 4.18Å; V683-I732 HydrophobicContact CG2-CG1 4.33Å |
| 684 | G | 77.3 | Confident | 85.6 | Confident | 67 Ų | 67 | 50 Ų | 50 | 69% | 0.691 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.7 | -16.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A682 | A682-G684 PolarHBondContact O-N 3.36Š|
| 685 | N | 80.6 | Confident | 85.2 | Confident | 72 Ų | 72 | 50.9 Ų | 50.9 | 39% | 0.385 | 29% | 0.288 | S | S | . | . | trans | -113.6 | 105.2 | -178.6 | -73.4 | -18.2 | 0 | 0 | 0 | 111.3 | A682 A688 I689 | A682-N685 PolarHBondContact O-N 3.11Å; A682-N685 VanDerWaalsContact O-N 3.11Å; N685-A688 HydrophobicContact CB-CB 3.73Å; N685-A688 WeakPolarHBondContact O-CB 3.38Å; N685-A688 PolarHBondContact O-N 3.35Å; N685-A688 VanDerWaalsContact O-N 3.09Å; N685-I689 WeakPolarHBondContact O-CG1 3.1Å; N685-I689 PolarHBondContact O-N 3.48Å | ||
| 686 | D | 83.4 | Confident | 84.9 | Confident | 124 Ų | 124 | 50.5 Ų | 50.5 | 66% | 0.663 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -54.3 | -44 | -179.9 | -68.7 | -28.7 | 0 | 0 | 0 | 116 | A688 I689 T690 | D686-A688 VanDerWaalsContact C-N 3.31Å; D686-A688 PolarHBondContact O-N 2.89Å; D686-I689 PolarHBondContact O-N 3.38Å; D686-T690 PolarHBondContact O-N 3.1Å; D686-T690 PolarHBondContact O-OG1 3.18Å |
| 687 | P | 82 | Confident | 84.5 | Confident | 91 Ų | 91 | 55 Ų | 55 | 59% | 0.591 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.1 | -38.6 | 175.9 | 23.7 | -33.1 | 0 | 0 | 0 | 111.6 | T690 V691 | P687-T690 PolarHBondContact O-N 3.07Å; P687-V691 WeakPolarHBondContact O-CG2 3.48Å; P687-V691 PolarHBondContact O-N 3.48Å; P687-V691 VanDerWaalsContact O-N 3.1Å |
| 688 | A | 84.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.5 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | W645 A682 N685 D686 T690 V691 M692 | W645-A688 HydrophobicContact CD2-CB 3.41Å; W645-A688 VanDerWaalsContact CD2-CB 3.41Å; W645-A688 HydrophobicContact CE3-CB 3.69Å; W645-A688 HydrophobicContact CG-CB 3.99Å; W645-A688 HydrophobicContact CH2-CB 3.84Å; W645-A688 HydrophobicContact CZ2-CB 3.56Å; W645-A688 HydrophobicContact CZ3-CB 3.9Å; A682-A688 HydrophobicContact CB-CB 3.96Å; N685-A688 HydrophobicContact CB-CB 3.73Å; N685-A688 WeakPolarHBondContact O-CB 3.38Å; N685-A688 PolarHBondContact O-N 3.35Å; N685-A688 VanDerWaalsContact O-N 3.09Å; D686-A688 VanDerWaalsContact C-N 3.31Å; D686-A688 PolarHBondContact O-N 2.89Å; A688-T690 VanDerWaalsContact C-N 3.3Å; A688-T690 PolarHBondContact O-N 3.35Å; A688-V691 PolarHBondContact O-N 3.4Å; A688-M692 WeakPolarHBondContact O-CB 3.45Å; A688-M692 VanDerWaalsContact O-CG 3.25Å; A688-M692 WeakPolarHBondContact O-CG 3.46Å; A688-M692 PolarHBondContact O-N 2.81Å |
| 689 | I | 84.4 | Confident | 84.3 | Confident | 24 Ų | 24 | 55.1 Ų | 55.1 | 12% | 0.123 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.5 | -43 | 175.7 | -69.2 | 169.7 | 0 | 0 | 0 | 110.5 | A682 N685 D686 M692 R693 I732 | A682-I689 VanDerWaalsContact O-CG1 3.3Å; A682-I689 WeakPolarHBondContact O-CG1 3.43Å; N685-I689 WeakPolarHBondContact O-CG1 3.1Å; N685-I689 PolarHBondContact O-N 3.48Å; D686-I689 PolarHBondContact O-N 3.38Å; I689-M692 PolarHBondContact O-N 2.8Å; I689-R693 HydrophobicContact CG2-CG 4.32Å; I689-R693 VanDerWaalsContact CG2-NE 3.32Å; I689-R693 WeakPolarHBondContact O-CB 3.35Å; I689-R693 VanDerWaalsContact O-CG 3.23Å; I689-R693 WeakPolarHBondContact O-CG 3.24Å; I689-R693 PolarHBondContact O-N 3.35Å; I689-I732 HydrophobicContact CB-CG2 4.26Å; I689-I732 HydrophobicContact CG1-CG2 4.08Å; I689-I732 HydrophobicContact CG2-CG2 3.81Å |
| 690 | T | 84.7 | Confident | 84.4 | Confident | 93 Ų | 93 | 55.2 Ų | 55.2 | 57% | 0.571 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.5 | -46.2 | -179.7 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | D686 P687 A688 R693 G694 | D686-T690 PolarHBondContact O-N 3.1Å; D686-T690 PolarHBondContact O-OG1 3.18Å; P687-T690 PolarHBondContact O-N 3.07Å; A688-T690 VanDerWaalsContact C-N 3.3Å; A688-T690 PolarHBondContact O-N 3.35Å; T690-R693 PolarHBondContact O-N 2.84Å; T690-G694 PolarHBondContact O-N 3.43Å |
| 691 | V | 85.3 | Confident | 84.3 | Confident | 30 Ų | 30 | 52.7 Ų | 52.7 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 176.5 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | W645 L648 P687 A688 R693 G694 G695 | W645-V691 HydrophobicContact CB-CG2 4.3Å; L648-V691 HydrophobicContact CB-CG1 3.64Å; P687-V691 WeakPolarHBondContact O-CG2 3.48Å; P687-V691 PolarHBondContact O-N 3.48Å; P687-V691 VanDerWaalsContact O-N 3.1Å; A688-V691 PolarHBondContact O-N 3.4Å; V691-R693 VanDerWaalsContact C-N 3.31Å; V691-R693 PolarHBondContact O-N 3.3Å; V691-G694 PolarHBondContact O-N 3.43Å; V691-G694 VanDerWaalsContact O-N 3.1Å; V691-G695 PolarHBondContact O-N 3.11Å |
| 692 | M | 85.4 | Confident | 84.3 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 3% | 0.034 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 178 | -70.7 | -62.1 | -73 | 0 | 0 | 112 | W645 L678 A679 A682 A688 I689 A696 Y729 | W645-M692 HydrophobicContact CZ3-CG 4.12Å; W645-M692 HydrophobicContact CZ3-SD 4.33Å; L678-M692 HydrophobicContact CB-CE 3.84Å; L678-M692 HydrophobicContact CB-SD 4.1Å; A679-M692 HydrophobicContact CB-CE 4.24Å; A682-M692 HydrophobicContact CB-CG 4.04Å; A688-M692 WeakPolarHBondContact O-CB 3.45Å; A688-M692 VanDerWaalsContact O-CG 3.25Å; A688-M692 WeakPolarHBondContact O-CG 3.46Å; A688-M692 PolarHBondContact O-N 2.81Å; I689-M692 PolarHBondContact O-N 2.8Å; M692-A696 WeakPolarHBondContact O-CB 3.48Å; M692-A696 PolarHBondContact O-N 3.17Å; M692-Y729 HydrophobicContact CE-CD2 4.28Å; M692-Y729 HydrophobicContact CE-CE2 3.42Å; M692-Y729 VanDerWaalsContact CE-CE2 3.42Å; M692-Y729 WeakPolarHBondContact CE-OH 3.4Å; M692-Y729 PolarHBondContact O-OH 3.12Å |
| 693 | R | 85.6 | Confident | 84.5 | Confident | 117 Ų | 117 | 52.1 Ų | 52.1 | 44% | 0.442 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 172.4 | -76.6 | 174 | -176.4 | 168.9 | 6.5 | 112.2 | I689 T690 V691 A696 I732 | I689-R693 HydrophobicContact CG2-CG 4.32Å; I689-R693 VanDerWaalsContact CG2-NE 3.32Å; I689-R693 WeakPolarHBondContact O-CB 3.35Å; I689-R693 VanDerWaalsContact O-CG 3.23Å; I689-R693 WeakPolarHBondContact O-CG 3.24Å; I689-R693 PolarHBondContact O-N 3.35Å; T690-R693 PolarHBondContact O-N 2.84Å; V691-R693 VanDerWaalsContact C-N 3.31Å; V691-R693 PolarHBondContact O-N 3.3Å; R693-A696 WeakPolarHBondContact O-CB 3.5Å; R693-A696 PolarHBondContact O-N 3.44Å; R693-I732 PolarHBondContact NE-O 3.08Å; R693-I732 PolarHBondContact NH2-O 2.77Å |
| 694 | G | 83.9 | Confident | 84.7 | Confident | 28 Ų | 28 | 47.4 Ų | 47.4 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.5 | -52.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T690 V691 A696 K697 | T690-G694 PolarHBondContact O-N 3.43Å; V691-G694 PolarHBondContact O-N 3.43Å; V691-G694 VanDerWaalsContact O-N 3.1Å; G694-A696 VanDerWaalsContact C-N 3.31Å; G694-A696 PolarHBondContact O-N 3.23Å; G694-K697 PolarHBondContact O-N 3.32Å |
| 695 | G | 82.1 | Confident | 85.1 | Confident | 21 Ų | 21 | 46.9 Ų | 46.9 | 22% | 0.216 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.1 | -26.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V691 K697 T698 A699 | V691-G695 PolarHBondContact O-N 3.11Å; G695-K697 PolarHBondContact O-N 3.28Å; G695-K697 VanDerWaalsContact O-N 3.16Å; G695-T698 PolarHBondContact O-N 3.2Å; G695-T698 VanDerWaalsContact O-N 3.15Å; G695-T698 PolarHBondContact O-OG1 3.23Å; G695-T698 VanDerWaalsContact O-OG1 3.12Å; G695-A699 WeakPolarHBondContact O-CB 3.36Å; G695-A699 PolarHBondContact O-N 3.01Å |
| 696 | A | 84.5 | Confident | 85.2 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.8 | -31.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | M692 R693 G694 T698 A699 I700 Y729 L733 | M692-A696 WeakPolarHBondContact O-CB 3.48Å; M692-A696 PolarHBondContact O-N 3.17Å; R693-A696 WeakPolarHBondContact O-CB 3.5Å; R693-A696 PolarHBondContact O-N 3.44Å; G694-A696 VanDerWaalsContact C-N 3.31Å; G694-A696 PolarHBondContact O-N 3.23Å; A696-T698 PolarHBondContact O-N 2.63Å; A696-A699 PolarHBondContact O-N 3.1Å; A696-I700 HydrophobicContact CB-CD1 3.93Å; A696-I700 HydrophobicContact CB-CG1 4.3Å; A696-I700 WeakPolarHBondContact O-CB 3.37Å; A696-I700 PolarHBondContact O-N 3.3Å; A696-Y729 HydrophobicContact CB-CD1 4.44Å; A696-Y729 HydrophobicContact CB-CE1 3.58Å; A696-L733 HydrophobicContact CB-CD2 3.46Å; A696-L733 VanDerWaalsContact CB-CD2 3.46Å |
| 697 | K | 84.2 | Confident | 85.2 | Confident | 151 Ų | 151 | 38.3 Ų | 38.3 | 66% | 0.657 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -57.9 | -29.5 | -179.8 | -67.5 | -177.8 | 180 | 178.2 | 0 | 112.6 | G694 G695 P701 | G694-K697 PolarHBondContact O-N 3.32Å; G695-K697 PolarHBondContact O-N 3.28Å; G695-K697 VanDerWaalsContact O-N 3.16Å; K697-P701 WeakPolarHBondContact O-CD 3.47Å; K697-P701 WeakPolarHBondContact O-CG 3.49Å |
| 698 | T | 85.8 | Confident | 85.3 | Confident | 78 Ų | 78 | 36.5 Ų | 36.5 | 48% | 0.479 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -106.2 | -37.9 | 178.2 | 58.7 | 0 | 0 | 0 | 0 | 111.9 | G695 A696 N702 | G695-T698 PolarHBondContact O-N 3.2Å; G695-T698 VanDerWaalsContact O-N 3.15Å; G695-T698 PolarHBondContact O-OG1 3.23Å; G695-T698 VanDerWaalsContact O-OG1 3.12Å; A696-T698 PolarHBondContact O-N 2.63Å; T698-N702 WeakPolarHBondContact O-CB 3.38Å; T698-N702 PolarHBondContact O-N 3.11Å |
| 699 | A | 87.6 | Confident | 85.1 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.1 | -44.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V658 F675 G695 A696 N702 M703 | V658-A699 HydrophobicContact CG2-CB 3.88Å; F675-A699 HydrophobicContact CZ-CB 4.33Å; G695-A699 WeakPolarHBondContact O-CB 3.36Å; G695-A699 PolarHBondContact O-N 3.01Å; A696-A699 PolarHBondContact O-N 3.1Å; A699-N702 PolarHBondContact O-N 3.22Å; A699-M703 HydrophobicContact CB-CE 4.45Å; A699-M703 WeakPolarHBondContact O-CG 3.33Å; A699-M703 PolarHBondContact O-N 3.43Å |
| 700 | I | 88.2 | Confident | 84.8 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.1 | -48.2 | -175.6 | -65.2 | -179.6 | 0 | 0 | 0 | 111.8 | A696 N702 M703 L704 L726 Y729 L733 L741 | A696-I700 HydrophobicContact CB-CD1 3.93Å; A696-I700 HydrophobicContact CB-CG1 4.3Å; A696-I700 WeakPolarHBondContact O-CB 3.37Å; A696-I700 PolarHBondContact O-N 3.3Å; I700-N702 PolarHBondContact O-N 3.05Å; I700-M703 PolarHBondContact O-N 3.01Å; I700-M703 VanDerWaalsContact O-N 3.17Å; I700-L704 HydrophobicContact CG2-CD1 3.67Å; I700-L704 HydrophobicContact CG2-CG 4.33Å; I700-L704 WeakPolarHBondContact O-CG 3.44Å; I700-L704 PolarHBondContact O-N 3.29Å; I700-L726 HydrophobicContact CG1-CD2 4.41Å; I700-L726 HydrophobicContact CG2-CD2 4.21Å; I700-Y729 HydrophobicContact CD1-CD1 4.01Å; I700-Y729 HydrophobicContact CD1-CE1 4.4Å; I700-Y729 HydrophobicContact CD1-CG 4.47Å; I700-L733 HydrophobicContact CD1-CD1 3.24Å; I700-L733 HydrophobicContact CD1-CD2 3.76Å; I700-L733 HydrophobicContact CD1-CG 4.06Å; I700-L741 HydrophobicContact CG2-CD2 3.86Å |
| 701 | P | 86 | Confident | 83.8 | Confident | 60 Ų | 60 | 42.7 Ų | 42.7 | 39% | 0.39 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57 | -37.1 | 174.2 | -27.7 | 37.7 | 0 | 0 | 0 | 113 | K697 L704 S705 | K697-P701 WeakPolarHBondContact O-CD 3.47Å; K697-P701 WeakPolarHBondContact O-CG 3.49Å; P701-L704 PolarHBondContact O-N 3.41Å; P701-S705 WeakPolarHBondContact O-CB 3.26Å; P701-S705 PolarHBondContact O-N 2.81Å; P701-S705 PolarHBondContact O-OG 3.32Å |
| 702 | N | 87.7 | Confident | 82.6 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 12% | 0.118 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68 | -43.1 | 175.8 | -170.4 | -33.4 | 0 | 0 | 0 | 112 | V658 S662 T698 A699 I700 L704 S705 L706 | V658-N702 HydrophobicContact CG1-CB 4.36Å; V658-N702 PolarHBondContact O-ND2 3.46Å; S662-N702 WeakPolarHBondContact CB-ND2 3.49Å; T698-N702 WeakPolarHBondContact O-CB 3.38Å; T698-N702 PolarHBondContact O-N 3.11Å; A699-N702 PolarHBondContact O-N 3.22Å; I700-N702 PolarHBondContact O-N 3.05Å; N702-L704 PolarHBondContact O-N 2.88Å; N702-S705 WeakPolarHBondContact CA-OG 3.22Å; N702-S705 PolarHBondContact O-N 3.12Å; N702-S705 PolarHBondContact O-OG 3.48Å; N702-L706 WeakPolarHBondContact O-CB 3.4Å; N702-L706 VanDerWaalsContact O-CG 3.27Å; N702-L706 WeakPolarHBondContact O-CG 3.47Å; N702-L706 PolarHBondContact O-N 3.11Å |
| 703 | M | 89.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.8 | -35.5 | 173.8 | -73.1 | -176.2 | -160.6 | 0 | 0 | 112.4 | L661 L672 F675 A699 I700 Y707 I722 T725 L726 | L661-M703 HydrophobicContact CD2-CE 4.3Å; L661-M703 HydrophobicContact CD2-CG 3.86Å; L672-M703 HydrophobicContact CD2-CE 3.99Å; L672-M703 HydrophobicContact CD2-CG 4.12Å; L672-M703 HydrophobicContact CD2-SD 3.94Å; F675-M703 HydrophobicContact CB-CE 4.08Å; F675-M703 HydrophobicContact CD2-CE 3.32Å; F675-M703 HydrophobicContact CE2-CE 3.89Å; F675-M703 HydrophobicContact CG-CE 3.86Å; A699-M703 HydrophobicContact CB-CE 4.45Å; A699-M703 WeakPolarHBondContact O-CG 3.33Å; A699-M703 PolarHBondContact O-N 3.43Å; I700-M703 PolarHBondContact O-N 3.01Å; I700-M703 VanDerWaalsContact O-N 3.17Å; M703-Y707 WeakPolarHBondContact O-CB 3.11Å; M703-Y707 PolarHBondContact O-N 3.28Å; M703-I722 HydrophobicContact CB-CG2 4.15Å; M703-T725 HydrophobicContact CE-CG2 4Å; M703-T725 HydrophobicContact SD-CG2 4.03Å; M703-L726 HydrophobicContact SD-CD2 4.25Å |
| 704 | L | 85.1 | Confident | 80.3 | Confident | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -79.8 | -38 | -179.8 | -66.9 | 170.7 | 0 | 0 | 0 | 112.5 | I700 P701 N702 L706 Y707 E708 L726 L741 I760 | I700-L704 HydrophobicContact CG2-CD1 3.67Å; I700-L704 HydrophobicContact CG2-CG 4.33Å; I700-L704 WeakPolarHBondContact O-CG 3.44Å; I700-L704 PolarHBondContact O-N 3.29Å; P701-L704 PolarHBondContact O-N 3.41Å; N702-L704 PolarHBondContact O-N 2.88Å; L704-L706 VanDerWaalsContact C-N 3.29Å; L704-L706 PolarHBondContact O-N 3.27Å; L704-Y707 CarbonylContact O-C 3.57Å; L704-Y707 WeakPolarHBondContact O-CA 3.49Å; L704-Y707 WeakPolarHBondContact O-CB 3.22Å; L704-Y707 PolarHBondContact O-N 2.91Å; L704-E708 WeakPolarHBondContact O-CG 3.38Å; L704-E708 PolarHBondContact O-N 3.5Å; L704-L726 HydrophobicContact CD2-CD1 3.75Å; L704-L741 HydrophobicContact CD1-CD1 3.3Å; L704-L741 HydrophobicContact CD1-CD2 3.29Å; L704-L741 HydrophobicContact CD1-CG 3.77Å; L704-I760 HydrophobicContact CD2-CD1 4.41Å; L704-I760 HydrophobicContact CD2-CG1 4.27Å; L704-I760 HydrophobicContact CD2-CG2 3.8Å |
| 705 | S | 86 | Confident | 79.6 | Confident | 55 Ų | 55 | 49.4 Ų | 49.4 | 39% | 0.385 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 170.1 | 69.2 | 0 | 0 | 0 | 0 | 111.2 | P701 N702 E708 T709 | P701-S705 WeakPolarHBondContact O-CB 3.26Å; P701-S705 PolarHBondContact O-N 2.81Å; P701-S705 PolarHBondContact O-OG 3.32Å; N702-S705 WeakPolarHBondContact CA-OG 3.22Å; N702-S705 PolarHBondContact O-N 3.12Å; N702-S705 PolarHBondContact O-OG 3.48Å; S705-E708 PolarHBondContact O-N 3.46Å; S705-T709 WeakPolarHBondContact O-CG2 3.31Å; S705-T709 PolarHBondContact O-N 3.11Å; S705-T709 PolarHBondContact O-OG1 2.87Å |
| 706 | L | 83.8 | Confident | 79.4 | Confident | 14 Ų | 14 | 53 Ų | 53 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 168.6 | -72.7 | 175 | 0 | 0 | 0 | 110.7 | L661 N702 L704 E708 T709 L710 I722 | L661-L706 HydrophobicContact CD1-CD1 4.02Å; L661-L706 HydrophobicContact CD2-CD1 4.32Å; L661-L706 HydrophobicContact CG-CD1 3.75Å; N702-L706 WeakPolarHBondContact O-CB 3.4Å; N702-L706 VanDerWaalsContact O-CG 3.27Å; N702-L706 WeakPolarHBondContact O-CG 3.47Å; N702-L706 PolarHBondContact O-N 3.11Å; L704-L706 VanDerWaalsContact C-N 3.29Å; L704-L706 PolarHBondContact O-N 3.27Å; L706-E708 VanDerWaalsContact C-N 3.28Å; L706-E708 PolarHBondContact O-N 3.19Å; L706-T709 PolarHBondContact O-N 3.22Å; L706-T709 PolarHBondContact O-OG1 2.88Å; L706-L710 WeakPolarHBondContact O-CD1 3.43Å; L706-L710 WeakPolarHBondContact O-CG 3.47Å; L706-L710 PolarHBondContact O-N 3.33Å; L706-I722 HydrophobicContact CB-CD1 4.27Å |
| 707 | Y | 83.7 | Confident | 79.3 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.3 | -38.3 | 177 | -162.8 | -83.2 | 0 | 0 | 0 | 113.1 | M703 L704 K719 I722 Q723 V756 E759 I760 | M703-Y707 WeakPolarHBondContact O-CB 3.11Å; M703-Y707 PolarHBondContact O-N 3.28Å; L704-Y707 CarbonylContact O-C 3.57Å; L704-Y707 WeakPolarHBondContact O-CA 3.49Å; L704-Y707 WeakPolarHBondContact O-CB 3.22Å; L704-Y707 PolarHBondContact O-N 2.91Å; Y707-K719 HydrophobicContact CD2-CB 4.25Å; Y707-K719 HydrophobicContact CD2-CG 3.99Å; Y707-K719 HydrophobicContact CE1-CD 4.36Å; Y707-K719 HydrophobicContact CE2-CB 3.65Å; Y707-K719 HydrophobicContact CE2-CD 4.06Å; Y707-K719 HydrophobicContact CE2-CG 3.69Å; Y707-K719 VanDerWaalsContact O-CE 3.29Å; Y707-K719 WeakPolarHBondContact O-CE 3.38Å; Y707-I722 HydrophobicContact CD2-CB 4.27Å; Y707-I722 HydrophobicContact CD2-CG2 4.02Å; Y707-Q723 HydrophobicContact CE2-CG 3.92Å; Y707-Q723 PolarHBondContact OH-NE2 3.37Å; Y707-V756 HydrophobicContact CD1-CG1 3.92Å; Y707-V756 HydrophobicContact CE1-CG1 4.01Å; Y707-E759 HydrophobicContact CE1-CB 4.14Å; Y707-E759 PolarHBondContact OH-OE2 2.96Å; Y707-I760 HydrophobicContact CD1-CD1 3.95Å; Y707-I760 HydrophobicContact CD1-CG1 3.6Å; Y707-I760 HydrophobicContact CE1-CG1 4.01Å; Y707-I760 HydrophobicContact CG-CG1 4.36Å |
| 708 | E | 84 | Confident | 79.4 | Confident | 53 Ų | 53 | 49.9 Ų | 49.9 | 25% | 0.248 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -49.1 | 175.6 | -72.8 | 175.9 | -154 | 0 | 0 | 111.2 | L704 S705 L706 L710 K748 Y757 I760 | L704-E708 WeakPolarHBondContact O-CG 3.38Å; L704-E708 PolarHBondContact O-N 3.5Å; S705-E708 PolarHBondContact O-N 3.46Å; L706-E708 VanDerWaalsContact C-N 3.28Å; L706-E708 PolarHBondContact O-N 3.19Å; E708-L710 VanDerWaalsContact C-N 3.31Å; E708-L710 PolarHBondContact O-N 3.46Å; E708-K748 IonicContact OE1-NZ 3.98Å; E708-K748 PolarHBondContact OE1-NZ 3.32Å; E708-K748 IonicContact OE2-NZ 3.92Å; E708-K748 PolarHBondContact OE2-NZ 2.94Å; E708-Y757 HydrophobicContact CG-CE1 3.92Å; E708-Y757 WeakPolarHBondContact OE1-CE1 3.3Å; E708-Y757 PolarHBondContact OE2-OH 3.02Å; E708-I760 HydrophobicContact CG-CD1 3.94Å |
| 709 | T | 79.5 | Confident | 79.3 | Confident | 106 Ų | 106 | 47 Ų | 47 | 65% | 0.65 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -71.5 | -14.1 | -175.9 | 55.4 | 0 | 0 | 0 | 0 | 115.9 | S705 L706 D711 | S705-T709 WeakPolarHBondContact O-CG2 3.31Å; S705-T709 PolarHBondContact O-N 3.11Å; S705-T709 PolarHBondContact O-OG1 2.87Å; L706-T709 PolarHBondContact O-N 3.22Å; L706-T709 PolarHBondContact O-OG1 2.88Å; T709-D711 PolarHBondContact O-N 3.01Å |
| 710 | L | 78 | Confident | 79.2 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | trans | -87.7 | 80.7 | -171.1 | -67.9 | 164.5 | 0 | 0 | 0 | 112.4 | L706 E708 Q715 L718 K719 I722 | L706-L710 WeakPolarHBondContact O-CD1 3.43Å; L706-L710 WeakPolarHBondContact O-CG 3.47Å; L706-L710 PolarHBondContact O-N 3.33Å; E708-L710 VanDerWaalsContact C-N 3.31Å; E708-L710 PolarHBondContact O-N 3.46Å; L710-Q715 HydrophobicContact CD2-CB 4.06Å; L710-Q715 VanDerWaalsContact CD2-CD 3.44Å; L710-Q715 HydrophobicContact CD2-CG 4.12Å; L710-L718 HydrophobicContact CD1-CB 4.41Å; L710-L718 HydrophobicContact CD1-CD2 3.77Å; L710-L718 HydrophobicContact CD1-CG 4.01Å; L710-L718 HydrophobicContact CD2-CD2 3.81Å; L710-L718 HydrophobicContact CG-CD2 4.48Å; L710-K719 HydrophobicContact CB-CD 4.48Å; L710-K719 HydrophobicContact CB-CG 4.23Å; L710-K719 HydrophobicContact CD1-CG 4.17Å; L710-K719 WeakPolarHBondContact O-CE 3.4Å; L710-K719 PolarHBondContact O-NZ 3.45Å; L710-I722 HydrophobicContact CD1-CD1 3.89Å | ||
| 711 | D | 63.2 | Low | 79.1 | Confident | 137 Ų | 137 | 56.5 Ų | 56.5 | 73% | 0.733 | 31% | 0.313 | S | S | * | . | trans | -89.1 | -6.2 | -176.2 | -105 | -7.5 | 0 | 0 | 0 | 116.2 | T709 | T709-D711 PolarHBondContact O-N 3.01Š| ||
| 712 | T | 60.6 | Low | 79.2 | Confident | 65 Ų | 65 | 53.6 Ų | 53.6 | 40% | 0.399 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -95.1 | 145.9 | -169.4 | 62 | 0 | 0 | 0 | 0 | 114.7 | T714 Q715 | T712-T714 PolarHBondContact O-N 2.99Å; T712-T714 PolarHBondContact OG1-OG1 3.35Å; T712-Q715 PolarHBondContact O-N 3.45Å; T712-Q715 VanDerWaalsContact OG1-CG 3.23Å; T712-Q715 WeakPolarHBondContact OG1-CG 3.3Å; T712-Q715 PolarHBondContact OG1-OE1 3.23Å; T712-Q715 VanDerWaalsContact OG1-OE1 3.05Å |
| 713 | V | 62.3 | Low | 79.1 | Confident | 118 Ų | 118 | 55.7 Ų | 55.7 | 72% | 0.715 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -58.1 | -32.9 | 177.6 | 178.7 | 0 | 0 | 0 | 0 | 112.3 | Q715 H716 | V713-Q715 PolarHBondContact O-N 2.79Å; V713-H716 PolarHBondContact O-CD2 3.08Å; V713-H716 PolarHBondContact O-N 2.96Å |
| 714 | T | 60.6 | Low | 78.9 | Confident | 83 Ų | 83 | 57.3 Ų | 57.3 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -65.2 | -26.4 | 178.5 | 49.8 | 0 | 0 | 0 | 0 | 112.4 | T712 L1354 | T712-T714 PolarHBondContact O-N 2.99Å; T712-T714 PolarHBondContact OG1-OG1 3.35Å; T714-L1354 HydrophobicContact CG2-CD2 4.36Å |
| 715 | Q | 69.6 | Low | 79.2 | Confident | 56 Ų | 56 | 57 Ų | 57 | 26% | 0.262 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -96.1 | 5.8 | -174 | -67.9 | 171.9 | -11 | 0 | 0 | 114.2 | L710 T712 V713 S717 L718 K719 | L710-Q715 HydrophobicContact CD2-CB 4.06Å; L710-Q715 VanDerWaalsContact CD2-CD 3.44Å; L710-Q715 HydrophobicContact CD2-CG 4.12Å; T712-Q715 PolarHBondContact O-N 3.45Å; T712-Q715 VanDerWaalsContact OG1-CG 3.23Å; T712-Q715 WeakPolarHBondContact OG1-CG 3.3Å; T712-Q715 PolarHBondContact OG1-OE1 3.23Å; T712-Q715 VanDerWaalsContact OG1-OE1 3.05Å; V713-Q715 PolarHBondContact O-N 2.79Å; Q715-S717 PolarHBondContact O-N 3.06Å; Q715-S717 VanDerWaalsContact O-N 3.14Å; Q715-L718 WeakPolarHBondContact O-CB 3.47Å; Q715-L718 PolarHBondContact O-N 3.42Å; Q715-K719 PolarHBondContact O-N 2.96Å; Q715-K719 VanDerWaalsContact O-N 3.11Å |
| 716 | H | 78.3 | Confident | 79.3 | Confident | 98 Ų | 98 | 54.5 Ų | 54.5 | 45% | 0.454 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -55.6 | -32.1 | 173.9 | -73.5 | -48.2 | 0 | 0 | 0 | 113.1 | V713 L718 K719 Q720 | V713-H716 PolarHBondContact O-CD2 3.08Å; V713-H716 PolarHBondContact O-N 2.96Å; H716-L718 VanDerWaalsContact C-N 3.3Å; H716-L718 PolarHBondContact O-N 3.36Å; H716-K719 PolarHBondContact O-N 3.45Å; H716-Q720 WeakPolarHBondContact O-CG 3.48Å; H716-Q720 PolarHBondContact O-N 3.37Å |
| 717 | S | 82.1 | Confident | 79.3 | Confident | 67 Ų | 67 | 56 Ų | 56 | 47% | 0.469 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.1 | -35.3 | 175.7 | 66.1 | 0 | 0 | 0 | 0 | 112.4 | Q715 K721 | Q715-S717 PolarHBondContact O-N 3.06Å; Q715-S717 VanDerWaalsContact O-N 3.14Å; S717-K721 VanDerWaalsContact O-CG 3.32Å; S717-K721 WeakPolarHBondContact O-CG 3.33Å; S717-K721 PolarHBondContact O-N 3.3Å; S717-K721 VanDerWaalsContact O-N 3.1Å |
| 718 | L | 85.1 | Confident | 79.3 | Confident | 19 Ų | 19 | 61.1 Ų | 61.1 | 10% | 0.099 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -74.4 | -43.1 | 176.6 | -173.5 | 61.4 | 0 | 0 | 0 | 110.8 | R668 L672 L710 Q715 H716 Q720 K721 I722 | R668-L718 HydrophobicContact CB-CD1 4.3Å; L672-L718 HydrophobicContact CD1-CD1 3.5Å; L672-L718 VanDerWaalsContact CD1-CD1 3.5Å; L710-L718 HydrophobicContact CD1-CB 4.41Å; L710-L718 HydrophobicContact CD1-CD2 3.77Å; L710-L718 HydrophobicContact CD1-CG 4.01Å; L710-L718 HydrophobicContact CD2-CD2 3.81Å; L710-L718 HydrophobicContact CG-CD2 4.48Å; Q715-L718 WeakPolarHBondContact O-CB 3.47Å; Q715-L718 PolarHBondContact O-N 3.42Å; H716-L718 VanDerWaalsContact C-N 3.3Å; H716-L718 PolarHBondContact O-N 3.36Å; L718-Q720 VanDerWaalsContact C-N 3.28Å; L718-Q720 PolarHBondContact O-N 2.86Å; L718-K721 WeakPolarHBondContact O-CB 3.47Å; L718-K721 PolarHBondContact O-N 2.92Å; L718-I722 HydrophobicContact CG-CD1 4.19Å; L718-I722 WeakPolarHBondContact O-CG1 3.39Å; L718-I722 PolarHBondContact O-N 3.07Å |
| 719 | K | 84.9 | Confident | 79.5 | Confident | 17 Ų | 17 | 58.7 Ų | 58.7 | 7% | 0.074 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -54.6 | -44 | 172.5 | -78.3 | -170.6 | 160.6 | 172.3 | 0 | 111.8 | Y707 L710 Q715 H716 I722 Q723 | Y707-K719 HydrophobicContact CD2-CB 4.25Å; Y707-K719 HydrophobicContact CD2-CG 3.99Å; Y707-K719 HydrophobicContact CE1-CD 4.36Å; Y707-K719 HydrophobicContact CE2-CB 3.65Å; Y707-K719 HydrophobicContact CE2-CD 4.06Å; Y707-K719 HydrophobicContact CE2-CG 3.69Å; Y707-K719 VanDerWaalsContact O-CE 3.29Å; Y707-K719 WeakPolarHBondContact O-CE 3.38Å; L710-K719 HydrophobicContact CB-CD 4.48Å; L710-K719 HydrophobicContact CB-CG 4.23Å; L710-K719 HydrophobicContact CD1-CG 4.17Å; L710-K719 WeakPolarHBondContact O-CE 3.4Å; L710-K719 PolarHBondContact O-NZ 3.45Å; Q715-K719 PolarHBondContact O-N 2.96Å; Q715-K719 VanDerWaalsContact O-N 3.11Å; H716-K719 PolarHBondContact O-N 3.45Å; K719-I722 PolarHBondContact O-N 3.35Å; K719-Q723 WeakPolarHBondContact O-CB 3.42Å; K719-Q723 VanDerWaalsContact O-CG 3.28Å; K719-Q723 WeakPolarHBondContact O-CG 3.39Å; K719-Q723 PolarHBondContact O-N 3.26Å |
| 720 | Q | 84.8 | Confident | 79.7 | Confident | 123 Ų | 123 | 53.7 Ų | 53.7 | 58% | 0.575 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.3 | -39.4 | 175 | -74 | 176.1 | -2.4 | 0 | 0 | 112.8 | H716 L718 Q723 A724 | H716-Q720 WeakPolarHBondContact O-CG 3.48Å; H716-Q720 PolarHBondContact O-N 3.37Å; L718-Q720 VanDerWaalsContact C-N 3.28Å; L718-Q720 PolarHBondContact O-N 2.86Å; Q720-Q723 PolarHBondContact O-N 3.05Å; Q720-A724 WeakPolarHBondContact O-CB 3.5Å; Q720-A724 PolarHBondContact O-N 3.34Å |
| 721 | K | 86.4 | Confident | 79.9 | Confident | 80 Ų | 80 | 57.2 Ų | 57.2 | 35% | 0.348 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 175.3 | -74.4 | 173.6 | -174.8 | -176.4 | 0 | 111.5 | L672 R676 S717 L718 A724 T725 | L672-K721 HydrophobicContact CD1-CB 4.13Å; R676-K721 PolarHBondContact NH2-O 3.29Å; S717-K721 VanDerWaalsContact O-CG 3.32Å; S717-K721 WeakPolarHBondContact O-CG 3.33Å; S717-K721 PolarHBondContact O-N 3.3Å; S717-K721 VanDerWaalsContact O-N 3.1Å; L718-K721 WeakPolarHBondContact O-CB 3.47Å; L718-K721 PolarHBondContact O-N 2.92Å; K721-A724 PolarHBondContact O-N 3.33Å; K721-T725 WeakPolarHBondContact O-CB 3.4Å; K721-T725 PolarHBondContact O-N 3.2Å; K721-T725 PolarHBondContact O-OG1 3.06Å |
| 722 | I | 89 | Confident | 80.8 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.6 | -49.2 | 175.7 | -66.7 | 167.4 | 0 | 0 | 0 | 109.9 | L672 M703 L706 Y707 L710 L718 K719 A724 T725 L726 | L672-I722 HydrophobicContact CD1-CG1 3.76Å; L672-I722 HydrophobicContact CD2-CG1 4.14Å; M703-I722 HydrophobicContact CB-CG2 4.15Å; L706-I722 HydrophobicContact CB-CD1 4.27Å; Y707-I722 HydrophobicContact CD2-CB 4.27Å; Y707-I722 HydrophobicContact CD2-CG2 4.02Å; L710-I722 HydrophobicContact CD1-CD1 3.89Å; L718-I722 HydrophobicContact CG-CD1 4.19Å; L718-I722 WeakPolarHBondContact O-CG1 3.39Å; L718-I722 PolarHBondContact O-N 3.07Å; K719-I722 PolarHBondContact O-N 3.35Å; I722-A724 VanDerWaalsContact C-N 3.33Å; I722-A724 PolarHBondContact O-N 3.47Å; I722-T725 PolarHBondContact O-N 3.19Å; I722-T725 VanDerWaalsContact O-N 3.07Å; I722-L726 HydrophobicContact CG2-CD1 3.83Å; I722-L726 HydrophobicContact CG2-CG 4.24Å; I722-L726 WeakPolarHBondContact O-CG 3.3Å; I722-L726 PolarHBondContact O-N 3.31Å |
| 723 | Q | 85.2 | Confident | 81.9 | Confident | 66 Ų | 66 | 48.8 Ų | 48.8 | 31% | 0.308 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -53.7 | -48.4 | 175.7 | -77.5 | 176.4 | -7.7 | 0 | 0 | 112.4 | Y707 K719 Q720 T725 L726 S727 I763 | Y707-Q723 HydrophobicContact CE2-CG 3.92Å; Y707-Q723 PolarHBondContact OH-NE2 3.37Å; K719-Q723 WeakPolarHBondContact O-CB 3.42Å; K719-Q723 VanDerWaalsContact O-CG 3.28Å; K719-Q723 WeakPolarHBondContact O-CG 3.39Å; K719-Q723 PolarHBondContact O-N 3.26Å; Q720-Q723 PolarHBondContact O-N 3.05Å; Q723-T725 VanDerWaalsContact C-N 3.33Å; Q723-T725 PolarHBondContact O-N 3.41Å; Q723-L726 PolarHBondContact O-N 2.84Å; Q723-S727 PolarHBondContact O-N 3.12Å; Q723-I763 HydrophobicContact CG-CD1 3.58Å; Q723-I763 HydrophobicContact CG-CG1 4.29Å |
| 724 | A | 85.9 | Confident | 83 | Confident | 34 Ų | 34 | 45.6 Ų | 45.6 | 28% | 0.281 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.8 | -33.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q720 K721 I722 S727 Y728 | Q720-A724 WeakPolarHBondContact O-CB 3.5Å; Q720-A724 PolarHBondContact O-N 3.34Å; K721-A724 PolarHBondContact O-N 3.33Å; I722-A724 VanDerWaalsContact C-N 3.33Å; I722-A724 PolarHBondContact O-N 3.47Å; A724-S727 PolarHBondContact O-OG 3.2Å; A724-Y728 WeakPolarHBondContact O-CD2 3.31Å |
| 725 | T | 89.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.4 | -43.3 | 175.4 | -61.5 | 0 | 0 | 0 | 0 | 110.9 | L672 F675 R676 M703 K721 I722 Q723 S727 Y728 Y729 | L672-T725 HydrophobicContact CD2-CG2 4.41Å; L672-T725 PolarHBondContact O-OG1 2.85Å; F675-T725 HydrophobicContact CB-CG2 3.89Å; R676-T725 HydrophobicContact CB-CG2 4.19Å; R676-T725 PolarHBondContact NE-OG1 3.24Å; R676-T725 PolarHBondContact NH2-OG1 3.04Å; M703-T725 HydrophobicContact CE-CG2 4Å; M703-T725 HydrophobicContact SD-CG2 4.03Å; K721-T725 WeakPolarHBondContact O-CB 3.4Å; K721-T725 PolarHBondContact O-N 3.2Å; K721-T725 PolarHBondContact O-OG1 3.06Å; I722-T725 PolarHBondContact O-N 3.19Å; I722-T725 VanDerWaalsContact O-N 3.07Å; Q723-T725 VanDerWaalsContact C-N 3.33Å; Q723-T725 PolarHBondContact O-N 3.41Å; T725-S727 PolarHBondContact O-N 3.14Å; T725-Y728 PolarHBondContact O-N 3.25Å; T725-Y729 PolarHBondContact O-N 3.41Å; T725-Y729 VanDerWaalsContact O-N 3.16Å |
| 726 | L | 88.8 | Confident | 84.3 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 176.2 | -70.5 | 173.9 | 0 | 0 | 0 | 112.2 | I700 M703 L704 I722 Q723 Y728 Y729 L730 I763 | I700-L726 HydrophobicContact CG1-CD2 4.41Å; I700-L726 HydrophobicContact CG2-CD2 4.21Å; M703-L726 HydrophobicContact SD-CD2 4.25Å; L704-L726 HydrophobicContact CD2-CD1 3.75Å; I722-L726 HydrophobicContact CG2-CD1 3.83Å; I722-L726 HydrophobicContact CG2-CG 4.24Å; I722-L726 WeakPolarHBondContact O-CG 3.3Å; I722-L726 PolarHBondContact O-N 3.31Å; Q723-L726 PolarHBondContact O-N 2.84Å; L726-Y728 PolarHBondContact O-N 2.59Å; L726-Y729 PolarHBondContact O-N 2.88Å; L726-L730 HydrophobicContact CB-CD1 4.48Å; L726-L730 WeakPolarHBondContact O-CB 3.12Å; L726-L730 VanDerWaalsContact O-CG 3.22Å; L726-L730 WeakPolarHBondContact O-CG 3.5Å; L726-L730 PolarHBondContact O-N 3.07Å; L726-I763 HydrophobicContact CB-CG2 4.38Å |
| 727 | S | 83.6 | Confident | 84.6 | Confident | 46 Ų | 46 | 49.9 Ų | 49.9 | 32% | 0.322 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61 | -28.6 | 179.3 | 64.2 | 0 | 0 | 0 | 0 | 113.9 | Q723 A724 T725 P731 Y767 | Q723-S727 PolarHBondContact O-N 3.12Å; A724-S727 PolarHBondContact O-OG 3.2Å; T725-S727 PolarHBondContact O-N 3.14Å; S727-P731 VanDerWaalsContact O-CD 3.3Å; S727-P731 WeakPolarHBondContact O-CD 3.34Å; S727-Y767 PolarHBondContact O-OH 2.99Å |
| 728 | Y | 83.8 | Confident | 84.6 | Confident | 109 Ų | 109 | 47.1 Ų | 47.1 | 43% | 0.427 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -86.7 | -23.7 | 173.4 | -74.4 | -73.2 | 0 | 0 | 0 | 113.2 | R676 A724 T725 L726 | R676-Y728 HydrophobicContact CG-CD2 3.5Å; R676-Y728 HydrophobicContact CG-CE2 4.16Å; R676-Y728 HydrophobicContact CG-CG 4.2Å; A724-Y728 WeakPolarHBondContact O-CD2 3.31Å; T725-Y728 PolarHBondContact O-N 3.25Å; L726-Y728 PolarHBondContact O-N 2.59Å |
| 729 | Y | 87.3 | Confident | 84.5 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -82.8 | -41.5 | -179.2 | -140.1 | -63.1 | 0 | 0 | 0 | 112.4 | A679 M692 A696 I700 T725 L726 P731 I732 L733 | A679-Y729 HydrophobicContact CB-CD2 4.14Å; A679-Y729 HydrophobicContact CB-CG 4.46Å; M692-Y729 HydrophobicContact CE-CD2 4.28Å; M692-Y729 HydrophobicContact CE-CE2 3.42Å; M692-Y729 VanDerWaalsContact CE-CE2 3.42Å; M692-Y729 WeakPolarHBondContact CE-OH 3.4Å; M692-Y729 PolarHBondContact O-OH 3.12Å; A696-Y729 HydrophobicContact CB-CD1 4.44Å; A696-Y729 HydrophobicContact CB-CE1 3.58Å; I700-Y729 HydrophobicContact CD1-CD1 4.01Å; I700-Y729 HydrophobicContact CD1-CE1 4.4Å; I700-Y729 HydrophobicContact CD1-CG 4.47Å; T725-Y729 PolarHBondContact O-N 3.41Å; T725-Y729 VanDerWaalsContact O-N 3.16Å; L726-Y729 PolarHBondContact O-N 2.88Å; Y729-P731 VanDerWaalsContact C-CD 3.44Å; Y729-I732 WeakPolarHBondContact O-CB 3.49Å; Y729-I732 PolarHBondContact O-N 3.18Å; Y729-L733 HydrophobicContact CD1-CD2 3.76Å; Y729-L733 HydrophobicContact CD1-CG 4.16Å; Y729-L733 HydrophobicContact CE1-CD2 3.84Å |
| 730 | L | 84.5 | Confident | 84.5 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -53.8 | -42.2 | -175.4 | -71.1 | 167.6 | 0 | 0 | 0 | 114.2 | L726 I732 L733 I763 L764 Y767 | L726-L730 HydrophobicContact CB-CD1 4.48Å; L726-L730 WeakPolarHBondContact O-CB 3.12Å; L726-L730 VanDerWaalsContact O-CG 3.22Å; L726-L730 WeakPolarHBondContact O-CG 3.5Å; L726-L730 PolarHBondContact O-N 3.07Å; L730-I732 PolarHBondContact O-N 3.19Å; L730-I732 VanDerWaalsContact O-N 3.12Å; L730-L733 HydrophobicContact CD2-CD1 3.91Å; L730-L733 PolarHBondContact O-N 3.05Å; L730-I763 HydrophobicContact CD1-CG2 3.89Å; L730-L764 HydrophobicContact CD1-CD2 4.11Å; L730-L764 HydrophobicContact CD2-CD2 3.59Å; L730-Y767 HydrophobicContact CB-CD1 4.36Å; L730-Y767 HydrophobicContact CB-CD2 3.72Å; L730-Y767 HydrophobicContact CB-CE1 4.46Å; L730-Y767 HydrophobicContact CB-CE2 3.82Å; L730-Y767 HydrophobicContact CB-CG 3.98Å; L730-Y767 HydrophobicContact CD1-CD2 3.67Å; L730-Y767 HydrophobicContact CD1-CE2 3.75Å; L730-Y767 HydrophobicContact CG-CD2 4.26Å; L730-Y767 HydrophobicContact CG-CE2 4.44Å |
| 731 | P | 81.9 | Confident | 84.4 | Confident | 79 Ų | 79 | 44.4 Ų | 44.4 | 51% | 0.513 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -59.7 | -22.7 | 176.6 | -22.6 | 31.5 | 0 | 0 | 0 | 114.9 | S727 Y729 Y767 | S727-P731 VanDerWaalsContact O-CD 3.3Å; S727-P731 WeakPolarHBondContact O-CD 3.34Å; Y729-P731 VanDerWaalsContact C-CD 3.44Å; P731-Y767 HydrophobicContact CB-CE1 4.42Å; P731-Y767 HydrophobicContact CG-CE1 3.72Å |
| 732 | I | 82.2 | Confident | 84.2 | Confident | 9 Ų | 9 | 40.7 Ų | 40.7 | 5% | 0.046 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -90 | -18.6 | -174.3 | -54.5 | 170.9 | 0 | 0 | 0 | 111.1 | A679 A682 V683 I689 R693 Y729 L730 | A679-I732 HydrophobicContact CB-CD1 3.9Å; A679-I732 WeakPolarHBondContact O-CD1 3.32Å; A682-I732 HydrophobicContact CB-CD1 4.4Å; V683-I732 HydrophobicContact CG2-CD1 4.18Å; V683-I732 HydrophobicContact CG2-CG1 4.33Å; I689-I732 HydrophobicContact CB-CG2 4.26Å; I689-I732 HydrophobicContact CG1-CG2 4.08Å; I689-I732 HydrophobicContact CG2-CG2 3.81Å; R693-I732 PolarHBondContact NE-O 3.08Å; R693-I732 PolarHBondContact NH2-O 2.77Å; Y729-I732 WeakPolarHBondContact O-CB 3.49Å; Y729-I732 PolarHBondContact O-N 3.18Å; L730-I732 PolarHBondContact O-N 3.19Å; L730-I732 VanDerWaalsContact O-N 3.12Å |
| 733 | L | 84.9 | Confident | 84 | Confident | 16 Ų | 16 | 45.7 Ų | 45.7 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -75.6 | 161.3 | -174.2 | -61.3 | 175.8 | 0 | 0 | 0 | 113.2 | A696 I700 Y729 L730 I738 | A696-L733 HydrophobicContact CB-CD2 3.46Å; A696-L733 VanDerWaalsContact CB-CD2 3.46Å; I700-L733 HydrophobicContact CD1-CD1 3.24Å; I700-L733 HydrophobicContact CD1-CD2 3.76Å; I700-L733 HydrophobicContact CD1-CG 4.06Å; Y729-L733 HydrophobicContact CD1-CD2 3.76Å; Y729-L733 HydrophobicContact CD1-CG 4.16Å; Y729-L733 HydrophobicContact CE1-CD2 3.84Å; L730-L733 HydrophobicContact CD2-CD1 3.91Å; L730-L733 PolarHBondContact O-N 3.05Å; L733-I738 HydrophobicContact CB-CD1 4.19Å; L733-I738 HydrophobicContact CB-CG1 4.06Å; L733-I738 HydrophobicContact CD1-CG1 4.31Å |
| 734 | S | 84.2 | Confident | 83.9 | Confident | 51 Ų | 51 | 45.9 Ų | 45.9 | 36% | 0.357 | 25% | 0.253 | S | S | . | . | trans | -74.6 | 145.9 | 170 | 65.2 | 0 | 0 | 0 | 0 | 111 | K736 M737 I738 | S734-K736 PolarHBondContact O-N 3.1Å; S734-M737 PolarHBondContact O-N 3.44Å; S734-M737 VanDerWaalsContact O-N 3.07Å; S734-I738 PolarHBondContact O-N 2.93Å | ||
| 735 | P | 77.7 | Confident | 83.7 | Confident | 97 Ų | 97 | 44.5 Ų | 44.5 | 63% | 0.63 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -60.8 | -31.6 | 180 | 23.5 | -33.7 | 0 | 0 | 0 | 112.4 | M737 I738 S739 | P735-M737 VanDerWaalsContact C-N 3.33Å; P735-M737 PolarHBondContact O-N 3.22Å; P735-I738 PolarHBondContact O-N 2.97Å; P735-S739 WeakPolarHBondContact O-CB 3.35Å; P735-S739 PolarHBondContact O-N 3.43Å |
| 736 | K | 80.9 | Confident | 83.3 | Confident | 180 Ų | 180 | 45.5 Ų | 45.5 | 78% | 0.783 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.8 | -37.4 | 176 | -65.1 | -175.7 | 179.4 | -179.5 | 0 | 112.8 | S734 S740 | S734-K736 PolarHBondContact O-N 3.1Å; K736-S740 PolarHBondContact O-N 3.48Å; K736-S740 PolarHBondContact O-OG 3.13Å |
| 737 | M | 83 | Confident | 83 | Confident | 49 Ų | 49 | 49.8 Ų | 49.8 | 24% | 0.241 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74.8 | -36.8 | 178.8 | -171.4 | 69 | 172.6 | 0 | 0 | 111.8 | S734 P735 S740 L741 | S734-M737 PolarHBondContact O-N 3.44Å; S734-M737 VanDerWaalsContact O-N 3.07Å; P735-M737 VanDerWaalsContact C-N 3.33Å; P735-M737 PolarHBondContact O-N 3.22Å; M737-S740 PolarHBondContact O-OG 3.22Å; M737-L741 WeakPolarHBondContact O-CB 3.47Å; M737-L741 PolarHBondContact O-N 2.85Å; M737-L741 VanDerWaalsContact O-N 3.14Å |
| 738 | I | 82.8 | Confident | 82.9 | Confident | 9 Ų | 9 | 51 Ų | 51 | 5% | 0.046 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 175 | -61.5 | 167.8 | 0 | 0 | 0 | 109.7 | L733 S734 P735 L741 T742 | L733-I738 HydrophobicContact CB-CD1 4.19Å; L733-I738 HydrophobicContact CB-CG1 4.06Å; L733-I738 HydrophobicContact CD1-CG1 4.31Å; S734-I738 PolarHBondContact O-N 2.93Å; P735-I738 PolarHBondContact O-N 2.97Å; I738-L741 PolarHBondContact O-N 3.41Å; I738-T742 VanDerWaalsContact O-CB 3.28Å; I738-T742 WeakPolarHBondContact O-CB 3.39Å; I738-T742 PolarHBondContact O-N 3.27Å; I738-T742 PolarHBondContact O-OG1 3.44Å |
| 739 | S | 82.6 | Confident | 82.7 | Confident | 16 Ų | 16 | 46 Ų | 46 | 11% | 0.112 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.5 | -48.1 | 175.4 | 172.2 | 0 | 0 | 0 | 0 | 112.3 | P735 L741 T742 K743 E772 | P735-S739 WeakPolarHBondContact O-CB 3.35Å; P735-S739 PolarHBondContact O-N 3.43Å; S739-L741 VanDerWaalsContact C-N 3.31Å; S739-L741 PolarHBondContact O-N 3.49Å; S739-T742 PolarHBondContact O-N 2.9Å; S739-K743 WeakPolarHBondContact O-CB 3.38Å; S739-K743 WeakPolarHBondContact O-CG 3.4Å; S739-K743 PolarHBondContact O-N 3.42Å; S739-K743 WeakPolarHBondContact OG-CE 3.41Å; S739-K743 PolarHBondContact OG-NZ 3.47Å; S739-E772 WeakPolarHBondContact CB-OE1 3.28Å; S739-E772 PolarHBondContact OG-OE1 2.97Å; S739-E772 PolarHBondContact OG-OE2 3.22Å |
| 740 | S | 84.9 | Confident | 82.3 | Confident | 54 Ų | 54 | 48.8 Ų | 48.8 | 38% | 0.378 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.4 | -39.3 | -179.7 | 67 | 0 | 0 | 0 | 0 | 112.3 | K736 M737 T744 | K736-S740 PolarHBondContact O-N 3.48Å; K736-S740 PolarHBondContact O-OG 3.13Å; M737-S740 PolarHBondContact O-OG 3.22Å; S740-T744 WeakPolarHBondContact O-CB 3.4Å; S740-T744 PolarHBondContact O-N 3.16Å; S740-T744 PolarHBondContact O-OG1 2.87Å |
| 741 | L | 84.2 | Confident | 82.2 | Confident | 32 Ų | 32 | 55 Ų | 55 | 17% | 0.168 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.8 | -40.4 | 178.2 | -176.9 | 65.1 | 0 | 0 | 0 | 112.4 | I700 L704 M737 I738 S739 T744 A745 L764 | I700-L741 HydrophobicContact CG2-CD2 3.86Å; L704-L741 HydrophobicContact CD1-CD1 3.3Å; L704-L741 HydrophobicContact CD1-CD2 3.29Å; L704-L741 HydrophobicContact CD1-CG 3.77Å; M737-L741 WeakPolarHBondContact O-CB 3.47Å; M737-L741 PolarHBondContact O-N 2.85Å; M737-L741 VanDerWaalsContact O-N 3.14Å; I738-L741 PolarHBondContact O-N 3.41Å; S739-L741 VanDerWaalsContact C-N 3.31Å; S739-L741 PolarHBondContact O-N 3.49Å; L741-T744 PolarHBondContact O-N 3.3Å; L741-A745 WeakPolarHBondContact O-CB 3.41Å; L741-A745 PolarHBondContact O-N 2.9Å; L741-L764 HydrophobicContact CB-CD1 4.4Å; L741-L764 HydrophobicContact CD2-CD1 3.64Å; L741-L764 HydrophobicContact CD2-CD2 3.52Å; L741-L764 HydrophobicContact CD2-CG 4.23Å; L741-L764 HydrophobicContact CG-CD1 3.61Å; L741-L764 HydrophobicContact CG-CD2 4.39Å |
| 742 | T | 82.3 | Confident | 82 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 177.8 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | I738 S739 T744 A745 M746 F761 I776 | I738-T742 VanDerWaalsContact O-CB 3.28Å; I738-T742 WeakPolarHBondContact O-CB 3.39Å; I738-T742 PolarHBondContact O-N 3.27Å; I738-T742 PolarHBondContact O-OG1 3.44Å; S739-T742 PolarHBondContact O-N 2.9Å; T742-T744 PolarHBondContact O-N 2.82Å; T742-A745 PolarHBondContact O-N 3.21Å; T742-M746 PolarHBondContact O-N 2.82Å; T742-F761 HydrophobicContact CG2-CD2 3.92Å; T742-F761 HydrophobicContact CG2-CE2 3.41Å; T742-F761 VanDerWaalsContact CG2-CE2 3.41Å; T742-F761 HydrophobicContact CG2-CZ 4.43Å; T742-I776 HydrophobicContact CG2-CD1 4.33Å |
| 743 | K | 84.2 | Confident | 81.7 | Confident | 104 Ų | 104 | 61 Ų | 61 | 45% | 0.452 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 173.7 | -74.5 | 169.7 | -179.3 | 154.1 | 0 | 112 | S739 A745 M746 I747 E772 | S739-K743 WeakPolarHBondContact O-CB 3.38Å; S739-K743 WeakPolarHBondContact O-CG 3.4Å; S739-K743 PolarHBondContact O-N 3.42Å; S739-K743 WeakPolarHBondContact OG-CE 3.41Å; S739-K743 PolarHBondContact OG-NZ 3.47Å; K743-A745 PolarHBondContact O-N 3.11Å; K743-M746 PolarHBondContact O-N 3.08Å; K743-I747 VanDerWaalsContact O-CG1 3.28Å; K743-I747 WeakPolarHBondContact O-CG1 3.35Å; K743-I747 PolarHBondContact O-N 3.47Å; K743-E772 WeakPolarHBondContact CE-OE1 3.35Å; K743-E772 IonicContact NZ-OE1 3.03Å; K743-E772 PolarHBondContact NZ-OE1 3Å |
| 744 | T | 82.4 | Confident | 81.4 | Confident | 70 Ų | 70 | 64.9 Ų | 64.9 | 43% | 0.429 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 177.5 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | S740 L741 T742 M746 I747 K748 | S740-T744 WeakPolarHBondContact O-CB 3.4Å; S740-T744 PolarHBondContact O-N 3.16Å; S740-T744 PolarHBondContact O-OG1 2.87Å; L741-T744 PolarHBondContact O-N 3.3Å; T742-T744 PolarHBondContact O-N 2.82Å; T744-M746 VanDerWaalsContact C-N 3.32Å; T744-M746 PolarHBondContact O-N 3.31Å; T744-I747 PolarHBondContact O-N 2.87Å; T744-K748 HydrophobicContact CG2-CD 4.44Å; T744-K748 HydrophobicContact CG2-CG 4.5Å; T744-K748 WeakPolarHBondContact O-CB 3.36Å; T744-K748 VanDerWaalsContact O-CG 3.32Å; T744-K748 WeakPolarHBondContact O-CG 3.42Å; T744-K748 PolarHBondContact O-N 3.36Å |
| 745 | A | 82.4 | Confident | 81 | Confident | 6 Ų | 6 | 65.3 Ų | 65.3 | 5% | 0.05 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | L741 T742 K743 F749 I760 | L741-A745 WeakPolarHBondContact O-CB 3.41Å; L741-A745 PolarHBondContact O-N 2.9Å; T742-A745 PolarHBondContact O-N 3.21Å; K743-A745 PolarHBondContact O-N 3.11Å; A745-F749 WeakPolarHBondContact O-CB 3.49Å; A745-F749 PolarHBondContact O-N 3.44Å; A745-I760 HydrophobicContact CB-CG2 4.29Å |
| 746 | M | 80.4 | Confident | 81.1 | Confident | 20 Ų | 20 | 61.3 Ų | 61.3 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.6 | -48.6 | 177.4 | -165.5 | 65.8 | -178.5 | 0 | 0 | 111.9 | T742 K743 T744 K748 F749 E750 F761 R779 Y783 | T742-M746 PolarHBondContact O-N 2.82Å; K743-M746 PolarHBondContact O-N 3.08Å; T744-M746 VanDerWaalsContact C-N 3.32Å; T744-M746 PolarHBondContact O-N 3.31Å; M746-K748 VanDerWaalsContact C-N 3.33Å; M746-K748 PolarHBondContact O-N 3.2Å; M746-F749 WeakPolarHBondContact O-CA 3.36Å; M746-F749 WeakPolarHBondContact O-CB 3.2Å; M746-F749 PolarHBondContact O-N 3.15Å; M746-F749 VanDerWaalsContact O-N 3.09Å; M746-F749 HydrophobicContact SD-CD1 4.39Å; M746-E750 WeakPolarHBondContact O-CG 3.42Å; M746-E750 PolarHBondContact O-N 2.99Å; M746-F761 HydrophobicContact CB-CE2 4.35Å; M746-F761 HydrophobicContact SD-CE1 4.23Å; M746-F761 HydrophobicContact SD-CE2 4.19Å; M746-F761 HydrophobicContact SD-CZ 3.95Å; M746-R779 HydrophobicContact CE-CB 4.29Å; M746-Y783 HydrophobicContact CE-CE2 3.69Å |
| 747 | I | 82.3 | Confident | 81.1 | Confident | 92 Ų | 92 | 53.8 Ų | 53.8 | 47% | 0.472 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 177.8 | -66.3 | 163.7 | 0 | 0 | 0 | 110.9 | K743 T744 F749 E750 N751 | K743-I747 VanDerWaalsContact O-CG1 3.28Å; K743-I747 WeakPolarHBondContact O-CG1 3.35Å; K743-I747 PolarHBondContact O-N 3.47Å; T744-I747 PolarHBondContact O-N 2.87Å; I747-F749 VanDerWaalsContact C-N 3.31Å; I747-F749 PolarHBondContact O-N 3.09Å; I747-E750 PolarHBondContact O-N 2.7Å; I747-N751 VanDerWaalsContact O-CG 3.28Å; I747-N751 PolarHBondContact O-N 3.47Å; I747-N751 VanDerWaalsContact O-N 3.08Å; I747-N751 PolarHBondContact O-ND2 2.91Å |
| 748 | K | 82.2 | Confident | 80.9 | Confident | 71 Ų | 71 | 51.8 Ų | 51.8 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 175.1 | -75.3 | -171.9 | -178.7 | -171.1 | 0 | 111.8 | E708 T744 M746 N751 T752 Y757 | E708-K748 IonicContact OE1-NZ 3.98Å; E708-K748 PolarHBondContact OE1-NZ 3.32Å; E708-K748 IonicContact OE2-NZ 3.92Å; E708-K748 PolarHBondContact OE2-NZ 2.94Å; T744-K748 HydrophobicContact CG2-CD 4.44Å; T744-K748 HydrophobicContact CG2-CG 4.5Å; T744-K748 WeakPolarHBondContact O-CB 3.36Å; T744-K748 VanDerWaalsContact O-CG 3.32Å; T744-K748 WeakPolarHBondContact O-CG 3.42Å; T744-K748 PolarHBondContact O-N 3.36Å; M746-K748 VanDerWaalsContact C-N 3.33Å; M746-K748 PolarHBondContact O-N 3.2Å; K748-N751 PolarHBondContact O-N 3.48Å; K748-T752 WeakPolarHBondContact O-CB 3.29Å; K748-T752 WeakPolarHBondContact O-CG2 3.34Å; K748-T752 PolarHBondContact O-N 3.39Å; K748-T752 PolarHBondContact O-OG1 3.06Å; K748-Y757 HydrophobicContact CB-CD1 3.82Å; K748-Y757 HydrophobicContact CB-CD2 4.35Å; K748-Y757 HydrophobicContact CB-CE1 3.7Å; K748-Y757 HydrophobicContact CB-CE2 4.23Å; K748-Y757 HydrophobicContact CB-CG 4.17Å; K748-Y757 HydrophobicContact CD-CD1 4.12Å; K748-Y757 HydrophobicContact CD-CE1 3.38Å; K748-Y757 HydrophobicContact CG-CE1 4.22Å |
| 749 | F | 79.7 | Confident | 80.8 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -43 | 174.5 | 173.3 | -113.7 | 0 | 0 | 0 | 111.9 | A745 M746 I747 N751 K753 E754 L758 L793 | A745-F749 WeakPolarHBondContact O-CB 3.49Å; A745-F749 PolarHBondContact O-N 3.44Å; M746-F749 WeakPolarHBondContact O-CA 3.36Å; M746-F749 WeakPolarHBondContact O-CB 3.2Å; M746-F749 PolarHBondContact O-N 3.15Å; M746-F749 VanDerWaalsContact O-N 3.09Å; M746-F749 HydrophobicContact SD-CD1 4.39Å; I747-F749 VanDerWaalsContact C-N 3.31Å; I747-F749 PolarHBondContact O-N 3.09Å; F749-N751 VanDerWaalsContact C-N 3.32Å; F749-N751 PolarHBondContact O-N 2.93Å; F749-K753 WeakPolarHBondContact O-CA 3.28Å; F749-K753 PolarHBondContact O-N 3.28Å; F749-E754 WeakPolarHBondContact CD2-O 3.36Å; F749-L758 HydrophobicContact CD1-CD2 3.95Å; F749-L758 HydrophobicContact CD2-CD2 4.16Å; F749-L758 HydrophobicContact CD2-CG 3.85Å; F749-L758 HydrophobicContact CE1-CD2 3.9Å; F749-L758 HydrophobicContact CE1-CG 4.35Å; F749-L758 HydrophobicContact CE2-CD1 3.87Å; F749-L758 HydrophobicContact CE2-CD2 4.17Å; F749-L758 HydrophobicContact CE2-CG 3.72Å; F749-L758 HydrophobicContact CG-CD2 4.07Å; F749-L758 HydrophobicContact CG-CG 4.27Å; F749-L758 HydrophobicContact CZ-CD1 3.85Å; F749-L758 HydrophobicContact CZ-CD2 4.01Å; F749-L758 HydrophobicContact CZ-CG 3.95Å; F749-L793 HydrophobicContact CE2-CD1 3.48Å; F749-L793 VanDerWaalsContact CE2-CD1 3.48Å; F749-L793 HydrophobicContact CE2-CD2 4.2Å; F749-L793 HydrophobicContact CE2-CG 4.28Å; F749-L793 HydrophobicContact CZ-CD1 3.78Å; F749-L793 HydrophobicContact CZ-CD2 3.97Å; F749-L793 HydrophobicContact CZ-CG 4.11Å |
| 750 | E | 78.4 | Confident | 80.8 | Confident | 60 Ų | 60 | 52.3 Ų | 52.3 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 178.6 | -69.4 | -172.1 | 120.9 | 0 | 0 | 112.3 | M746 I747 R779 Y783 | M746-E750 WeakPolarHBondContact O-CG 3.42Å; M746-E750 PolarHBondContact O-N 2.99Å; I747-E750 PolarHBondContact O-N 2.7Å; E750-R779 IonicContact OE1-CZ 3.97Å; E750-R779 IonicContact OE1-NE 3.41Å; E750-R779 IonicContact OE1-NH1 3.3Å; E750-R779 PolarHBondContact OE1-NH1 2.72Å; E750-R779 IonicContact OE1-NH2 3.8Å; E750-R779 PolarHBondContact OE1-NH2 2.72Å; E750-R779 IonicContact OE2-CZ 3.13Å; E750-R779 IonicContact OE2-NH1 2.86Å; E750-R779 PolarHBondContact OE2-NH1 3.2Å; E750-R779 VanDerWaalsContact OE2-NH1 3.16Å; E750-R779 IonicContact OE2-NH2 2.89Å; E750-Y783 WeakPolarHBondContact CG-OH 3.17Å; E750-Y783 PolarHBondContact OE1-OH 3.27Å |
| 751 | N | 82.1 | Confident | 80.6 | Confident | 130 Ų | 130 | 50 Ų | 50 | 70% | 0.695 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -75 | -41.3 | -178 | -65.8 | -16.5 | 0 | 0 | 0 | 112.7 | I747 K748 F749 | I747-N751 VanDerWaalsContact O-CG 3.28Å; I747-N751 PolarHBondContact O-N 3.47Å; I747-N751 VanDerWaalsContact O-N 3.08Å; I747-N751 PolarHBondContact O-ND2 2.91Å; K748-N751 PolarHBondContact O-N 3.48Å; F749-N751 VanDerWaalsContact C-N 3.32Å; F749-N751 PolarHBondContact O-N 2.93Å |
| 752 | T | 77.8 | Confident | 80.4 | Confident | 63 Ų | 63 | 50.3 Ų | 50.3 | 39% | 0.387 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -96.8 | -26.9 | -172.1 | 62.3 | 0 | 0 | 0 | 0 | 113.7 | K748 E754 Y757 | K748-T752 WeakPolarHBondContact O-CB 3.29Å; K748-T752 WeakPolarHBondContact O-CG2 3.34Å; K748-T752 PolarHBondContact O-N 3.39Å; K748-T752 PolarHBondContact O-OG1 3.06Å; T752-E754 PolarHBondContact O-N 3.32Å; T752-E754 PolarHBondContact OG1-N 2.86Å; T752-Y757 HydrophobicContact CG2-CE2 3.99Å; T752-Y757 VanDerWaalsContact OG1-CD2 3.22Å; T752-Y757 WeakPolarHBondContact OG1-CD2 3.16Å; T752-Y757 WeakPolarHBondContact OG1-CE2 3.2Å |
| 753 | K | 76.4 | Confident | 80.2 | Confident | 153 Ų | 153 | 51 Ų | 51 | 67% | 0.665 | 26% | 0.256 | S | S | * | . | trans | 54.4 | 23 | -169.7 | -58.6 | -178.9 | -179.6 | 179.1 | 0 | 114 | F749 | F749-K753 WeakPolarHBondContact O-CA 3.28Å; F749-K753 PolarHBondContact O-N 3.28Å | ||
| 754 | E | 77.7 | Confident | 80 | Confident | 97 Ų | 97 | 46.1 Ų | 46.1 | 45% | 0.453 | 23% | 0.234 | S | C | . | . | trans | -79.4 | 142.6 | 179 | -74.6 | -176.5 | 178.3 | 0 | 0 | 112.7 | F749 T752 V756 Y757 | F749-E754 WeakPolarHBondContact CD2-O 3.36Å; T752-E754 PolarHBondContact O-N 3.32Å; T752-E754 PolarHBondContact OG1-N 2.86Å; E754-V756 VanDerWaalsContact C-N 3.26Å; E754-V756 PolarHBondContact O-N 2.89Å; E754-Y757 HydrophobicContact CB-CD2 3.94Å; E754-Y757 HydrophobicContact CB-CE2 4.11Å | ||
| 755 | P | 76 | Confident | 79.8 | Confident | 59 Ų | 59 | 42.8 Ų | 42.8 | 38% | 0.383 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -71.4 | -18.5 | -177.5 | 30.1 | -35.9 | 0 | 0 | 0 | 113.6 | Y757 L758 E759 R796 | P755-Y757 VanDerWaalsContact C-N 3.34Å; P755-L758 PolarHBondContact O-N 3.46Å; P755-E759 PolarHBondContact O-N 3.19Å; P755-R796 HydrophobicContact CB-CG 4.49Å |
| 756 | V | 79.8 | Confident | 79.3 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.4 | -40.6 | -177.9 | -178 | 0 | 0 | 0 | 0 | 110.8 | Y707 E754 L758 E759 I760 | Y707-V756 HydrophobicContact CD1-CG1 3.92Å; Y707-V756 HydrophobicContact CE1-CG1 4.01Å; E754-V756 VanDerWaalsContact C-N 3.26Å; E754-V756 PolarHBondContact O-N 2.89Å; V756-L758 VanDerWaalsContact C-N 3.3Å; V756-L758 PolarHBondContact O-N 3.16Å; V756-E759 WeakPolarHBondContact O-CA 3.33Å; V756-E759 WeakPolarHBondContact O-CB 3.36Å; V756-E759 PolarHBondContact O-N 3.24Å; V756-I760 HydrophobicContact CG1-CD1 4.4Å; V756-I760 PolarHBondContact O-N 2.95Å |
| 757 | Y | 81.5 | Confident | 79 | Confident | 22 Ų | 22 | 44.2 Ų | 44.2 | 9% | 0.086 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.5 | -34.9 | 177 | -63.3 | -65 | 0 | 0 | 0 | 112.5 | E708 K748 T752 E754 P755 E759 I760 F761 | E708-Y757 HydrophobicContact CG-CE1 3.92Å; E708-Y757 WeakPolarHBondContact OE1-CE1 3.3Å; E708-Y757 PolarHBondContact OE2-OH 3.02Å; K748-Y757 HydrophobicContact CB-CD1 3.82Å; K748-Y757 HydrophobicContact CB-CD2 4.35Å; K748-Y757 HydrophobicContact CB-CE1 3.7Å; K748-Y757 HydrophobicContact CB-CE2 4.23Å; K748-Y757 HydrophobicContact CB-CG 4.17Å; K748-Y757 HydrophobicContact CD-CD1 4.12Å; K748-Y757 HydrophobicContact CD-CE1 3.38Å; K748-Y757 HydrophobicContact CG-CE1 4.22Å; T752-Y757 HydrophobicContact CG2-CE2 3.99Å; T752-Y757 VanDerWaalsContact OG1-CD2 3.22Å; T752-Y757 WeakPolarHBondContact OG1-CD2 3.16Å; T752-Y757 WeakPolarHBondContact OG1-CE2 3.2Å; E754-Y757 HydrophobicContact CB-CD2 3.94Å; E754-Y757 HydrophobicContact CB-CE2 4.11Å; P755-Y757 VanDerWaalsContact C-N 3.34Å; Y757-E759 VanDerWaalsContact C-N 3.31Å; Y757-E759 PolarHBondContact O-N 2.87Å; Y757-I760 HydrophobicContact CD1-CD1 4.46Å; Y757-I760 PolarHBondContact O-N 3.18Å; Y757-F761 WeakPolarHBondContact O-CB 3.45Å; Y757-F761 PolarHBondContact O-N 3Å |
| 758 | L | 79.9 | Confident | 79 | Confident | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.6 | -27.4 | 172.4 | -69.7 | -177.4 | 0 | 0 | 0 | 113.1 | F749 P755 V756 F761 Q762 L793 R796 V797 | F749-L758 HydrophobicContact CD1-CD2 3.95Å; F749-L758 HydrophobicContact CD2-CD2 4.16Å; F749-L758 HydrophobicContact CD2-CG 3.85Å; F749-L758 HydrophobicContact CE1-CD2 3.9Å; F749-L758 HydrophobicContact CE1-CG 4.35Å; F749-L758 HydrophobicContact CE2-CD1 3.87Å; F749-L758 HydrophobicContact CE2-CD2 4.17Å; F749-L758 HydrophobicContact CE2-CG 3.72Å; F749-L758 HydrophobicContact CG-CD2 4.07Å; F749-L758 HydrophobicContact CG-CG 4.27Å; F749-L758 HydrophobicContact CZ-CD1 3.85Å; F749-L758 HydrophobicContact CZ-CD2 4.01Å; F749-L758 HydrophobicContact CZ-CG 3.95Å; P755-L758 PolarHBondContact O-N 3.46Å; V756-L758 VanDerWaalsContact C-N 3.3Å; V756-L758 PolarHBondContact O-N 3.16Å; L758-F761 HydrophobicContact CD2-CD1 4.49Å; L758-Q762 WeakPolarHBondContact O-CB 3.48Å; L758-Q762 PolarHBondContact O-N 3.03Å; L758-L793 HydrophobicContact CD1-CD1 3.46Å; L758-L793 VanDerWaalsContact CD1-CD1 3.46Å; L758-L793 HydrophobicContact CD1-CG 4.19Å; L758-L793 HydrophobicContact CG-CD1 4.42Å; L758-R796 HydrophobicContact CB-CB 4.1Å; L758-R796 HydrophobicContact CD1-CB 3.63Å; L758-V797 HydrophobicContact CD1-CG2 3.78Å |
| 759 | E | 80.4 | Confident | 78.8 | Confident | 31 Ų | 31 | 38.9 Ų | 38.9 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.5 | -43.7 | 172.5 | -60.9 | -169.1 | 160.6 | 0 | 0 | 111.6 | Y707 P755 V756 Y757 F761 Q762 I763 R796 | Y707-E759 HydrophobicContact CE1-CB 4.14Å; Y707-E759 PolarHBondContact OH-OE2 2.96Å; P755-E759 PolarHBondContact O-N 3.19Å; V756-E759 WeakPolarHBondContact O-CA 3.33Å; V756-E759 WeakPolarHBondContact O-CB 3.36Å; V756-E759 PolarHBondContact O-N 3.24Å; Y757-E759 VanDerWaalsContact C-N 3.31Å; Y757-E759 PolarHBondContact O-N 2.87Å; E759-F761 VanDerWaalsContact C-N 3.3Å; E759-Q762 PolarHBondContact O-N 2.95Å; E759-I763 WeakPolarHBondContact O-CD1 3.46Å; E759-I763 WeakPolarHBondContact O-CG1 3.22Å; E759-I763 PolarHBondContact O-N 3.28Å; E759-R796 IonicContact OE1-CZ 3.87Å; E759-R796 IonicContact OE1-NH1 3.19Å; E759-R796 PolarHBondContact OE1-NH1 3.48Å; E759-R796 IonicContact OE1-NH2 2.92Å; E759-R796 PolarHBondContact OE1-NH2 3.38Å |
| 760 | I | 81 | Confident | 78.7 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.6 | -47.6 | 173.6 | -65.9 | 170.9 | 0 | 0 | 0 | 109.2 | L704 Y707 E708 A745 V756 Y757 Q762 I763 L764 | L704-I760 HydrophobicContact CD2-CD1 4.41Å; L704-I760 HydrophobicContact CD2-CG1 4.27Å; L704-I760 HydrophobicContact CD2-CG2 3.8Å; Y707-I760 HydrophobicContact CD1-CD1 3.95Å; Y707-I760 HydrophobicContact CD1-CG1 3.6Å; Y707-I760 HydrophobicContact CE1-CG1 4.01Å; Y707-I760 HydrophobicContact CG-CG1 4.36Å; E708-I760 HydrophobicContact CG-CD1 3.94Å; A745-I760 HydrophobicContact CB-CG2 4.29Å; V756-I760 HydrophobicContact CG1-CD1 4.4Å; V756-I760 PolarHBondContact O-N 2.95Å; Y757-I760 HydrophobicContact CD1-CD1 4.46Å; Y757-I760 PolarHBondContact O-N 3.18Å; I760-Q762 VanDerWaalsContact C-N 3.35Å; I760-Q762 PolarHBondContact O-N 3.09Å; I760-I763 WeakPolarHBondContact O-CB 3.4Å; I760-I763 PolarHBondContact O-N 3.04Å; I760-L764 HydrophobicContact CG2-CD1 3.79Å; I760-L764 HydrophobicContact CG2-CG 4.4Å; I760-L764 WeakPolarHBondContact O-CG 3.33Å; I760-L764 PolarHBondContact O-N 3.27Å |
| 761 | F | 81.2 | Confident | 78.6 | Confident | 5 Ų | 5 | 43.6 Ų | 43.6 | 2% | 0.022 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.2 | -44.7 | 178.3 | -165.2 | -120.7 | 0 | 0 | 0 | 111.8 | T742 M746 Y757 L758 E759 I763 L764 I765 I776 V800 | T742-F761 HydrophobicContact CG2-CD2 3.92Å; T742-F761 HydrophobicContact CG2-CE2 3.41Å; T742-F761 VanDerWaalsContact CG2-CE2 3.41Å; T742-F761 HydrophobicContact CG2-CZ 4.43Å; M746-F761 HydrophobicContact CB-CE2 4.35Å; M746-F761 HydrophobicContact SD-CE1 4.23Å; M746-F761 HydrophobicContact SD-CE2 4.19Å; M746-F761 HydrophobicContact SD-CZ 3.95Å; Y757-F761 WeakPolarHBondContact O-CB 3.45Å; Y757-F761 PolarHBondContact O-N 3Å; L758-F761 HydrophobicContact CD2-CD1 4.49Å; E759-F761 VanDerWaalsContact C-N 3.3Å; F761-I763 PolarHBondContact O-N 3.29Å; F761-I763 VanDerWaalsContact O-N 3.14Å; F761-L764 PolarHBondContact O-N 3.03Å; F761-I765 HydrophobicContact CB-CD1 4.44Å; F761-I765 HydrophobicContact CD1-CD1 3.09Å; F761-I765 HydrophobicContact CD1-CG1 3.76Å; F761-I765 HydrophobicContact CD2-CD1 4.3Å; F761-I765 HydrophobicContact CD2-CG1 4.08Å; F761-I765 HydrophobicContact CE1-CD1 3.17Å; F761-I765 HydrophobicContact CE1-CG1 3.65Å; F761-I765 HydrophobicContact CE2-CD1 4.38Å; F761-I765 HydrophobicContact CE2-CG1 4Å; F761-I765 HydrophobicContact CG-CD1 3.68Å; F761-I765 HydrophobicContact CG-CG1 3.94Å; F761-I765 HydrophobicContact CZ-CD1 3.85Å; F761-I765 HydrophobicContact CZ-CG1 3.76Å; F761-I765 WeakPolarHBondContact O-CD1 3.33Å; F761-I765 WeakPolarHBondContact O-CG1 3.32Å; F761-I765 PolarHBondContact O-N 3.09Å; F761-I776 HydrophobicContact CE1-CG2 3.8Å; F761-I776 HydrophobicContact CE2-CD1 4.19Å; F761-I776 HydrophobicContact CZ-CB 4.42Å; F761-I776 HydrophobicContact CZ-CD1 3.72Å; F761-I776 HydrophobicContact CZ-CG1 3.89Å; F761-I776 HydrophobicContact CZ-CG2 3.62Å; F761-V800 HydrophobicContact CD1-CG1 4.12Å; F761-V800 HydrophobicContact CD1-CG2 4.14Å; F761-V800 HydrophobicContact CE1-CG1 4.13Å |
| 762 | Q | 80.2 | Confident | 78.4 | Confident | 39 Ų | 39 | 38.7 Ų | 38.7 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.4 | -30.7 | 175.8 | -172.8 | -176.1 | 1.4 | 0 | 0 | 113.4 | L758 E759 I760 R799 V800 | L758-Q762 WeakPolarHBondContact O-CB 3.48Å; L758-Q762 PolarHBondContact O-N 3.03Å; E759-Q762 PolarHBondContact O-N 2.95Å; I760-Q762 VanDerWaalsContact C-N 3.35Å; I760-Q762 PolarHBondContact O-N 3.09Å; Q762-R799 PolarHBondContact NE2-O 3Å; Q762-V800 HydrophobicContact CB-CG2 4.07Å |
| 763 | I | 77.5 | Confident | 78.4 | Confident | 18 Ų | 18 | 35.7 Ų | 35.7 | 9% | 0.092 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -76.3 | -40.8 | 177.4 | -58.1 | 156.2 | 0 | 0 | 0 | 110.4 | Q723 L726 L730 E759 I760 F761 | Q723-I763 HydrophobicContact CG-CD1 3.58Å; Q723-I763 HydrophobicContact CG-CG1 4.29Å; L726-I763 HydrophobicContact CB-CG2 4.38Å; L730-I763 HydrophobicContact CD1-CG2 3.89Å; E759-I763 WeakPolarHBondContact O-CD1 3.46Å; E759-I763 WeakPolarHBondContact O-CG1 3.22Å; E759-I763 PolarHBondContact O-N 3.28Å; I760-I763 WeakPolarHBondContact O-CB 3.4Å; I760-I763 PolarHBondContact O-N 3.04Å; F761-I763 PolarHBondContact O-N 3.29Å; F761-I763 VanDerWaalsContact O-N 3.14Å |
| 764 | L | 81.5 | Confident | 78.7 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -80.5 | -38.8 | -172.5 | -63 | 174.6 | 0 | 0 | 0 | 114.1 | L730 L741 I760 F761 A766 Y767 | L730-L764 HydrophobicContact CD1-CD2 4.11Å; L730-L764 HydrophobicContact CD2-CD2 3.59Å; L741-L764 HydrophobicContact CB-CD1 4.4Å; L741-L764 HydrophobicContact CD2-CD1 3.64Å; L741-L764 HydrophobicContact CD2-CD2 3.52Å; L741-L764 HydrophobicContact CD2-CG 4.23Å; L741-L764 HydrophobicContact CG-CD1 3.61Å; L741-L764 HydrophobicContact CG-CD2 4.39Å; I760-L764 HydrophobicContact CG2-CD1 3.79Å; I760-L764 HydrophobicContact CG2-CG 4.4Å; I760-L764 WeakPolarHBondContact O-CG 3.33Å; I760-L764 PolarHBondContact O-N 3.27Å; F761-L764 PolarHBondContact O-N 3.03Å; L764-A766 PolarHBondContact O-N 2.89Å; L764-A766 VanDerWaalsContact O-N 3.07Å; L764-Y767 PolarHBondContact O-N 3.12Å |
| 765 | I | 77.2 | Confident | 78.8 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -52.1 | -37.1 | -176.3 | -74.2 | 159.7 | 0 | 0 | 0 | 112.4 | F761 Y767 N768 L773 V800 I804 | F761-I765 HydrophobicContact CB-CD1 4.44Å; F761-I765 HydrophobicContact CD1-CD1 3.09Å; F761-I765 HydrophobicContact CD1-CG1 3.76Å; F761-I765 HydrophobicContact CD2-CD1 4.3Å; F761-I765 HydrophobicContact CD2-CG1 4.08Å; F761-I765 HydrophobicContact CE1-CD1 3.17Å; F761-I765 HydrophobicContact CE1-CG1 3.65Å; F761-I765 HydrophobicContact CE2-CD1 4.38Å; F761-I765 HydrophobicContact CE2-CG1 4Å; F761-I765 HydrophobicContact CG-CD1 3.68Å; F761-I765 HydrophobicContact CG-CG1 3.94Å; F761-I765 HydrophobicContact CZ-CD1 3.85Å; F761-I765 HydrophobicContact CZ-CG1 3.76Å; F761-I765 WeakPolarHBondContact O-CD1 3.33Å; F761-I765 WeakPolarHBondContact O-CG1 3.32Å; F761-I765 PolarHBondContact O-N 3.09Å; I765-Y767 PolarHBondContact O-N 3.23Å; I765-N768 PolarHBondContact O-N 2.83Å; I765-N768 VanDerWaalsContact O-N 3.16Å; I765-L773 HydrophobicContact CG2-CD2 3.73Å; I765-V800 HydrophobicContact CD1-CB 4.23Å; I765-V800 HydrophobicContact CD1-CG1 3.3Å; I765-V800 HydrophobicContact CD1-CG2 4.15Å; I765-I804 HydrophobicContact CG2-CD1 4.21Å; I765-I804 HydrophobicContact CG2-CG1 3.63Å |
| 766 | A | 71.3 | Confident | 78.9 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -57.4 | -21.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L764 T809 | L764-A766 PolarHBondContact O-N 2.89Å; L764-A766 VanDerWaalsContact O-N 3.07Å; A766-T809 HydrophobicContact CB-CG2 4.33Å; A766-T809 WeakPolarHBondContact O-CB 3.49Å; A766-T809 WeakPolarHBondContact O-CG2 3.22Å; A766-T809 PolarHBondContact O-OG1 2.95Å |
| 767 | Y | 75 | Confident | 79 | Confident | 56 Ų | 56 | 31.2 Ų | 31.2 | 22% | 0.22 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -111.8 | 12.2 | -177.1 | -61.2 | -85.7 | 0 | 0 | 0 | 113.8 | S727 L730 P731 L764 I765 T809 | S727-Y767 PolarHBondContact O-OH 2.99Å; L730-Y767 HydrophobicContact CB-CD1 4.36Å; L730-Y767 HydrophobicContact CB-CD2 3.72Å; L730-Y767 HydrophobicContact CB-CE1 4.46Å; L730-Y767 HydrophobicContact CB-CE2 3.82Å; L730-Y767 HydrophobicContact CB-CG 3.98Å; L730-Y767 HydrophobicContact CD1-CD2 3.67Å; L730-Y767 HydrophobicContact CD1-CE2 3.75Å; L730-Y767 HydrophobicContact CG-CD2 4.26Å; L730-Y767 HydrophobicContact CG-CE2 4.44Å; P731-Y767 HydrophobicContact CB-CE1 4.42Å; P731-Y767 HydrophobicContact CG-CE1 3.72Å; L764-Y767 PolarHBondContact O-N 3.12Å; I765-Y767 PolarHBondContact O-N 3.23Å; Y767-T809 HydrophobicContact CD1-CG2 4.17Å; Y767-T809 HydrophobicContact CE1-CG2 4.02Å |
| 768 | N | 81.6 | Confident | 79 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.011 | 17% | 0.171 | C | C | . | . | trans | -84.9 | 163.8 | -176.1 | -141.3 | 25.9 | 0 | 0 | 0 | 113.1 | I765 E772 L773 Q811 | I765-N768 PolarHBondContact O-N 2.83Å; I765-N768 VanDerWaalsContact O-N 3.16Å; N768-E772 WeakPolarHBondContact ND2-CB 3.42Å; N768-E772 PolarHBondContact ND2-OE2 2.98Å; N768-E772 PolarHBondContact OD1-OE2 3.32Å; N768-L773 HydrophobicContact CB-CD2 4.43Å; N768-Q811 WeakPolarHBondContact O-CB 3.34Å; N768-Q811 WeakPolarHBondContact O-CG 3.49Å | ||
| 769 | S | 78.5 | Confident | 79 | Confident | 48 Ų | 48 | 38 Ų | 38 | 34% | 0.336 | 19% | 0.185 | S | C | . | . | trans | -76.1 | 157.7 | 177.2 | 62.4 | 0 | 0 | 0 | 0 | 112.7 | Q771 E772 L773 | S769-Q771 PolarHBondContact O-N 3.24Å; S769-E772 PolarHBondContact O-N 2.79Å; S769-E772 WeakPolarHBondContact OG-CG 3.47Å; S769-L773 WeakPolarHBondContact O-CG 3.36Å; S769-L773 PolarHBondContact O-N 3.03Å; S769-L773 VanDerWaalsContact O-N 3.08Å | ||
| 770 | V | 77.5 | Confident | 79 | Confident | 21 Ų | 21 | 36.9 Ų | 36.9 | 13% | 0.127 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.5 | -47 | -177.4 | -178.9 | 0 | 0 | 0 | 0 | 112.5 | E772 L773 E774 E814 F815 L818 | V770-E772 VanDerWaalsContact C-N 3.28Å; V770-E772 PolarHBondContact O-N 3.19Å; V770-L773 WeakPolarHBondContact O-CB 3.35Å; V770-L773 PolarHBondContact O-N 3.39Å; V770-L773 VanDerWaalsContact O-N 3.07Å; V770-E774 PolarHBondContact O-N 2.88Å; V770-E774 VanDerWaalsContact O-N 3.1Å; V770-E814 HydrophobicContact CG2-CB 4.12Å; V770-E814 HydrophobicContact CG2-CG 4.06Å; V770-F815 HydrophobicContact CG1-CB 4.18Å; V770-F815 HydrophobicContact CG1-CD2 4.27Å; V770-L818 HydrophobicContact CG1-CD1 4.16Å |
| 771 | Q | 77.3 | Confident | 78.9 | Confident | 145 Ų | 145 | 39.1 Ų | 39.1 | 68% | 0.678 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -59.3 | -36.2 | 178.7 | -66.6 | 176.5 | -8 | 0 | 0 | 113.2 | S769 Q775 | S769-Q771 PolarHBondContact O-N 3.24Å; Q771-Q775 PolarHBondContact O-N 2.97Å |
| 772 | E | 77.4 | Confident | 78.8 | Confident | 26 Ų | 26 | 44.8 Ų | 44.8 | 12% | 0.121 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -76.9 | -32.2 | 178.1 | -66 | -169.5 | 172.6 | 0 | 0 | 111.2 | S739 K743 N768 S769 V770 E774 Q775 I776 | S739-E772 WeakPolarHBondContact CB-OE1 3.28Å; S739-E772 PolarHBondContact OG-OE1 2.97Å; S739-E772 PolarHBondContact OG-OE2 3.22Å; K743-E772 WeakPolarHBondContact CE-OE1 3.35Å; K743-E772 IonicContact NZ-OE1 3.03Å; K743-E772 PolarHBondContact NZ-OE1 3Å; N768-E772 WeakPolarHBondContact ND2-CB 3.42Å; N768-E772 PolarHBondContact ND2-OE2 2.98Å; N768-E772 PolarHBondContact OD1-OE2 3.32Å; S769-E772 PolarHBondContact O-N 2.79Å; S769-E772 WeakPolarHBondContact OG-CG 3.47Å; V770-E772 VanDerWaalsContact C-N 3.28Å; V770-E772 PolarHBondContact O-N 3.19Å; E772-E774 VanDerWaalsContact C-N 3.33Å; E772-E774 PolarHBondContact O-N 3.5Å; E772-Q775 PolarHBondContact O-N 2.94Å; E772-I776 WeakPolarHBondContact O-CB 3.45Å; E772-I776 VanDerWaalsContact O-CD1 3.26Å; E772-I776 WeakPolarHBondContact O-CD1 3.33Å; E772-I776 WeakPolarHBondContact O-CG1 3.24Å; E772-I776 PolarHBondContact O-N 3.5Å |
| 773 | L | 78.7 | Confident | 78.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.9 | -39.9 | 173 | -68 | 173.6 | 0 | 0 | 0 | 111.9 | I765 N768 S769 V770 I776 I777 T812 F815 | I765-L773 HydrophobicContact CG2-CD2 3.73Å; N768-L773 HydrophobicContact CB-CD2 4.43Å; S769-L773 WeakPolarHBondContact O-CG 3.36Å; S769-L773 PolarHBondContact O-N 3.03Å; S769-L773 VanDerWaalsContact O-N 3.08Å; V770-L773 WeakPolarHBondContact O-CB 3.35Å; V770-L773 PolarHBondContact O-N 3.39Å; V770-L773 VanDerWaalsContact O-N 3.07Å; L773-I776 PolarHBondContact O-N 3.27Å; L773-I777 WeakPolarHBondContact O-CB 3.16Å; L773-I777 WeakPolarHBondContact O-CD1 3.33Å; L773-I777 WeakPolarHBondContact O-CG1 3.41Å; L773-I777 PolarHBondContact O-N 3.31Å; L773-T812 HydrophobicContact CD1-CG2 4.17Å; L773-F815 HydrophobicContact CB-CB 4.44Å; L773-F815 HydrophobicContact CB-CD2 3.75Å; L773-F815 HydrophobicContact CB-CE2 4.31Å; L773-F815 HydrophobicContact CB-CG 3.97Å; L773-F815 HydrophobicContact CD1-CB 3.82Å; L773-F815 HydrophobicContact CD1-CG 4.14Å |
| 774 | E | 81.1 | Confident | 78.4 | Confident | 73 Ų | 73 | 44.9 Ų | 44.9 | 34% | 0.341 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.3 | -51.3 | 174.6 | -73.1 | 170 | -159.3 | 0 | 0 | 111.9 | V770 E772 I776 I777 T778 F815 H819 | V770-E774 PolarHBondContact O-N 2.88Å; V770-E774 VanDerWaalsContact O-N 3.1Å; E772-E774 VanDerWaalsContact C-N 3.33Å; E772-E774 PolarHBondContact O-N 3.5Å; E774-I776 VanDerWaalsContact C-N 3.27Å; E774-I776 PolarHBondContact O-N 3.36Å; E774-I777 PolarHBondContact O-N 2.83Å; E774-T778 PolarHBondContact O-N 2.84Å; E774-T778 PolarHBondContact O-OG1 3.13Å; E774-F815 HydrophobicContact CB-CE2 4.34Å; E774-F815 HydrophobicContact CG-CD2 3.97Å; E774-F815 HydrophobicContact CG-CE2 3.59Å; E774-H819 IonicContact OE1-NE2 2.85Å |
| 775 | Q | 80.3 | Confident | 77.9 | Confident | 127 Ų | 127 | 49.7 Ų | 49.7 | 59% | 0.593 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -62.7 | -34.5 | 177.4 | -65.9 | 176.6 | 4.7 | 0 | 0 | 112.6 | Q771 E772 T778 R779 | Q771-Q775 PolarHBondContact O-N 2.97Å; E772-Q775 PolarHBondContact O-N 2.94Å; Q775-T778 PolarHBondContact O-OG1 3.01Å; Q775-R779 WeakPolarHBondContact O-CG 3.2Å; Q775-R779 PolarHBondContact O-N 3.05Å |
| 776 | I | 78.1 | Confident | 77.6 | Confident | 17 Ų | 17 | 53 Ų | 53 | 9% | 0.087 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.9 | -37.2 | 179.3 | -71.8 | 164.5 | 0 | 0 | 0 | 110.7 | T742 F761 E772 L773 E774 R779 I780 | T742-I776 HydrophobicContact CG2-CD1 4.33Å; F761-I776 HydrophobicContact CE1-CG2 3.8Å; F761-I776 HydrophobicContact CE2-CD1 4.19Å; F761-I776 HydrophobicContact CZ-CB 4.42Å; F761-I776 HydrophobicContact CZ-CD1 3.72Å; F761-I776 HydrophobicContact CZ-CG1 3.89Å; F761-I776 HydrophobicContact CZ-CG2 3.62Å; E772-I776 WeakPolarHBondContact O-CB 3.45Å; E772-I776 VanDerWaalsContact O-CD1 3.26Å; E772-I776 WeakPolarHBondContact O-CD1 3.33Å; E772-I776 WeakPolarHBondContact O-CG1 3.24Å; E772-I776 PolarHBondContact O-N 3.5Å; L773-I776 PolarHBondContact O-N 3.27Å; E774-I776 VanDerWaalsContact C-N 3.27Å; E774-I776 PolarHBondContact O-N 3.36Å; I776-R779 WeakPolarHBondContact O-CB 3.43Å; I776-R779 PolarHBondContact O-N 2.72Å; I776-I780 HydrophobicContact CG2-CD1 3.61Å; I776-I780 HydrophobicContact CG2-CG1 4.23Å; I776-I780 WeakPolarHBondContact O-CB 3.36Å; I776-I780 VanDerWaalsContact O-CG1 3.23Å; I776-I780 WeakPolarHBondContact O-CG1 3.2Å; I776-I780 PolarHBondContact O-N 2.82Å |
| 777 | I | 82.1 | Confident | 77.2 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 6% | 0.062 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.9 | -37.6 | -176.8 | -76.1 | 161.9 | 0 | 0 | 0 | 111.9 | L773 E774 I780 N781 I804 F815 M826 | L773-I777 WeakPolarHBondContact O-CB 3.16Å; L773-I777 WeakPolarHBondContact O-CD1 3.33Å; L773-I777 WeakPolarHBondContact O-CG1 3.41Å; L773-I777 PolarHBondContact O-N 3.31Å; E774-I777 PolarHBondContact O-N 2.83Å; I777-I780 PolarHBondContact O-N 3.21Å; I777-N781 WeakPolarHBondContact O-CB 3.3Å; I777-N781 PolarHBondContact O-N 3.15Å; I777-I804 HydrophobicContact CD1-CD1 4.11Å; I777-I804 HydrophobicContact CD1-CG2 3.99Å; I777-I804 HydrophobicContact CG1-CD1 3.86Å; I777-F815 HydrophobicContact CB-CZ 4.49Å; I777-F815 HydrophobicContact CD1-CD1 3.85Å; I777-F815 HydrophobicContact CD1-CD2 4.45Å; I777-F815 HydrophobicContact CD1-CE1 3.02Å; I777-F815 HydrophobicContact CD1-CE2 3.71Å; I777-F815 HydrophobicContact CD1-CZ 2.97Å; I777-F815 HydrophobicContact CG1-CE1 4.5Å; I777-F815 HydrophobicContact CG1-CZ 4.28Å; I777-M826 HydrophobicContact CG2-CE 3.62Å |
| 778 | T | 80.9 | Confident | 76.7 | Confident | 82 Ų | 82 | 64.1 Ų | 64.1 | 50% | 0.503 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 170.5 | 54 | 0 | 0 | 0 | 0 | 110.7 | E774 Q775 I780 N781 E782 | E774-T778 PolarHBondContact O-N 2.84Å; E774-T778 PolarHBondContact O-OG1 3.13Å; Q775-T778 PolarHBondContact O-OG1 3.01Å; T778-I780 PolarHBondContact O-N 3.14Å; T778-N781 WeakPolarHBondContact O-CB 3.48Å; T778-N781 PolarHBondContact O-N 2.88Å; T778-E782 WeakPolarHBondContact O-CG 3.13Å; T778-E782 PolarHBondContact O-N 3.38Å; T778-E782 VanDerWaalsContact O-N 3.07Å |
| 779 | R | 80.5 | Confident | 76.1 | Confident | 90 Ų | 90 | 64.9 Ų | 64.9 | 34% | 0.34 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.3 | -46.2 | 172.4 | -83.7 | -85 | -170.3 | 94.3 | -1.3 | 113.2 | M746 E750 Q775 I776 N781 E782 Y783 | M746-R779 HydrophobicContact CE-CB 4.29Å; E750-R779 IonicContact OE1-CZ 3.97Å; E750-R779 IonicContact OE1-NE 3.41Å; E750-R779 IonicContact OE1-NH1 3.3Å; E750-R779 PolarHBondContact OE1-NH1 2.72Å; E750-R779 IonicContact OE1-NH2 3.8Å; E750-R779 PolarHBondContact OE1-NH2 2.72Å; E750-R779 IonicContact OE2-CZ 3.13Å; E750-R779 IonicContact OE2-NH1 2.86Å; E750-R779 PolarHBondContact OE2-NH1 3.2Å; E750-R779 VanDerWaalsContact OE2-NH1 3.16Å; E750-R779 IonicContact OE2-NH2 2.89Å; Q775-R779 WeakPolarHBondContact O-CG 3.2Å; Q775-R779 PolarHBondContact O-N 3.05Å; I776-R779 WeakPolarHBondContact O-CB 3.43Å; I776-R779 PolarHBondContact O-N 2.72Å; R779-N781 VanDerWaalsContact C-N 3.26Å; R779-N781 PolarHBondContact O-N 3Å; R779-E782 WeakPolarHBondContact O-CB 3.3Å; R779-E782 PolarHBondContact O-N 2.77Å; R779-Y783 HydrophobicContact CB-CE2 4.35Å; R779-Y783 WeakPolarHBondContact O-CD2 3.42Å; R779-Y783 PolarHBondContact O-N 3Å |
| 780 | I | 79.7 | Confident | 75.9 | Confident | 7 Ų | 7 | 65.5 Ų | 65.5 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 177.5 | -76 | 164.5 | 0 | 0 | 0 | 110.6 | I776 I777 T778 Y783 L784 V797 V800 I804 | I776-I780 HydrophobicContact CG2-CD1 3.61Å; I776-I780 HydrophobicContact CG2-CG1 4.23Å; I776-I780 WeakPolarHBondContact O-CB 3.36Å; I776-I780 VanDerWaalsContact O-CG1 3.23Å; I776-I780 WeakPolarHBondContact O-CG1 3.2Å; I776-I780 PolarHBondContact O-N 2.82Å; I777-I780 PolarHBondContact O-N 3.21Å; T778-I780 PolarHBondContact O-N 3.14Å; I780-Y783 PolarHBondContact O-N 3.17Å; I780-L784 HydrophobicContact CG2-CD1 3.71Å; I780-L784 HydrophobicContact CG2-CG 4.26Å; I780-L784 WeakPolarHBondContact O-CB 3.32Å; I780-L784 VanDerWaalsContact O-CG 3.31Å; I780-L784 WeakPolarHBondContact O-CG 3.34Å; I780-L784 PolarHBondContact O-N 3.42Å; I780-V797 HydrophobicContact CB-CG1 4.46Å; I780-V797 HydrophobicContact CG1-CG1 4.41Å; I780-V797 HydrophobicContact CG2-CG1 3.73Å; I780-V800 HydrophobicContact CD1-CG1 3.63Å; I780-V800 HydrophobicContact CG1-CG1 4.49Å; I780-I804 HydrophobicContact CD1-CD1 3.93Å |
| 781 | N | 79.9 | Confident | 75.7 | Confident | 52 Ų | 52 | 71.1 Ų | 71.1 | 28% | 0.278 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 177.6 | -165.1 | 12 | 0 | 0 | 0 | 111.2 | I777 T778 R779 Y783 L784 N785 M826 | I777-N781 WeakPolarHBondContact O-CB 3.3Å; I777-N781 PolarHBondContact O-N 3.15Å; T778-N781 WeakPolarHBondContact O-CB 3.48Å; T778-N781 PolarHBondContact O-N 2.88Å; R779-N781 VanDerWaalsContact C-N 3.26Å; R779-N781 PolarHBondContact O-N 3Å; N781-Y783 PolarHBondContact O-N 3.45Å; N781-L784 PolarHBondContact O-N 3.37Å; N781-N785 WeakPolarHBondContact O-CB 3.28Å; N781-N785 VanDerWaalsContact O-CG 3.26Å; N781-N785 PolarHBondContact O-N 3.32Å; N781-N785 PolarHBondContact O-ND2 3.14Å; N781-N785 PolarHBondContact OD1-ND2 3.25Å; N781-M826 HydrophobicContact CB-CE 3.74Å; N781-M826 HydrophobicContact CB-SD 4.12Å |
| 782 | E | 79.9 | Confident | 75.5 | Confident | 123 Ų | 123 | 68.2 Ų | 68.2 | 58% | 0.575 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -55.9 | -46.7 | 173.9 | -68.2 | 170.8 | 180 | 0 | 0 | 111.9 | T778 R779 N785 D786 | T778-E782 WeakPolarHBondContact O-CG 3.13Å; T778-E782 PolarHBondContact O-N 3.38Å; T778-E782 VanDerWaalsContact O-N 3.07Å; R779-E782 WeakPolarHBondContact O-CB 3.3Å; R779-E782 PolarHBondContact O-N 2.77Å; E782-N785 PolarHBondContact O-N 3.44Å; E782-D786 PolarHBondContact O-N 2.76Å; E782-D786 VanDerWaalsContact O-N 3.16Å |
| 783 | Y | 75.1 | Confident | 75.6 | Confident | 49 Ų | 49 | 67.5 Ų | 67.5 | 19% | 0.192 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.1 | -35.8 | 178.5 | -70 | -61.7 | 0 | 0 | 0 | 114 | M746 E750 R779 I780 N781 N785 D786 L789 | M746-Y783 HydrophobicContact CE-CE2 3.69Å; E750-Y783 WeakPolarHBondContact CG-OH 3.17Å; E750-Y783 PolarHBondContact OE1-OH 3.27Å; R779-Y783 HydrophobicContact CB-CE2 4.35Å; R779-Y783 WeakPolarHBondContact O-CD2 3.42Å; R779-Y783 PolarHBondContact O-N 3Å; I780-Y783 PolarHBondContact O-N 3.17Å; N781-Y783 PolarHBondContact O-N 3.45Å; Y783-N785 VanDerWaalsContact C-N 3.31Å; Y783-D786 PolarHBondContact O-N 2.96Å; Y783-L789 WeakPolarHBondContact O-CD2 3.31Å |
| 784 | L | 72.8 | Confident | 75.7 | Confident | 11 Ų | 11 | 69.7 Ų | 69.7 | 6% | 0.058 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -71 | -31.2 | 179.3 | -72.2 | 173.7 | 0 | 0 | 0 | 111.8 | I780 N781 R794 V797 L830 | I780-L784 HydrophobicContact CG2-CD1 3.71Å; I780-L784 HydrophobicContact CG2-CG 4.26Å; I780-L784 WeakPolarHBondContact O-CB 3.32Å; I780-L784 VanDerWaalsContact O-CG 3.31Å; I780-L784 WeakPolarHBondContact O-CG 3.34Å; I780-L784 PolarHBondContact O-N 3.42Å; N781-L784 PolarHBondContact O-N 3.37Å; L784-R794 HydrophobicContact CD2-CG 4.12Å; L784-V797 HydrophobicContact CD1-CG1 4.18Å; L784-V797 HydrophobicContact CD2-CB 4.03Å; L784-V797 HydrophobicContact CD2-CG1 3.68Å; L784-V797 HydrophobicContact CG-CG1 3.72Å; L784-L830 HydrophobicContact CB-CD2 3.77Å; L784-L830 HydrophobicContact CD1-CD1 3.74Å; L784-L830 HydrophobicContact CD1-CD2 4.23Å |
| 785 | N | 71.3 | Confident | 75.7 | Confident | 102 Ų | 102 | 70.3 Ų | 70.3 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -78 | -19 | 175.5 | -66.7 | -30.5 | 0 | 0 | 0 | 113.2 | N781 E782 Y783 V787 | N781-N785 WeakPolarHBondContact O-CB 3.28Å; N781-N785 VanDerWaalsContact O-CG 3.26Å; N781-N785 PolarHBondContact O-N 3.32Å; N781-N785 PolarHBondContact O-ND2 3.14Å; N781-N785 PolarHBondContact OD1-ND2 3.25Å; E782-N785 PolarHBondContact O-N 3.44Å; Y783-N785 VanDerWaalsContact C-N 3.31Å; N785-V787 PolarHBondContact O-N 3.13Å |
| 786 | D | 70.5 | Confident | 75.9 | Confident | 70 Ų | 70 | 67.2 Ų | 67.2 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | trans | -63.9 | 115.9 | 173.1 | -177.3 | 9.8 | 0 | 0 | 0 | 111.4 | E782 Y783 Q788 L789 R794 | E782-D786 PolarHBondContact O-N 2.76Å; E782-D786 VanDerWaalsContact O-N 3.16Å; Y783-D786 PolarHBondContact O-N 2.96Å; D786-Q788 PolarHBondContact O-N 3.48Å; D786-Q788 WeakPolarHBondContact OD1-CB 3.35Å; D786-Q788 PolarHBondContact OD1-N 2.92Å; D786-L789 PolarHBondContact O-N 3.21Å; D786-R794 PolarHBondContact O-NH2 2.67Å | ||
| 787 | V | 64 | Low | 76.1 | Confident | 111 Ų | 111 | 66.6 Ų | 66.6 | 67% | 0.673 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -29.7 | 179 | -177.3 | 0 | 0 | 0 | 0 | 111 | N785 L789 | N785-V787 PolarHBondContact O-N 3.13Å; V787-L789 VanDerWaalsContact C-N 3.3Å; V787-L789 PolarHBondContact O-N 3.26Å |
| 788 | Q | 64.2 | Low | 76.1 | Confident | 178 Ų | 178 | 66.1 Ų | 66.1 | 83% | 0.832 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -6.3 | -176.6 | -57.9 | -155.6 | 5.4 | 0 | 0 | 114.1 | D786 S790 | D786-Q788 PolarHBondContact O-N 3.48Å; D786-Q788 WeakPolarHBondContact OD1-CB 3.35Å; D786-Q788 PolarHBondContact OD1-N 2.92Å; Q788-S790 PolarHBondContact O-N 2.89Å |
| 789 | L | 69.1 | Low | 76.2 | Confident | 18 Ų | 18 | 66.5 Ų | 66.5 | 9% | 0.094 | 32% | 0.323 | C | S | . | . | trans | -63.4 | 127.6 | -176.5 | -161.2 | 77.7 | 0 | 0 | 0 | 112.6 | Y783 D786 V787 L793 R794 V797 | Y783-L789 WeakPolarHBondContact O-CD2 3.31Å; D786-L789 PolarHBondContact O-N 3.21Å; V787-L789 VanDerWaalsContact C-N 3.3Å; V787-L789 PolarHBondContact O-N 3.26Å; L789-L793 HydrophobicContact CD1-CB 4.44Å; L789-L793 HydrophobicContact CD1-CD2 3.44Å; L789-L793 VanDerWaalsContact CD1-CD2 3.44Å; L789-L793 HydrophobicContact CD1-CG 4.04Å; L789-L793 HydrophobicContact CG-CB 4.27Å; L789-L793 HydrophobicContact CG-CD2 4.16Å; L789-L793 HydrophobicContact CG-CG 4.37Å; L789-R794 HydrophobicContact CD2-CB 3.79Å; L789-R794 HydrophobicContact CD2-CG 4.29Å; L789-R794 PolarHBondContact O-NH1 3.23Å; L789-V797 HydrophobicContact CD2-CG2 4.41Å | ||
| 790 | S | 72.8 | Confident | 76.3 | Confident | 61 Ų | 61 | 62.3 Ų | 62.3 | 43% | 0.427 | 31% | 0.308 | S | S | . | . | trans | -62 | 147.6 | 179.6 | 81.4 | 0 | 0 | 0 | 0 | 112.2 | Q788 L793 R794 | Q788-S790 PolarHBondContact O-N 2.89Å; S790-L793 PolarHBondContact O-N 2.96Å; S790-L793 VanDerWaalsContact O-N 3.15Å; S790-L793 VanDerWaalsContact OG-CB 3.23Å; S790-L793 WeakPolarHBondContact OG-CB 3.43Å; S790-R794 PolarHBondContact O-N 3.15Å | ||
| 791 | K | 73.9 | Confident | 76.4 | Confident | 140 Ų | 140 | 62 Ų | 62 | 61% | 0.609 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -54 | -46 | -179.8 | -63.5 | 176.9 | -175.8 | 172.6 | 0 | 114.8 | L793 K795 | K791-L793 VanDerWaalsContact C-N 3.3Å; K791-K795 WeakPolarHBondContact O-CG 3.42Å; K791-K795 PolarHBondContact O-N 3.36Å |
| 792 | P | 73.8 | Confident | 76.6 | Confident | 83 Ų | 83 | 60.2 Ų | 60.2 | 54% | 0.539 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66 | -37.2 | 178 | 25.1 | -33 | 0 | 0 | 0 | 111.3 | K795 R796 | P792-K795 PolarHBondContact O-N 3.32Å; P792-R796 WeakPolarHBondContact O-CG 3.2Å; P792-R796 PolarHBondContact O-N 2.91Å |
| 793 | L | 79.4 | Confident | 76.5 | Confident | 12 Ų | 12 | 54.5 Ų | 54.5 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.3 | -45.5 | -177.5 | -161.6 | 66.3 | 0 | 0 | 0 | 111.6 | F749 L758 L789 S790 K791 K795 R796 V797 | F749-L793 HydrophobicContact CE2-CD1 3.48Å; F749-L793 VanDerWaalsContact CE2-CD1 3.48Å; F749-L793 HydrophobicContact CE2-CD2 4.2Å; F749-L793 HydrophobicContact CE2-CG 4.28Å; F749-L793 HydrophobicContact CZ-CD1 3.78Å; F749-L793 HydrophobicContact CZ-CD2 3.97Å; F749-L793 HydrophobicContact CZ-CG 4.11Å; L758-L793 HydrophobicContact CD1-CD1 3.46Å; L758-L793 VanDerWaalsContact CD1-CD1 3.46Å; L758-L793 HydrophobicContact CD1-CG 4.19Å; L758-L793 HydrophobicContact CG-CD1 4.42Å; L789-L793 HydrophobicContact CD1-CB 4.44Å; L789-L793 HydrophobicContact CD1-CD2 3.44Å; L789-L793 VanDerWaalsContact CD1-CD2 3.44Å; L789-L793 HydrophobicContact CD1-CG 4.04Å; L789-L793 HydrophobicContact CG-CB 4.27Å; L789-L793 HydrophobicContact CG-CD2 4.16Å; L789-L793 HydrophobicContact CG-CG 4.37Å; S790-L793 PolarHBondContact O-N 2.96Å; S790-L793 VanDerWaalsContact O-N 3.15Å; S790-L793 VanDerWaalsContact OG-CB 3.23Å; S790-L793 WeakPolarHBondContact OG-CB 3.43Å; K791-L793 VanDerWaalsContact C-N 3.3Å; L793-K795 VanDerWaalsContact C-N 3.28Å; L793-K795 PolarHBondContact O-N 3Å; L793-R796 WeakPolarHBondContact O-CA 3.27Å; L793-R796 WeakPolarHBondContact O-CB 3.49Å; L793-R796 PolarHBondContact O-N 3.5Å; L793-V797 WeakPolarHBondContact O-CG2 3.41Å; L793-V797 PolarHBondContact O-N 2.91Å |
| 794 | R | 80.6 | Confident | 76.7 | Confident | 45 Ų | 45 | 52.2 Ų | 52.2 | 17% | 0.17 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -53.6 | -43.2 | 173.1 | -168.9 | 174.8 | -81.8 | 108.6 | -4.4 | 112.5 | L784 D786 L789 S790 R796 V797 C798 P887 | L784-R794 HydrophobicContact CD2-CG 4.12Å; D786-R794 PolarHBondContact O-NH2 2.67Å; L789-R794 HydrophobicContact CD2-CB 3.79Å; L789-R794 HydrophobicContact CD2-CG 4.29Å; L789-R794 PolarHBondContact O-NH1 3.23Å; S790-R794 PolarHBondContact O-N 3.15Å; R794-R796 VanDerWaalsContact C-N 3.3Å; R794-R796 PolarHBondContact O-N 3.25Å; R794-V797 PolarHBondContact O-N 3.5Å; R794-C798 PolarHBondContact O-N 3.3Å; R794-C798 PolarHBondContact O-SG 3.39Å; R794-P887 HydrophobicContact CG-CG 4.22Å |
| 795 | K | 80.9 | Confident | 77 | Confident | 86 Ų | 86 | 51.9 Ų | 51.9 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.6 | -34 | 176.2 | -70.4 | 174.6 | -178.3 | 174.3 | 0 | 112.9 | K791 P792 L793 R799 F885 P887 | K791-K795 WeakPolarHBondContact O-CG 3.42Å; K791-K795 PolarHBondContact O-N 3.36Å; P792-K795 PolarHBondContact O-N 3.32Å; L793-K795 VanDerWaalsContact C-N 3.28Å; L793-K795 PolarHBondContact O-N 3Å; K795-R799 WeakPolarHBondContact O-CG 3.41Å; K795-R799 PolarHBondContact O-N 3.39Å; K795-R799 VanDerWaalsContact O-N 3.16Å; K795-F885 VanDerWaalsContact CE-CE1 3.47Å; K795-P887 HydrophobicContact CG-CB 4.04Å; K795-P887 HydrophobicContact CG-CG 4.01Å |
| 796 | R | 83.8 | Confident | 77.3 | Confident | 62 Ų | 62 | 48.5 Ų | 48.5 | 23% | 0.234 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -74.8 | -42 | 178.6 | -66.7 | -59.9 | -179.9 | 152.2 | 9.3 | 111.6 | P755 L758 E759 P792 L793 R794 C798 R799 V800 | P755-R796 HydrophobicContact CB-CG 4.49Å; L758-R796 HydrophobicContact CB-CB 4.1Å; L758-R796 HydrophobicContact CD1-CB 3.63Å; E759-R796 IonicContact OE1-CZ 3.87Å; E759-R796 IonicContact OE1-NH1 3.19Å; E759-R796 PolarHBondContact OE1-NH1 3.48Å; E759-R796 IonicContact OE1-NH2 2.92Å; E759-R796 PolarHBondContact OE1-NH2 3.38Å; P792-R796 WeakPolarHBondContact O-CG 3.2Å; P792-R796 PolarHBondContact O-N 2.91Å; L793-R796 WeakPolarHBondContact O-CA 3.27Å; L793-R796 WeakPolarHBondContact O-CB 3.49Å; L793-R796 PolarHBondContact O-N 3.5Å; R794-R796 VanDerWaalsContact C-N 3.3Å; R794-R796 PolarHBondContact O-N 3.25Å; R796-C798 VanDerWaalsContact C-N 3.29Å; R796-C798 PolarHBondContact O-N 2.94Å; R796-R799 WeakPolarHBondContact O-CA 3.21Å; R796-R799 WeakPolarHBondContact O-CB 3.38Å; R796-R799 PolarHBondContact O-N 3.2Å; R796-V800 PolarHBondContact O-N 3.01Å |
| 797 | V | 83 | Confident | 77.1 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.5 | -42.3 | 172.1 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | L758 I780 L784 L789 L793 R794 R799 V800 L801 | L758-V797 HydrophobicContact CD1-CG2 3.78Å; I780-V797 HydrophobicContact CB-CG1 4.46Å; I780-V797 HydrophobicContact CG1-CG1 4.41Å; I780-V797 HydrophobicContact CG2-CG1 3.73Å; L784-V797 HydrophobicContact CD1-CG1 4.18Å; L784-V797 HydrophobicContact CD2-CB 4.03Å; L784-V797 HydrophobicContact CD2-CG1 3.68Å; L784-V797 HydrophobicContact CG-CG1 3.72Å; L789-V797 HydrophobicContact CD2-CG2 4.41Å; L793-V797 WeakPolarHBondContact O-CG2 3.41Å; L793-V797 PolarHBondContact O-N 2.91Å; R794-V797 PolarHBondContact O-N 3.5Å; V797-R799 VanDerWaalsContact C-N 3.32Å; V797-R799 PolarHBondContact O-N 3.15Å; V797-V800 WeakPolarHBondContact O-CB 3.49Å; V797-V800 PolarHBondContact O-N 3.41Å; V797-L801 PolarHBondContact O-N 3.02Å |
| 798 | C | 82 | Confident | 77.3 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.6 | -28.5 | 173.2 | -62.9 | 0 | 0 | 0 | 0 | 114.1 | R794 R796 E802 P887 | R794-C798 PolarHBondContact O-N 3.3Å; R794-C798 PolarHBondContact O-SG 3.39Å; R796-C798 VanDerWaalsContact C-N 3.29Å; R796-C798 PolarHBondContact O-N 2.94Å; C798-E802 WeakPolarHBondContact O-CB 3.39Å; C798-E802 PolarHBondContact O-N 3.12Å; C798-P887 HydrophobicContact CB-CB 4.37Å |
| 799 | R | 83.5 | Confident | 77.6 | Confident | 89 Ų | 89 | 36 Ų | 36 | 34% | 0.336 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -74 | -32.6 | 173.5 | -79.5 | -175.8 | 179.7 | -179 | -0.8 | 112.5 | Q762 K795 R796 V797 E802 S803 S890 | Q762-R799 PolarHBondContact NE2-O 3Å; K795-R799 WeakPolarHBondContact O-CG 3.41Å; K795-R799 PolarHBondContact O-N 3.39Å; K795-R799 VanDerWaalsContact O-N 3.16Å; R796-R799 WeakPolarHBondContact O-CA 3.21Å; R796-R799 WeakPolarHBondContact O-CB 3.38Å; R796-R799 PolarHBondContact O-N 3.2Å; V797-R799 VanDerWaalsContact C-N 3.32Å; V797-R799 PolarHBondContact O-N 3.15Å; R799-E802 WeakPolarHBondContact O-CB 3.45Å; R799-E802 PolarHBondContact O-N 3.24Å; R799-S803 PolarHBondContact O-N 3.34Å; R799-S890 WeakPolarHBondContact CG-OG 3.44Å |
| 800 | V | 82.6 | Confident | 77.8 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -48.8 | 169.5 | 159.6 | 0 | 0 | 0 | 0 | 109.3 | F761 Q762 I765 I780 R796 V797 E802 S803 I804 | F761-V800 HydrophobicContact CD1-CG1 4.12Å; F761-V800 HydrophobicContact CD1-CG2 4.14Å; F761-V800 HydrophobicContact CE1-CG1 4.13Å; Q762-V800 HydrophobicContact CB-CG2 4.07Å; I765-V800 HydrophobicContact CD1-CB 4.23Å; I765-V800 HydrophobicContact CD1-CG1 3.3Å; I765-V800 HydrophobicContact CD1-CG2 4.15Å; I780-V800 HydrophobicContact CD1-CG1 3.63Å; I780-V800 HydrophobicContact CG1-CG1 4.49Å; R796-V800 PolarHBondContact O-N 3.01Å; V797-V800 WeakPolarHBondContact O-CB 3.49Å; V797-V800 PolarHBondContact O-N 3.41Å; V800-E802 VanDerWaalsContact C-N 3.3Å; V800-E802 PolarHBondContact O-N 3.39Å; V800-S803 WeakPolarHBondContact O-CB 3.1Å; V800-S803 PolarHBondContact O-N 3.28Å; V800-S803 PolarHBondContact O-OG 3.07Å; V800-I804 PolarHBondContact O-N 3.06Å |
| 801 | L | 82 | Confident | 77.9 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.6 | -40.7 | 174.3 | -173 | 67.4 | 0 | 0 | 0 | 112.3 | V797 S803 I804 C805 I827 | V797-L801 PolarHBondContact O-N 3.02Å; L801-S803 VanDerWaalsContact C-N 3.28Å; L801-S803 PolarHBondContact O-N 3.38Å; L801-I804 PolarHBondContact O-N 3.18Å; L801-C805 PolarHBondContact O-N 3.3Å; L801-C805 PolarHBondContact O-SG 3.12Å; L801-I827 HydrophobicContact CD2-CD1 4.44Å; L801-I827 HydrophobicContact CD2-CG1 4.15Å |
| 802 | E | 82.7 | Confident | 78 | Confident | 13 Ų | 13 | 33.3 Ų | 33.3 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.8 | -39.6 | 172.9 | -179.1 | -174.4 | 160.2 | 0 | 0 | 111.8 | C798 R799 V800 I804 C805 A806 S890 R893 C894 | C798-E802 WeakPolarHBondContact O-CB 3.39Å; C798-E802 PolarHBondContact O-N 3.12Å; R799-E802 WeakPolarHBondContact O-CB 3.45Å; R799-E802 PolarHBondContact O-N 3.24Å; V800-E802 VanDerWaalsContact C-N 3.3Å; V800-E802 PolarHBondContact O-N 3.39Å; E802-I804 VanDerWaalsContact C-N 3.35Å; E802-C805 PolarHBondContact O-N 3.43Å; E802-A806 WeakPolarHBondContact O-CB 3.42Å; E802-A806 PolarHBondContact O-N 3.39Å; E802-S890 VanDerWaalsContact OE2-CB 3.31Å; E802-S890 WeakPolarHBondContact OE2-CB 3.02Å; E802-S890 PolarHBondContact OE2-OG 3.35Å; E802-R893 HydrophobicContact CG-CB 4.11Å; E802-R893 WeakPolarHBondContact OE1-CD 3.45Å; E802-R893 IonicContact OE1-CZ 3.17Å; E802-R893 IonicContact OE1-NE 3.95Å; E802-R893 IonicContact OE1-NH1 2.82Å; E802-R893 PolarHBondContact OE1-NH1 3.37Å; E802-R893 IonicContact OE2-NH1 2.97Å; E802-C894 WeakPolarHBondContact CA-SG 3.21Å |
| 803 | S | 78.3 | Confident | 78.1 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.2 | -32.8 | 178.4 | 79.4 | 0 | 0 | 0 | 0 | 113.4 | R799 V800 L801 | R799-S803 PolarHBondContact O-N 3.34Å; V800-S803 WeakPolarHBondContact O-CB 3.1Å; V800-S803 PolarHBondContact O-N 3.28Å; V800-S803 PolarHBondContact O-OG 3.07Å; L801-S803 VanDerWaalsContact C-N 3.28Å; L801-S803 PolarHBondContact O-N 3.38Å |
| 804 | I | 80.4 | Confident | 78.1 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.6 | -51.9 | 173.8 | -62.2 | 170.2 | 0 | 0 | 0 | 108.9 | I765 I777 I780 V800 L801 E802 A806 G807 F815 L816 | I765-I804 HydrophobicContact CG2-CD1 4.21Å; I765-I804 HydrophobicContact CG2-CG1 3.63Å; I777-I804 HydrophobicContact CD1-CD1 4.11Å; I777-I804 HydrophobicContact CD1-CG2 3.99Å; I777-I804 HydrophobicContact CG1-CD1 3.86Å; I780-I804 HydrophobicContact CD1-CD1 3.93Å; V800-I804 PolarHBondContact O-N 3.06Å; L801-I804 PolarHBondContact O-N 3.18Å; E802-I804 VanDerWaalsContact C-N 3.35Å; I804-A806 PolarHBondContact O-N 2.92Å; I804-G807 PolarHBondContact O-N 3.24Å; I804-G807 VanDerWaalsContact O-N 3.14Å; I804-F815 HydrophobicContact CG2-CD1 4.25Å; I804-F815 HydrophobicContact CG2-CE1 4.39Å; I804-L816 WeakPolarHBondContact O-CD1 3.23Å |
| 805 | C | 78.8 | Confident | 78.1 | Confident | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.034 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.6 | -28.7 | -179.4 | -63.1 | 0 | 0 | 0 | 0 | 112.8 | L801 E802 G807 C894 H897 | L801-C805 PolarHBondContact O-N 3.3Å; L801-C805 PolarHBondContact O-SG 3.12Å; E802-C805 PolarHBondContact O-N 3.43Å; C805-G807 PolarHBondContact O-N 3.29Å; C805-C894 HydrophobicContact CB-CB 4.29Å; C805-H897 HydrophobicContact CB-CB 4.18Å; C805-H897 WeakPolarHBondContact O-CB 3.36Å |
| 806 | A | 76.5 | Confident | 78 | Confident | 30 Ų | 30 | 30.3 Ų | 30.3 | 25% | 0.248 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -24.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E802 I804 S808 | E802-A806 WeakPolarHBondContact O-CB 3.42Å; E802-A806 PolarHBondContact O-N 3.39Å; I804-A806 PolarHBondContact O-N 2.92Å; A806-S808 VanDerWaalsContact C-N 3.33Å; A806-S808 PolarHBondContact O-N 3.17Å |
| 807 | G | 66.2 | Low | 77.6 | Confident | 16 Ų | 16 | 31.5 Ų | 31.5 | 17% | 0.165 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 35.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | I804 C805 T809 T812 | I804-G807 PolarHBondContact O-N 3.24Å; I804-G807 VanDerWaalsContact O-N 3.14Å; C805-G807 PolarHBondContact O-N 3.29Å; G807-T809 PolarHBondContact O-N 2.92Å; G807-T812 VanDerWaalsContact C-OG1 3.28Å; G807-T812 WeakPolarHBondContact CA-OG1 3.47Å |
| 808 | S | 69.3 | Low | 77.5 | Confident | 60 Ų | 60 | 36.7 Ų | 36.7 | 42% | 0.42 | 20% | 0.204 | S | C | . | . | trans | -70.7 | -14.6 | -171.1 | 47.7 | 0 | 0 | 0 | 0 | 114.9 | A806 T812 | A806-S808 VanDerWaalsContact C-N 3.33Å; A806-S808 PolarHBondContact O-N 3.17Å; S808-T812 PolarHBondContact N-OG1 3.14Å | ||
| 809 | T | 70.5 | Confident | 77.3 | Confident | 22 Ų | 22 | 39.2 Ų | 39.2 | 14% | 0.135 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -131.1 | 157.5 | -177.3 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | A766 Y767 G807 Q811 T812 D813 | A766-T809 HydrophobicContact CB-CG2 4.33Å; A766-T809 WeakPolarHBondContact O-CB 3.49Å; A766-T809 WeakPolarHBondContact O-CG2 3.22Å; A766-T809 PolarHBondContact O-OG1 2.95Å; Y767-T809 HydrophobicContact CD1-CG2 4.17Å; Y767-T809 HydrophobicContact CE1-CG2 4.02Å; G807-T809 PolarHBondContact O-N 2.92Å; T809-Q811 PolarHBondContact O-N 2.89Å; T809-T812 PolarHBondContact N-OG1 2.75Å; T809-T812 PolarHBondContact O-N 2.86Å; T809-T812 VanDerWaalsContact O-N 3.17Å; T809-T812 PolarHBondContact O-OG1 3.46Å; T809-T812 WeakPolarHBondContact OG1-CG2 3.39Å; T809-T812 PolarHBondContact OG1-OG1 2.8Å; T809-D813 WeakPolarHBondContact O-CB 3.35Å; T809-D813 PolarHBondContact O-N 3.38Å |
| 810 | S | 73.9 | Confident | 77.3 | Confident | 93 Ų | 93 | 36.3 Ų | 36.3 | 65% | 0.65 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -54.3 | -39.1 | -179.1 | -166 | 0 | 0 | 0 | 0 | 112.9 | D813 E814 | S810-D813 WeakPolarHBondContact O-CB 3.35Å; S810-D813 PolarHBondContact O-N 2.81Å; S810-E814 PolarHBondContact O-N 3.4Å |
| 811 | Q | 73.5 | Confident | 77.2 | Confident | 68 Ų | 68 | 40.7 Ų | 40.7 | 32% | 0.318 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -70.6 | -41.6 | -179.4 | -57 | 96.3 | -21 | 0 | 0 | 112.5 | N768 T809 D813 E814 F815 | N768-Q811 WeakPolarHBondContact O-CB 3.34Å; N768-Q811 WeakPolarHBondContact O-CG 3.49Å; T809-Q811 PolarHBondContact O-N 2.89Å; Q811-D813 PolarHBondContact O-N 2.83Å; Q811-E814 PolarHBondContact O-N 3.23Å; Q811-F815 WeakPolarHBondContact O-CB 3.31Å; Q811-F815 PolarHBondContact O-N 2.78Å |
| 812 | T | 77.1 | Confident | 77.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66 | -31.4 | 175.7 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | L773 G807 S808 T809 L816 | L773-T812 HydrophobicContact CD1-CG2 4.17Å; G807-T812 VanDerWaalsContact C-OG1 3.28Å; G807-T812 WeakPolarHBondContact CA-OG1 3.47Å; S808-T812 PolarHBondContact N-OG1 3.14Å; T809-T812 PolarHBondContact N-OG1 2.75Å; T809-T812 PolarHBondContact O-N 2.86Å; T809-T812 VanDerWaalsContact O-N 3.17Å; T809-T812 PolarHBondContact O-OG1 3.46Å; T809-T812 WeakPolarHBondContact OG1-CG2 3.39Å; T809-T812 PolarHBondContact OG1-OG1 2.8Å; T812-L816 WeakPolarHBondContact O-CB 3.42Å; T812-L816 VanDerWaalsContact O-CG 3.28Å; T812-L816 WeakPolarHBondContact O-CG 3.45Å; T812-L816 PolarHBondContact O-N 3.36Å; T812-L816 VanDerWaalsContact O-N 3.11Å |
| 813 | D | 75.5 | Confident | 77.2 | Confident | 50 Ų | 50 | 44.5 Ų | 44.5 | 27% | 0.267 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.2 | -48.8 | 176 | -164.2 | 31.5 | 0 | 0 | 0 | 111.7 | T809 S810 Q811 L816 N817 R901 | T809-D813 WeakPolarHBondContact O-CB 3.35Å; T809-D813 PolarHBondContact O-N 3.38Å; S810-D813 WeakPolarHBondContact O-CB 3.35Å; S810-D813 PolarHBondContact O-N 2.81Å; Q811-D813 PolarHBondContact O-N 2.83Å; D813-L816 PolarHBondContact O-N 3.26Å; D813-N817 VanDerWaalsContact O-CG 3.28Å; D813-N817 PolarHBondContact O-N 3.19Å; D813-N817 VanDerWaalsContact O-N 3.13Å; D813-N817 PolarHBondContact O-ND2 3.1Å; D813-R901 IonicContact OD1-CZ 2.7Å; D813-R901 IonicContact OD1-NH1 3.88Å; D813-R901 PolarHBondContact OD1-NH1 3.45Å; D813-R901 IonicContact OD1-NH2 2.7Å; D813-R901 PolarHBondContact OD1-NH2 2.6Å; D813-R901 IonicContact OD2-NH1 3.81Å |
| 814 | E | 78.2 | Confident | 77.4 | Confident | 108 Ų | 108 | 44.7 Ų | 44.7 | 51% | 0.505 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 176 | -172.5 | 179.1 | 180 | 0 | 0 | 112.2 | V770 S810 Q811 L816 N817 L818 | V770-E814 HydrophobicContact CG2-CB 4.12Å; V770-E814 HydrophobicContact CG2-CG 4.06Å; S810-E814 PolarHBondContact O-N 3.4Å; Q811-E814 PolarHBondContact O-N 3.23Å; E814-L816 PolarHBondContact O-N 2.97Å; E814-N817 WeakPolarHBondContact O-CB 3.46Å; E814-N817 PolarHBondContact O-N 3.41Å; E814-L818 PolarHBondContact O-N 2.94Å |
| 815 | F | 81.8 | Confident | 77.4 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58 | -47.1 | 176.1 | 171.7 | -87.7 | 0 | 0 | 0 | 112.3 | V770 L773 E774 I777 I804 Q811 N817 L818 H819 V823 | V770-F815 HydrophobicContact CG1-CB 4.18Å; V770-F815 HydrophobicContact CG1-CD2 4.27Å; L773-F815 HydrophobicContact CB-CB 4.44Å; L773-F815 HydrophobicContact CB-CD2 3.75Å; L773-F815 HydrophobicContact CB-CE2 4.31Å; L773-F815 HydrophobicContact CB-CG 3.97Å; L773-F815 HydrophobicContact CD1-CB 3.82Å; L773-F815 HydrophobicContact CD1-CG 4.14Å; E774-F815 HydrophobicContact CB-CE2 4.34Å; E774-F815 HydrophobicContact CG-CD2 3.97Å; E774-F815 HydrophobicContact CG-CE2 3.59Å; I777-F815 HydrophobicContact CB-CZ 4.49Å; I777-F815 HydrophobicContact CD1-CD1 3.85Å; I777-F815 HydrophobicContact CD1-CD2 4.45Å; I777-F815 HydrophobicContact CD1-CE1 3.02Å; I777-F815 HydrophobicContact CD1-CE2 3.71Å; I777-F815 HydrophobicContact CD1-CZ 2.97Å; I777-F815 HydrophobicContact CG1-CE1 4.5Å; I777-F815 HydrophobicContact CG1-CZ 4.28Å; I804-F815 HydrophobicContact CG2-CD1 4.25Å; I804-F815 HydrophobicContact CG2-CE1 4.39Å; Q811-F815 WeakPolarHBondContact O-CB 3.31Å; Q811-F815 PolarHBondContact O-N 2.78Å; F815-N817 PolarHBondContact O-N 3.46Å; F815-L818 PolarHBondContact O-N 2.91Å; F815-L818 VanDerWaalsContact O-N 3.14Å; F815-H819 AromaticContact CD2-CD2 3.93Å; F815-H819 HydrophobicContact CE1-CB 4.04Å; F815-H819 HydrophobicContact CE2-CB 4.12Å; F815-H819 AromaticContact CE2-CD2 3.31Å; F815-H819 WeakPolarHBondContact CE2-CD2 3.49Å; F815-H819 AromaticContact CE2-CG 3.9Å; F815-H819 HydrophobicContact CZ-CB 3.55Å; F815-H819 AromaticContact CZ-CD2 3.69Å; F815-H819 AromaticContact CZ-CG 3.79Å; F815-H819 PolarHBondContact O-N 3.4Å; F815-V823 HydrophobicContact CE1-CG2 4.36Å |
| 816 | L | 77.5 | Confident | 77.5 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.8 | -28.3 | -179.6 | -76.7 | 174.5 | 0 | 0 | 0 | 112.3 | I804 T812 D813 E814 L818 F820 | I804-L816 WeakPolarHBondContact O-CD1 3.23Å; T812-L816 WeakPolarHBondContact O-CB 3.42Å; T812-L816 VanDerWaalsContact O-CG 3.28Å; T812-L816 WeakPolarHBondContact O-CG 3.45Å; T812-L816 PolarHBondContact O-N 3.36Å; T812-L816 VanDerWaalsContact O-N 3.11Å; D813-L816 PolarHBondContact O-N 3.26Å; E814-L816 PolarHBondContact O-N 2.97Å; L816-L818 VanDerWaalsContact C-N 3.35Å; L816-F820 WeakPolarHBondContact O-CA 3.48Å; L816-F820 VanDerWaalsContact O-CB 3.25Å; L816-F820 WeakPolarHBondContact O-CB 3.36Å; L816-F820 PolarHBondContact O-N 2.93Å; L816-F820 VanDerWaalsContact O-N 3.16Å |
| 817 | N | 76.7 | Confident | 77.8 | Confident | 87 Ų | 87 | 49.6 Ų | 49.6 | 47% | 0.465 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.5 | -32.8 | 175.5 | -68.4 | -29.3 | 0 | 0 | 0 | 112.2 | D813 E814 F815 | D813-N817 VanDerWaalsContact O-CG 3.28Å; D813-N817 PolarHBondContact O-N 3.19Å; D813-N817 VanDerWaalsContact O-N 3.13Å; D813-N817 PolarHBondContact O-ND2 3.1Å; E814-N817 WeakPolarHBondContact O-CB 3.46Å; E814-N817 PolarHBondContact O-N 3.41Å; F815-N817 PolarHBondContact O-N 3.46Å |
| 818 | L | 79.5 | Confident | 78.4 | Confident | 114 Ų | 114 | 52 Ų | 52 | 60% | 0.597 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -79.1 | -44 | 178.5 | -65.7 | 171.6 | 0 | 0 | 0 | 112.5 | V770 E814 F815 L816 | V770-L818 HydrophobicContact CG1-CD1 4.16Å; E814-L818 PolarHBondContact O-N 2.94Å; F815-L818 PolarHBondContact O-N 2.91Å; F815-L818 VanDerWaalsContact O-N 3.14Å; L816-L818 VanDerWaalsContact C-N 3.35Å |
| 819 | H | 79.4 | Confident | 78.7 | Confident | 55 Ų | 55 | 51.3 Ų | 51.3 | 26% | 0.255 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -108.5 | 24.7 | -171.8 | -71.1 | -74.3 | 0 | 0 | 0 | 114.4 | E774 F815 N821 D822 V823 | E774-H819 IonicContact OE1-NE2 2.85Å; F815-H819 AromaticContact CD2-CD2 3.93Å; F815-H819 HydrophobicContact CE1-CB 4.04Å; F815-H819 HydrophobicContact CE2-CB 4.12Å; F815-H819 AromaticContact CE2-CD2 3.31Å; F815-H819 WeakPolarHBondContact CE2-CD2 3.49Å; F815-H819 AromaticContact CE2-CG 3.9Å; F815-H819 HydrophobicContact CZ-CB 3.55Å; F815-H819 AromaticContact CZ-CD2 3.69Å; F815-H819 AromaticContact CZ-CG 3.79Å; F815-H819 PolarHBondContact O-N 3.4Å; H819-N821 PolarHBondContact O-N 3.31Å; H819-D822 HydrophobicContact CB-CB 4.46Å; H819-D822 IonicContact CE1-OD2 3.8Å; H819-D822 IonicContact CG-OD2 3.78Å; H819-D822 IonicContact ND1-OD2 2.74Å; H819-D822 PolarHBondContact ND1-OD2 3.39Å; H819-D822 PolarHBondContact O-N 2.88Å; H819-V823 WeakPolarHBondContact O-CG2 3.34Å; H819-V823 PolarHBondContact O-N 2.82Å; H819-V823 VanDerWaalsContact O-N 3.13Å |
| 820 | F | 82.3 | Confident | 78.9 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 13% | 0.127 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.1 | -50.7 | -173 | -171.4 | -111 | 0 | 0 | 0 | 113.6 | L816 V823 I824 L898 R901 L902 | L816-F820 WeakPolarHBondContact O-CA 3.48Å; L816-F820 VanDerWaalsContact O-CB 3.25Å; L816-F820 WeakPolarHBondContact O-CB 3.36Å; L816-F820 PolarHBondContact O-N 2.93Å; L816-F820 VanDerWaalsContact O-N 3.16Å; F820-V823 PolarHBondContact O-N 3.27Å; F820-I824 HydrophobicContact CD1-CD1 3.77Å; F820-I824 HydrophobicContact CE1-CD1 3.25Å; F820-I824 HydrophobicContact CE1-CG1 4.43Å; F820-I824 HydrophobicContact CE2-CD1 4.3Å; F820-I824 HydrophobicContact CG-CD1 4.49Å; F820-I824 HydrophobicContact CZ-CD1 3.54Å; F820-I824 HydrophobicContact CZ-CG1 4.45Å; F820-I824 PolarHBondContact O-N 2.99Å; F820-I824 VanDerWaalsContact O-N 3.14Å; F820-L898 HydrophobicContact CD2-CD2 4.22Å; F820-L898 HydrophobicContact CE2-CB 4.42Å; F820-L898 HydrophobicContact CE2-CD2 3.81Å; F820-R901 HydrophobicContact CD2-CG 4.24Å; F820-R901 HydrophobicContact CE2-CB 3.93Å; F820-R901 HydrophobicContact CE2-CG 3.79Å; F820-L902 HydrophobicContact CE1-CB 4.23Å; F820-L902 HydrophobicContact CE1-CD1 4.07Å; F820-L902 HydrophobicContact CE1-CG 4.16Å; F820-L902 HydrophobicContact CZ-CB 3.82Å; F820-L902 HydrophobicContact CZ-CD1 4.29Å; F820-L902 HydrophobicContact CZ-CG 4.27Å |
| 821 | N | 81.4 | Confident | 78.8 | Confident | 93 Ų | 93 | 48 Ų | 48 | 50% | 0.497 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.9 | -37.1 | -177.4 | -69.6 | -21.9 | 0 | 0 | 0 | 112.1 | H819 V823 I824 H825 | H819-N821 PolarHBondContact O-N 3.31Å; N821-V823 VanDerWaalsContact C-N 3.32Å; N821-V823 PolarHBondContact O-N 3.46Å; N821-I824 PolarHBondContact O-N 3.45Å; N821-H825 PolarHBondContact O-CD2 3.4Å; N821-H825 PolarHBondContact O-N 2.91Å |
| 822 | D | 81.2 | Confident | 78.6 | Confident | 93 Ų | 93 | 50.9 Ų | 50.9 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 177.6 | -59.4 | -26.5 | 0 | 0 | 0 | 111 | H819 H825 M826 | H819-D822 HydrophobicContact CB-CB 4.46Å; H819-D822 IonicContact CE1-OD2 3.8Å; H819-D822 IonicContact CG-OD2 3.78Å; H819-D822 IonicContact ND1-OD2 2.74Å; H819-D822 PolarHBondContact ND1-OD2 3.39Å; H819-D822 PolarHBondContact O-N 2.88Å; D822-H825 PolarHBondContact O-N 3.47Å; D822-M826 VanDerWaalsContact O-CB 3.29Å; D822-M826 WeakPolarHBondContact O-CB 3.34Å; D822-M826 PolarHBondContact O-N 3.15Å |
| 823 | V | 83.1 | Confident | 77.5 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 177.7 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | F815 H819 F820 N821 M826 I827 L898 | F815-V823 HydrophobicContact CE1-CG2 4.36Å; H819-V823 WeakPolarHBondContact O-CG2 3.34Å; H819-V823 PolarHBondContact O-N 2.82Å; H819-V823 VanDerWaalsContact O-N 3.13Å; F820-V823 PolarHBondContact O-N 3.27Å; N821-V823 VanDerWaalsContact C-N 3.32Å; N821-V823 PolarHBondContact O-N 3.46Å; V823-M826 PolarHBondContact O-N 2.98Å; V823-I827 HydrophobicContact CG1-CD1 4.21Å; V823-I827 WeakPolarHBondContact O-CG1 3.43Å; V823-I827 PolarHBondContact O-N 3.29Å; V823-L898 HydrophobicContact CG1-CD1 4.06Å; V823-L898 HydrophobicContact CG1-CD2 4.26Å |
| 824 | I | 81.7 | Confident | 75.9 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 4% | 0.036 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.2 | -50.4 | 174.1 | -74.2 | 173.2 | 0 | 0 | 0 | 110.9 | F820 N821 M826 I827 Y828 L898 L902 F935 M938 F939 | F820-I824 HydrophobicContact CD1-CD1 3.77Å; F820-I824 HydrophobicContact CE1-CD1 3.25Å; F820-I824 HydrophobicContact CE1-CG1 4.43Å; F820-I824 HydrophobicContact CE2-CD1 4.3Å; F820-I824 HydrophobicContact CG-CD1 4.49Å; F820-I824 HydrophobicContact CZ-CD1 3.54Å; F820-I824 HydrophobicContact CZ-CG1 4.45Å; F820-I824 PolarHBondContact O-N 2.99Å; F820-I824 VanDerWaalsContact O-N 3.14Å; N821-I824 PolarHBondContact O-N 3.45Å; I824-M826 VanDerWaalsContact C-N 3.29Å; I824-M826 PolarHBondContact O-N 3.35Å; I824-I827 PolarHBondContact O-N 3Å; I824-Y828 WeakPolarHBondContact O-CB 3.21Å; I824-Y828 PolarHBondContact O-N 2.73Å; I824-L898 HydrophobicContact CG1-CD1 3.92Å; I824-L902 HydrophobicContact CD1-CD1 4.46Å; I824-F935 HydrophobicContact CD1-CD2 4.15Å; I824-F935 HydrophobicContact CD1-CE2 4.34Å; I824-M938 HydrophobicContact CG2-CE 3.56Å; I824-M938 HydrophobicContact CG2-SD 4.16Å; I824-F939 HydrophobicContact CG2-CE2 4.06Å; I824-F939 HydrophobicContact CG2-CZ 4.35Å |
| 825 | H | 80.6 | Confident | 73.8 | Confident | 117 Ų | 117 | 60.5 Ų | 60.5 | 54% | 0.542 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.2 | -36.6 | 178.8 | -76.7 | -58.5 | 0 | 0 | 0 | 112.1 | N821 D822 G829 | N821-H825 PolarHBondContact O-CD2 3.4Å; N821-H825 PolarHBondContact O-N 2.91Å; D822-H825 PolarHBondContact O-N 3.47Å; H825-G829 PolarHBondContact O-N 2.86Å |
| 826 | M | 81.6 | Confident | 71.3 | Confident | 22 Ų | 22 | 65.9 Ų | 65.9 | 11% | 0.108 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.5 | -52.3 | 172.9 | -175.3 | -173.2 | -58.5 | 0 | 0 | 110.9 | I777 N781 D822 V823 I824 Y828 G829 L830 | I777-M826 HydrophobicContact CG2-CE 3.62Å; N781-M826 HydrophobicContact CB-CE 3.74Å; N781-M826 HydrophobicContact CB-SD 4.12Å; D822-M826 VanDerWaalsContact O-CB 3.29Å; D822-M826 WeakPolarHBondContact O-CB 3.34Å; D822-M826 PolarHBondContact O-N 3.15Å; V823-M826 PolarHBondContact O-N 2.98Å; I824-M826 VanDerWaalsContact C-N 3.29Å; I824-M826 PolarHBondContact O-N 3.35Å; M826-Y828 VanDerWaalsContact C-N 3.34Å; M826-Y828 PolarHBondContact O-N 3.24Å; M826-G829 PolarHBondContact O-N 3.37Å; M826-L830 WeakPolarHBondContact O-CG 3.4Å; M826-L830 PolarHBondContact O-N 2.91Å |
| 827 | I | 81.8 | Confident | 69 | Low | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.3 | -41.3 | -179.6 | -67.9 | 179.8 | 0 | 0 | 0 | 111.4 | L801 V823 I824 G829 L830 T831 I891 C894 I895 L898 F939 | L801-I827 HydrophobicContact CD2-CD1 4.44Å; L801-I827 HydrophobicContact CD2-CG1 4.15Å; V823-I827 HydrophobicContact CG1-CD1 4.21Å; V823-I827 WeakPolarHBondContact O-CG1 3.43Å; V823-I827 PolarHBondContact O-N 3.29Å; I824-I827 PolarHBondContact O-N 3Å; I827-G829 VanDerWaalsContact C-N 3.35Å; I827-L830 WeakPolarHBondContact O-CB 3.48Å; I827-L830 PolarHBondContact O-N 2.91Å; I827-T831 PolarHBondContact O-N 3.4Å; I827-T831 VanDerWaalsContact O-N 3.17Å; I827-I891 HydrophobicContact CG2-CG2 4.07Å; I827-C894 HydrophobicContact CD1-CB 3.5Å; I827-C894 VanDerWaalsContact CD1-CB 3.5Å; I827-I895 HydrophobicContact CG2-CD1 4.3Å; I827-I895 HydrophobicContact CG2-CG1 3.88Å; I827-L898 HydrophobicContact CD1-CD1 3.46Å; I827-L898 VanDerWaalsContact CD1-CD1 3.46Å; I827-F939 HydrophobicContact CG2-CE1 3.99Å; I827-F939 HydrophobicContact CG2-CZ 4.19Å |
| 828 | Y | 79.7 | Confident | 66.5 | Low | 67 Ų | 67 | 76 Ų | 76 | 26% | 0.263 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 175.2 | 179.5 | -117.8 | 0 | 0 | 0 | 111.5 | I824 M826 L830 T831 K832 M938 F939 | I824-Y828 WeakPolarHBondContact O-CB 3.21Å; I824-Y828 PolarHBondContact O-N 2.73Å; M826-Y828 VanDerWaalsContact C-N 3.34Å; M826-Y828 PolarHBondContact O-N 3.24Å; Y828-L830 VanDerWaalsContact C-N 3.27Å; Y828-L830 PolarHBondContact O-N 3.07Å; Y828-T831 WeakPolarHBondContact CA-OG1 3.38Å; Y828-T831 PolarHBondContact O-N 3.35Å; Y828-T831 PolarHBondContact O-OG1 3.49Å; Y828-K832 PolarHBondContact O-N 3.24Å; Y828-M938 HydrophobicContact CD1-SD 4.46Å; Y828-M938 HydrophobicContact CD2-CB 4.03Å; Y828-M938 WeakPolarHBondContact CD2-O 3.44Å; Y828-M938 HydrophobicContact CE2-CB 4.22Å; Y828-M938 WeakPolarHBondContact CE2-O 2.92Å; Y828-M938 HydrophobicContact CG-CB 4.42Å; Y828-M938 HydrophobicContact CG-SD 4.45Å; Y828-F939 HydrophobicContact CD2-CE1 4.45Å |
| 829 | G | 76.5 | Confident | 63.9 | Low | 46 Ų | 46 | 76 Ų | 76 | 47% | 0.474 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -55.1 | -39.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H825 M826 I827 T831 K832 | H825-G829 PolarHBondContact O-N 2.86Å; M826-G829 PolarHBondContact O-N 3.37Å; I827-G829 VanDerWaalsContact C-N 3.35Å; G829-T831 VanDerWaalsContact C-N 3.31Å; G829-T831 PolarHBondContact O-N 3.34Å; G829-K832 PolarHBondContact O-N 2.93Å |
| 830 | L | 72.8 | Confident | 61.3 | Low | 34 Ų | 34 | 79.4 Ų | 79.4 | 18% | 0.178 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -69.1 | -25.9 | 175.6 | -62.5 | 171.6 | 0 | 0 | 0 | 113.7 | L784 M826 I827 Y828 | L784-L830 HydrophobicContact CB-CD2 3.77Å; L784-L830 HydrophobicContact CD1-CD1 3.74Å; L784-L830 HydrophobicContact CD1-CD2 4.23Å; M826-L830 WeakPolarHBondContact O-CG 3.4Å; M826-L830 PolarHBondContact O-N 2.91Å; I827-L830 WeakPolarHBondContact O-CB 3.48Å; I827-L830 PolarHBondContact O-N 2.91Å; Y828-L830 VanDerWaalsContact C-N 3.27Å; Y828-L830 PolarHBondContact O-N 3.07Å |
| 831 | T | 73.4 | Confident | 58.4 | Low | 10 Ų | 10 | 84.2 Ų | 84.2 | 6% | 0.061 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -84.7 | -27.1 | 177.1 | 58.3 | 0 | 0 | 0 | 0 | 113 | I827 Y828 G829 W888 I891 E942 | I827-T831 PolarHBondContact O-N 3.4Å; I827-T831 VanDerWaalsContact O-N 3.17Å; Y828-T831 WeakPolarHBondContact CA-OG1 3.38Å; Y828-T831 PolarHBondContact O-N 3.35Å; Y828-T831 PolarHBondContact O-OG1 3.49Å; G829-T831 VanDerWaalsContact C-N 3.31Å; G829-T831 PolarHBondContact O-N 3.34Å; T831-W888 HydrophobicContact CG2-CH2 4.01Å; T831-W888 HydrophobicContact CG2-CZ3 3.93Å; T831-I891 HydrophobicContact CG2-CG2 4.12Å; T831-E942 HydrophobicContact CG2-CG 4.44Å |
| 832 | K | 69.3 | Low | 55.7 | Low | 130 Ų | 130 | 86.5 Ų | 86.5 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -71.8 | 137.8 | 179.1 | -164.6 | 173.5 | -178.5 | 177.6 | 0 | 111 | Y828 G829 | Y828-K832 PolarHBondContact O-N 3.24Å; G829-K832 PolarHBondContact O-N 2.93Å |
| 833 | K | 52.8 | Low | 52.9 | Low | 168 Ų | 168 | 88 Ų | 88 | 73% | 0.73 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 136.5 | 171.5 | -69.8 | 179.7 | -177.7 | 171.6 | 0 | 110.1 | V835 | K833-V835 PolarHBondContact O-N 3.26Š|
| 834 | P | 43 | Very low | 50.1 | Low | 83 Ų | 83 | 92.6 Ų | 92.6 | 54% | 0.539 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 126.5 | 171.5 | 25.6 | -31.8 | 0 | 0 | 0 | 109.6 | T836 F884 | P834-T836 PolarHBondContact O-N 2.84Å; P834-F884 HydrophobicContact CG-CE2 4.23Å; P834-F884 HydrophobicContact CG-CZ 4.33Å |
| 835 | V | 33 | Very low | 47.4 | Very low | 108 Ų | 108 | 100.6 Ų | 100.6 | 66% | 0.655 | 57% | 0.573 | S | S | * | * | trans | -72 | 108.3 | 174.3 | 178.3 | 0 | 0 | 0 | 0 | 107.3 | K833 | K833-V835 PolarHBondContact O-N 3.26Š| ||
| 836 | T | 30.7 | Very low | 44.6 | Very low | 116 Ų | 116 | 100.3 Ų | 100.3 | 71% | 0.712 | 58% | 0.58 | S | S | * | * | trans | -83.2 | 114.6 | 169.7 | 53.7 | 0 | 0 | 0 | 0 | 108.7 | P834 N838 | P834-T836 PolarHBondContact O-N 2.84Å; T836-N838 VanDerWaalsContact C-N 3.3Å; T836-N838 PolarHBondContact O-N 3.1Å | ||
| 837 | N | 27.3 | Very low | 42 | Very low | 149 Ų | 149 | 106.6 Ų | 106.6 | 80% | 0.797 | 61% | 0.614 | S | S | * | * | trans | -66.4 | 73.7 | -178.2 | -65 | -19.8 | 0 | 0 | 0 | 112.9 | ||||
| 838 | N | 24.4 | Very low | 39.3 | Very low | 152 Ų | 152 | 116.7 Ų | 116.7 | 81% | 0.813 | 66% | 0.658 | S | S | * | * | trans | -127.7 | 72.5 | 171.2 | -66.8 | 23.8 | 0 | 0 | 0 | 110 | T836 | T836-N838 VanDerWaalsContact C-N 3.3Å; T836-N838 PolarHBondContact O-N 3.1Å | ||
| 839 | S | 25.6 | Very low | 36.7 | Very low | 115 Ų | 115 | 122.7 Ų | 122.7 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -126 | 98.4 | 149.5 | 73.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 840 | T | 24 | Very low | 34.2 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 78% | 0.779 | 70% | 0.695 | S | S | * | * | trans | -53.8 | 139.3 | 158.9 | 24.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 841 | T | 22.4 | Very low | 31.9 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | 66.2 | 81.9 | 155 | 62.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 842 | V | 24 | Very low | 29.6 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | -126.2 | 132.4 | 129.3 | 178.4 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 843 | T | 24.1 | Very low | 27.7 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | trans | -47.9 | 144.7 | -173.9 | 18.2 | 0 | 0 | 0 | 0 | 114.9 | L845 | T843-L845 PolarHBondContact O-N 3.35Š| ||
| 844 | S | 23.9 | Very low | 26.6 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -41.7 | 116 | 168.4 | 49.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 845 | L | 23.7 | Very low | 26 | Very low | 175 Ų | 175 | 139.3 Ų | 139.3 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | trans | -102.5 | 91.4 | 144.6 | -83.7 | 156 | 0 | 0 | 0 | 106.3 | T843 D847 | T843-L845 PolarHBondContact O-N 3.35Å; L845-D847 PolarHBondContact O-N 3.39Å | ||
| 846 | T | 23.3 | Very low | 25.9 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | trans | -62.7 | 113.5 | 159.5 | 44.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 847 | D | 26.1 | Very low | 25.9 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | -173 | 110.8 | 130.4 | -92 | -23.1 | 0 | 0 | 0 | 110.6 | L845 K849 | L845-D847 PolarHBondContact O-N 3.39Å; D847-K849 PolarHBondContact O-N 3.05Å | ||
| 848 | K | 24.3 | Very low | 26 | Very low | 211 Ų | 211 | 136 Ų | 136 | 92% | 0.917 | 75% | 0.754 | S | S | * | * | trans | -74.1 | 97 | 169.6 | -69.2 | 176.4 | 175.8 | 177.5 | 0 | 108.1 | ||||
| 849 | K | 25.7 | Very low | 26.4 | Very low | 194 Ų | 194 | 134.3 Ų | 134.3 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | -141.6 | 123.9 | 159.3 | -96.1 | 180 | -176.6 | 172.4 | 0 | 112.5 | D847 | D847-K849 PolarHBondContact O-N 3.05Š| ||
| 850 | S | 24.8 | Very low | 26.8 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | trans | 59 | 104.6 | 154.4 | 56.5 | 0 | 0 | 0 | 0 | 119.2 | K852 | S850-K852 PolarHBondContact O-N 3.45Å; S850-K852 VanDerWaalsContact O-N 3.11Å | ||
| 851 | L | 23.8 | Very low | 27.2 | Very low | 181 Ų | 181 | 129.4 Ų | 129.4 | 95% | 0.948 | 70% | 0.702 | S | S | * | * | trans | -42.6 | 107.2 | 139.6 | -82.6 | 68.1 | 0 | 0 | 0 | 109.6 | ||||
| 852 | K | 25.8 | Very low | 27.6 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 70% | 0.704 | 69% | 0.693 | S | S | * | * | trans | -126.7 | 129.1 | 150.7 | -82.8 | -172.1 | 175.8 | -178.1 | 0 | 107.6 | S850 D854 | S850-K852 PolarHBondContact O-N 3.45Å; S850-K852 VanDerWaalsContact O-N 3.11Å; K852-D854 PolarHBondContact O-N 2.83Å | ||
| 853 | T | 28.9 | Very low | 28.1 | Very low | 138 Ų | 138 | 128.7 Ų | 128.7 | 85% | 0.847 | 68% | 0.681 | S | S | * | * | trans | -66.1 | 66 | 178.2 | 43.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 854 | D | 29.6 | Very low | 28.6 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 57% | 0.567 | 67% | 0.666 | S | S | * | * | trans | -79.7 | 128.8 | -179.7 | -68 | -17.2 | 0 | 0 | 0 | 108.2 | K852 N856 | K852-D854 PolarHBondContact O-N 2.83Å; D854-N856 PolarHBondContact O-N 3.43Å | ||
| 855 | N | 31.1 | Very low | 29 | Very low | 135 Ų | 135 | 126.2 Ų | 126.2 | 72% | 0.722 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | 26.2 | -180 | -69.8 | -33.4 | 0 | 0 | 0 | 114.7 | T858 | N855-T858 PolarHBondContact O-OG1 3.01Š|
| 856 | N | 30.3 | Very low | 29.7 | Very low | 89 Ų | 89 | 123.7 Ų | 123.7 | 48% | 0.476 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -92.2 | -9.7 | -178.2 | -61.8 | -13.1 | 0 | 0 | 0 | 111.7 | D854 T860 | D854-N856 PolarHBondContact O-N 3.43Å; N856-T860 VanDerWaalsContact O-CB 3.28Å; N856-T860 WeakPolarHBondContact O-CB 3.39Å; N856-T860 WeakPolarHBondContact O-CG2 3.13Å; N856-T860 PolarHBondContact O-N 2.97Å; N856-T860 PolarHBondContact O-OG1 3.36Å |
| 857 | L | 31.2 | Very low | 30.1 | Very low | 125 Ų | 125 | 122.7 Ų | 122.7 | 65% | 0.654 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70 | -40.1 | 173.3 | -162.4 | 80.8 | 0 | 0 | 0 | 110.7 | T860 I861 | L857-T860 WeakPolarHBondContact CA-OG1 3.47Å; L857-T860 PolarHBondContact O-N 2.92Å; L857-T860 PolarHBondContact O-OG1 3.24Å; L857-I861 HydrophobicContact CD2-CD1 4.12Å; L857-I861 HydrophobicContact CG-CD1 3.92Å; L857-I861 VanDerWaalsContact O-CB 3.22Å; L857-I861 WeakPolarHBondContact O-CB 3.48Å; L857-I861 WeakPolarHBondContact O-CD1 3.41Å; L857-I861 WeakPolarHBondContact O-CG1 2.91Å; L857-I861 PolarHBondContact O-N 2.89Å |
| 858 | T | 29.6 | Very low | 30.4 | Very low | 90 Ų | 90 | 118.8 Ų | 118.8 | 55% | 0.552 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.4 | -39.1 | 175.1 | 48 | 0 | 0 | 0 | 0 | 111.4 | N855 I861 E862 | N855-T858 PolarHBondContact O-OG1 3.01Å; T858-I861 CarbonylContact O-C 3.54Å; T858-I861 PolarHBondContact O-N 3.35Å; T858-E862 WeakPolarHBondContact O-CB 3.44Å; T858-E862 PolarHBondContact O-N 3.12Å |
| 859 | Q | 32.8 | Very low | 31.2 | Very low | 116 Ų | 116 | 111.8 Ų | 111.8 | 54% | 0.542 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.8 | -37 | 172.7 | -74.2 | -174 | -13.3 | 0 | 0 | 112.9 | I861 E862 E863 | Q859-I861 VanDerWaalsContact C-N 3.32Å; Q859-E862 PolarHBondContact O-N 3.41Å; Q859-E863 WeakPolarHBondContact O-CB 3.17Å; Q859-E863 WeakPolarHBondContact O-CG 3.39Å; Q859-E863 PolarHBondContact O-N 3.28Å |
| 860 | T | 32.6 | Very low | 31.9 | Very low | 60 Ų | 60 | 104.4 Ų | 104.4 | 37% | 0.368 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -73.6 | -24 | 172.2 | 47.2 | 0 | 0 | 0 | 0 | 112.3 | N856 L857 K864 | N856-T860 VanDerWaalsContact O-CB 3.28Å; N856-T860 WeakPolarHBondContact O-CB 3.39Å; N856-T860 WeakPolarHBondContact O-CG2 3.13Å; N856-T860 PolarHBondContact O-N 2.97Å; N856-T860 PolarHBondContact O-OG1 3.36Å; L857-T860 WeakPolarHBondContact CA-OG1 3.47Å; L857-T860 PolarHBondContact O-N 2.92Å; L857-T860 PolarHBondContact O-OG1 3.24Å; T860-K864 WeakPolarHBondContact O-CA 3.46Å; T860-K864 WeakPolarHBondContact O-CB 3.29Å; T860-K864 WeakPolarHBondContact O-CG 2.87Å; T860-K864 PolarHBondContact O-N 3.41Å |
| 861 | I | 32.6 | Very low | 32.3 | Very low | 79 Ų | 79 | 103.3 Ų | 103.3 | 41% | 0.405 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -76.4 | -41.5 | 169.4 | -71.5 | 164.6 | 0 | 0 | 0 | 109.8 | L857 T858 Q859 K864 L865 | L857-I861 HydrophobicContact CD2-CD1 4.12Å; L857-I861 HydrophobicContact CG-CD1 3.92Å; L857-I861 VanDerWaalsContact O-CB 3.22Å; L857-I861 WeakPolarHBondContact O-CB 3.48Å; L857-I861 WeakPolarHBondContact O-CD1 3.41Å; L857-I861 WeakPolarHBondContact O-CG1 2.91Å; L857-I861 PolarHBondContact O-N 2.89Å; T858-I861 CarbonylContact O-C 3.54Å; T858-I861 PolarHBondContact O-N 3.35Å; Q859-I861 VanDerWaalsContact C-N 3.32Å; I861-K864 CarbonylContact O-C 3.5Å; I861-K864 PolarHBondContact O-N 3.43Å; I861-L865 HydrophobicContact CG2-CD1 3.52Å; I861-L865 HydrophobicContact CG2-CG 3.8Å; I861-L865 WeakPolarHBondContact O-CA 3.36Å; I861-L865 WeakPolarHBondContact O-CB 3.37Å; I861-L865 WeakPolarHBondContact O-CG 3.33Å; I861-L865 PolarHBondContact O-N 3.32Å |
| 862 | E | 31.1 | Very low | 32.9 | Very low | 128 Ų | 128 | 100.7 Ų | 100.7 | 60% | 0.598 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.2 | -45 | 173.2 | -88.6 | -172.9 | 140.1 | 0 | 0 | 111.5 | T858 Q859 L865 T866 | T858-E862 WeakPolarHBondContact O-CB 3.44Å; T858-E862 PolarHBondContact O-N 3.12Å; Q859-E862 PolarHBondContact O-N 3.41Å; E862-L865 PolarHBondContact O-N 2.93Å; E862-T866 WeakPolarHBondContact O-CB 3.47Å; E862-T866 WeakPolarHBondContact O-CG2 3.25Å; E862-T866 PolarHBondContact O-N 3.13Å; E862-T866 PolarHBondContact O-OG1 3.47Å |
| 863 | E | 34.8 | Very low | 33.5 | Very low | 127 Ų | 127 | 96.6 Ų | 96.6 | 59% | 0.593 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.2 | -43.6 | 169.6 | -79.7 | -173.4 | 151.4 | 0 | 0 | 109.8 | Q859 L865 T866 T867 | Q859-E863 WeakPolarHBondContact O-CB 3.17Å; Q859-E863 WeakPolarHBondContact O-CG 3.39Å; Q859-E863 PolarHBondContact O-N 3.28Å; E863-L865 VanDerWaalsContact C-N 3.35Å; E863-L865 PolarHBondContact O-N 3.09Å; E863-T866 PolarHBondContact O-OG1 3.49Å; E863-T867 VanDerWaalsContact O-CA 3.29Å; E863-T867 WeakPolarHBondContact O-CA 3.03Å; E863-T867 WeakPolarHBondContact O-CB 3.16Å; E863-T867 WeakPolarHBondContact O-CG2 3.16Å; E863-T867 PolarHBondContact O-N 3.39Å; E863-T867 PolarHBondContact O-OG1 3.33Å |
| 864 | K | 35.2 | Very low | 33.6 | Very low | 106 Ų | 106 | 98 Ų | 98 | 46% | 0.461 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72 | -22.2 | 174.9 | -79.8 | -170.5 | 175.4 | -131 | 0 | 114.2 | T860 I861 T867 L868 E872 | T860-K864 WeakPolarHBondContact O-CA 3.46Å; T860-K864 WeakPolarHBondContact O-CB 3.29Å; T860-K864 WeakPolarHBondContact O-CG 2.87Å; T860-K864 PolarHBondContact O-N 3.41Å; I861-K864 CarbonylContact O-C 3.5Å; I861-K864 PolarHBondContact O-N 3.43Å; K864-T867 CarbonylContact O-C 3.6Å; K864-L868 WeakPolarHBondContact O-CA 3.49Å; K864-L868 VanDerWaalsContact O-CD2 3.25Å; K864-L868 WeakPolarHBondContact O-CD2 3.07Å; K864-L868 WeakPolarHBondContact O-CG 3.24Å; K864-L868 PolarHBondContact O-N 2.91Å; K864-E872 IonicContact NZ-OE1 3.33Å; K864-E872 PolarHBondContact NZ-OE1 3.36Å |
| 865 | L | 32.3 | Very low | 33.7 | Very low | 66 Ų | 66 | 100.9 Ų | 100.9 | 35% | 0.346 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -81.8 | -40 | 179.5 | -81.6 | 172.3 | 0 | 0 | 0 | 109.9 | I861 E862 E863 L868 N937 | I861-L865 HydrophobicContact CG2-CD1 3.52Å; I861-L865 HydrophobicContact CG2-CG 3.8Å; I861-L865 WeakPolarHBondContact O-CA 3.36Å; I861-L865 WeakPolarHBondContact O-CB 3.37Å; I861-L865 WeakPolarHBondContact O-CG 3.33Å; I861-L865 PolarHBondContact O-N 3.32Å; E862-L865 PolarHBondContact O-N 2.93Å; E863-L865 VanDerWaalsContact C-N 3.35Å; E863-L865 PolarHBondContact O-N 3.09Å; L865-L868 HydrophobicContact CD2-CD1 4.4Å; L865-N937 WeakPolarHBondContact CD2-ND2 2.98Å |
| 866 | T | 37 | Very low | 33.7 | Very low | 121 Ų | 121 | 96.6 Ų | 96.6 | 74% | 0.742 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -77.9 | -30.4 | 171.9 | 57.1 | 0 | 0 | 0 | 0 | 111.4 | E862 E863 | E862-T866 WeakPolarHBondContact O-CB 3.47Å; E862-T866 WeakPolarHBondContact O-CG2 3.25Å; E862-T866 PolarHBondContact O-N 3.13Å; E862-T866 PolarHBondContact O-OG1 3.47Å; E863-T866 PolarHBondContact O-OG1 3.49Å |
| 867 | T | 32.1 | Very low | 33.5 | Very low | 90 Ų | 90 | 100.3 Ų | 100.3 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110 | 46.9 | 172.7 | 75.9 | 0 | 0 | 0 | 0 | 111.5 | E863 K864 S869 | E863-T867 VanDerWaalsContact O-CA 3.29Å; E863-T867 WeakPolarHBondContact O-CA 3.03Å; E863-T867 WeakPolarHBondContact O-CB 3.16Å; E863-T867 WeakPolarHBondContact O-CG2 3.16Å; E863-T867 PolarHBondContact O-N 3.39Å; E863-T867 PolarHBondContact O-OG1 3.33Å; K864-T867 CarbonylContact O-C 3.6Å; T867-S869 PolarHBondContact O-N 2.96Å |
| 868 | L | 33.9 | Very low | 33.6 | Very low | 74 Ų | 74 | 99.1 Ų | 99.1 | 39% | 0.387 | 53% | 0.529 | S | S | . | . | trans | -67.7 | 76.5 | 167.9 | -88.7 | -179.5 | 0 | 0 | 0 | 108.6 | K864 L865 V870 N937 | K864-L868 WeakPolarHBondContact O-CA 3.49Å; K864-L868 VanDerWaalsContact O-CD2 3.25Å; K864-L868 WeakPolarHBondContact O-CD2 3.07Å; K864-L868 WeakPolarHBondContact O-CG 3.24Å; K864-L868 PolarHBondContact O-N 2.91Å; L865-L868 HydrophobicContact CD2-CD1 4.4Å; L868-V870 VanDerWaalsContact C-N 3.29Å; L868-V870 PolarHBondContact O-N 2.92Å; L868-N937 HydrophobicContact CD1-CB 4.3Å; L868-N937 WeakPolarHBondContact CD1-OD1 3.48Å | ||
| 869 | S | 40.5 | Very low | 33.5 | Very low | 63 Ų | 63 | 102.7 Ų | 102.7 | 44% | 0.441 | 54% | 0.537 | S | S | . | . | trans | -59.5 | 95.1 | 167 | 176.5 | 0 | 0 | 0 | 0 | 106.1 | T867 C871 E872 | T867-S869 PolarHBondContact O-N 2.96Å; S869-C871 PolarHBondContact O-N 3.37Å; S869-C871 WeakPolarHBondContact OG-CA 3.21Å; S869-C871 WeakPolarHBondContact OG-CB 3.49Å; S869-C871 PolarHBondContact OG-N 3.29Å; S869-E872 PolarHBondContact O-N 2.94Å | ||
| 870 | V | 40.6 | Very low | 33.4 | Very low | 39 Ų | 39 | 107.1 Ų | 107.1 | 24% | 0.236 | 56% | 0.555 | C | S | . | * | G | 310 helix | trans | -53.1 | -12.2 | 159.5 | -174.7 | 0 | 0 | 0 | 0 | 110.3 | L868 E872 M873 C1075 L1091 | L868-V870 VanDerWaalsContact C-N 3.29Å; L868-V870 PolarHBondContact O-N 2.92Å; V870-E872 PolarHBondContact O-N 3.38Å; V870-M873 PolarHBondContact O-N 3.28Å; V870-C1075 WeakPolarHBondContact CB-SG 3.2Å; V870-C1075 WeakPolarHBondContact CG1-SG 3.34Å; V870-L1091 HydrophobicContact CG1-CD1 3.39Å; V870-L1091 HydrophobicContact CG1-CD2 4.06Å; V870-L1091 HydrophobicContact CG1-CG 4.33Å |
| 871 | C | 32.7 | Very low | 33.2 | Very low | 75 Ų | 75 | 112 Ų | 112 | 51% | 0.507 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -68.8 | -1.2 | 170.2 | -43.5 | 0 | 0 | 0 | 0 | 115.2 | S869 M873 | S869-C871 PolarHBondContact O-N 3.37Å; S869-C871 WeakPolarHBondContact OG-CA 3.21Å; S869-C871 WeakPolarHBondContact OG-CB 3.49Å; S869-C871 PolarHBondContact OG-N 3.29Å; C871-M873 PolarHBondContact O-N 3.39Å |
| 872 | E | 36.3 | Very low | 33.1 | Very low | 126 Ų | 126 | 112.7 Ų | 112.7 | 59% | 0.589 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -74 | 10 | 165.7 | -78.2 | -159.3 | -158.7 | 0 | 0 | 114 | K864 S869 V870 K874 | K864-E872 IonicContact NZ-OE1 3.33Å; K864-E872 PolarHBondContact NZ-OE1 3.36Å; S869-E872 PolarHBondContact O-N 2.94Å; V870-E872 PolarHBondContact O-N 3.38Å; E872-K874 PolarHBondContact O-N 2.87Å |
| 873 | M | 39.2 | Very low | 33.7 | Very low | 76 Ų | 76 | 114.8 Ų | 114.8 | 37% | 0.374 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -62.6 | 79.6 | 161.5 | -74.8 | -167.6 | 85.3 | 0 | 0 | 110.2 | V870 C871 I875 T945 L1091 | V870-M873 PolarHBondContact O-N 3.28Å; C871-M873 PolarHBondContact O-N 3.39Å; M873-I875 PolarHBondContact O-N 3.07Å; M873-T945 HydrophobicContact CE-CG2 4.1Å; M873-L1091 HydrophobicContact SD-CB 3.86Å; M873-L1091 HydrophobicContact SD-CD1 3.74Å; M873-L1091 HydrophobicContact SD-CD2 4.27Å; M873-L1091 HydrophobicContact SD-CG 4.15Å |
| 874 | K | 31.3 | Very low | 34.2 | Very low | 167 Ų | 167 | 114.5 Ų | 114.5 | 73% | 0.726 | 60% | 0.596 | S | S | * | * | trans | -49.7 | 131.2 | -178.7 | -75.6 | -174.3 | 177.9 | -178.4 | 0 | 111.1 | E872 G876 | E872-K874 PolarHBondContact O-N 2.87Å; K874-G876 PolarHBondContact O-N 3.31Å | ||
| 875 | I | 31.7 | Very low | 35.2 | Very low | 166 Ų | 166 | 115 Ų | 115 | 85% | 0.851 | 60% | 0.599 | S | S | * | * | trans | -39.5 | 89.1 | 173.1 | -57.5 | 101.2 | 0 | 0 | 0 | 111.9 | M873 | M873-I875 PolarHBondContact O-N 3.07Š| ||
| 876 | G | 29.5 | Very low | 37 | Very low | 45 Ų | 45 | 113.8 Ų | 113.8 | 46% | 0.464 | 59% | 0.592 | S | S | . | * | trans | -126.7 | 102.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K874 I1087 | K874-G876 PolarHBondContact O-N 3.31Å; G876-I1087 VanDerWaalsContact O-CD1 3.29Å; G876-I1087 WeakPolarHBondContact O-CD1 3.45Å | ||
| 877 | K | 26.1 | Very low | 39 | Very low | 168 Ų | 168 | 108.8 Ų | 108.8 | 73% | 0.73 | 56% | 0.561 | S | S | * | * | trans | -44.9 | 136.2 | 172.3 | -70.8 | 176.6 | 177.6 | 175.3 | 0 | 109.7 | K879 | K877-K879 HydrophobicContact CB-CG 4.17Å; K877-K879 PolarHBondContact O-N 2.9Å | ||
| 878 | P | 33.6 | Very low | 41.4 | Very low | 100 Ų | 100 | 105.7 Ų | 105.7 | 65% | 0.649 | 54% | 0.54 | S | S | * | . | trans | -74.6 | 63.5 | 174 | 33.3 | -34.5 | 0 | 0 | 0 | 109.5 | K880 | P878-K880 PolarHBondContact O-N 2.93Š| ||
| 879 | K | 27.2 | Very low | 43.9 | Very low | 164 Ų | 164 | 107.2 Ų | 107.2 | 71% | 0.713 | 54% | 0.543 | S | S | * | . | trans | -70.5 | 117.5 | 171.2 | -76.4 | -175.4 | 175.4 | -177.9 | 0 | 106.8 | K877 L881 | K877-K879 HydrophobicContact CB-CG 4.17Å; K877-K879 PolarHBondContact O-N 2.9Å; K879-L881 PolarHBondContact O-N 3Å | ||
| 880 | K | 30.6 | Very low | 46 | Very low | 210 Ų | 210 | 104.7 Ų | 104.7 | 91% | 0.913 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 22 | -175 | -75.3 | -179 | 171.4 | 176.8 | 0 | 116.5 | P878 | P878-K880 PolarHBondContact O-N 2.93Š|
| 881 | L | 28.2 | Very low | 48.1 | Very low | 162 Ų | 162 | 103 Ų | 103 | 85% | 0.848 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.5 | -5.9 | -163.5 | -79.8 | 166.2 | 0 | 0 | 0 | 118.4 | K879 | K879-L881 PolarHBondContact O-N 3Š|
| 882 | S | 32.1 | Very low | 50.6 | Low | 94 Ų | 94 | 99.5 Ų | 99.5 | 66% | 0.657 | 49% | 0.492 | S | S | * | . | trans | -163.6 | 40.7 | 178.9 | 55.7 | 0 | 0 | 0 | 0 | 114.8 | F884 | S882-F884 VanDerWaalsContact C-N 3.28Å; S882-F884 PolarHBondContact O-N 3.33Å | ||
| 883 | Q | 42.2 | Very low | 52.9 | Low | 171 Ų | 171 | 97 Ų | 97 | 80% | 0.799 | 48% | 0.477 | S | S | * | . | trans | -63.5 | 97.6 | 166.4 | -162.3 | 172.1 | 7.2 | 0 | 0 | 107.2 | F885 | Q883-F885 PolarHBondContact O-N 3.36Š| ||
| 884 | F | 45.1 | Very low | 55.1 | Low | 121 Ų | 121 | 93.5 Ų | 93.5 | 53% | 0.531 | 46% | 0.459 | S | S | . | . | trans | -40.5 | 118.4 | 167.7 | -80.6 | -92.8 | 0 | 0 | 0 | 107 | P834 S882 I886 | P834-F884 HydrophobicContact CG-CE2 4.23Å; P834-F884 HydrophobicContact CG-CZ 4.33Å; S882-F884 VanDerWaalsContact C-N 3.28Å; S882-F884 PolarHBondContact O-N 3.33Å; F884-I886 PolarHBondContact O-N 3.42Å | ||
| 885 | F | 57.2 | Low | 57.8 | Low | 117 Ų | 117 | 85.6 Ų | 85.6 | 51% | 0.513 | 43% | 0.425 | S | S | . | . | trans | -77.8 | 80.1 | -168.1 | -159.8 | -81.7 | 0 | 0 | 0 | 108.5 | K795 Q883 P887 | K795-F885 VanDerWaalsContact CE-CE1 3.47Å; Q883-F885 PolarHBondContact O-N 3.36Å; F885-P887 VanDerWaalsContact O-CD 3.23Å; F885-P887 WeakPolarHBondContact O-CD 3.12Å | ||
| 886 | I | 70.3 | Confident | 60.3 | Low | 41 Ų | 41 | 80.4 Ų | 80.4 | 21% | 0.21 | 40% | 0.397 | C | S | . | . | trans | -65.6 | 120.9 | 178.4 | -63.1 | 166.5 | 0 | 0 | 0 | 108.1 | F884 W888 I891 | F884-I886 PolarHBondContact O-N 3.42Å; I886-W888 HydrophobicContact CD1-CZ2 4.19Å; I886-W888 HydrophobicContact CG2-CD2 3.81Å; I886-W888 HydrophobicContact CG2-CE3 4.26Å; I886-W888 HydrophobicContact CG2-CG 4.14Å; I886-W888 HydrophobicContact CG2-CZ2 4.18Å; I886-W888 PolarHBondContact O-N 3.04Å; I886-I891 HydrophobicContact CG2-CD1 3.42Å; I886-I891 VanDerWaalsContact CG2-CD1 3.42Å | ||
| 887 | P | 78.2 | Confident | 62.9 | Low | 15 Ų | 15 | 80.2 Ų | 80.2 | 10% | 0.097 | 38% | 0.384 | C | S | . | . | trans | -71.5 | 63.8 | 177 | -21.9 | 36.8 | 0 | 0 | 0 | 113.5 | R794 K795 C798 F885 K889 S890 I891 | R794-P887 HydrophobicContact CG-CG 4.22Å; K795-P887 HydrophobicContact CG-CB 4.04Å; K795-P887 HydrophobicContact CG-CG 4.01Å; C798-P887 HydrophobicContact CB-CB 4.37Å; F885-P887 VanDerWaalsContact O-CD 3.23Å; F885-P887 WeakPolarHBondContact O-CD 3.12Å; P887-K889 PolarHBondContact O-N 3.11Å; P887-S890 PolarHBondContact O-N 3.28Å; P887-S890 VanDerWaalsContact O-N 3.09Å; P887-I891 PolarHBondContact O-N 3.33Å; P887-I891 VanDerWaalsContact O-N 3.17Å | ||
| 888 | W | 83.5 | Confident | 65.7 | Low | 25 Ų | 25 | 72.3 Ų | 72.3 | 10% | 0.095 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -50.4 | -30.5 | -172.1 | -75.9 | 116.6 | 0 | 0 | 0 | 115.3 | T831 I886 I891 L892 E942 C946 E949 V954 | T831-W888 HydrophobicContact CG2-CH2 4.01Å; T831-W888 HydrophobicContact CG2-CZ3 3.93Å; I886-W888 HydrophobicContact CD1-CZ2 4.19Å; I886-W888 HydrophobicContact CG2-CD2 3.81Å; I886-W888 HydrophobicContact CG2-CE3 4.26Å; I886-W888 HydrophobicContact CG2-CG 4.14Å; I886-W888 HydrophobicContact CG2-CZ2 4.18Å; I886-W888 PolarHBondContact O-N 3.04Å; W888-I891 HydrophobicContact CE3-CG2 4.35Å; W888-I891 HydrophobicContact CZ3-CG2 4.49Å; W888-L892 HydrophobicContact CB-CD1 4.42Å; W888-L892 HydrophobicContact CE3-CD2 4.28Å; W888-L892 HydrophobicContact CE3-CG 4.14Å; W888-L892 WeakPolarHBondContact O-CB 3.05Å; W888-L892 WeakPolarHBondContact O-CG 3.37Å; W888-L892 PolarHBondContact O-N 3.11Å; W888-E942 HydrophobicContact CH2-CB 3.96Å; W888-E942 HydrophobicContact CH2-CG 4.26Å; W888-E942 HydrophobicContact CZ3-CB 4.32Å; W888-C946 WeakPolarHBondContact CZ3-SG 3.11Å; W888-E949 PolarHBondContact NE1-OE1 2.87Å; W888-E949 VanDerWaalsContact NE1-OE1 3.11Å; W888-V954 HydrophobicContact CB-CG1 4Å; W888-V954 HydrophobicContact CB-CG2 4.09Å |
| 889 | K | 86.1 | Confident | 68.2 | Low | 107 Ų | 107 | 67.8 Ų | 67.8 | 47% | 0.465 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.5 | -50 | 178.8 | -65.2 | -175.4 | -175.6 | -177.6 | 0 | 112.9 | P887 R893 T953 V954 | P887-K889 PolarHBondContact O-N 3.11Å; K889-R893 VanDerWaalsContact O-CG 3.26Å; K889-R893 WeakPolarHBondContact O-CG 3.36Å; K889-R893 PolarHBondContact O-N 2.97Å; K889-T953 VanDerWaalsContact CE-OG1 3.31Å; K889-T953 WeakPolarHBondContact CE-OG1 3.38Å; K889-V954 HydrophobicContact CG-CG2 3.96Å |
| 890 | S | 83.9 | Confident | 71 | Confident | 10 Ų | 10 | 64.1 Ų | 64.1 | 7% | 0.07 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -76.4 | -38.1 | 179.9 | -71.2 | 0 | 0 | 0 | 0 | 110.3 | R799 E802 P887 R893 C894 | R799-S890 WeakPolarHBondContact CG-OG 3.44Å; E802-S890 VanDerWaalsContact OE2-CB 3.31Å; E802-S890 WeakPolarHBondContact OE2-CB 3.02Å; E802-S890 PolarHBondContact OE2-OG 3.35Å; P887-S890 PolarHBondContact O-N 3.28Å; P887-S890 VanDerWaalsContact O-N 3.09Å; S890-R893 WeakPolarHBondContact O-CB 3.41Å; S890-R893 PolarHBondContact O-N 2.62Å; S890-R893 VanDerWaalsContact O-N 3.15Å; S890-C894 PolarHBondContact O-N 3.4Å; S890-C894 PolarHBondContact O-SG 3.23Å |
| 891 | I | 85.4 | Confident | 73.5 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 177.4 | -69.2 | 167.7 | 0 | 0 | 0 | 111.8 | I827 T831 I886 P887 W888 R893 C894 I895 | I827-I891 HydrophobicContact CG2-CG2 4.07Å; T831-I891 HydrophobicContact CG2-CG2 4.12Å; I886-I891 HydrophobicContact CG2-CD1 3.42Å; I886-I891 VanDerWaalsContact CG2-CD1 3.42Å; P887-I891 PolarHBondContact O-N 3.33Å; P887-I891 VanDerWaalsContact O-N 3.17Å; W888-I891 HydrophobicContact CE3-CG2 4.35Å; W888-I891 HydrophobicContact CZ3-CG2 4.49Å; I891-R893 PolarHBondContact O-N 2.87Å; I891-C894 WeakPolarHBondContact O-CB 3.13Å; I891-C894 PolarHBondContact O-N 3.11Å; I891-C894 VanDerWaalsContact O-N 3.11Å; I891-I895 HydrophobicContact CG2-CD1 3.82Å; I891-I895 HydrophobicContact CG2-CG1 4.37Å; I891-I895 VanDerWaalsContact O-CG1 3.31Å; I891-I895 WeakPolarHBondContact O-CG1 3.32Å; I891-I895 PolarHBondContact O-N 3.41Å |
| 892 | L | 85.2 | Confident | 76.1 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.6 | -29.4 | 176.7 | -71.3 | 171.8 | 0 | 0 | 0 | 112.3 | W888 I895 Q896 C946 V954 L957 A958 L961 | W888-L892 HydrophobicContact CB-CD1 4.42Å; W888-L892 HydrophobicContact CE3-CD2 4.28Å; W888-L892 HydrophobicContact CE3-CG 4.14Å; W888-L892 WeakPolarHBondContact O-CB 3.05Å; W888-L892 WeakPolarHBondContact O-CG 3.37Å; W888-L892 PolarHBondContact O-N 3.11Å; L892-I895 HydrophobicContact CD2-CD1 4.28Å; L892-Q896 VanDerWaalsContact O-CB 3.29Å; L892-Q896 WeakPolarHBondContact O-CB 3.02Å; L892-Q896 PolarHBondContact O-N 3.37Å; L892-C946 HydrophobicContact CD1-CB 4.43Å; L892-V954 HydrophobicContact CD1-CB 4.43Å; L892-V954 HydrophobicContact CD1-CG1 3.65Å; L892-L957 HydrophobicContact CB-CB 4.17Å; L892-L957 HydrophobicContact CB-CD1 4.31Å; L892-L957 HydrophobicContact CD1-CB 4.04Å; L892-A958 HydrophobicContact CD1-CB 4.41Å; L892-L961 HydrophobicContact CB-CD1 4.4Å; L892-L961 HydrophobicContact CD2-CD1 3.77Å |
| 893 | R | 85.1 | Confident | 78.4 | Confident | 74 Ų | 74 | 45.4 Ų | 45.4 | 28% | 0.279 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -71.1 | -42.3 | 172.1 | -72.4 | 175.4 | -178.7 | -167.5 | -8.8 | 111.5 | E802 K889 S890 I891 I895 Q896 H897 L957 | E802-R893 HydrophobicContact CG-CB 4.11Å; E802-R893 WeakPolarHBondContact OE1-CD 3.45Å; E802-R893 IonicContact OE1-CZ 3.17Å; E802-R893 IonicContact OE1-NE 3.95Å; E802-R893 IonicContact OE1-NH1 2.82Å; E802-R893 PolarHBondContact OE1-NH1 3.37Å; E802-R893 IonicContact OE2-NH1 2.97Å; K889-R893 VanDerWaalsContact O-CG 3.26Å; K889-R893 WeakPolarHBondContact O-CG 3.36Å; K889-R893 PolarHBondContact O-N 2.97Å; S890-R893 WeakPolarHBondContact O-CB 3.41Å; S890-R893 PolarHBondContact O-N 2.62Å; S890-R893 VanDerWaalsContact O-N 3.15Å; I891-R893 PolarHBondContact O-N 2.87Å; R893-I895 VanDerWaalsContact C-N 3.34Å; R893-I895 PolarHBondContact O-N 2.78Å; R893-Q896 WeakPolarHBondContact O-CB 3.22Å; R893-Q896 PolarHBondContact O-N 3.49Å; R893-Q896 VanDerWaalsContact O-N 3.16Å; R893-H897 PolarHBondContact O-CD2 2.78Å; R893-H897 PolarHBondContact O-N 3.14Å; R893-L957 HydrophobicContact CG-CD1 4.26Å |
| 894 | C | 85.2 | Confident | 80.2 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.7 | -48.5 | 171.5 | -59.1 | 0 | 0 | 0 | 0 | 110.7 | E802 C805 I827 S890 I891 Q896 H897 L898 | E802-C894 WeakPolarHBondContact CA-SG 3.21Å; C805-C894 HydrophobicContact CB-CB 4.29Å; I827-C894 HydrophobicContact CD1-CB 3.5Å; I827-C894 VanDerWaalsContact CD1-CB 3.5Å; S890-C894 PolarHBondContact O-N 3.4Å; S890-C894 PolarHBondContact O-SG 3.23Å; I891-C894 WeakPolarHBondContact O-CB 3.13Å; I891-C894 PolarHBondContact O-N 3.11Å; I891-C894 VanDerWaalsContact O-N 3.11Å; C894-Q896 VanDerWaalsContact C-N 3.27Å; C894-Q896 PolarHBondContact O-N 2.92Å; C894-H897 PolarHBondContact O-N 3.34Å; C894-H897 VanDerWaalsContact O-N 3.13Å; C894-L898 WeakPolarHBondContact O-CG 3.41Å; C894-L898 PolarHBondContact O-N 3.41Å |
| 895 | I | 87 | Confident | 81.8 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.5 | -42.2 | 175.3 | -65.8 | 167.6 | 0 | 0 | 0 | 110.3 | I827 I891 L892 R893 L898 F899 F935 F939 L961 | I827-I895 HydrophobicContact CG2-CD1 4.3Å; I827-I895 HydrophobicContact CG2-CG1 3.88Å; I891-I895 HydrophobicContact CG2-CD1 3.82Å; I891-I895 HydrophobicContact CG2-CG1 4.37Å; I891-I895 VanDerWaalsContact O-CG1 3.31Å; I891-I895 WeakPolarHBondContact O-CG1 3.32Å; I891-I895 PolarHBondContact O-N 3.41Å; L892-I895 HydrophobicContact CD2-CD1 4.28Å; R893-I895 VanDerWaalsContact C-N 3.34Å; R893-I895 PolarHBondContact O-N 2.78Å; I895-L898 PolarHBondContact O-N 3.3Å; I895-F899 WeakPolarHBondContact O-CB 3.49Å; I895-F899 PolarHBondContact O-N 3.35Å; I895-F935 HydrophobicContact CG2-CE1 4.38Å; I895-F935 HydrophobicContact CG2-CZ 3.92Å; I895-F939 HydrophobicContact CD1-CD1 3.7Å; I895-F939 HydrophobicContact CD1-CE1 3.88Å; I895-F939 HydrophobicContact CD1-CG 4.46Å; I895-F939 HydrophobicContact CG1-CD1 4.12Å; I895-F939 HydrophobicContact CG1-CE1 3.99Å; I895-F939 HydrophobicContact CG1-CZ 4.42Å; I895-F939 HydrophobicContact CG2-CG 4.36Å; I895-L961 HydrophobicContact CB-CD1 4.43Å; I895-L961 HydrophobicContact CG2-CD1 3.96Å; I895-L961 HydrophobicContact CG2-CD2 4.14Å |
| 896 | Q | 85.1 | Confident | 82.8 | Confident | 58 Ų | 58 | 30.7 Ų | 30.7 | 27% | 0.271 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -64.3 | -40.8 | 176.8 | -172.9 | -178.7 | -3.5 | 0 | 0 | 112.9 | L892 R893 C894 K900 L961 | L892-Q896 VanDerWaalsContact O-CB 3.29Å; L892-Q896 WeakPolarHBondContact O-CB 3.02Å; L892-Q896 PolarHBondContact O-N 3.37Å; R893-Q896 WeakPolarHBondContact O-CB 3.22Å; R893-Q896 PolarHBondContact O-N 3.49Å; R893-Q896 VanDerWaalsContact O-N 3.16Å; C894-Q896 VanDerWaalsContact C-N 3.27Å; C894-Q896 PolarHBondContact O-N 2.92Å; Q896-K900 WeakPolarHBondContact O-CB 3.43Å; Q896-K900 PolarHBondContact O-N 3.39Å; Q896-L961 HydrophobicContact CB-CD2 3.95Å; Q896-L961 HydrophobicContact CG-CD2 4.3Å |
| 897 | H | 84.5 | Confident | 82.9 | Confident | 41 Ų | 41 | 30.7 Ų | 30.7 | 19% | 0.19 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68 | -44 | 176.6 | -73 | -65 | 0 | 0 | 0 | 112 | C805 R893 C894 K900 R901 | C805-H897 HydrophobicContact CB-CB 4.18Å; C805-H897 WeakPolarHBondContact O-CB 3.36Å; R893-H897 PolarHBondContact O-CD2 2.78Å; R893-H897 PolarHBondContact O-N 3.14Å; C894-H897 PolarHBondContact O-N 3.34Å; C894-H897 VanDerWaalsContact O-N 3.13Å; H897-K900 WeakPolarHBondContact O-CB 3.34Å; H897-K900 PolarHBondContact O-N 2.52Å; H897-R901 PolarHBondContact O-N 3.23Å |
| 898 | L | 84.8 | Confident | 82.7 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.9 | -43.6 | 176.7 | -67.2 | 177.4 | 0 | 0 | 0 | 112.1 | F820 V823 I824 I827 C894 I895 K900 R901 L902 | F820-L898 HydrophobicContact CD2-CD2 4.22Å; F820-L898 HydrophobicContact CE2-CB 4.42Å; F820-L898 HydrophobicContact CE2-CD2 3.81Å; V823-L898 HydrophobicContact CG1-CD1 4.06Å; V823-L898 HydrophobicContact CG1-CD2 4.26Å; I824-L898 HydrophobicContact CG1-CD1 3.92Å; I827-L898 HydrophobicContact CD1-CD1 3.46Å; I827-L898 VanDerWaalsContact CD1-CD1 3.46Å; C894-L898 WeakPolarHBondContact O-CG 3.41Å; C894-L898 PolarHBondContact O-N 3.41Å; I895-L898 PolarHBondContact O-N 3.3Å; L898-K900 VanDerWaalsContact C-N 3.27Å; L898-K900 PolarHBondContact O-N 2.77Å; L898-R901 PolarHBondContact O-N 2.78Å; L898-L902 WeakPolarHBondContact O-CB 3.33Å; L898-L902 PolarHBondContact O-N 3.23Å |
| 899 | F | 86.3 | Confident | 82.1 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.5 | -44 | 173.4 | 179.6 | -110.6 | 0 | 0 | 0 | 110.5 | I895 R901 L902 V903 L932 F935 L961 L965 S968 W975 | I895-F899 WeakPolarHBondContact O-CB 3.49Å; I895-F899 PolarHBondContact O-N 3.35Å; F899-R901 VanDerWaalsContact C-N 3.34Å; F899-R901 PolarHBondContact O-N 3.19Å; F899-L902 PolarHBondContact O-N 3.33Å; F899-V903 HydrophobicContact CD1-CG2 4.41Å; F899-V903 HydrophobicContact CD2-CG2 4.1Å; F899-V903 HydrophobicContact CE1-CG2 4.05Å; F899-V903 HydrophobicContact CE2-CG2 3.72Å; F899-V903 HydrophobicContact CG-CG2 4.45Å; F899-V903 HydrophobicContact CZ-CG2 3.7Å; F899-V903 WeakPolarHBondContact O-CB 3.44Å; F899-V903 WeakPolarHBondContact O-CG2 3.25Å; F899-V903 PolarHBondContact O-N 3.44Å; F899-L932 HydrophobicContact CE2-CD2 4.24Å; F899-F935 HydrophobicContact CB-CE1 3.81Å; F899-F935 HydrophobicContact CB-CZ 3.72Å; F899-F935 AromaticContact CD2-CD1 3.76Å; F899-F935 HydrophobicContact CD2-CD1 3.76Å; F899-F935 AromaticContact CD2-CE1 3.43Å; F899-F935 HydrophobicContact CD2-CE1 3.43Å; F899-F935 VanDerWaalsContact CD2-CE1 3.43Å; F899-F935 HydrophobicContact CD2-CZ 4.15Å; F899-F935 HydrophobicContact CE2-CD1 4.4Å; F899-F935 HydrophobicContact CE2-CE1 4.38Å; F899-F935 HydrophobicContact CG-CE1 4.01Å; F899-F935 HydrophobicContact CG-CZ 4.41Å; F899-L961 HydrophobicContact CB-CD2 4.4Å; F899-L961 HydrophobicContact CD1-CD2 4.39Å; F899-L965 HydrophobicContact CE2-CD1 4.34Å; F899-S968 WeakPolarHBondContact CZ-OG 3.47Å; F899-W975 HydrophobicContact CD1-CZ2 4.38Å; F899-W975 HydrophobicContact CE1-CZ2 4.43Å |
| 900 | K | 84.7 | Confident | 81.1 | Confident | 88 Ų | 88 | 32.2 Ų | 32.2 | 38% | 0.383 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -58.1 | -46.7 | 175.5 | 167.4 | 157.5 | -170.7 | 178.1 | 0 | 112 | Q896 H897 L898 T904 W975 | Q896-K900 WeakPolarHBondContact O-CB 3.43Å; Q896-K900 PolarHBondContact O-N 3.39Å; H897-K900 WeakPolarHBondContact O-CB 3.34Å; H897-K900 PolarHBondContact O-N 2.52Å; L898-K900 VanDerWaalsContact C-N 3.27Å; L898-K900 PolarHBondContact O-N 2.77Å; K900-T904 WeakPolarHBondContact O-CG2 3.37Å; K900-T904 PolarHBondContact O-N 2.92Å; K900-T904 PolarHBondContact O-OG1 3.35Å; K900-W975 HydrophobicContact CB-CD2 4.31Å; K900-W975 HydrophobicContact CB-CE3 4.37Å; K900-W975 HydrophobicContact CB-CH2 3.75Å; K900-W975 HydrophobicContact CB-CZ2 3.69Å; K900-W975 HydrophobicContact CB-CZ3 4.1Å; K900-W975 HydrophobicContact CD-CD2 3.78Å; K900-W975 HydrophobicContact CD-CE3 3.46Å; K900-W975 VanDerWaalsContact CD-CE3 3.46Å; K900-W975 HydrophobicContact CD-CG 4.46Å; K900-W975 HydrophobicContact CD-CH2 4.28Å; K900-W975 HydrophobicContact CD-CZ3 3.73Å; K900-W975 HydrophobicContact CG-CD2 4.1Å; K900-W975 HydrophobicContact CG-CE3 3.71Å; K900-W975 HydrophobicContact CG-CH2 3.57Å; K900-W975 HydrophobicContact CG-CZ2 3.99Å; K900-W975 HydrophobicContact CG-CZ3 3.42Å; K900-W975 VanDerWaalsContact CG-CZ3 3.42Å; K900-W975 VanDerWaalsContact O-CH2 3.28Å; K900-W975 WeakPolarHBondContact O-CH2 3.45Å |
| 901 | R | 82.5 | Confident | 80.2 | Confident | 56 Ų | 56 | 35.6 Ų | 35.6 | 21% | 0.211 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.1 | -45.7 | 177.3 | -177.2 | 61.1 | 59.8 | 152.7 | 10 | 112.9 | D813 F820 H897 L898 F899 V903 T904 N905 | D813-R901 IonicContact OD1-CZ 2.7Å; D813-R901 IonicContact OD1-NH1 3.88Å; D813-R901 PolarHBondContact OD1-NH1 3.45Å; D813-R901 IonicContact OD1-NH2 2.7Å; D813-R901 PolarHBondContact OD1-NH2 2.6Å; D813-R901 IonicContact OD2-NH1 3.81Å; F820-R901 HydrophobicContact CD2-CG 4.24Å; F820-R901 HydrophobicContact CE2-CB 3.93Å; F820-R901 HydrophobicContact CE2-CG 3.79Å; H897-R901 PolarHBondContact O-N 3.23Å; L898-R901 PolarHBondContact O-N 2.78Å; F899-R901 VanDerWaalsContact C-N 3.34Å; F899-R901 PolarHBondContact O-N 3.19Å; R901-V903 VanDerWaalsContact C-N 3.33Å; R901-V903 PolarHBondContact O-N 3.3Å; R901-T904 VanDerWaalsContact CA-OG1 3.32Å; R901-T904 WeakPolarHBondContact CA-OG1 3.24Å; R901-T904 PolarHBondContact O-N 2.81Å; R901-T904 PolarHBondContact O-OG1 2.84Å; R901-N905 WeakPolarHBondContact CD-OD1 3.43Å; R901-N905 WeakPolarHBondContact O-CB 3.42Å; R901-N905 VanDerWaalsContact O-CG 3.26Å; R901-N905 PolarHBondContact O-N 3.44Å; R901-N905 PolarHBondContact O-OD1 2.94Å |
| 902 | L | 83.5 | Confident | 79 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 5% | 0.052 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.2 | -51 | 179.5 | -161.9 | 156.6 | 0 | 0 | 0 | 109.8 | F820 I824 L898 F899 T904 N905 E906 L932 F935 | F820-L902 HydrophobicContact CE1-CB 4.23Å; F820-L902 HydrophobicContact CE1-CD1 4.07Å; F820-L902 HydrophobicContact CE1-CG 4.16Å; F820-L902 HydrophobicContact CZ-CB 3.82Å; F820-L902 HydrophobicContact CZ-CD1 4.29Å; F820-L902 HydrophobicContact CZ-CG 4.27Å; I824-L902 HydrophobicContact CD1-CD1 4.46Å; L898-L902 WeakPolarHBondContact O-CB 3.33Å; L898-L902 PolarHBondContact O-N 3.23Å; F899-L902 PolarHBondContact O-N 3.33Å; L902-T904 PolarHBondContact O-N 3.47Å; L902-N905 PolarHBondContact O-N 3.15Å; L902-E906 HydrophobicContact CD2-CG 3.82Å; L902-E906 WeakPolarHBondContact O-CG 3.5Å; L902-E906 PolarHBondContact O-N 2.59Å; L902-L932 HydrophobicContact CD2-CD2 3.39Å; L902-L932 HydrophobicContact CD2-CG 3.57Å; L902-F935 HydrophobicContact CD1-CB 3.82Å; L902-F935 HydrophobicContact CD1-CD2 3.71Å; L902-F935 HydrophobicContact CD1-CG 3.91Å |
| 903 | V | 81.6 | Confident | 77.8 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -39.3 | -179.6 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | F899 R901 L907 L932 S968 Q973 W975 | F899-V903 HydrophobicContact CD1-CG2 4.41Å; F899-V903 HydrophobicContact CD2-CG2 4.1Å; F899-V903 HydrophobicContact CE1-CG2 4.05Å; F899-V903 HydrophobicContact CE2-CG2 3.72Å; F899-V903 HydrophobicContact CG-CG2 4.45Å; F899-V903 HydrophobicContact CZ-CG2 3.7Å; F899-V903 WeakPolarHBondContact O-CB 3.44Å; F899-V903 WeakPolarHBondContact O-CG2 3.25Å; F899-V903 PolarHBondContact O-N 3.44Å; R901-V903 VanDerWaalsContact C-N 3.33Å; R901-V903 PolarHBondContact O-N 3.3Å; V903-L907 WeakPolarHBondContact O-CB 3.48Å; V903-L907 PolarHBondContact O-N 3.42Å; V903-L932 HydrophobicContact CG2-CD2 3.96Å; V903-S968 WeakPolarHBondContact CG2-OG 3.35Å; V903-Q973 HydrophobicContact CG1-CG 4.05Å; V903-W975 HydrophobicContact CB-CH2 3.85Å; V903-W975 HydrophobicContact CB-CZ2 4.11Å; V903-W975 HydrophobicContact CG1-CH2 3.89Å; V903-W975 HydrophobicContact CG1-CZ2 4.23Å; V903-W975 HydrophobicContact CG2-CZ2 4.5Å |
| 904 | T | 78.4 | Confident | 76.3 | Confident | 27 Ų | 27 | 43.8 Ų | 43.8 | 17% | 0.166 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.5 | -40.3 | 175.3 | 51 | 0 | 0 | 0 | 0 | 112.1 | K900 R901 L902 N908 W975 | K900-T904 WeakPolarHBondContact O-CG2 3.37Å; K900-T904 PolarHBondContact O-N 2.92Å; K900-T904 PolarHBondContact O-OG1 3.35Å; R901-T904 VanDerWaalsContact CA-OG1 3.32Å; R901-T904 WeakPolarHBondContact CA-OG1 3.24Å; R901-T904 PolarHBondContact O-N 2.81Å; R901-T904 PolarHBondContact O-OG1 2.84Å; L902-T904 PolarHBondContact O-N 3.47Å; T904-N908 WeakPolarHBondContact O-CB 3.41Å; T904-N908 PolarHBondContact O-N 3.33Å; T904-N908 PolarHBondContact O-ND2 2.85Å; T904-N908 PolarHBondContact O-OD1 2.83Å; T904-W975 HydrophobicContact CG2-CH2 4.2Å; T904-W975 HydrophobicContact CG2-CZ3 3.89Å |
| 905 | N | 78.9 | Confident | 74.8 | Confident | 54 Ų | 54 | 51.6 Ų | 51.6 | 29% | 0.289 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.7 | -47 | -179.8 | -71.9 | 4.4 | 0 | 0 | 0 | 110.9 | R901 L902 L907 N908 T909 | R901-N905 WeakPolarHBondContact CD-OD1 3.43Å; R901-N905 WeakPolarHBondContact O-CB 3.42Å; R901-N905 VanDerWaalsContact O-CG 3.26Å; R901-N905 PolarHBondContact O-N 3.44Å; R901-N905 PolarHBondContact O-OD1 2.94Å; L902-N905 PolarHBondContact O-N 3.15Å; N905-L907 VanDerWaalsContact C-N 3.34Å; N905-L907 PolarHBondContact O-N 2.71Å; N905-N908 PolarHBondContact O-N 2.67Å; N905-T909 WeakPolarHBondContact O-CG2 3.44Å; N905-T909 PolarHBondContact O-N 3.18Å; N905-T909 PolarHBondContact O-OG1 3.38Å |
| 906 | E | 77.9 | Confident | 73.1 | Confident | 19 Ų | 19 | 56.5 Ų | 56.5 | 9% | 0.089 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.3 | -30.7 | 179.3 | -64.1 | -57 | 148.7 | 0 | 0 | 112.7 | L902 T909 I910 L926 N929 R931 | L902-E906 HydrophobicContact CD2-CG 3.82Å; L902-E906 WeakPolarHBondContact O-CG 3.5Å; L902-E906 PolarHBondContact O-N 2.59Å; E906-T909 WeakPolarHBondContact CA-OG1 3.39Å; E906-T909 PolarHBondContact O-OG1 2.72Å; E906-I910 WeakPolarHBondContact O-CD1 3.39Å; E906-I910 VanDerWaalsContact O-CG1 3.27Å; E906-I910 WeakPolarHBondContact O-CG1 3.34Å; E906-I910 PolarHBondContact O-N 2.76Å; E906-L926 HydrophobicContact CB-CD2 4.19Å; E906-N929 WeakPolarHBondContact CG-ND2 3.31Å; E906-N929 PolarHBondContact OE2-ND2 3.1Å; E906-R931 VanDerWaalsContact OE1-CD 3.28Å; E906-R931 WeakPolarHBondContact OE1-CD 3.45Å; E906-R931 IonicContact OE1-NH1 3.82Å; E906-R931 PolarHBondContact OE1-NH1 3.5Å; E906-R931 VanDerWaalsContact OE1-NH1 3.13Å |
| 907 | L | 73.5 | Confident | 71 | Confident | 41 Ų | 41 | 57 Ų | 57 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.9 | -39.9 | 171.9 | -169.8 | 68.7 | 0 | 0 | 0 | 111.3 | V903 N905 I910 I911 L926 Q973 | V903-L907 WeakPolarHBondContact O-CB 3.48Å; V903-L907 PolarHBondContact O-N 3.42Å; N905-L907 VanDerWaalsContact C-N 3.34Å; N905-L907 PolarHBondContact O-N 2.71Å; L907-I910 PolarHBondContact O-N 2.78Å; L907-I911 HydrophobicContact CG-CD1 4.11Å; L907-I911 VanDerWaalsContact O-CG1 3.3Å; L907-I911 WeakPolarHBondContact O-CG1 3.42Å; L907-I911 PolarHBondContact O-N 3.28Å; L907-L926 HydrophobicContact CD1-CD1 4.04Å; L907-Q973 HydrophobicContact CD2-CG 4.2Å |
| 908 | N | 73.2 | Confident | 68.9 | Low | 81 Ų | 81 | 63.2 Ų | 63.2 | 43% | 0.433 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.2 | -38 | 178 | -71.2 | -14.8 | 0 | 0 | 0 | 112.4 | T904 N905 I910 I911 N912 | T904-N908 WeakPolarHBondContact O-CB 3.41Å; T904-N908 PolarHBondContact O-N 3.33Å; T904-N908 PolarHBondContact O-ND2 2.85Å; T904-N908 PolarHBondContact O-OD1 2.83Å; N905-N908 PolarHBondContact O-N 2.67Å; N908-I910 VanDerWaalsContact C-N 3.3Å; N908-I910 PolarHBondContact O-N 3.48Å; N908-I911 PolarHBondContact O-N 2.96Å; N908-N912 WeakPolarHBondContact O-CB 3.36Å; N908-N912 PolarHBondContact O-N 2.99Å; N908-N912 PolarHBondContact O-ND2 3.17Å |
| 909 | T | 70.9 | Confident | 66.7 | Low | 68 Ų | 68 | 69.7 Ų | 69.7 | 42% | 0.417 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 174.9 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | N905 E906 T913 | N905-T909 WeakPolarHBondContact O-CG2 3.44Å; N905-T909 PolarHBondContact O-N 3.18Å; N905-T909 PolarHBondContact O-OG1 3.38Å; E906-T909 WeakPolarHBondContact CA-OG1 3.39Å; E906-T909 PolarHBondContact O-OG1 2.72Å; T909-T913 WeakPolarHBondContact O-CB 3.31Å; T909-T913 WeakPolarHBondContact O-CG2 3.47Å; T909-T913 PolarHBondContact O-N 3.04Å; T909-T913 PolarHBondContact O-OG1 2.99Å |
| 910 | I | 65.4 | Low | 64.4 | Low | 30 Ų | 30 | 76 Ų | 76 | 15% | 0.154 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.6 | -45 | 174.8 | -66.4 | 165.6 | 0 | 0 | 0 | 111.4 | E906 L907 N908 N912 T913 N914 L926 | E906-I910 WeakPolarHBondContact O-CD1 3.39Å; E906-I910 VanDerWaalsContact O-CG1 3.27Å; E906-I910 WeakPolarHBondContact O-CG1 3.34Å; E906-I910 PolarHBondContact O-N 2.76Å; L907-I910 PolarHBondContact O-N 2.78Å; N908-I910 VanDerWaalsContact C-N 3.3Å; N908-I910 PolarHBondContact O-N 3.48Å; I910-N912 VanDerWaalsContact C-N 3.28Å; I910-N912 PolarHBondContact O-N 3.48Å; I910-T913 VanDerWaalsContact CA-OG1 3.32Å; I910-T913 WeakPolarHBondContact CA-OG1 3.39Å; I910-T913 PolarHBondContact O-N 3.44Å; I910-T913 PolarHBondContact O-OG1 2.88Å; I910-N914 WeakPolarHBondContact O-CB 3.49Å; I910-N914 VanDerWaalsContact O-CG 3.27Å; I910-N914 PolarHBondContact O-N 3.35Å; I910-L926 HydrophobicContact CD1-CD1 3.75Å; I910-L926 HydrophobicContact CD1-CD2 3.73Å; I910-L926 HydrophobicContact CD1-CG 3.45Å; I910-L926 VanDerWaalsContact CD1-CG 3.45Å |
| 911 | I | 65.8 | Low | 62.1 | Low | 81 Ų | 81 | 79.3 Ų | 79.3 | 42% | 0.415 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 177.3 | -68 | 165.1 | 0 | 0 | 0 | 110.6 | L907 N908 Q915 | L907-I911 HydrophobicContact CG-CD1 4.11Å; L907-I911 VanDerWaalsContact O-CG1 3.3Å; L907-I911 WeakPolarHBondContact O-CG1 3.42Å; L907-I911 PolarHBondContact O-N 3.28Å; N908-I911 PolarHBondContact O-N 2.96Å; I911-Q915 PolarHBondContact O-N 3.41Å |
| 912 | N | 59.3 | Low | 60.1 | Low | 108 Ų | 108 | 82 Ų | 82 | 58% | 0.578 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -71.2 | -36.2 | 179.1 | -68.1 | -11.7 | 0 | 0 | 0 | 113 | N908 I910 | N908-N912 WeakPolarHBondContact O-CB 3.36Å; N908-N912 PolarHBondContact O-N 2.99Å; N908-N912 PolarHBondContact O-ND2 3.17Å; I910-N912 VanDerWaalsContact C-N 3.28Å; I910-N912 PolarHBondContact O-N 3.48Å |
| 913 | T | 59.8 | Low | 58.2 | Low | 75 Ų | 75 | 83.5 Ų | 83.5 | 46% | 0.46 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -71.5 | -39 | 176.6 | 43.5 | 0 | 0 | 0 | 0 | 112 | T909 I910 Q915 S916 | T909-T913 WeakPolarHBondContact O-CB 3.31Å; T909-T913 WeakPolarHBondContact O-CG2 3.47Å; T909-T913 PolarHBondContact O-N 3.04Å; T909-T913 PolarHBondContact O-OG1 2.99Å; I910-T913 VanDerWaalsContact CA-OG1 3.32Å; I910-T913 WeakPolarHBondContact CA-OG1 3.39Å; I910-T913 PolarHBondContact O-N 3.44Å; I910-T913 PolarHBondContact O-OG1 2.88Å; T913-Q915 VanDerWaalsContact C-N 3.27Å; T913-Q915 PolarHBondContact O-N 3.01Å; T913-S916 PolarHBondContact O-N 3.05Å; T913-S916 PolarHBondContact O-OG 3.04Å |
| 914 | N | 53.9 | Low | 56.6 | Low | 68 Ų | 68 | 91.3 Ų | 91.3 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.4 | -20.8 | 177.6 | -70.3 | -11.6 | 0 | 0 | 0 | 113.8 | I910 S916 | I910-N914 WeakPolarHBondContact O-CB 3.49Å; I910-N914 VanDerWaalsContact O-CG 3.27Å; I910-N914 PolarHBondContact O-N 3.35Å; N914-S916 PolarHBondContact O-N 2.93Å |
| 915 | Q | 54.9 | Low | 55.4 | Low | 165 Ų | 165 | 93.3 Ų | 93.3 | 77% | 0.771 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -7.5 | 170.2 | -77.3 | -175.5 | -2.3 | 0 | 0 | 113.4 | I911 T913 | I911-Q915 PolarHBondContact O-N 3.41Å; T913-Q915 VanDerWaalsContact C-N 3.27Å; T913-Q915 PolarHBondContact O-N 3.01Å |
| 916 | S | 51.2 | Low | 54.6 | Low | 103 Ų | 103 | 91.5 Ų | 91.5 | 72% | 0.72 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -6 | -176.9 | 71.8 | 0 | 0 | 0 | 0 | 115.1 | T913 N914 | T913-S916 PolarHBondContact O-N 3.05Å; T913-S916 PolarHBondContact O-OG 3.04Å; N914-S916 PolarHBondContact O-N 2.93Å |
| 917 | S | 40.5 | Very low | 53.7 | Low | 69 Ų | 69 | 91.8 Ų | 91.8 | 48% | 0.483 | 50% | 0.499 | S | S | . | . | trans | -135.8 | 110.6 | 179.1 | 58.8 | 0 | 0 | 0 | 0 | 110.8 | D919 | S917-D919 PolarHBondContact O-N 3.47Š| ||
| 918 | D | 40 | Very low | 53.3 | Low | 172 Ų | 172 | 95.3 Ų | 95.3 | 92% | 0.92 | 52% | 0.518 | S | S | * | . | trans | -76 | -2.4 | -179.6 | -92.7 | -29.1 | 0 | 0 | 0 | 114.3 | ||||
| 919 | D | 37.5 | Very low | 53.3 | Low | 138 Ų | 138 | 93 Ų | 93 | 74% | 0.738 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -110.2 | 129.9 | -175.5 | -64.4 | -39.7 | 0 | 0 | 0 | 111.4 | S917 | S917-D919 PolarHBondContact O-N 3.47Š|
| 920 | D | 38.4 | Very low | 53.6 | Low | 137 Ų | 137 | 96.2 Ų | 96.2 | 73% | 0.733 | 52% | 0.516 | S | S | * | . | trans | 67.8 | 100.7 | 173.3 | -60.6 | -28.4 | 0 | 0 | 0 | 117.2 | T922 | D920-T922 PolarHBondContact O-N 3.33Š| ||
| 921 | L | 37.1 | Very low | 54.2 | Low | 157 Ų | 157 | 101.7 Ų | 101.7 | 82% | 0.822 | 54% | 0.535 | S | S | * | . | trans | -60.2 | 28.8 | 161.9 | -164.7 | 72.8 | 0 | 0 | 0 | 113 | T923 | L921-T923 PolarHBondContact O-N 3.27Š| ||
| 922 | T | 40.4 | Very low | 54.9 | Low | 112 Ų | 112 | 98 Ų | 98 | 69% | 0.687 | 52% | 0.516 | S | S | * | . | trans | -77.9 | 71.2 | 159.1 | 58.8 | 0 | 0 | 0 | 0 | 107.2 | D920 K924 | D920-T922 PolarHBondContact O-N 3.33Å; T922-K924 PolarHBondContact O-N 3.2Å | ||
| 923 | T | 44.7 | Very low | 55.8 | Low | 41 Ų | 41 | 95.6 Ų | 95.6 | 25% | 0.252 | 50% | 0.5 | S | S | . | . | trans | -50.5 | 107.3 | 171.1 | 49.1 | 0 | 0 | 0 | 0 | 107.1 | L921 N925 | L921-T923 PolarHBondContact O-N 3.27Å; T923-N925 PolarHBondContact O-N 3.49Å | ||
| 924 | K | 47.5 | Very low | 56.7 | Low | 172 Ų | 172 | 96.7 Ų | 96.7 | 75% | 0.748 | 50% | 0.5 | S | S | * | . | trans | -43.9 | 110.6 | 176.2 | -75.6 | 176.5 | 177.7 | 171.6 | 0 | 106.8 | T922 L926 | T922-K924 PolarHBondContact O-N 3.2Å; K924-L926 PolarHBondContact O-N 3.43Å | ||
| 925 | N | 53.7 | Low | 58.1 | Low | 68 Ų | 68 | 93.6 Ų | 93.6 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | trans | -60 | 130.3 | -172.8 | -71.9 | -52.6 | 0 | 0 | 0 | 107.2 | T923 M927 D928 Q1060 | T923-N925 PolarHBondContact O-N 3.49Å; N925-M927 HydrophobicContact CB-CB 3.69Å; N925-M927 HydrophobicContact CB-CG 3.83Å; N925-M927 PolarHBondContact O-N 2.62Å; N925-D928 PolarHBondContact O-N 3.21Å; N925-Q1060 PolarHBondContact OD1-NE2 3.14Å | ||
| 926 | L | 60.2 | Low | 59.2 | Low | 17 Ų | 17 | 85.9 Ų | 85.9 | 9% | 0.089 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -54.7 | -16.7 | 170.9 | -95 | 151.6 | 0 | 0 | 0 | 112.4 | E906 L907 I910 K924 D928 N929 L932 S968 G971 | E906-L926 HydrophobicContact CB-CD2 4.19Å; L907-L926 HydrophobicContact CD1-CD1 4.04Å; I910-L926 HydrophobicContact CD1-CD1 3.75Å; I910-L926 HydrophobicContact CD1-CD2 3.73Å; I910-L926 HydrophobicContact CD1-CG 3.45Å; I910-L926 VanDerWaalsContact CD1-CG 3.45Å; K924-L926 PolarHBondContact O-N 3.43Å; L926-D928 PolarHBondContact O-N 3.03Å; L926-N929 HydrophobicContact CD2-CB 4.33Å; L926-N929 WeakPolarHBondContact O-CB 3.39Å; L926-N929 PolarHBondContact O-N 3.03Å; L926-L932 HydrophobicContact CD2-CD1 3.35Å; L926-S968 WeakPolarHBondContact CB-O 3.4Å; L926-G971 VanDerWaalsContact CD1-CA 3.43Å |
| 927 | M | 59.9 | Low | 60.5 | Low | 25 Ų | 25 | 82.8 Ų | 82.8 | 12% | 0.123 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -46.4 | -33.6 | 164 | -63.6 | -74.3 | -68.7 | 0 | 0 | 114.5 | N925 K933 F969 H1063 A1064 L1067 | N925-M927 HydrophobicContact CB-CB 3.69Å; N925-M927 HydrophobicContact CB-CG 3.83Å; N925-M927 PolarHBondContact O-N 2.62Å; M927-K933 WeakPolarHBondContact O-CE 3.45Å; M927-K933 PolarHBondContact O-NZ 3.35Å; M927-F969 PolarHBondContact N-O 3.42Å; M927-F969 HydrophobicContact SD-CB 3.93Å; M927-H1063 HydrophobicContact CE-CB 4Å; M927-H1063 WeakPolarHBondContact CE-O 3.33Å; M927-A1064 HydrophobicContact SD-CB 4.02Å; M927-L1067 HydrophobicContact CE-CB 3.64Å; M927-L1067 HydrophobicContact CE-CD1 3.41Å; M927-L1067 VanDerWaalsContact CE-CD1 3.41Å; M927-L1067 HydrophobicContact CE-CG 4.14Å; M927-L1067 HydrophobicContact SD-CB 4.35Å; M927-L1067 HydrophobicContact SD-CD1 3.92Å |
| 928 | D | 64.6 | Low | 62.4 | Low | 114 Ų | 114 | 81 Ų | 81 | 61% | 0.61 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -94.1 | -6.5 | -175.9 | -65.1 | -34.3 | 0 | 0 | 0 | 113.8 | N925 L926 E930 K933 | N925-D928 PolarHBondContact O-N 3.21Å; L926-D928 PolarHBondContact O-N 3.03Å; D928-E930 PolarHBondContact O-N 3.1Å; D928-E930 VanDerWaalsContact O-N 3.11Å; D928-K933 IonicContact OD1-NZ 2.61Å |
| 929 | N | 73.8 | Confident | 64.4 | Low | 32 Ų | 32 | 72.9 Ų | 72.9 | 17% | 0.171 | 36% | 0.364 | C | S | . | . | trans | -68.6 | 112.3 | -176.5 | -164.6 | -29.3 | 0 | 0 | 0 | 111.4 | E906 L926 R931 L932 K933 | E906-N929 WeakPolarHBondContact CG-ND2 3.31Å; E906-N929 PolarHBondContact OE2-ND2 3.1Å; L926-N929 HydrophobicContact CD2-CB 4.33Å; L926-N929 WeakPolarHBondContact O-CB 3.39Å; L926-N929 PolarHBondContact O-N 3.03Å; N929-R931 VanDerWaalsContact C-N 3.32Å; N929-R931 PolarHBondContact O-N 2.93Å; N929-R931 PolarHBondContact OD1-N 3.2Å; N929-L932 HydrophobicContact CB-CB 4.35Å; N929-L932 HydrophobicContact CB-CD1 4.26Å; N929-L932 PolarHBondContact O-N 2.86Å; N929-K933 WeakPolarHBondContact O-CG 3.34Å; N929-K933 PolarHBondContact O-N 3.15Å; N929-K933 VanDerWaalsContact O-N 3.15Å | ||
| 930 | E | 76.3 | Confident | 66.5 | Low | 137 Ų | 137 | 67 Ų | 67 | 64% | 0.64 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.4 | -40.1 | -176.8 | -166.3 | 170.8 | -164.9 | 0 | 0 | 112 | D928 L932 K933 E934 | D928-E930 PolarHBondContact O-N 3.1Å; D928-E930 VanDerWaalsContact O-N 3.11Å; E930-L932 PolarHBondContact O-N 3.02Å; E930-K933 CarbonylContact O-C 3.58Å; E930-K933 WeakPolarHBondContact O-CB 3.38Å; E930-K933 PolarHBondContact O-N 3.21Å; E930-K933 VanDerWaalsContact O-N 3.17Å; E930-E934 WeakPolarHBondContact O-CG 3.5Å; E930-E934 PolarHBondContact O-N 2.81Å |
| 931 | R | 78.9 | Confident | 68.2 | Low | 144 Ų | 144 | 63.3 Ų | 63.3 | 54% | 0.543 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 179.8 | -72.6 | -179.2 | 174.4 | 171.2 | -0.5 | 113.7 | E906 N929 K933 E934 F935 | E906-R931 VanDerWaalsContact OE1-CD 3.28Å; E906-R931 WeakPolarHBondContact OE1-CD 3.45Å; E906-R931 IonicContact OE1-NH1 3.82Å; E906-R931 PolarHBondContact OE1-NH1 3.5Å; E906-R931 VanDerWaalsContact OE1-NH1 3.13Å; N929-R931 VanDerWaalsContact C-N 3.32Å; N929-R931 PolarHBondContact O-N 2.93Å; N929-R931 PolarHBondContact OD1-N 3.2Å; R931-K933 VanDerWaalsContact C-N 3.34Å; R931-E934 PolarHBondContact O-N 3.41Å; R931-F935 WeakPolarHBondContact O-CB 3.17Å; R931-F935 PolarHBondContact O-N 3.01Å |
| 932 | L | 80 | Confident | 70.1 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.1 | -37.6 | 174.8 | -86.3 | 168.1 | 0 | 0 | 0 | 111.1 | F899 L902 V903 L926 N929 E930 A936 F969 | F899-L932 HydrophobicContact CE2-CD2 4.24Å; L902-L932 HydrophobicContact CD2-CD2 3.39Å; L902-L932 HydrophobicContact CD2-CG 3.57Å; V903-L932 HydrophobicContact CG2-CD2 3.96Å; L926-L932 HydrophobicContact CD2-CD1 3.35Å; N929-L932 HydrophobicContact CB-CB 4.35Å; N929-L932 HydrophobicContact CB-CD1 4.26Å; N929-L932 PolarHBondContact O-N 2.86Å; E930-L932 PolarHBondContact O-N 3.02Å; L932-A936 VanDerWaalsContact O-CB 3.24Å; L932-A936 WeakPolarHBondContact O-CB 3.19Å; L932-A936 PolarHBondContact O-N 2.9Å; L932-F969 HydrophobicContact CB-CE1 4.24Å |
| 933 | K | 78.8 | Confident | 72.1 | Confident | 57 Ų | 57 | 52.1 Ų | 52.1 | 25% | 0.248 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -46 | 173.2 | -68.7 | 175.4 | -173.7 | 171.4 | 0 | 110.9 | M927 D928 N929 E930 R931 A936 N937 F969 | M927-K933 WeakPolarHBondContact O-CE 3.45Å; M927-K933 PolarHBondContact O-NZ 3.35Å; D928-K933 IonicContact OD1-NZ 2.61Å; N929-K933 WeakPolarHBondContact O-CG 3.34Å; N929-K933 PolarHBondContact O-N 3.15Å; N929-K933 VanDerWaalsContact O-N 3.15Å; E930-K933 CarbonylContact O-C 3.58Å; E930-K933 WeakPolarHBondContact O-CB 3.38Å; E930-K933 PolarHBondContact O-N 3.21Å; E930-K933 VanDerWaalsContact O-N 3.17Å; R931-K933 VanDerWaalsContact C-N 3.34Å; K933-A936 WeakPolarHBondContact O-CB 3.48Å; K933-A936 PolarHBondContact O-N 3.41Å; K933-N937 WeakPolarHBondContact O-CB 3.38Å; K933-N937 PolarHBondContact O-N 2.98Å; K933-N937 PolarHBondContact O-ND2 3.32Å; K933-N937 VanDerWaalsContact O-ND2 3.15Å; K933-N937 PolarHBondContact O-OD1 3.19Å; K933-F969 HydrophobicContact CG-CE1 4.17Å; K933-F969 HydrophobicContact CG-CZ 4.49Å |
| 934 | E | 78.6 | Confident | 73.7 | Confident | 98 Ų | 98 | 50.5 Ų | 50.5 | 46% | 0.458 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.4 | -48.9 | 175 | -73.9 | 176.3 | 171 | 0 | 0 | 111.8 | E930 R931 A936 N937 M938 | E930-E934 WeakPolarHBondContact O-CG 3.5Å; E930-E934 PolarHBondContact O-N 2.81Å; R931-E934 PolarHBondContact O-N 3.41Å; E934-A936 VanDerWaalsContact C-N 3.34Å; E934-A936 PolarHBondContact O-N 3.3Å; E934-N937 PolarHBondContact O-N 3.15Å; E934-N937 VanDerWaalsContact O-N 3.14Å; E934-M938 WeakPolarHBondContact O-CG 3.29Å; E934-M938 PolarHBondContact O-N 3.06Å |
| 935 | F | 82.9 | Confident | 75.1 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.3 | -44.3 | 176.5 | -174 | -84.5 | 0 | 0 | 0 | 111.9 | I824 I895 F899 L902 R931 N937 M938 F939 | I824-F935 HydrophobicContact CD1-CD2 4.15Å; I824-F935 HydrophobicContact CD1-CE2 4.34Å; I895-F935 HydrophobicContact CG2-CE1 4.38Å; I895-F935 HydrophobicContact CG2-CZ 3.92Å; F899-F935 HydrophobicContact CB-CE1 3.81Å; F899-F935 HydrophobicContact CB-CZ 3.72Å; F899-F935 AromaticContact CD2-CD1 3.76Å; F899-F935 HydrophobicContact CD2-CD1 3.76Å; F899-F935 AromaticContact CD2-CE1 3.43Å; F899-F935 HydrophobicContact CD2-CE1 3.43Å; F899-F935 VanDerWaalsContact CD2-CE1 3.43Å; F899-F935 HydrophobicContact CD2-CZ 4.15Å; F899-F935 HydrophobicContact CE2-CD1 4.4Å; F899-F935 HydrophobicContact CE2-CE1 4.38Å; F899-F935 HydrophobicContact CG-CE1 4.01Å; F899-F935 HydrophobicContact CG-CZ 4.41Å; L902-F935 HydrophobicContact CD1-CB 3.82Å; L902-F935 HydrophobicContact CD1-CD2 3.71Å; L902-F935 HydrophobicContact CD1-CG 3.91Å; R931-F935 WeakPolarHBondContact O-CB 3.17Å; R931-F935 PolarHBondContact O-N 3.01Å; F935-N937 VanDerWaalsContact C-N 3.33Å; F935-N937 PolarHBondContact O-N 2.85Å; F935-M938 PolarHBondContact O-N 3.5Å; F935-F939 HydrophobicContact CD1-CD2 4.05Å; F935-F939 AromaticContact CD2-CD2 3.84Å; F935-F939 HydrophobicContact CD2-CD2 3.84Å; F935-F939 AromaticContact CD2-CE2 3.8Å; F935-F939 HydrophobicContact CD2-CE2 3.8Å; F935-F939 AromaticContact CE1-CD2 3.77Å; F935-F939 HydrophobicContact CE1-CD2 3.77Å; F935-F939 HydrophobicContact CE1-CE2 4.47Å; F935-F939 AromaticContact CE2-CD2 3.57Å; F935-F939 HydrophobicContact CE2-CD2 3.57Å; F935-F939 AromaticContact CE2-CE2 3.43Å; F935-F939 HydrophobicContact CE2-CE2 3.43Å; F935-F939 VanDerWaalsContact CE2-CE2 3.43Å; F935-F939 HydrophobicContact CG-CD2 4.08Å; F935-F939 HydrophobicContact CG-CE2 4.48Å; F935-F939 AromaticContact CZ-CD2 3.53Å; F935-F939 HydrophobicContact CZ-CD2 3.53Å; F935-F939 AromaticContact CZ-CE2 3.81Å; F935-F939 HydrophobicContact CZ-CE2 3.81Å; F935-F939 HydrophobicContact CZ-CG 4.45Å; F935-F939 WeakPolarHBondContact O-CD2 3.39Å; F935-F939 PolarHBondContact O-N 3.3Å; F935-F939 VanDerWaalsContact O-N 3.11Å |
| 936 | A | 78.4 | Confident | 76.4 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60 | -44.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L932 K933 E934 M938 F939 L940 L965 F969 | L932-A936 VanDerWaalsContact O-CB 3.24Å; L932-A936 WeakPolarHBondContact O-CB 3.19Å; L932-A936 PolarHBondContact O-N 2.9Å; K933-A936 WeakPolarHBondContact O-CB 3.48Å; K933-A936 PolarHBondContact O-N 3.41Å; E934-A936 VanDerWaalsContact C-N 3.34Å; E934-A936 PolarHBondContact O-N 3.3Å; A936-M938 VanDerWaalsContact C-N 3.3Å; A936-M938 PolarHBondContact O-N 3.46Å; A936-F939 PolarHBondContact O-N 2.98Å; A936-L940 WeakPolarHBondContact O-CA 3.42Å; A936-L940 WeakPolarHBondContact O-CB 3.07Å; A936-L940 PolarHBondContact O-N 2.86Å; A936-L965 HydrophobicContact CB-CD1 3.81Å; A936-L965 HydrophobicContact CB-CD2 4.4Å; A936-F969 HydrophobicContact CB-CE2 4.18Å; A936-F969 HydrophobicContact CB-CZ 4.02Å |
| 937 | N | 77.4 | Confident | 77.2 | Confident | 37 Ų | 37 | 41.1 Ų | 41.1 | 20% | 0.198 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66 | -33.5 | -179.8 | -66.4 | -20.9 | 0 | 0 | 0 | 112.3 | L865 L868 K933 E934 F935 P941 | L865-N937 WeakPolarHBondContact CD2-ND2 2.98Å; L868-N937 HydrophobicContact CD1-CB 4.3Å; L868-N937 WeakPolarHBondContact CD1-OD1 3.48Å; K933-N937 WeakPolarHBondContact O-CB 3.38Å; K933-N937 PolarHBondContact O-N 2.98Å; K933-N937 PolarHBondContact O-ND2 3.32Å; K933-N937 VanDerWaalsContact O-ND2 3.15Å; K933-N937 PolarHBondContact O-OD1 3.19Å; E934-N937 PolarHBondContact O-N 3.15Å; E934-N937 VanDerWaalsContact O-N 3.14Å; F935-N937 VanDerWaalsContact C-N 3.33Å; F935-N937 PolarHBondContact O-N 2.85Å; N937-P941 WeakPolarHBondContact O-CD 3.2Å |
| 938 | M | 80.5 | Confident | 77.8 | Confident | 33 Ų | 33 | 42 Ų | 42 | 16% | 0.163 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -74.8 | -30.7 | 177.4 | -74.1 | -172.1 | -69.1 | 0 | 0 | 114.3 | I824 Y828 E934 F935 A936 | I824-M938 HydrophobicContact CG2-CE 3.56Å; I824-M938 HydrophobicContact CG2-SD 4.16Å; Y828-M938 HydrophobicContact CD1-SD 4.46Å; Y828-M938 HydrophobicContact CD2-CB 4.03Å; Y828-M938 WeakPolarHBondContact CD2-O 3.44Å; Y828-M938 HydrophobicContact CE2-CB 4.22Å; Y828-M938 WeakPolarHBondContact CE2-O 2.92Å; Y828-M938 HydrophobicContact CG-CB 4.42Å; Y828-M938 HydrophobicContact CG-SD 4.45Å; E934-M938 WeakPolarHBondContact O-CG 3.29Å; E934-M938 PolarHBondContact O-N 3.06Å; F935-M938 PolarHBondContact O-N 3.5Å; A936-M938 VanDerWaalsContact C-N 3.3Å; A936-M938 PolarHBondContact O-N 3.46Å |
| 939 | F | 82.8 | Confident | 78.3 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -121 | -16.5 | -171.8 | -66.5 | -66.4 | 0 | 0 | 0 | 115.1 | I824 I827 Y828 I895 F935 A936 E942 I943 | I824-F939 HydrophobicContact CG2-CE2 4.06Å; I824-F939 HydrophobicContact CG2-CZ 4.35Å; I827-F939 HydrophobicContact CG2-CE1 3.99Å; I827-F939 HydrophobicContact CG2-CZ 4.19Å; Y828-F939 HydrophobicContact CD2-CE1 4.45Å; I895-F939 HydrophobicContact CD1-CD1 3.7Å; I895-F939 HydrophobicContact CD1-CE1 3.88Å; I895-F939 HydrophobicContact CD1-CG 4.46Å; I895-F939 HydrophobicContact CG1-CD1 4.12Å; I895-F939 HydrophobicContact CG1-CE1 3.99Å; I895-F939 HydrophobicContact CG1-CZ 4.42Å; I895-F939 HydrophobicContact CG2-CG 4.36Å; F935-F939 HydrophobicContact CD1-CD2 4.05Å; F935-F939 AromaticContact CD2-CD2 3.84Å; F935-F939 HydrophobicContact CD2-CD2 3.84Å; F935-F939 AromaticContact CD2-CE2 3.8Å; F935-F939 HydrophobicContact CD2-CE2 3.8Å; F935-F939 AromaticContact CE1-CD2 3.77Å; F935-F939 HydrophobicContact CE1-CD2 3.77Å; F935-F939 HydrophobicContact CE1-CE2 4.47Å; F935-F939 AromaticContact CE2-CD2 3.57Å; F935-F939 HydrophobicContact CE2-CD2 3.57Å; F935-F939 AromaticContact CE2-CE2 3.43Å; F935-F939 HydrophobicContact CE2-CE2 3.43Å; F935-F939 VanDerWaalsContact CE2-CE2 3.43Å; F935-F939 HydrophobicContact CG-CD2 4.08Å; F935-F939 HydrophobicContact CG-CE2 4.48Å; F935-F939 AromaticContact CZ-CD2 3.53Å; F935-F939 HydrophobicContact CZ-CD2 3.53Å; F935-F939 AromaticContact CZ-CE2 3.81Å; F935-F939 HydrophobicContact CZ-CE2 3.81Å; F935-F939 HydrophobicContact CZ-CG 4.45Å; F935-F939 WeakPolarHBondContact O-CD2 3.39Å; F935-F939 PolarHBondContact O-N 3.3Å; F935-F939 VanDerWaalsContact O-N 3.11Å; A936-F939 PolarHBondContact O-N 2.98Å; F939-E942 WeakPolarHBondContact CA-OE2 3.37Å; F939-E942 PolarHBondContact O-N 3.44Å; F939-I943 HydrophobicContact CB-CD1 4.23Å; F939-I943 WeakPolarHBondContact O-CB 3.33Å; F939-I943 WeakPolarHBondContact O-CD1 3.41Å; F939-I943 WeakPolarHBondContact O-CG1 3.3Å; F939-I943 PolarHBondContact O-N 2.97Å |
| 940 | L | 81.4 | Confident | 77.9 | Confident | 14 Ų | 14 | 44.9 Ų | 44.9 | 7% | 0.073 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.8 | -45.5 | 178.3 | -178.7 | 65 | 0 | 0 | 0 | 111.9 | A936 E942 I943 L944 L962 L965 | A936-L940 WeakPolarHBondContact O-CA 3.42Å; A936-L940 WeakPolarHBondContact O-CB 3.07Å; A936-L940 PolarHBondContact O-N 2.86Å; L940-E942 VanDerWaalsContact C-N 3.27Å; L940-E942 PolarHBondContact O-N 3.28Å; L940-I943 PolarHBondContact O-N 2.88Å; L940-L944 HydrophobicContact CD1-CG 4.34Å; L940-L944 HydrophobicContact CG-CD1 4.25Å; L940-L944 WeakPolarHBondContact O-CB 3.19Å; L940-L944 VanDerWaalsContact O-CG 3.23Å; L940-L944 WeakPolarHBondContact O-CG 3.42Å; L940-L944 PolarHBondContact O-N 3.25Å; L940-L962 HydrophobicContact CD1-CD1 3.73Å; L940-L965 HydrophobicContact CD1-CD2 4.43Å |
| 941 | P | 73.8 | Confident | 78.2 | Confident | 59 Ų | 59 | 42.2 Ų | 42.2 | 38% | 0.383 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -55.9 | -42.8 | 174.8 | -23.8 | 34.3 | 0 | 0 | 0 | 112.5 | N937 L944 T945 | N937-P941 WeakPolarHBondContact O-CD 3.2Å; P941-L944 WeakPolarHBondContact O-CB 3.34Å; P941-L944 PolarHBondContact O-N 3.19Å; P941-T945 VanDerWaalsContact O-CG2 3.29Å; P941-T945 WeakPolarHBondContact O-CG2 3.38Å; P941-T945 PolarHBondContact O-N 3.33Å |
| 942 | E | 78.5 | Confident | 78.4 | Confident | 30 Ų | 30 | 40.1 Ų | 40.1 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.8 | -45.3 | -177.9 | -70.9 | 64.2 | -150.1 | 0 | 0 | 110.6 | T831 W888 F939 L940 L944 T945 C946 | T831-E942 HydrophobicContact CG2-CG 4.44Å; W888-E942 HydrophobicContact CH2-CB 3.96Å; W888-E942 HydrophobicContact CH2-CG 4.26Å; W888-E942 HydrophobicContact CZ3-CB 4.32Å; F939-E942 WeakPolarHBondContact CA-OE2 3.37Å; F939-E942 PolarHBondContact O-N 3.44Å; L940-E942 VanDerWaalsContact C-N 3.27Å; L940-E942 PolarHBondContact O-N 3.28Å; E942-L944 VanDerWaalsContact C-N 3.3Å; E942-L944 PolarHBondContact O-N 2.83Å; E942-T945 PolarHBondContact O-N 2.8Å; E942-T945 PolarHBondContact O-OG1 3.06Å; E942-C946 PolarHBondContact O-N 2.74Å; E942-C946 PolarHBondContact O-SG 3.44Å |
| 943 | I | 80.6 | Confident | 78.3 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.2 | -45.7 | 173.2 | -70.8 | 163.6 | 0 | 0 | 0 | 109.7 | F939 L940 T945 C946 L947 A958 L961 L962 | F939-I943 HydrophobicContact CB-CD1 4.23Å; F939-I943 WeakPolarHBondContact O-CB 3.33Å; F939-I943 WeakPolarHBondContact O-CD1 3.41Å; F939-I943 WeakPolarHBondContact O-CG1 3.3Å; F939-I943 PolarHBondContact O-N 2.97Å; L940-I943 PolarHBondContact O-N 2.88Å; I943-T945 PolarHBondContact O-N 3.43Å; I943-C946 WeakPolarHBondContact O-CB 3.36Å; I943-C946 PolarHBondContact O-N 3.17Å; I943-C946 VanDerWaalsContact O-N 3.13Å; I943-L947 WeakPolarHBondContact O-CG 3.32Å; I943-L947 PolarHBondContact O-N 3.38Å; I943-L947 VanDerWaalsContact O-N 3.09Å; I943-A958 HydrophobicContact CG2-CB 4.12Å; I943-A958 WeakPolarHBondContact CG2-O 3.48Å; I943-L961 HydrophobicContact CD1-CB 3.97Å; I943-L961 HydrophobicContact CD1-CD1 4.43Å; I943-L961 HydrophobicContact CG1-CB 4.4Å; I943-L961 HydrophobicContact CG1-CD1 4.36Å; I943-L962 HydrophobicContact CG2-CB 4.27Å |
| 944 | L | 78.9 | Confident | 78.6 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.4 | -41.9 | 177.3 | -69.3 | 173.2 | 0 | 0 | 0 | 111.6 | L940 P941 E942 C946 L947 L1072 S1094 A1098 | L940-L944 HydrophobicContact CD1-CG 4.34Å; L940-L944 HydrophobicContact CG-CD1 4.25Å; L940-L944 WeakPolarHBondContact O-CB 3.19Å; L940-L944 VanDerWaalsContact O-CG 3.23Å; L940-L944 WeakPolarHBondContact O-CG 3.42Å; L940-L944 PolarHBondContact O-N 3.25Å; P941-L944 WeakPolarHBondContact O-CB 3.34Å; P941-L944 PolarHBondContact O-N 3.19Å; E942-L944 VanDerWaalsContact C-N 3.3Å; E942-L944 PolarHBondContact O-N 2.83Å; L944-C946 VanDerWaalsContact C-N 3.29Å; L944-C946 PolarHBondContact O-N 2.68Å; L944-L947 HydrophobicContact CD2-CD1 4.09Å; L944-L947 WeakPolarHBondContact O-CB 3.42Å; L944-L947 PolarHBondContact O-N 3.16Å; L944-L1072 HydrophobicContact CD1-CD2 3.71Å; L944-L1072 HydrophobicContact CD2-CD2 4.08Å; L944-S1094 WeakPolarHBondContact O-CB 3.38Å; L944-A1098 HydrophobicContact CD2-CB 3.48Å; L944-A1098 VanDerWaalsContact CD2-CB 3.48Å |
| 945 | T | 77.5 | Confident | 78.8 | Confident | 57 Ų | 57 | 38.3 Ų | 38.3 | 35% | 0.35 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.1 | -38.3 | 174 | 70.2 | 0 | 0 | 0 | 0 | 112 | M873 P941 E942 I943 L947 C948 | M873-T945 HydrophobicContact CE-CG2 4.1Å; P941-T945 VanDerWaalsContact O-CG2 3.29Å; P941-T945 WeakPolarHBondContact O-CG2 3.38Å; P941-T945 PolarHBondContact O-N 3.33Å; E942-T945 PolarHBondContact O-N 2.8Å; E942-T945 PolarHBondContact O-OG1 3.06Å; I943-T945 PolarHBondContact O-N 3.43Å; T945-L947 VanDerWaalsContact C-N 3.3Å; T945-L947 PolarHBondContact O-N 3.41Å; T945-C948 PolarHBondContact O-N 2.95Å |
| 946 | C | 80.1 | Confident | 78.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.4 | -29.4 | 178.5 | -71.7 | 0 | 0 | 0 | 0 | 113.4 | W888 L892 E942 I943 L944 C948 E949 V954 A958 | W888-C946 WeakPolarHBondContact CZ3-SG 3.11Å; L892-C946 HydrophobicContact CD1-CB 4.43Å; E942-C946 PolarHBondContact O-N 2.74Å; E942-C946 PolarHBondContact O-SG 3.44Å; I943-C946 WeakPolarHBondContact O-CB 3.36Å; I943-C946 PolarHBondContact O-N 3.17Å; I943-C946 VanDerWaalsContact O-N 3.13Å; L944-C946 VanDerWaalsContact C-N 3.29Å; L944-C946 PolarHBondContact O-N 2.68Å; C946-C948 PolarHBondContact O-N 3.37Å; C946-E949 WeakPolarHBondContact O-CB 3.37Å; C946-E949 PolarHBondContact O-N 3.01Å; C946-E949 VanDerWaalsContact O-N 3.15Å; C946-V954 HydrophobicContact CB-CG1 3.94Å; C946-A958 HydrophobicContact CB-CB 3.65Å |
| 947 | L | 77.4 | Confident | 78.8 | Confident | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.4 | -20.9 | 173.7 | -65.9 | 176.9 | 0 | 0 | 0 | 113 | I943 L944 T945 R955 A958 L962 R1097 A1098 L1101 | I943-L947 WeakPolarHBondContact O-CG 3.32Å; I943-L947 PolarHBondContact O-N 3.38Å; I943-L947 VanDerWaalsContact O-N 3.09Å; L944-L947 HydrophobicContact CD2-CD1 4.09Å; L944-L947 WeakPolarHBondContact O-CB 3.42Å; L944-L947 PolarHBondContact O-N 3.16Å; T945-L947 VanDerWaalsContact C-N 3.3Å; T945-L947 PolarHBondContact O-N 3.41Å; L947-R955 WeakPolarHBondContact O-CD 3.25Å; L947-A958 HydrophobicContact CD2-CB 3.92Å; L947-A958 HydrophobicContact CG-CB 4.34Å; L947-L962 HydrophobicContact CD1-CD2 4.3Å; L947-R1097 PolarHBondContact O-NH1 3.17Å; L947-A1098 HydrophobicContact CD1-CB 3.92Å; L947-L1101 HydrophobicContact CD1-CD1 4.26Å; L947-L1101 HydrophobicContact CD2-CD1 3.65Å |
| 948 | C | 72.6 | Confident | 79.3 | Confident | 44 Ų | 44 | 41.6 Ų | 41.6 | 30% | 0.297 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -5.1 | 175.8 | -77.2 | 0 | 0 | 0 | 0 | 114.9 | T945 C946 S1094 | T945-C948 PolarHBondContact O-N 2.95Å; C946-C948 PolarHBondContact O-N 3.37Å; C948-S1094 VanDerWaalsContact SG-CA 3.54Å; C948-S1094 PolarHBondContact SG-N 3.25Å |
| 949 | E | 74.2 | Confident | 79.5 | Confident | 40 Ų | 40 | 40.2 Ų | 40.2 | 19% | 0.187 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -66.3 | 156.3 | 178.9 | -76 | -149.7 | 159.8 | 0 | 0 | 113.6 | W888 C946 N951 V954 R955 | W888-E949 PolarHBondContact NE1-OE1 2.87Å; W888-E949 VanDerWaalsContact NE1-OE1 3.11Å; C946-E949 WeakPolarHBondContact O-CB 3.37Å; C946-E949 PolarHBondContact O-N 3.01Å; C946-E949 VanDerWaalsContact O-N 3.15Å; E949-N951 VanDerWaalsContact C-N 3.35Å; E949-V954 HydrophobicContact CB-CG1 4.32Å; E949-V954 HydrophobicContact CG-CG1 4.35Å; E949-V954 WeakPolarHBondContact OE2-CG1 3.08Å; E949-R955 WeakPolarHBondContact O-CD 3.32Å; E949-R955 WeakPolarHBondContact O-CG 3.4Å; E949-R955 PolarHBondContact O-NH1 2.95Å |
| 950 | L | 67 | Low | 79.6 | Confident | 165 Ų | 165 | 44.6 Ų | 44.6 | 86% | 0.864 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -72.2 | -28 | 177 | -161.7 | 73.2 | 0 | 0 | 0 | 112.5 | Q952 R955 | L950-Q952 PolarHBondContact O-N 2.97Å; L950-R955 PolarHBondContact O-NH1 3.44Å |
| 951 | N | 81.8 | Confident | 79.9 | Confident | 82 Ų | 82 | 44.2 Ų | 44.2 | 44% | 0.439 | 24% | 0.236 | S | C | . | . | trans | -72.2 | 114.3 | -178.1 | -70.9 | -46.4 | 0 | 0 | 0 | 111.9 | E949 T953 V954 R955 | E949-N951 VanDerWaalsContact C-N 3.35Å; N951-T953 VanDerWaalsContact C-N 3.29Å; N951-T953 PolarHBondContact O-N 3.09Å; N951-V954 HydrophobicContact CB-CB 3.92Å; N951-V954 HydrophobicContact CB-CG2 3.68Å; N951-V954 PolarHBondContact O-N 3.01Å; N951-R955 PolarHBondContact O-N 3.29Å; N951-R955 VanDerWaalsContact O-N 3.09Å | ||
| 952 | Q | 83 | Confident | 80.6 | Confident | 99 Ų | 99 | 41.4 Ų | 41.4 | 46% | 0.463 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.2 | -39.3 | 178 | -177 | 67.9 | 38.6 | 0 | 0 | 112.9 | L950 V954 R955 N956 | L950-Q952 PolarHBondContact O-N 2.97Å; Q952-V954 PolarHBondContact O-N 3.25Å; Q952-R955 PolarHBondContact O-N 3.15Å; Q952-N956 PolarHBondContact NE2-OD1 3.37Å; Q952-N956 WeakPolarHBondContact O-CB 3.46Å; Q952-N956 VanDerWaalsContact O-CG 3.26Å; Q952-N956 PolarHBondContact O-N 3.34Å; Q952-N956 PolarHBondContact O-OD1 2.93Å |
| 953 | T | 78.9 | Confident | 81 | Confident | 53 Ų | 53 | 41.2 Ų | 41.2 | 33% | 0.325 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.9 | -40.4 | 179.7 | 43.2 | 0 | 0 | 0 | 0 | 112.3 | K889 N951 N956 L957 | K889-T953 VanDerWaalsContact CE-OG1 3.31Å; K889-T953 WeakPolarHBondContact CE-OG1 3.38Å; N951-T953 VanDerWaalsContact C-N 3.29Å; N951-T953 PolarHBondContact O-N 3.09Å; T953-N956 PolarHBondContact O-N 2.99Å; T953-L957 WeakPolarHBondContact O-CG 3.28Å; T953-L957 PolarHBondContact O-N 3.23Å |
| 954 | V | 84.9 | Confident | 81.2 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.3 | -46.2 | 175.7 | 175.8 | 0 | 0 | 0 | 0 | 110.1 | W888 K889 L892 C946 E949 N951 Q952 N956 L957 A958 | W888-V954 HydrophobicContact CB-CG1 4Å; W888-V954 HydrophobicContact CB-CG2 4.09Å; K889-V954 HydrophobicContact CG-CG2 3.96Å; L892-V954 HydrophobicContact CD1-CB 4.43Å; L892-V954 HydrophobicContact CD1-CG1 3.65Å; C946-V954 HydrophobicContact CB-CG1 3.94Å; E949-V954 HydrophobicContact CB-CG1 4.32Å; E949-V954 HydrophobicContact CG-CG1 4.35Å; E949-V954 WeakPolarHBondContact OE2-CG1 3.08Å; N951-V954 HydrophobicContact CB-CB 3.92Å; N951-V954 HydrophobicContact CB-CG2 3.68Å; N951-V954 PolarHBondContact O-N 3.01Å; Q952-V954 PolarHBondContact O-N 3.25Å; V954-N956 VanDerWaalsContact C-N 3.31Å; V954-N956 PolarHBondContact O-N 3.34Å; V954-L957 PolarHBondContact O-N 2.71Å; V954-A958 WeakPolarHBondContact O-CB 3.49Å; V954-A958 PolarHBondContact O-N 2.94Å |
| 955 | R | 81.5 | Confident | 81.5 | Confident | 67 Ų | 67 | 41 Ų | 41 | 25% | 0.253 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.4 | -40.9 | 175.3 | -68.6 | -164.2 | -61.7 | -95.5 | 3.4 | 112.8 | L947 E949 L950 N951 Q952 G959 | L947-R955 WeakPolarHBondContact O-CD 3.25Å; E949-R955 WeakPolarHBondContact O-CD 3.32Å; E949-R955 WeakPolarHBondContact O-CG 3.4Å; E949-R955 PolarHBondContact O-NH1 2.95Å; L950-R955 PolarHBondContact O-NH1 3.44Å; N951-R955 PolarHBondContact O-N 3.29Å; N951-R955 VanDerWaalsContact O-N 3.09Å; Q952-R955 PolarHBondContact O-N 3.15Å; R955-G959 PolarHBondContact O-N 3.13Å |
| 956 | N | 81.8 | Confident | 81.9 | Confident | 81 Ų | 81 | 38.3 Ų | 38.3 | 43% | 0.433 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.3 | -43.9 | 178.9 | -72.3 | -1.5 | 0 | 0 | 0 | 111.8 | Q952 T953 V954 G959 N960 | Q952-N956 PolarHBondContact NE2-OD1 3.37Å; Q952-N956 WeakPolarHBondContact O-CB 3.46Å; Q952-N956 VanDerWaalsContact O-CG 3.26Å; Q952-N956 PolarHBondContact O-N 3.34Å; Q952-N956 PolarHBondContact O-OD1 2.93Å; T953-N956 PolarHBondContact O-N 2.99Å; V954-N956 VanDerWaalsContact C-N 3.31Å; V954-N956 PolarHBondContact O-N 3.34Å; N956-G959 PolarHBondContact O-N 2.79Å; N956-N960 WeakPolarHBondContact O-CB 3.26Å; N956-N960 PolarHBondContact O-N 3.19Å; N956-N960 PolarHBondContact O-OD1 2.82Å |
| 957 | L | 80.5 | Confident | 82.1 | Confident | 31 Ų | 31 | 39 Ų | 39 | 16% | 0.162 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.4 | -46 | 176.7 | -72 | 172.5 | 0 | 0 | 0 | 111.4 | L892 R893 T953 V954 G959 N960 L961 | L892-L957 HydrophobicContact CB-CB 4.17Å; L892-L957 HydrophobicContact CB-CD1 4.31Å; L892-L957 HydrophobicContact CD1-CB 4.04Å; R893-L957 HydrophobicContact CG-CD1 4.26Å; T953-L957 WeakPolarHBondContact O-CG 3.28Å; T953-L957 PolarHBondContact O-N 3.23Å; V954-L957 PolarHBondContact O-N 2.71Å; L957-G959 PolarHBondContact O-N 3.02Å; L957-N960 PolarHBondContact O-N 3.4Å; L957-L961 WeakPolarHBondContact O-CG 3.45Å; L957-L961 PolarHBondContact O-N 3.18Å |
| 958 | A | 87.7 | Confident | 82.3 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | L892 I943 C946 L947 V954 N960 L961 L962 | L892-A958 HydrophobicContact CD1-CB 4.41Å; I943-A958 HydrophobicContact CG2-CB 4.12Å; I943-A958 WeakPolarHBondContact CG2-O 3.48Å; C946-A958 HydrophobicContact CB-CB 3.65Å; L947-A958 HydrophobicContact CD2-CB 3.92Å; L947-A958 HydrophobicContact CG-CB 4.34Å; V954-A958 WeakPolarHBondContact O-CB 3.49Å; V954-A958 PolarHBondContact O-N 2.94Å; A958-N960 PolarHBondContact O-N 3.23Å; A958-L961 PolarHBondContact O-N 3.24Å; A958-L962 PolarHBondContact O-N 3.28Å |
| 959 | G | 84.2 | Confident | 82.8 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -41.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R955 N956 L957 L962 I963 | R955-G959 PolarHBondContact O-N 3.13Å; N956-G959 PolarHBondContact O-N 2.79Å; L957-G959 PolarHBondContact O-N 3.02Å; G959-L962 PolarHBondContact O-N 3.5Å; G959-I963 WeakPolarHBondContact O-CD1 3.35Å; G959-I963 WeakPolarHBondContact O-CG1 3.48Å; G959-I963 PolarHBondContact O-N 3.23Å |
| 960 | N | 85.3 | Confident | 83.1 | Confident | 93 Ų | 93 | 35.3 Ų | 35.3 | 50% | 0.497 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.4 | -37.5 | 176.4 | -71.6 | -7.4 | 0 | 0 | 0 | 112.2 | N956 L957 A958 G964 | N956-N960 WeakPolarHBondContact O-CB 3.26Å; N956-N960 PolarHBondContact O-N 3.19Å; N956-N960 PolarHBondContact O-OD1 2.82Å; L957-N960 PolarHBondContact O-N 3.4Å; A958-N960 PolarHBondContact O-N 3.23Å; N960-G964 PolarHBondContact O-N 3.16Å |
| 961 | L | 87.7 | Confident | 83.3 | Confident | 6 Ų | 6 | 28.4 Ų | 28.4 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.5 | -43.9 | 172.9 | -79.2 | 167 | 0 | 0 | 0 | 111.5 | L892 I895 Q896 F899 I943 L957 A958 I963 G964 L965 | L892-L961 HydrophobicContact CB-CD1 4.4Å; L892-L961 HydrophobicContact CD2-CD1 3.77Å; I895-L961 HydrophobicContact CB-CD1 4.43Å; I895-L961 HydrophobicContact CG2-CD1 3.96Å; I895-L961 HydrophobicContact CG2-CD2 4.14Å; Q896-L961 HydrophobicContact CB-CD2 3.95Å; Q896-L961 HydrophobicContact CG-CD2 4.3Å; F899-L961 HydrophobicContact CB-CD2 4.4Å; F899-L961 HydrophobicContact CD1-CD2 4.39Å; I943-L961 HydrophobicContact CD1-CB 3.97Å; I943-L961 HydrophobicContact CD1-CD1 4.43Å; I943-L961 HydrophobicContact CG1-CB 4.4Å; I943-L961 HydrophobicContact CG1-CD1 4.36Å; L957-L961 WeakPolarHBondContact O-CG 3.45Å; L957-L961 PolarHBondContact O-N 3.18Å; A958-L961 PolarHBondContact O-N 3.24Å; L961-I963 PolarHBondContact O-N 2.87Å; L961-G964 CarbonylContact O-C 3.6Å; L961-G964 PolarHBondContact O-N 3.25Å; L961-L965 WeakPolarHBondContact O-CB 3.13Å; L961-L965 PolarHBondContact O-N 3.28Å |
| 962 | L | 87.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.8 | -43.9 | 176.8 | -177.7 | 69.3 | 0 | 0 | 0 | 112.1 | L940 I943 L947 A958 G959 G964 L965 V966 V1068 A1098 L1102 | L940-L962 HydrophobicContact CD1-CD1 3.73Å; I943-L962 HydrophobicContact CG2-CB 4.27Å; L947-L962 HydrophobicContact CD1-CD2 4.3Å; A958-L962 PolarHBondContact O-N 3.28Å; G959-L962 PolarHBondContact O-N 3.5Å; L962-G964 VanDerWaalsContact C-N 3.33Å; L962-L965 WeakPolarHBondContact O-CB 3.41Å; L962-L965 PolarHBondContact O-N 3.15Å; L962-V966 PolarHBondContact O-N 2.86Å; L962-V1068 HydrophobicContact CD1-CG1 4.21Å; L962-A1098 HydrophobicContact CD2-CB 3.67Å; L962-L1102 HydrophobicContact CD2-CD1 4.45Å; L962-L1102 HydrophobicContact CD2-CD2 4.3Å; L962-L1102 HydrophobicContact CD2-CG 4.15Å; L962-L1102 HydrophobicContact CG-CD2 4.18Å; L962-L1102 HydrophobicContact CG-CG 4.49Å |
| 963 | I | 86.9 | Confident | 82 | Confident | 26 Ų | 26 | 25 Ų | 25 | 13% | 0.133 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 174.8 | -69.1 | 160.9 | 0 | 0 | 0 | 110.1 | G959 L961 L965 V966 Y967 F1108 | G959-I963 WeakPolarHBondContact O-CD1 3.35Å; G959-I963 WeakPolarHBondContact O-CG1 3.48Å; G959-I963 PolarHBondContact O-N 3.23Å; L961-I963 PolarHBondContact O-N 2.87Å; I963-L965 VanDerWaalsContact C-N 3.31Å; I963-L965 PolarHBondContact O-N 3.11Å; I963-V966 PolarHBondContact O-N 3.01Å; I963-Y967 HydrophobicContact CG2-CD2 3.77Å; I963-Y967 HydrophobicContact CG2-CE2 3.54Å; I963-Y967 VanDerWaalsContact O-CD2 3.28Å; I963-Y967 WeakPolarHBondContact O-CD2 3.25Å; I963-Y967 PolarHBondContact O-N 2.86Å; I963-Y967 VanDerWaalsContact O-N 3.11Å; I963-F1108 HydrophobicContact CG1-CE2 4.42Å; I963-F1108 HydrophobicContact CG2-CE2 4.23Å; I963-F1108 HydrophobicContact CG2-CZ 4.03Å |
| 964 | G | 84.8 | Confident | 81 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.7 | -43.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N960 L961 L962 V966 Y967 S968 | N960-G964 PolarHBondContact O-N 3.16Å; L961-G964 CarbonylContact O-C 3.6Å; L961-G964 PolarHBondContact O-N 3.25Å; L962-G964 VanDerWaalsContact C-N 3.33Å; G964-V966 PolarHBondContact O-N 2.7Å; G964-Y967 PolarHBondContact O-N 3.34Å; G964-S968 PolarHBondContact O-N 3.37Å; G964-S968 PolarHBondContact O-OG 2.94Å |
| 965 | L | 86.3 | Confident | 79.6 | Confident | 7 Ų | 7 | 27.1 Ų | 27.1 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.3 | -47.2 | 176.9 | -161.2 | 105.5 | 0 | 0 | 0 | 112.1 | F899 A936 L940 L961 L962 I963 S968 F969 V1068 | F899-L965 HydrophobicContact CE2-CD1 4.34Å; A936-L965 HydrophobicContact CB-CD1 3.81Å; A936-L965 HydrophobicContact CB-CD2 4.4Å; L940-L965 HydrophobicContact CD1-CD2 4.43Å; L961-L965 WeakPolarHBondContact O-CB 3.13Å; L961-L965 PolarHBondContact O-N 3.28Å; L962-L965 WeakPolarHBondContact O-CB 3.41Å; L962-L965 PolarHBondContact O-N 3.15Å; I963-L965 VanDerWaalsContact C-N 3.31Å; I963-L965 PolarHBondContact O-N 3.11Å; L965-S968 PolarHBondContact O-N 3.49Å; L965-F969 HydrophobicContact CD1-CE2 4.48Å; L965-F969 HydrophobicContact CD2-CD2 4.12Å; L965-F969 HydrophobicContact CD2-CE2 3.69Å; L965-F969 HydrophobicContact CG-CD2 4.06Å; L965-F969 HydrophobicContact CG-CE2 3.75Å; L965-F969 VanDerWaalsContact O-CD2 3.24Å; L965-F969 WeakPolarHBondContact O-CD2 3.36Å; L965-F969 PolarHBondContact O-N 3.26Å; L965-V1068 HydrophobicContact CD2-CG2 3.79Å |
| 966 | V | 85.7 | Confident | 77.6 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.5 | -44 | 177.5 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | L962 I963 G964 S968 F969 A970 A1064 L1065 V1068 L1102 F1108 | L962-V966 PolarHBondContact O-N 2.86Å; I963-V966 PolarHBondContact O-N 3.01Å; G964-V966 PolarHBondContact O-N 2.7Å; V966-S968 VanDerWaalsContact C-N 3.33Å; V966-S968 PolarHBondContact O-N 3.22Å; V966-F969 PolarHBondContact O-N 2.86Å; V966-A970 WeakPolarHBondContact O-CB 3.49Å; V966-A970 PolarHBondContact O-N 2.88Å; V966-A1064 HydrophobicContact CG1-CB 4.22Å; V966-A1064 WeakPolarHBondContact O-CB 3.38Å; V966-L1065 HydrophobicContact CG1-CD2 3.91Å; V966-L1065 HydrophobicContact CG1-CG 3.92Å; V966-L1065 HydrophobicContact CG2-CD2 4.43Å; V966-V1068 HydrophobicContact CG2-CB 4.21Å; V966-V1068 HydrophobicContact CG2-CG1 4.41Å; V966-V1068 HydrophobicContact CG2-CG2 3.86Å; V966-L1102 HydrophobicContact CG2-CD1 4.46Å; V966-L1102 HydrophobicContact CG2-CD2 3.72Å; V966-F1108 HydrophobicContact CB-CE1 4.34Å; V966-F1108 HydrophobicContact CB-CE2 4.17Å; V966-F1108 HydrophobicContact CB-CZ 3.7Å; V966-F1108 HydrophobicContact CG1-CD1 4.36Å; V966-F1108 HydrophobicContact CG1-CE1 3.65Å; V966-F1108 HydrophobicContact CG1-CE2 4.03Å; V966-F1108 HydrophobicContact CG1-CZ 3.48Å; V966-F1108 VanDerWaalsContact CG1-CZ 3.48Å |
| 967 | Y | 85.1 | Confident | 75.5 | Confident | 14 Ų | 14 | 32.8 Ų | 32.8 | 6% | 0.055 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 175.2 | -82.1 | -66.8 | 0 | 0 | 0 | 112.3 | I963 G964 A970 G971 Q972 A974 H1105 R1107 F1108 | I963-Y967 HydrophobicContact CG2-CD2 3.77Å; I963-Y967 HydrophobicContact CG2-CE2 3.54Å; I963-Y967 VanDerWaalsContact O-CD2 3.28Å; I963-Y967 WeakPolarHBondContact O-CD2 3.25Å; I963-Y967 PolarHBondContact O-N 2.86Å; I963-Y967 VanDerWaalsContact O-N 3.11Å; G964-Y967 PolarHBondContact O-N 3.34Å; Y967-A970 CarbonylContact O-C 3.34Å; Y967-A970 WeakPolarHBondContact O-CA 3.5Å; Y967-A970 WeakPolarHBondContact O-CB 3.36Å; Y967-A970 PolarHBondContact O-N 3.48Å; Y967-A970 VanDerWaalsContact O-N 3.12Å; Y967-G971 PolarHBondContact O-N 2.86Å; Y967-G971 VanDerWaalsContact O-N 3.11Å; Y967-Q972 CarbonylContact C-O 3.46Å; Y967-Q972 VanDerWaalsContact C-O 3.25Å; Y967-Q972 HydrophobicContact CD1-CB 3.99Å; Y967-Q972 WeakPolarHBondContact O-CA 3.44Å; Y967-Q972 PolarHBondContact O-N 3.13Å; Y967-A974 HydrophobicContact CD2-CB 3.58Å; Y967-A974 HydrophobicContact CE2-CB 4.33Å; Y967-A974 HydrophobicContact CG-CB 4.08Å; Y967-H1105 PolarHBondContact OH-CE1 3.35Å; Y967-R1107 WeakPolarHBondContact OH-CB 3.29Å; Y967-R1107 VanDerWaalsContact OH-CD 3.26Å; Y967-R1107 WeakPolarHBondContact OH-CD 3.26Å; Y967-F1108 HydrophobicContact CD1-CE1 4.48Å; Y967-F1108 HydrophobicContact CD2-CE1 4.34Å; Y967-F1108 HydrophobicContact CD2-CZ 4.13Å; Y967-F1108 HydrophobicContact CE1-CE1 4.11Å; Y967-F1108 AromaticContact CE2-CE1 3.96Å; Y967-F1108 HydrophobicContact CE2-CE1 3.96Å; Y967-F1108 AromaticContact CE2-CZ 3.89Å; Y967-F1108 HydrophobicContact CE2-CZ 3.89Å; Y967-F1108 AromaticContact CZ-CE1 3.82Å |
| 968 | S | 81.3 | Confident | 73 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.8 | -39 | -178.6 | -60.3 | 0 | 0 | 0 | 0 | 112.7 | F899 V903 L926 G964 L965 V966 A970 G971 Q972 | F899-S968 WeakPolarHBondContact CZ-OG 3.47Å; V903-S968 WeakPolarHBondContact CG2-OG 3.35Å; L926-S968 WeakPolarHBondContact CB-O 3.4Å; G964-S968 PolarHBondContact O-N 3.37Å; G964-S968 PolarHBondContact O-OG 2.94Å; L965-S968 PolarHBondContact O-N 3.49Å; V966-S968 VanDerWaalsContact C-N 3.33Å; V966-S968 PolarHBondContact O-N 3.22Å; S968-A970 VanDerWaalsContact C-N 3.28Å; S968-A970 PolarHBondContact O-N 3.18Å; S968-G971 PolarHBondContact O-N 3.14Å; S968-Q972 WeakPolarHBondContact CA-O 3.25Å; S968-Q972 PolarHBondContact N-O 3.37Å |
| 969 | F | 82.8 | Confident | 70 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.6 | -33 | 170.5 | -79.9 | -57.9 | 0 | 0 | 0 | 112.7 | M927 L932 K933 A936 L965 V966 G971 A1064 L1067 V1068 | M927-F969 PolarHBondContact N-O 3.42Å; M927-F969 HydrophobicContact SD-CB 3.93Å; L932-F969 HydrophobicContact CB-CE1 4.24Å; K933-F969 HydrophobicContact CG-CE1 4.17Å; K933-F969 HydrophobicContact CG-CZ 4.49Å; A936-F969 HydrophobicContact CB-CE2 4.18Å; A936-F969 HydrophobicContact CB-CZ 4.02Å; L965-F969 HydrophobicContact CD1-CE2 4.48Å; L965-F969 HydrophobicContact CD2-CD2 4.12Å; L965-F969 HydrophobicContact CD2-CE2 3.69Å; L965-F969 HydrophobicContact CG-CD2 4.06Å; L965-F969 HydrophobicContact CG-CE2 3.75Å; L965-F969 VanDerWaalsContact O-CD2 3.24Å; L965-F969 WeakPolarHBondContact O-CD2 3.36Å; L965-F969 PolarHBondContact O-N 3.26Å; V966-F969 PolarHBondContact O-N 2.86Å; F969-G971 PolarHBondContact O-N 2.96Å; F969-A1064 HydrophobicContact CB-CB 3.7Å; F969-L1067 HydrophobicContact CD1-CD1 4.48Å; F969-L1067 HydrophobicContact CD1-CD2 4.2Å; F969-L1067 HydrophobicContact CD2-CD2 3.76Å; F969-L1067 HydrophobicContact CE1-CD2 4.13Å; F969-L1067 HydrophobicContact CE2-CD2 3.67Å; F969-L1067 HydrophobicContact CG-CD2 4.03Å; F969-L1067 HydrophobicContact CZ-CD2 3.87Å; F969-V1068 HydrophobicContact CD2-CG2 4.26Å |
| 970 | A | 79.3 | Confident | 67 | Low | 2 Ų | 2 | 50.1 Ų | 50.1 | 2% | 0.017 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 3.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V966 Y967 S968 Q1060 I1061 A1064 | V966-A970 WeakPolarHBondContact O-CB 3.49Å; V966-A970 PolarHBondContact O-N 2.88Å; Y967-A970 CarbonylContact O-C 3.34Å; Y967-A970 WeakPolarHBondContact O-CA 3.5Å; Y967-A970 WeakPolarHBondContact O-CB 3.36Å; Y967-A970 PolarHBondContact O-N 3.48Å; Y967-A970 VanDerWaalsContact O-N 3.12Å; S968-A970 VanDerWaalsContact C-N 3.28Å; S968-A970 PolarHBondContact O-N 3.18Å; A970-Q1060 HydrophobicContact CB-CB 4.29Å; A970-Q1060 PolarHBondContact O-OE1 3.12Å; A970-I1061 HydrophobicContact CB-CB 4.43Å; A970-I1061 HydrophobicContact CB-CG1 3.75Å; A970-A1064 HydrophobicContact CB-CB 3.92Å |
| 971 | G | 72 | Confident | 64 | Low | 19 Ų | 19 | 55.2 Ų | 55.2 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 24.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | L926 Y967 S968 F969 | L926-G971 VanDerWaalsContact CD1-CA 3.43Å; Y967-G971 PolarHBondContact O-N 2.86Å; Y967-G971 VanDerWaalsContact O-N 3.11Å; S968-G971 PolarHBondContact O-N 3.14Å; F969-G971 PolarHBondContact O-N 2.96Å |
| 972 | Q | 72.3 | Confident | 60.8 | Low | 70 Ų | 70 | 62.4 Ų | 62.4 | 33% | 0.327 | 31% | 0.31 | S | S | . | . | trans | -124.6 | 152.9 | -173.7 | -62.1 | -68.9 | -42.2 | 0 | 0 | 112.1 | Y967 S968 M1057 | Y967-Q972 CarbonylContact C-O 3.46Å; Y967-Q972 VanDerWaalsContact C-O 3.25Å; Y967-Q972 HydrophobicContact CD1-CB 3.99Å; Y967-Q972 WeakPolarHBondContact O-CA 3.44Å; Y967-Q972 PolarHBondContact O-N 3.13Å; S968-Q972 WeakPolarHBondContact CA-O 3.25Å; S968-Q972 PolarHBondContact N-O 3.37Å; Q972-M1057 HydrophobicContact CG-CE 4.01Å | ||
| 973 | Q | 65.8 | Low | 57.6 | Low | 41 Ų | 41 | 67.9 Ų | 67.9 | 19% | 0.192 | 35% | 0.345 | C | S | . | . | trans | -98.2 | 117.1 | 173.2 | -67.8 | -176 | 12.8 | 0 | 0 | 110.7 | V903 L907 W975 | V903-Q973 HydrophobicContact CG1-CG 4.05Å; L907-Q973 HydrophobicContact CD2-CG 4.2Å; Q973-W975 HydrophobicContact CB-CE3 4.15Å; Q973-W975 HydrophobicContact CB-CH2 4.4Å; Q973-W975 HydrophobicContact CB-CZ3 3.99Å; Q973-W975 HydrophobicContact CG-CE3 4.48Å; Q973-W975 HydrophobicContact CG-CH2 4.05Å; Q973-W975 HydrophobicContact CG-CZ3 3.83Å; Q973-W975 PolarHBondContact O-N 3.1Å | ||
| 974 | A | 57.2 | Low | 54.3 | Low | 39 Ų | 39 | 73.7 Ų | 73.7 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -18.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y967 | Y967-A974 HydrophobicContact CD2-CB 3.58Å; Y967-A974 HydrophobicContact CE2-CB 4.33Å; Y967-A974 HydrophobicContact CG-CB 4.08Å |
| 975 | W | 56.3 | Low | 51.3 | Low | 60 Ų | 60 | 84.3 Ų | 84.3 | 23% | 0.227 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -4.6 | -169.2 | -7.4 | -75.5 | 0 | 0 | 0 | 113.8 | F899 K900 V903 T904 Q973 K977 | F899-W975 HydrophobicContact CD1-CZ2 4.38Å; F899-W975 HydrophobicContact CE1-CZ2 4.43Å; K900-W975 HydrophobicContact CB-CD2 4.31Å; K900-W975 HydrophobicContact CB-CE3 4.37Å; K900-W975 HydrophobicContact CB-CH2 3.75Å; K900-W975 HydrophobicContact CB-CZ2 3.69Å; K900-W975 HydrophobicContact CB-CZ3 4.1Å; K900-W975 HydrophobicContact CD-CD2 3.78Å; K900-W975 HydrophobicContact CD-CE3 3.46Å; K900-W975 VanDerWaalsContact CD-CE3 3.46Å; K900-W975 HydrophobicContact CD-CG 4.46Å; K900-W975 HydrophobicContact CD-CH2 4.28Å; K900-W975 HydrophobicContact CD-CZ3 3.73Å; K900-W975 HydrophobicContact CG-CD2 4.1Å; K900-W975 HydrophobicContact CG-CE3 3.71Å; K900-W975 HydrophobicContact CG-CH2 3.57Å; K900-W975 HydrophobicContact CG-CZ2 3.99Å; K900-W975 HydrophobicContact CG-CZ3 3.42Å; K900-W975 VanDerWaalsContact CG-CZ3 3.42Å; K900-W975 VanDerWaalsContact O-CH2 3.28Å; K900-W975 WeakPolarHBondContact O-CH2 3.45Å; V903-W975 HydrophobicContact CB-CH2 3.85Å; V903-W975 HydrophobicContact CB-CZ2 4.11Å; V903-W975 HydrophobicContact CG1-CH2 3.89Å; V903-W975 HydrophobicContact CG1-CZ2 4.23Å; V903-W975 HydrophobicContact CG2-CZ2 4.5Å; T904-W975 HydrophobicContact CG2-CH2 4.2Å; T904-W975 HydrophobicContact CG2-CZ3 3.89Å; Q973-W975 HydrophobicContact CB-CE3 4.15Å; Q973-W975 HydrophobicContact CB-CH2 4.4Å; Q973-W975 HydrophobicContact CB-CZ3 3.99Å; Q973-W975 HydrophobicContact CG-CE3 4.48Å; Q973-W975 HydrophobicContact CG-CH2 4.05Å; Q973-W975 HydrophobicContact CG-CZ3 3.83Å; Q973-W975 PolarHBondContact O-N 3.1Å; W975-K977 PolarHBondContact O-N 3.29Å |
| 976 | D | 39.7 | Very low | 48 | Very low | 77 Ų | 77 | 92.6 Ų | 92.6 | 41% | 0.412 | 46% | 0.455 | S | S | . | . | trans | -88.6 | 83.4 | 177.5 | -90.2 | 6.6 | 0 | 0 | 0 | 110.2 | ||||
| 977 | K | 36.2 | Very low | 44.8 | Very low | 189 Ų | 189 | 97.6 Ų | 97.6 | 82% | 0.822 | 49% | 0.49 | S | S | * | . | trans | -79.6 | -8.2 | 161.7 | -75.7 | -165.7 | 174.9 | -168.8 | 0 | 113 | W975 | W975-K977 PolarHBondContact O-N 3.29Š| ||
| 978 | N | 28.3 | Very low | 41.8 | Very low | 141 Ų | 141 | 106.3 Ų | 106.3 | 75% | 0.754 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -103.4 | 7.5 | -169.5 | -75.3 | 3.5 | 0 | 0 | 0 | 115.3 | ||
| 979 | K | 24.8 | Very low | 38.9 | Very low | 173 Ų | 173 | 109.4 Ų | 109.4 | 75% | 0.752 | 56% | 0.563 | S | S | * | * | trans | -123.3 | 73.3 | 171.6 | -75.7 | -177.3 | 177 | 178.3 | 0 | 110.7 | ||||
| 980 | S | 22.3 | Very low | 35.8 | Very low | 86 Ų | 86 | 116.9 Ų | 116.9 | 60% | 0.601 | 60% | 0.604 | S | S | * | * | trans | -63.3 | 131.9 | 150.6 | 52.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 981 | Y | 21.5 | Very low | 32.9 | Very low | 200 Ų | 200 | 125 Ų | 125 | 78% | 0.784 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 94.9 | 116.5 | 169.1 | -48.1 | -70.4 | 0 | 0 | 0 | 117.8 | ||
| 982 | L | 21.6 | Very low | 30.4 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 82% | 0.817 | 67% | 0.671 | S | S | * | * | trans | 13 | 142.2 | 144.7 | -74.8 | 138.4 | 0 | 0 | 0 | 119.7 | I984 | L982-I984 PolarHBondContact O-N 3.14Š| ||
| 983 | P | 19.3 | Very low | 28 | Very low | 115 Ų | 115 | 136 Ų | 136 | 75% | 0.747 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -72.2 | 121 | 177.2 | 32 | -30.4 | 0 | 0 | 0 | 109.7 | ||
| 984 | I | 18.9 | Very low | 25.8 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | trans | 178.8 | 129.5 | 146.8 | -90.8 | 151.1 | 0 | 0 | 0 | 106.7 | L982 | L982-I984 PolarHBondContact O-N 3.14Š| ||
| 985 | Y | 19.8 | Very low | 24.3 | Very low | 223 Ų | 223 | 140.3 Ų | 140.3 | 88% | 0.875 | 72% | 0.721 | S | S | * | * | trans | 78.7 | 115.6 | 178.9 | -71.6 | -71.8 | 0 | 0 | 0 | 120.5 | ||||
| 986 | Q | 18 | Very low | 22.8 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 85% | 0.85 | 73% | 0.728 | S | S | * | * | trans | -55.4 | 135.4 | 163.7 | -62 | 161.7 | -20.9 | 0 | 0 | 111.5 | ||||
| 987 | S | 19.5 | Very low | 21.9 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | 171.5 | 131.6 | 128.5 | 53 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 988 | Q | 20.9 | Very low | 21.2 | Very low | 196 Ų | 196 | 137.5 Ų | 137.5 | 92% | 0.916 | 73% | 0.725 | S | S | * | * | trans | 57 | 118.7 | 142.4 | -61.6 | 179.8 | -2.9 | 0 | 0 | 120.3 | ||||
| 989 | G | 19.6 | Very low | 20.8 | Very low | 67 Ų | 67 | 140.7 Ų | 140.7 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | trans | 143.9 | 64.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | L991 | G989-L991 PolarHBondContact O-N 3.27Š| ||
| 990 | N | 18.6 | Very low | 20.7 | Very low | 165 Ų | 165 | 136.7 Ų | 136.7 | 88% | 0.882 | 72% | 0.718 | S | S | * | * | trans | -69.2 | 94.7 | 174.3 | -77.4 | -18.4 | 0 | 0 | 0 | 111.4 | ||||
| 991 | L | 19 | Very low | 20.6 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 90% | 0.895 | 72% | 0.72 | S | S | * | * | trans | -102.8 | 94.4 | 166.3 | -86 | 158.5 | 0 | 0 | 0 | 109.2 | G989 | G989-L991 PolarHBondContact O-N 3.27Š| ||
| 992 | T | 19.4 | Very low | 20.6 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 73% | 0.73 | 72% | 0.72 | S | S | * | * | trans | -70.6 | 123.5 | 179.1 | 46.8 | 0 | 0 | 0 | 0 | 110.6 | D994 | T992-D994 PolarHBondContact O-N 3.38Š| ||
| 993 | F | 20.7 | Very low | 20.6 | Very low | 201 Ų | 201 | 132.8 Ų | 132.8 | 88% | 0.882 | 71% | 0.714 | S | S | * | * | trans | -78.5 | 117.2 | -178.6 | -144.6 | -90.3 | 0 | 0 | 0 | 110.4 | S995 | F993-S995 PolarHBondContact O-N 3.18Š| ||
| 994 | D | 21 | Very low | 20.6 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 65% | 0.652 | 71% | 0.714 | S | S | * | * | trans | -79.6 | 101.7 | -173.9 | -155.8 | -5.8 | 0 | 0 | 0 | 111 | T992 R996 | T992-D994 PolarHBondContact O-N 3.38Å; D994-R996 PolarHBondContact O-N 3.23Å | ||
| 995 | S | 24.8 | Very low | 20.7 | Very low | 50 Ų | 50 | 134.7 Ų | 134.7 | 35% | 0.35 | 72% | 0.716 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.7 | 5.3 | 179.7 | 66.4 | 0 | 0 | 0 | 0 | 113.9 | F993 S997 | F993-S995 PolarHBondContact O-N 3.18Å; S995-S997 VanDerWaalsContact C-N 3.32Å; S995-S997 PolarHBondContact O-N 2.6Å |
| 996 | R | 23.9 | Very low | 20.8 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 37% | 0.37 | 70% | 0.703 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.1 | 1.4 | -172.3 | -67.9 | -177 | -179 | -156.7 | 1 | 115.9 | D994 S998 | D994-R996 PolarHBondContact O-N 3.23Å; R996-S998 PolarHBondContact O-N 3.31Å |
| 997 | S | 22.4 | Very low | 21 | Very low | 83 Ų | 83 | 127.8 Ų | 127.8 | 58% | 0.58 | 70% | 0.698 | S | S | * | * | trans | -68.1 | 94.5 | 172.8 | 163.1 | 0 | 0 | 0 | 0 | 111.3 | S995 R999 | S995-S997 VanDerWaalsContact C-N 3.32Å; S995-S997 PolarHBondContact O-N 2.6Å; S997-R999 PolarHBondContact O-N 3.19Å; S997-R999 VanDerWaalsContact O-N 3.13Å | ||
| 998 | S | 22 | Very low | 21.2 | Very low | 85 Ų | 85 | 130.6 Ų | 130.6 | 59% | 0.594 | 70% | 0.702 | S | S | * | * | trans | -75.3 | 23.7 | 170.1 | 62.3 | 0 | 0 | 0 | 0 | 113.7 | R996 P1000 | R996-S998 PolarHBondContact O-N 3.31Å; S998-P1000 WeakPolarHBondContact O-CD 3.41Å | ||
| 999 | R | 19.1 | Very low | 21.1 | Very low | 209 Ų | 209 | 129.4 Ų | 129.4 | 79% | 0.789 | 70% | 0.702 | S | S | * | * | trans | -76.4 | 107.5 | 163.6 | -101 | -180 | 177.2 | 176.9 | -0.2 | 108.1 | S997 | S997-R999 PolarHBondContact O-N 3.19Å; S997-R999 VanDerWaalsContact O-N 3.13Å | ||
| 1000 | P | 21.6 | Very low | 21.3 | Very low | 88 Ų | 88 | 132.6 Ų | 132.6 | 57% | 0.571 | 70% | 0.703 | S | S | * | * | trans | -54.2 | 133.1 | 152.2 | 27.1 | -31.1 | 0 | 0 | 0 | 105.4 | S998 T1002 | S998-P1000 WeakPolarHBondContact O-CD 3.41Å; P1000-T1002 VanDerWaalsContact C-N 3.33Å; P1000-T1002 PolarHBondContact O-N 3.13Å | ||
| 1001 | P | 21.8 | Very low | 21.4 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | trans | -57.1 | 110.2 | 170.5 | 23.9 | -29.6 | 0 | 0 | 0 | 105.5 | I1003 | P1001-I1003 HydrophobicContact CB-CG1 4.5Å; P1001-I1003 PolarHBondContact O-N 3.16Å | ||
| 1002 | T | 20.2 | Very low | 21.6 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 80% | 0.798 | 69% | 0.693 | S | S | * | * | trans | -68.6 | 67.5 | 170.9 | -47.6 | 0 | 0 | 0 | 0 | 106.5 | P1000 | P1000-T1002 VanDerWaalsContact C-N 3.33Å; P1000-T1002 PolarHBondContact O-N 3.13Å | ||
| 1003 | I | 22.3 | Very low | 21.7 | Very low | 133 Ų | 133 | 130.6 Ų | 130.6 | 68% | 0.682 | 69% | 0.693 | S | S | * | * | trans | -92.1 | 103.6 | 159.7 | -62.4 | 177.4 | 0 | 0 | 0 | 104 | P1001 N1005 | P1001-I1003 HydrophobicContact CB-CG1 4.5Å; P1001-I1003 PolarHBondContact O-N 3.16Å; I1003-N1005 VanDerWaalsContact C-N 3.26Å; I1003-N1005 PolarHBondContact O-N 3.02Å | ||
| 1004 | M | 19.7 | Very low | 21.8 | Very low | 151 Ų | 151 | 126.5 Ų | 126.5 | 74% | 0.744 | 69% | 0.69 | S | S | * | * | trans | -41.4 | 88.7 | 164.4 | -160.3 | 167.4 | -171.2 | 0 | 0 | 109.6 | N1006 | M1004-N1006 HydrophobicContact CG-CB 4.48Å; M1004-N1006 PolarHBondContact O-N 3.44Å | ||
| 1005 | N | 21 | Very low | 22 | Very low | 152 Ų | 152 | 125.9 Ų | 125.9 | 81% | 0.813 | 68% | 0.683 | S | S | * | * | trans | -74.5 | 66.4 | 160.7 | -89.9 | -8.5 | 0 | 0 | 0 | 107.8 | I1003 I1007 | I1003-N1005 VanDerWaalsContact C-N 3.26Å; I1003-N1005 PolarHBondContact O-N 3.02Å; N1005-I1007 PolarHBondContact O-N 3.23Å | ||
| 1006 | N | 21.7 | Very low | 21.9 | Very low | 111 Ų | 111 | 130 Ų | 130 | 59% | 0.594 | 70% | 0.701 | S | S | * | * | trans | -78.4 | 104.3 | 151.1 | -91 | -10.8 | 0 | 0 | 0 | 106.2 | M1004 M1008 | M1004-N1006 HydrophobicContact CG-CB 4.48Å; M1004-N1006 PolarHBondContact O-N 3.44Å; N1006-M1008 PolarHBondContact O-N 3.32Å | ||
| 1007 | I | 22.4 | Very low | 21.8 | Very low | 149 Ų | 149 | 131 Ų | 131 | 76% | 0.764 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 22.7 | 94.6 | 131.8 | -56 | 167 | 0 | 0 | 0 | 113.3 | N1005 | N1005-I1007 PolarHBondContact O-N 3.23Š|
| 1008 | M | 22.2 | Very low | 21.9 | Very low | 165 Ų | 165 | 134.3 Ų | 134.3 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | trans | 155.7 | 105.1 | 159 | -100.4 | 105.8 | 145.2 | 0 | 0 | 103.1 | N1006 D1010 | N1006-M1008 PolarHBondContact O-N 3.32Å; M1008-D1010 VanDerWaalsContact C-N 3.33Å | ||
| 1009 | N | 20.6 | Very low | 22 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 91% | 0.914 | 74% | 0.736 | S | S | * | * | 36.5 | 60.3 | 51.4 | -72.3 | -1.1 | 0 | 0 | 0 | 111.5 | |||||
| 1010 | D | 23 | Very low | 22.2 | Very low | 134 Ų | 134 | 134 Ų | 134 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | trans | -143.3 | 124.7 | 145 | -137 | -3.8 | 0 | 0 | 0 | 110.2 | M1008 T1012 | M1008-D1010 VanDerWaalsContact C-N 3.33Å; D1010-T1012 PolarHBondContact O-N 3.42Å | ||
| 1011 | D | 20.8 | Very low | 22.1 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | trans | -77.5 | 106.5 | 170.7 | -68 | -56.5 | 0 | 0 | 0 | 106.5 | ||||
| 1012 | T | 23.3 | Very low | 22.2 | Very low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | -130 | 96.4 | 166.1 | 52.4 | 0 | 0 | 0 | 0 | 109.4 | D1010 | D1010-T1012 PolarHBondContact O-N 3.42Š| ||
| 1013 | D | 20.7 | Very low | 22.3 | Very low | 137 Ų | 137 | 142.7 Ų | 142.7 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | -60.4 | 125.8 | 160.3 | -56.2 | -60.5 | 0 | 0 | 0 | 109.3 | ||||
| 1014 | S | 24.2 | Very low | 22.3 | Very low | 116 Ų | 116 | 146 Ų | 146 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | -128.9 | 103.3 | 160.3 | 56.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1015 | E | 23.3 | Very low | 22.2 | Very low | 108 Ų | 108 | 143.8 Ų | 143.8 | 51% | 0.505 | 77% | 0.768 | S | S | . | * | trans | -86.9 | 131.5 | 171.8 | -60.8 | -169.7 | 147.3 | 0 | 0 | 107.7 | K1202 | E1015-K1202 IonicContact OE1-NZ 3.5Å; E1015-K1202 PolarHBondContact OE1-NZ 2.97Å; E1015-K1202 IonicContact OE2-NZ 2.74Å; E1015-K1202 PolarHBondContact OE2-NZ 3.03Å | ||
| 1016 | D | 23.6 | Very low | 22.2 | Very low | 137 Ų | 137 | 142.4 Ų | 142.4 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | -119.2 | 99.5 | 163.8 | -82.2 | -28.7 | 0 | 0 | 0 | 107 | ||||
| 1017 | D | 22.4 | Very low | 22.1 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 63% | 0.631 | 78% | 0.775 | S | S | * | * | trans | -93.3 | 127 | 169.2 | -76.6 | -44.5 | 0 | 0 | 0 | 108.4 | ||||
| 1018 | N | 23.9 | Very low | 22 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -175.5 | 98.2 | 142.3 | -98.5 | -31.8 | 0 | 0 | 0 | 110.3 | ||||
| 1019 | V | 24 | Very low | 21.9 | Very low | 138 Ų | 138 | 140 Ų | 140 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -119.6 | 111.9 | 159.3 | 178.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1020 | D | 23.1 | Very low | 21.9 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -97.1 | 141 | 161.7 | -99.5 | -30.2 | 0 | 0 | 0 | 109.9 | ||||
| 1021 | F | 20.6 | Very low | 21.8 | Very low | 194 Ų | 194 | 142.8 Ų | 142.8 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -48.1 | 128.7 | -179.3 | -81.4 | -108 | 0 | 0 | 0 | 114.7 | ||||
| 1022 | N | 23.1 | Very low | 21.8 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | -165.1 | 137.8 | 129 | -114.3 | -34.3 | 0 | 0 | 0 | 114 | |||||
| 1023 | N | 21.9 | Very low | 21.6 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | -51 | 128 | 179.3 | -67.5 | -42.7 | 0 | 0 | 0 | 113.8 | ||||
| 1024 | K | 22.1 | Very low | 21.6 | Very low | 202 Ų | 202 | 135.4 Ų | 135.4 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | trans | -177.1 | 120.1 | 131.5 | -100.2 | 157.7 | -174.6 | 179.9 | 0 | 111.5 | ||||
| 1025 | S | 19.3 | Very low | 21.5 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -48.9 | 130.9 | 160.6 | 50.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 1026 | T | 20.6 | Very low | 21.6 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | 162.3 | 118 | 127.5 | 43.9 | 0 | 0 | 0 | 0 | 110 | |||||
| 1027 | T | 18.8 | Very low | 21.8 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | 54.8 | 106.9 | 145.9 | 61 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1028 | S | 19.8 | Very low | 22.3 | Very low | 127 Ų | 127 | 133 Ų | 133 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | 142.9 | 93.5 | 135.8 | 61.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1029 | S | 21 | Very low | 22.8 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | trans | -153.6 | 106.2 | 162.2 | 55.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1030 | L | 20.1 | Very low | 23.4 | Very low | 168 Ų | 168 | 128 Ų | 128 | 88% | 0.88 | 75% | 0.749 | S | S | * | * | trans | -148.8 | 57.4 | 173.8 | -97.9 | 167.8 | 0 | 0 | 0 | 109.2 | ||||
| 1031 | M | 20.3 | Very low | 24.2 | Very low | 196 Ų | 196 | 123.7 Ų | 123.7 | 97% | 0.966 | 73% | 0.726 | S | S | * | * | trans | -154.9 | 110.1 | 170.2 | -81.5 | -64.1 | -98.5 | 0 | 0 | 109.3 | ||||
| 1032 | G | 21.2 | Very low | 25.5 | Very low | 79 Ų | 79 | 116.5 Ų | 116.5 | 81% | 0.814 | 70% | 0.696 | S | S | * | * | trans | 172.6 | 99.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1033 | G | 19.2 | Very low | 26.9 | Very low | 77 Ų | 77 | 115.1 Ų | 115.1 | 79% | 0.794 | 69% | 0.689 | S | S | * | * | trans | -72.5 | 124.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1035 | G1033-T1035 PolarHBondContact O-N 3.39Å; G1033-T1035 VanDerWaalsContact O-N 3.09Å | ||
| 1034 | S | 20.7 | Very low | 28.5 | Very low | 100 Ų | 100 | 113 Ų | 113 | 70% | 0.699 | 68% | 0.677 | S | S | * | * | trans | -71.9 | 102.3 | -175.4 | 79 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1035 | T | 22.1 | Very low | 30 | Very low | 131 Ų | 131 | 103.7 Ų | 103.7 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | trans | -100.7 | 111.7 | 152.9 | 44.2 | 0 | 0 | 0 | 0 | 108.5 | G1033 S1037 | G1033-T1035 PolarHBondContact O-N 3.39Å; G1033-T1035 VanDerWaalsContact O-N 3.09Å; T1035-S1037 PolarHBondContact O-N 3Å | ||
| 1036 | Y | 25.7 | Very low | 31.8 | Very low | 159 Ų | 159 | 101.6 Ų | 101.6 | 62% | 0.624 | 62% | 0.617 | S | S | * | * | trans | -25.9 | 102.2 | 175.4 | -61.3 | -91.2 | 0 | 0 | 0 | 116.2 | K1104 | Y1036-K1104 HydrophobicContact CE1-CD 4.4Å; Y1036-K1104 VanDerWaalsContact CE1-CE 3.45Å | ||
| 1037 | S | 27.2 | Very low | 33.8 | Very low | 75 Ų | 75 | 97.1 Ų | 97.1 | 52% | 0.524 | 59% | 0.591 | S | S | . | * | trans | -128.6 | 115.7 | 156.2 | 93.2 | 0 | 0 | 0 | 0 | 107.3 | T1035 G1039 | T1035-S1037 PolarHBondContact O-N 3Å; S1037-G1039 PolarHBondContact O-N 3.17Å; S1037-G1039 VanDerWaalsContact O-N 3.09Å | ||
| 1038 | D | 32.7 | Very low | 35.8 | Very low | 65 Ų | 65 | 94.3 Ų | 94.3 | 35% | 0.348 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.7 | 8.4 | -168 | -77.5 | -33.1 | 0 | 0 | 0 | 113.4 | N1042 R1158 K1199 | D1038-N1042 PolarHBondContact O-ND2 3.29Å; D1038-R1158 IonicContact OD2-CZ 3.52Å; D1038-R1158 IonicContact OD2-NE 3.37Å; D1038-R1158 IonicContact OD2-NH2 2.78Å; D1038-R1158 PolarHBondContact OD2-NH2 3.46Å; D1038-K1199 IonicContact OD2-NZ 3.88Å; D1038-K1199 PolarHBondContact OD2-NZ 3.49Å |
| 1039 | G | 34.2 | Very low | 37.9 | Very low | 45 Ų | 45 | 97.7 Ų | 97.7 | 46% | 0.464 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.7 | -58.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1037 N1042 | S1037-G1039 PolarHBondContact O-N 3.17Å; S1037-G1039 VanDerWaalsContact O-N 3.09Å; G1039-N1042 PolarHBondContact O-ND2 3.27Å |
| 1040 | E | 37.6 | Very low | 39.8 | Very low | 140 Ų | 140 | 94.5 Ų | 94.5 | 65% | 0.654 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -22.6 | -172.9 | -62.2 | -176.5 | 161.4 | 0 | 0 | 113.3 | N1042 D1043 | E1040-N1042 PolarHBondContact O-N 2.86Å; E1040-N1042 VanDerWaalsContact O-N 3.12Å; E1040-D1043 PolarHBondContact O-N 3.21Å |
| 1041 | D | 39.9 | Very low | 42.2 | Very low | 61 Ų | 61 | 86.5 Ų | 86.5 | 33% | 0.326 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.1 | -11.1 | -176.1 | -76.2 | -14 | 0 | 0 | 0 | 114.6 | D1043 D1044 I1045 | D1041-D1043 PolarHBondContact O-N 2.64Å; D1041-D1044 PolarHBondContact O-N 2.68Å; D1041-I1045 HydrophobicContact CB-CD1 4.42Å; D1041-I1045 WeakPolarHBondContact O-CB 3.39Å; D1041-I1045 WeakPolarHBondContact O-CD1 3.48Å; D1041-I1045 WeakPolarHBondContact O-CG1 3.38Å; D1041-I1045 PolarHBondContact O-N 2.75Å |
| 1042 | N | 47.8 | Very low | 44.4 | Very low | 42 Ų | 42 | 80.6 Ų | 80.6 | 23% | 0.225 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -63.9 | -34.3 | 178.4 | -62.5 | -79.5 | 0 | 0 | 0 | 110.7 | D1038 G1039 E1040 I1045 M1046 L1162 K1203 | D1038-N1042 PolarHBondContact O-ND2 3.29Å; G1039-N1042 PolarHBondContact O-ND2 3.27Å; E1040-N1042 PolarHBondContact O-N 2.86Å; E1040-N1042 VanDerWaalsContact O-N 3.12Å; N1042-I1045 PolarHBondContact O-N 2.97Å; N1042-M1046 WeakPolarHBondContact O-CB 3.25Å; N1042-M1046 WeakPolarHBondContact O-CG 3.25Å; N1042-M1046 PolarHBondContact O-N 2.82Å; N1042-L1162 WeakPolarHBondContact OD1-CD1 3.46Å; N1042-K1203 PolarHBondContact OD1-NZ 2.88Å |
| 1043 | D | 52.5 | Low | 46.5 | Very low | 130 Ų | 130 | 84.7 Ų | 84.7 | 70% | 0.695 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -72.2 | -38.1 | 178.4 | -70.8 | -19 | 0 | 0 | 0 | 111.5 | E1040 D1041 M1046 S1047 | E1040-D1043 PolarHBondContact O-N 3.21Å; D1041-D1043 PolarHBondContact O-N 2.64Å; D1043-M1046 CarbonylContact O-C 3.23Å; D1043-M1046 PolarHBondContact O-N 2.75Å; D1043-S1047 WeakPolarHBondContact O-CA 3Å; D1043-S1047 VanDerWaalsContact O-CB 3.3Å; D1043-S1047 WeakPolarHBondContact O-CB 3.02Å; D1043-S1047 PolarHBondContact O-N 3.19Å |
| 1044 | D | 55.2 | Low | 48.6 | Very low | 99 Ų | 99 | 82.7 Ų | 82.7 | 53% | 0.529 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.8 | -35.9 | 173.9 | -87.2 | -10.8 | 0 | 0 | 0 | 112.5 | D1041 M1046 S1047 | D1041-D1044 PolarHBondContact O-N 2.68Å; D1044-M1046 VanDerWaalsContact C-N 3.33Å; D1044-S1047 WeakPolarHBondContact O-CB 3.01Å; D1044-S1047 PolarHBondContact O-N 2.89Å |
| 1045 | I | 54.6 | Low | 51.1 | Low | 7 Ų | 7 | 79 Ų | 79 | 4% | 0.036 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.8 | -34.5 | 173.4 | -68 | 164.4 | 0 | 0 | 0 | 110.9 | D1041 N1042 Q1110 I1113 L1162 | D1041-I1045 HydrophobicContact CB-CD1 4.42Å; D1041-I1045 WeakPolarHBondContact O-CB 3.39Å; D1041-I1045 WeakPolarHBondContact O-CD1 3.48Å; D1041-I1045 WeakPolarHBondContact O-CG1 3.38Å; D1041-I1045 PolarHBondContact O-N 2.75Å; N1042-I1045 PolarHBondContact O-N 2.97Å; I1045-Q1110 HydrophobicContact CG2-CB 4.29Å; I1045-Q1110 VanDerWaalsContact O-CG 3.26Å; I1045-Q1110 WeakPolarHBondContact O-CG 3.48Å; I1045-I1113 HydrophobicContact CG2-CD1 3.29Å; I1045-L1162 HydrophobicContact CD1-CD1 4.18Å; I1045-L1162 HydrophobicContact CG2-CD2 4.15Å |
| 1046 | M | 56.6 | Low | 53.5 | Low | 61 Ų | 61 | 76.8 Ų | 76.8 | 30% | 0.3 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -85.4 | -11.9 | 175.9 | -64.2 | -57.9 | -73.5 | 0 | 0 | 113.1 | N1042 D1043 D1044 T1048 I1113 | N1042-M1046 WeakPolarHBondContact O-CB 3.25Å; N1042-M1046 WeakPolarHBondContact O-CG 3.25Å; N1042-M1046 PolarHBondContact O-N 2.82Å; D1043-M1046 CarbonylContact O-C 3.23Å; D1043-M1046 PolarHBondContact O-N 2.75Å; D1044-M1046 VanDerWaalsContact C-N 3.33Å; M1046-T1048 PolarHBondContact O-N 3.06Å; M1046-T1048 VanDerWaalsContact O-N 3.14Å; M1046-I1113 HydrophobicContact CE-CG2 4.26Å; M1046-I1113 HydrophobicContact SD-CG2 3.63Å |
| 1047 | S | 62.7 | Low | 55.9 | Low | 31 Ų | 31 | 71.1 Ų | 71.1 | 22% | 0.217 | 39% | 0.391 | C | S | . | . | trans | -65.3 | 112.8 | -177.1 | -176.3 | 0 | 0 | 0 | 0 | 110.3 | D1043 D1044 K1049 Q1110 | D1043-S1047 WeakPolarHBondContact O-CA 3Å; D1043-S1047 VanDerWaalsContact O-CB 3.3Å; D1043-S1047 WeakPolarHBondContact O-CB 3.02Å; D1043-S1047 PolarHBondContact O-N 3.19Å; D1044-S1047 WeakPolarHBondContact O-CB 3.01Å; D1044-S1047 PolarHBondContact O-N 2.89Å; S1047-K1049 PolarHBondContact O-N 3.44Å; S1047-Q1110 PolarHBondContact O-NE2 3.39Å | ||
| 1048 | T | 60.3 | Low | 58.5 | Low | 67 Ų | 67 | 67.5 Ų | 67.5 | 41% | 0.411 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -7.8 | 174.9 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | M1046 S1050 M1051 R1053 L1114 | M1046-T1048 PolarHBondContact O-N 3.06Å; M1046-T1048 VanDerWaalsContact O-N 3.14Å; T1048-S1050 PolarHBondContact O-N 3.22Å; T1048-M1051 CarbonylContact O-C 3.59Å; T1048-R1053 HydrophobicContact CG2-CG 4.28Å; T1048-L1114 HydrophobicContact CG2-CD2 4.27Å |
| 1049 | K | 64.8 | Low | 60.9 | Low | 199 Ų | 199 | 66.4 Ų | 66.4 | 87% | 0.865 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -40.9 | -178.6 | -71.7 | -177.6 | 177.4 | 174.3 | 0 | 112.7 | S1047 | S1047-K1049 PolarHBondContact O-N 3.44Š|
| 1050 | S | 61.3 | Low | 63.2 | Low | 52 Ų | 52 | 65.6 Ų | 65.6 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -21.3 | -176.5 | 61.9 | 0 | 0 | 0 | 0 | 113.3 | T1048 Q1110 | T1048-S1050 PolarHBondContact O-N 3.22Å; S1050-Q1110 PolarHBondContact OG-NE2 3.26Å |
| 1051 | M | 69.5 | Low | 65.6 | Low | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -157.1 | 109.7 | 177.8 | -169 | 151.8 | 57.7 | 0 | 0 | 108.9 | T1048 M1057 I1061 Q1110 A1111 L1114 | T1048-M1051 CarbonylContact O-C 3.59Å; M1051-M1057 HydrophobicContact SD-CG 4.22Å; M1051-M1057 HydrophobicContact SD-SD 4.23Å; M1051-I1061 HydrophobicContact CE-CD1 4.48Å; M1051-I1061 HydrophobicContact SD-CD1 3.88Å; M1051-Q1110 HydrophobicContact CE-CB 4.07Å; M1051-Q1110 HydrophobicContact CE-CG 3.69Å; M1051-A1111 HydrophobicContact CE-CB 3.7Å; M1051-L1114 HydrophobicContact CB-CD1 4.05Å; M1051-L1114 HydrophobicContact CE-CD1 4.31Å; M1051-L1114 HydrophobicContact CG-CD1 4.12Å; M1051-L1114 WeakPolarHBondContact O-CD1 3.41Å |
| 1052 | P | 66.2 | Low | 67.7 | Low | 73 Ų | 73 | 56 Ų | 56 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | trans | -66.7 | 150.9 | 179.2 | -17.8 | 28.7 | 0 | 0 | 0 | 112.2 | G1054 S1055 | P1052-G1054 PolarHBondContact O-N 3.08Å; P1052-S1055 VanDerWaalsContact O-CB 3.3Å; P1052-S1055 WeakPolarHBondContact O-CB 3.29Å; P1052-S1055 PolarHBondContact O-N 2.53Å; P1052-S1055 PolarHBondContact O-OG 3.41Å | ||
| 1053 | R | 65.1 | Low | 69.5 | Low | 164 Ų | 164 | 57.7 Ų | 57.7 | 62% | 0.619 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 134.9 | 169.7 | -73.8 | -174.8 | -178.4 | 128.4 | 0.7 | 109.9 | T1048 S1055 L1114 | T1048-R1053 HydrophobicContact CG2-CG 4.28Å; R1053-S1055 PolarHBondContact O-N 3.49Å; R1053-S1055 VanDerWaalsContact O-N 3.14Å; R1053-L1114 HydrophobicContact CG-CB 4.29Å; R1053-L1114 HydrophobicContact CG-CD2 3.47Å; R1053-L1114 VanDerWaalsContact CG-CD2 3.47Å; R1053-L1114 HydrophobicContact CG-CG 4.44Å |
| 1054 | G | 64.9 | Low | 71 | Confident | 35 Ų | 35 | 51.5 Ų | 51.5 | 36% | 0.361 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 5.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | P1052 L1056 Q1059 | P1052-G1054 PolarHBondContact O-N 3.08Å; G1054-L1056 PolarHBondContact O-N 2.91Å; G1054-Q1059 PolarHBondContact O-NE2 2.96Å |
| 1055 | S | 71.8 | Confident | 72.6 | Confident | 23 Ų | 23 | 46.8 Ų | 46.8 | 16% | 0.161 | 24% | 0.244 | C | C | . | . | trans | -59.8 | 139.7 | 174.8 | 59.4 | 0 | 0 | 0 | 0 | 110.4 | P1052 R1053 M1057 S1058 Q1059 | P1052-S1055 VanDerWaalsContact O-CB 3.3Å; P1052-S1055 WeakPolarHBondContact O-CB 3.29Å; P1052-S1055 PolarHBondContact O-N 2.53Å; P1052-S1055 PolarHBondContact O-OG 3.41Å; R1053-S1055 PolarHBondContact O-N 3.49Å; R1053-S1055 VanDerWaalsContact O-N 3.14Å; S1055-M1057 PolarHBondContact O-N 2.9Å; S1055-M1057 VanDerWaalsContact O-N 3.07Å; S1055-S1058 PolarHBondContact O-N 3.41Å; S1055-S1058 PolarHBondContact O-OG 3.01Å; S1055-S1058 WeakPolarHBondContact OG-CB 3.42Å; S1055-S1058 PolarHBondContact OG-N 3.2Å; S1055-S1058 PolarHBondContact OG-OG 2.92Å; S1055-Q1059 PolarHBondContact O-N 3.44Å | ||
| 1056 | L | 73.3 | Confident | 74.1 | Confident | 84 Ų | 84 | 48.7 Ų | 48.7 | 44% | 0.44 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -49.3 | -37.9 | 175.9 | -169.9 | 73.9 | 0 | 0 | 0 | 111.5 | G1054 S1058 Q1059 Q1060 | G1054-L1056 PolarHBondContact O-N 2.91Å; L1056-S1058 PolarHBondContact O-N 3.12Å; L1056-Q1059 WeakPolarHBondContact O-CB 3.3Å; L1056-Q1059 PolarHBondContact O-N 2.79Å; L1056-Q1060 HydrophobicContact CG-CG 4.45Å; L1056-Q1060 WeakPolarHBondContact O-CB 3.16Å; L1056-Q1060 VanDerWaalsContact O-CG 3.27Å; L1056-Q1060 WeakPolarHBondContact O-CG 3.46Å; L1056-Q1060 PolarHBondContact O-N 3.13Å |
| 1057 | M | 76.4 | Confident | 75.4 | Confident | 40 Ų | 40 | 47 Ų | 47 | 20% | 0.197 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.8 | -47.5 | 175.9 | -175.7 | -175.8 | -171.3 | 0 | 0 | 112.9 | Q972 M1051 S1055 Q1059 Q1060 I1061 R1107 | Q972-M1057 HydrophobicContact CG-CE 4.01Å; M1051-M1057 HydrophobicContact SD-CG 4.22Å; M1051-M1057 HydrophobicContact SD-SD 4.23Å; S1055-M1057 PolarHBondContact O-N 2.9Å; S1055-M1057 VanDerWaalsContact O-N 3.07Å; M1057-Q1059 VanDerWaalsContact C-N 3.28Å; M1057-Q1059 PolarHBondContact O-N 2.92Å; M1057-Q1060 PolarHBondContact O-N 3.27Å; M1057-I1061 HydrophobicContact CE-CD1 4.27Å; M1057-I1061 HydrophobicContact CG-CD1 4.2Å; M1057-I1061 WeakPolarHBondContact O-CG1 3.2Å; M1057-I1061 PolarHBondContact O-N 3.27Å; M1057-R1107 VanDerWaalsContact CE-NH2 3.33Å |
| 1058 | S | 82.4 | Confident | 76.4 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.3 | -37.9 | -179.9 | 73.7 | 0 | 0 | 0 | 0 | 111.4 | S1055 L1056 I1061 C1062 N1115 | S1055-S1058 PolarHBondContact O-N 3.41Å; S1055-S1058 PolarHBondContact O-OG 3.01Å; S1055-S1058 WeakPolarHBondContact OG-CB 3.42Å; S1055-S1058 PolarHBondContact OG-N 3.2Å; S1055-S1058 PolarHBondContact OG-OG 2.92Å; L1056-S1058 PolarHBondContact O-N 3.12Å; S1058-I1061 PolarHBondContact O-N 3.03Å; S1058-C1062 PolarHBondContact O-N 2.93Å; S1058-C1062 VanDerWaalsContact O-N 3.16Å; S1058-C1062 PolarHBondContact O-SG 3.49Å; S1058-N1115 VanDerWaalsContact C-ND2 3.28Å; S1058-N1115 VanDerWaalsContact CB-ND2 3.25Å; S1058-N1115 WeakPolarHBondContact CB-ND2 3.23Å; S1058-N1115 PolarHBondContact O-ND2 3.11Å; S1058-N1115 PolarHBondContact OG-ND2 3.03Å; S1058-N1115 PolarHBondContact OG-OD1 3.21Å |
| 1059 | Q | 82.6 | Confident | 77.6 | Confident | 42 Ų | 42 | 42.6 Ų | 42.6 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.5 | -44.9 | 177.5 | -61.3 | -178.3 | -16.6 | 0 | 0 | 111.3 | G1054 S1055 L1056 M1057 I1061 C1062 H1063 I1123 | G1054-Q1059 PolarHBondContact O-NE2 2.96Å; S1055-Q1059 PolarHBondContact O-N 3.44Å; L1056-Q1059 WeakPolarHBondContact O-CB 3.3Å; L1056-Q1059 PolarHBondContact O-N 2.79Å; M1057-Q1059 VanDerWaalsContact C-N 3.28Å; M1057-Q1059 PolarHBondContact O-N 2.92Å; Q1059-I1061 VanDerWaalsContact C-N 3.35Å; Q1059-I1061 PolarHBondContact O-N 3.45Å; Q1059-C1062 WeakPolarHBondContact O-CB 3.26Å; Q1059-C1062 PolarHBondContact O-N 3.41Å; Q1059-C1062 VanDerWaalsContact O-N 3.13Å; Q1059-H1063 PolarHBondContact O-CD2 3.49Å; Q1059-H1063 PolarHBondContact O-N 2.8Å; Q1059-I1123 HydrophobicContact CB-CD1 3.83Å; Q1059-I1123 HydrophobicContact CG-CD1 3.46Å; Q1059-I1123 VanDerWaalsContact CG-CD1 3.46Å; Q1059-I1123 HydrophobicContact CG-CG2 4.42Å; Q1059-I1123 VanDerWaalsContact NE2-CD1 3.31Å |
| 1060 | Q | 83 | Confident | 78.4 | Confident | 27 Ų | 27 | 35.5 Ų | 35.5 | 13% | 0.126 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61 | -40.6 | 175.9 | -76.3 | 173 | -22.6 | 0 | 0 | 112.3 | N925 A970 L1056 M1057 C1062 H1063 A1064 | N925-Q1060 PolarHBondContact OD1-NE2 3.14Å; A970-Q1060 HydrophobicContact CB-CB 4.29Å; A970-Q1060 PolarHBondContact O-OE1 3.12Å; L1056-Q1060 HydrophobicContact CG-CG 4.45Å; L1056-Q1060 WeakPolarHBondContact O-CB 3.16Å; L1056-Q1060 VanDerWaalsContact O-CG 3.27Å; L1056-Q1060 WeakPolarHBondContact O-CG 3.46Å; L1056-Q1060 PolarHBondContact O-N 3.13Å; M1057-Q1060 PolarHBondContact O-N 3.27Å; Q1060-C1062 VanDerWaalsContact C-N 3.33Å; Q1060-C1062 PolarHBondContact O-N 3.46Å; Q1060-H1063 PolarHBondContact O-N 3.28Å; Q1060-A1064 VanDerWaalsContact O-CB 3.29Å; Q1060-A1064 WeakPolarHBondContact O-CB 3.35Å; Q1060-A1064 PolarHBondContact O-N 3.39Å |
| 1061 | I | 86 | Confident | 79.2 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -40.8 | 174.3 | -69.2 | 168.7 | 0 | 0 | 0 | 111 | A970 M1051 M1057 S1058 Q1059 A1064 L1065 F1108 A1111 | A970-I1061 HydrophobicContact CB-CB 4.43Å; A970-I1061 HydrophobicContact CB-CG1 3.75Å; M1051-I1061 HydrophobicContact CE-CD1 4.48Å; M1051-I1061 HydrophobicContact SD-CD1 3.88Å; M1057-I1061 HydrophobicContact CE-CD1 4.27Å; M1057-I1061 HydrophobicContact CG-CD1 4.2Å; M1057-I1061 WeakPolarHBondContact O-CG1 3.2Å; M1057-I1061 PolarHBondContact O-N 3.27Å; S1058-I1061 PolarHBondContact O-N 3.03Å; Q1059-I1061 VanDerWaalsContact C-N 3.35Å; Q1059-I1061 PolarHBondContact O-N 3.45Å; I1061-A1064 PolarHBondContact O-N 2.97Å; I1061-L1065 HydrophobicContact CG2-CD1 3.87Å; I1061-L1065 HydrophobicContact CG2-CG 4.4Å; I1061-L1065 WeakPolarHBondContact O-CB 3.41Å; I1061-L1065 VanDerWaalsContact O-CG 3.28Å; I1061-L1065 WeakPolarHBondContact O-CG 3.39Å; I1061-L1065 PolarHBondContact O-N 3.49Å; I1061-F1108 HydrophobicContact CG2-CD1 3.68Å; I1061-F1108 HydrophobicContact CG2-CE1 4.19Å; I1061-A1111 HydrophobicContact CB-CB 3.92Å; I1061-A1111 HydrophobicContact CD1-CB 4.44Å; I1061-A1111 HydrophobicContact CG2-CB 3.53Å |
| 1062 | C | 85.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.8 | -42.4 | 177.4 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | S1058 Q1059 Q1060 L1065 N1066 A1111 L1126 V1127 | S1058-C1062 PolarHBondContact O-N 2.93Å; S1058-C1062 VanDerWaalsContact O-N 3.16Å; S1058-C1062 PolarHBondContact O-SG 3.49Å; Q1059-C1062 WeakPolarHBondContact O-CB 3.26Å; Q1059-C1062 PolarHBondContact O-N 3.41Å; Q1059-C1062 VanDerWaalsContact O-N 3.13Å; Q1060-C1062 VanDerWaalsContact C-N 3.33Å; Q1060-C1062 PolarHBondContact O-N 3.46Å; C1062-L1065 PolarHBondContact O-N 2.94Å; C1062-N1066 PolarHBondContact O-N 3.17Å; C1062-A1111 PolarHBondContact SG-O 2.91Å; C1062-L1126 HydrophobicContact CB-CD2 4.12Å; C1062-V1127 HydrophobicContact CB-CG2 4.24Å |
| 1063 | H | 84.3 | Confident | 80.6 | Confident | 77 Ų | 77 | 32.8 Ų | 32.8 | 36% | 0.356 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 173.6 | -83 | -64.6 | 0 | 0 | 0 | 112.5 | M927 Q1059 Q1060 L1065 N1066 L1067 | M927-H1063 HydrophobicContact CE-CB 4Å; M927-H1063 WeakPolarHBondContact CE-O 3.33Å; Q1059-H1063 PolarHBondContact O-CD2 3.49Å; Q1059-H1063 PolarHBondContact O-N 2.8Å; Q1060-H1063 PolarHBondContact O-N 3.28Å; H1063-L1065 PolarHBondContact O-N 3.14Å; H1063-N1066 WeakPolarHBondContact O-CB 3.09Å; H1063-N1066 PolarHBondContact O-N 3.31Å; H1063-L1067 PolarHBondContact O-N 3.33Å |
| 1064 | A | 85.4 | Confident | 81.2 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.3 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M927 V966 F969 A970 Q1060 I1061 N1066 L1067 V1068 | M927-A1064 HydrophobicContact SD-CB 4.02Å; V966-A1064 HydrophobicContact CG1-CB 4.22Å; V966-A1064 WeakPolarHBondContact O-CB 3.38Å; F969-A1064 HydrophobicContact CB-CB 3.7Å; A970-A1064 HydrophobicContact CB-CB 3.92Å; Q1060-A1064 VanDerWaalsContact O-CB 3.29Å; Q1060-A1064 WeakPolarHBondContact O-CB 3.35Å; Q1060-A1064 PolarHBondContact O-N 3.39Å; I1061-A1064 PolarHBondContact O-N 2.97Å; A1064-N1066 VanDerWaalsContact C-N 3.34Å; A1064-L1067 PolarHBondContact O-N 3.2Å; A1064-V1068 PolarHBondContact O-N 3.06Å; A1064-V1068 VanDerWaalsContact O-N 3.11Å |
| 1065 | L | 88.5 | Confident | 81.8 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 171.8 | -79.6 | 165.6 | 0 | 0 | 0 | 110.8 | V966 I1061 C1062 H1063 L1067 V1068 L1069 L1102 F1108 L1112 | V966-L1065 HydrophobicContact CG1-CD2 3.91Å; V966-L1065 HydrophobicContact CG1-CG 3.92Å; V966-L1065 HydrophobicContact CG2-CD2 4.43Å; I1061-L1065 HydrophobicContact CG2-CD1 3.87Å; I1061-L1065 HydrophobicContact CG2-CG 4.4Å; I1061-L1065 WeakPolarHBondContact O-CB 3.41Å; I1061-L1065 VanDerWaalsContact O-CG 3.28Å; I1061-L1065 WeakPolarHBondContact O-CG 3.39Å; I1061-L1065 PolarHBondContact O-N 3.49Å; C1062-L1065 PolarHBondContact O-N 2.94Å; H1063-L1065 PolarHBondContact O-N 3.14Å; L1065-L1067 VanDerWaalsContact C-N 3.33Å; L1065-L1067 PolarHBondContact O-N 3.28Å; L1065-V1068 PolarHBondContact O-N 3.14Å; L1065-L1069 HydrophobicContact CB-CD1 4.45Å; L1065-L1069 WeakPolarHBondContact O-CB 3.42Å; L1065-L1069 WeakPolarHBondContact O-CG 3.4Å; L1065-L1069 PolarHBondContact O-N 3.1Å; L1065-L1102 HydrophobicContact CD2-CB 4.32Å; L1065-F1108 HydrophobicContact CD1-CB 3.84Å; L1065-F1108 HydrophobicContact CD1-CD1 4.36Å; L1065-F1108 HydrophobicContact CD1-CG 4.1Å; L1065-F1108 HydrophobicContact CD2-CB 4.33Å; L1065-F1108 HydrophobicContact CD2-CD2 3.92Å; L1065-F1108 HydrophobicContact CD2-CE2 4.42Å; L1065-F1108 HydrophobicContact CD2-CG 4.05Å; L1065-F1108 HydrophobicContact CG-CG 4.46Å; L1065-L1112 HydrophobicContact CD1-CG 4.4Å |
| 1066 | N | 86.1 | Confident | 82.4 | Confident | 46 Ų | 46 | 25.7 Ų | 25.7 | 25% | 0.246 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.9 | -44.5 | 176.1 | -166.9 | 13.5 | 0 | 0 | 0 | 111.7 | C1062 H1063 A1064 V1068 L1069 S1070 L1126 L1130 | C1062-N1066 PolarHBondContact O-N 3.17Å; H1063-N1066 WeakPolarHBondContact O-CB 3.09Å; H1063-N1066 PolarHBondContact O-N 3.31Å; A1064-N1066 VanDerWaalsContact C-N 3.34Å; N1066-V1068 VanDerWaalsContact C-N 3.31Å; N1066-V1068 PolarHBondContact O-N 3.24Å; N1066-L1069 PolarHBondContact O-N 2.77Å; N1066-S1070 WeakPolarHBondContact O-CB 3.31Å; N1066-S1070 PolarHBondContact O-N 3.32Å; N1066-S1070 PolarHBondContact O-OG 2.93Å; N1066-L1126 HydrophobicContact CB-CD1 4.36Å; N1066-L1126 HydrophobicContact CB-CD2 4.42Å; N1066-L1126 WeakPolarHBondContact ND2-CD1 3.41Å; N1066-L1130 HydrophobicContact CB-CD1 4.04Å; N1066-L1130 HydrophobicContact CB-CD2 4.14Å; N1066-L1130 HydrophobicContact CB-CG 4.46Å; N1066-L1130 WeakPolarHBondContact OD1-CD2 3.43Å |
| 1067 | L | 83.1 | Confident | 82.6 | Confident | 25 Ų | 25 | 22.4 Ų | 22.4 | 13% | 0.131 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.3 | -33.8 | -179.4 | 175.5 | 151.5 | 0 | 0 | 0 | 113.4 | M927 F969 H1063 A1064 L1065 S1070 R1071 | M927-L1067 HydrophobicContact CE-CB 3.64Å; M927-L1067 HydrophobicContact CE-CD1 3.41Å; M927-L1067 VanDerWaalsContact CE-CD1 3.41Å; M927-L1067 HydrophobicContact CE-CG 4.14Å; M927-L1067 HydrophobicContact SD-CB 4.35Å; M927-L1067 HydrophobicContact SD-CD1 3.92Å; F969-L1067 HydrophobicContact CD1-CD1 4.48Å; F969-L1067 HydrophobicContact CD1-CD2 4.2Å; F969-L1067 HydrophobicContact CD2-CD2 3.76Å; F969-L1067 HydrophobicContact CE1-CD2 4.13Å; F969-L1067 HydrophobicContact CE2-CD2 3.67Å; F969-L1067 HydrophobicContact CG-CD2 4.03Å; F969-L1067 HydrophobicContact CZ-CD2 3.87Å; H1063-L1067 PolarHBondContact O-N 3.33Å; A1064-L1067 PolarHBondContact O-N 3.2Å; L1065-L1067 VanDerWaalsContact C-N 3.33Å; L1065-L1067 PolarHBondContact O-N 3.28Å; L1067-S1070 PolarHBondContact O-OG 3.01Å; L1067-R1071 VanDerWaalsContact CG-NH1 3.28Å; L1067-R1071 PolarHBondContact O-NH1 3.33Å; L1067-R1071 VanDerWaalsContact O-NH1 3.1Å |
| 1068 | V | 84 | Confident | 82.1 | Confident | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -82.8 | -41.4 | 176.5 | 177.6 | 0 | 0 | 0 | 0 | 111.3 | L962 L965 V966 F969 A1064 L1065 N1066 R1071 L1072 L1102 | L962-V1068 HydrophobicContact CD1-CG1 4.21Å; L965-V1068 HydrophobicContact CD2-CG2 3.79Å; V966-V1068 HydrophobicContact CG2-CB 4.21Å; V966-V1068 HydrophobicContact CG2-CG1 4.41Å; V966-V1068 HydrophobicContact CG2-CG2 3.86Å; F969-V1068 HydrophobicContact CD2-CG2 4.26Å; A1064-V1068 PolarHBondContact O-N 3.06Å; A1064-V1068 VanDerWaalsContact O-N 3.11Å; L1065-V1068 PolarHBondContact O-N 3.14Å; N1066-V1068 VanDerWaalsContact C-N 3.31Å; N1066-V1068 PolarHBondContact O-N 3.24Å; V1068-R1071 PolarHBondContact O-N 3.11Å; V1068-L1072 WeakPolarHBondContact O-CG 3.46Å; V1068-L1102 HydrophobicContact CG1-CD1 4.04Å |
| 1069 | L | 85.6 | Confident | 81.8 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.6 | -40.1 | -177.8 | -71.1 | 175.9 | 0 | 0 | 0 | 112.9 | L1065 N1066 R1071 L1072 W1073 I1099 L1102 L1130 | L1065-L1069 HydrophobicContact CB-CD1 4.45Å; L1065-L1069 WeakPolarHBondContact O-CB 3.42Å; L1065-L1069 WeakPolarHBondContact O-CG 3.4Å; L1065-L1069 PolarHBondContact O-N 3.1Å; N1066-L1069 PolarHBondContact O-N 2.77Å; L1069-R1071 PolarHBondContact O-N 3.24Å; L1069-L1072 HydrophobicContact CD2-CD1 4.38Å; L1069-L1072 WeakPolarHBondContact O-CA 3.46Å; L1069-L1072 WeakPolarHBondContact O-CB 3.42Å; L1069-L1072 PolarHBondContact O-N 3.05Å; L1069-W1073 HydrophobicContact CB-CH2 3.81Å; L1069-W1073 HydrophobicContact CB-CZ2 3.52Å; L1069-W1073 HydrophobicContact CB-CZ3 4.44Å; L1069-W1073 HydrophobicContact CD1-CH2 4.08Å; L1069-W1073 HydrophobicContact CD1-CZ2 4.1Å; L1069-W1073 HydrophobicContact CD2-CH2 3.84Å; L1069-W1073 HydrophobicContact CD2-CZ2 4.42Å; L1069-W1073 HydrophobicContact CD2-CZ3 4.23Å; L1069-W1073 HydrophobicContact CG-CH2 4.13Å; L1069-W1073 HydrophobicContact CG-CZ2 4.23Å; L1069-W1073 PolarHBondContact O-N 2.61Å; L1069-W1073 VanDerWaalsContact O-N 3.07Å; L1069-I1099 HydrophobicContact CD2-CB 4.35Å; L1069-I1099 HydrophobicContact CD2-CG1 3.84Å; L1069-I1099 HydrophobicContact CD2-CG2 4.16Å; L1069-L1102 HydrophobicContact CD2-CD1 3.89Å; L1069-L1102 HydrophobicContact CG-CD1 4.42Å; L1069-L1130 HydrophobicContact CD1-CD2 4.3Å |
| 1070 | S | 82.2 | Confident | 81.5 | Confident | 50 Ų | 50 | 29.3 Ų | 29.3 | 35% | 0.35 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -31.4 | 174.8 | 54 | 0 | 0 | 0 | 0 | 112.9 | N1066 L1067 L1072 P1074 | N1066-S1070 WeakPolarHBondContact O-CB 3.31Å; N1066-S1070 PolarHBondContact O-N 3.32Å; N1066-S1070 PolarHBondContact O-OG 2.93Å; L1067-S1070 PolarHBondContact O-OG 3.01Å; S1070-L1072 VanDerWaalsContact C-N 3.32Å; S1070-P1074 VanDerWaalsContact O-CD 3.31Å; S1070-P1074 WeakPolarHBondContact O-CD 3.31Å |
| 1071 | R | 77.5 | Confident | 81.1 | Confident | 56 Ų | 56 | 38.1 Ų | 38.1 | 21% | 0.211 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -22.3 | 171.9 | -71.1 | -175.9 | 166.6 | 95.1 | -6.1 | 113.9 | L1067 V1068 L1069 | L1067-R1071 VanDerWaalsContact CG-NH1 3.28Å; L1067-R1071 PolarHBondContact O-NH1 3.33Å; L1067-R1071 VanDerWaalsContact O-NH1 3.1Å; V1068-R1071 PolarHBondContact O-N 3.11Å; L1069-R1071 PolarHBondContact O-N 3.24Å |
| 1072 | L | 82.5 | Confident | 80.4 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -23.8 | -179.2 | -61.7 | 175.1 | 0 | 0 | 0 | 112.5 | L944 V1068 L1069 S1070 C1075 A1098 I1099 | L944-L1072 HydrophobicContact CD1-CD2 3.71Å; L944-L1072 HydrophobicContact CD2-CD2 4.08Å; V1068-L1072 WeakPolarHBondContact O-CG 3.46Å; L1069-L1072 HydrophobicContact CD2-CD1 4.38Å; L1069-L1072 WeakPolarHBondContact O-CA 3.46Å; L1069-L1072 WeakPolarHBondContact O-CB 3.42Å; L1069-L1072 PolarHBondContact O-N 3.05Å; S1070-L1072 VanDerWaalsContact C-N 3.32Å; L1072-C1075 WeakPolarHBondContact O-CB 3.44Å; L1072-C1075 PolarHBondContact O-N 3.18Å; L1072-A1098 HydrophobicContact CD1-CB 3.92Å; L1072-I1099 HydrophobicContact CB-CD1 4.46Å; L1072-I1099 HydrophobicContact CB-CG1 4.45Å; L1072-I1099 HydrophobicContact CD1-CG1 4.03Å |
| 1073 | W | 82.5 | Confident | 79.7 | Confident | 11 Ų | 11 | 43 Ų | 43 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -57.4 | -45.7 | -178.9 | -55 | 160.4 | 0 | 0 | 0 | 114.7 | L1069 C1075 L1076 I1099 L1130 E1133 V1134 I1137 | L1069-W1073 HydrophobicContact CB-CH2 3.81Å; L1069-W1073 HydrophobicContact CB-CZ2 3.52Å; L1069-W1073 HydrophobicContact CB-CZ3 4.44Å; L1069-W1073 HydrophobicContact CD1-CH2 4.08Å; L1069-W1073 HydrophobicContact CD1-CZ2 4.1Å; L1069-W1073 HydrophobicContact CD2-CH2 3.84Å; L1069-W1073 HydrophobicContact CD2-CZ2 4.42Å; L1069-W1073 HydrophobicContact CD2-CZ3 4.23Å; L1069-W1073 HydrophobicContact CG-CH2 4.13Å; L1069-W1073 HydrophobicContact CG-CZ2 4.23Å; L1069-W1073 PolarHBondContact O-N 2.61Å; L1069-W1073 VanDerWaalsContact O-N 3.07Å; W1073-C1075 PolarHBondContact O-N 3.16Å; W1073-L1076 PolarHBondContact O-N 3.2Å; W1073-I1099 HydrophobicContact CE3-CD1 4.06Å; W1073-I1099 HydrophobicContact CH2-CG2 4.43Å; W1073-I1099 HydrophobicContact CZ3-CD1 3.5Å; W1073-I1099 VanDerWaalsContact CZ3-CD1 3.5Å; W1073-I1099 HydrophobicContact CZ3-CG1 3.85Å; W1073-I1099 HydrophobicContact CZ3-CG2 4.29Å; W1073-L1130 HydrophobicContact CZ2-CD2 4.23Å; W1073-E1133 HydrophobicContact CZ2-CB 4.27Å; W1073-E1133 PolarHBondContact NE1-OE2 2.91Å; W1073-V1134 HydrophobicContact CH2-CG2 3.64Å; W1073-V1134 HydrophobicContact CZ2-CG2 4.24Å; W1073-I1137 HydrophobicContact CD2-CD1 3.96Å; W1073-I1137 HydrophobicContact CE3-CD1 3.24Å; W1073-I1137 HydrophobicContact CH2-CD1 4.21Å; W1073-I1137 HydrophobicContact CZ3-CD1 3.39Å |
| 1074 | P | 77.8 | Confident | 78.8 | Confident | 71 Ų | 71 | 45.2 Ų | 45.2 | 46% | 0.461 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -63.2 | -14 | -179.6 | -23.2 | 35.1 | 0 | 0 | 0 | 114.4 | S1070 L1076 N1080 | S1070-P1074 VanDerWaalsContact O-CD 3.31Å; S1070-P1074 WeakPolarHBondContact O-CD 3.31Å; P1074-L1076 VanDerWaalsContact C-N 3.35Å; P1074-N1080 WeakPolarHBondContact O-CB 3.4Å; P1074-N1080 PolarHBondContact O-ND2 3.17Å |
| 1075 | C | 78 | Confident | 78.3 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -80.6 | -17.5 | 176.2 | -60.4 | 0 | 0 | 0 | 0 | 112.9 | V870 L1072 W1073 L1091 Q1092 | V870-C1075 WeakPolarHBondContact CB-SG 3.2Å; V870-C1075 WeakPolarHBondContact CG1-SG 3.34Å; L1072-C1075 WeakPolarHBondContact O-CB 3.44Å; L1072-C1075 PolarHBondContact O-N 3.18Å; W1073-C1075 PolarHBondContact O-N 3.16Å; C1075-L1091 HydrophobicContact CB-CG 4.31Å; C1075-Q1092 WeakPolarHBondContact O-CG 3.41Å |
| 1076 | L | 83.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -118.4 | 147.9 | -165.1 | -70.6 | 156.4 | 0 | 0 | 0 | 111.8 | W1073 P1074 H1079 N1080 A1096 I1099 I1137 L1141 | W1073-L1076 PolarHBondContact O-N 3.2Å; P1074-L1076 VanDerWaalsContact C-N 3.35Å; L1076-H1079 PolarHBondContact O-N 3.1Å; L1076-H1079 VanDerWaalsContact O-N 3.16Å; L1076-N1080 PolarHBondContact O-N 3.26Å; L1076-A1096 HydrophobicContact CD2-CB 4.01Å; L1076-I1099 HydrophobicContact CD1-CD1 3.12Å; L1076-I1137 HydrophobicContact CB-CG2 4.31Å; L1076-I1137 HydrophobicContact CD1-CG2 4.26Å; L1076-L1141 HydrophobicContact CD2-CD2 4.01Å |
| 1077 | P | 76.8 | Confident | 76.8 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 142.2 | 168.7 | -19.9 | 33.6 | 0 | 0 | 0 | 111.4 | N1080 P1082 C1140 | P1077-N1080 VanDerWaalsContact CA-O 3.3Å; P1077-N1080 WeakPolarHBondContact CA-O 3.49Å; P1077-N1080 WeakPolarHBondContact CB-O 3.43Å; P1077-P1082 HydrophobicContact CG-CB 4.47Å; P1077-C1140 HydrophobicContact CB-CB 3.95Å |
| 1078 | P | 67 | Low | 76.5 | Confident | 67 Ų | 67 | 55.2 Ų | 55.2 | 44% | 0.435 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -87.9 | -10.1 | 12.7 | 32.6 | -32.8 | 0 | 0 | 0 | 115.5 | N1080 L1136 | P1078-N1080 PolarHBondContact O-N 3.36Å; P1078-L1136 HydrophobicContact CG-CD1 4.42Å; P1078-L1136 HydrophobicContact CG-CD2 3.55Å; P1078-L1136 HydrophobicContact CG-CG 3.8Å |
| 1079 | H | 75.5 | Confident | 76.2 | Confident | 104 Ų | 104 | 56.4 Ų | 56.4 | 48% | 0.481 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -30.3 | 179.7 | -59.2 | -77.2 | 0 | 0 | 0 | 112.8 | L1076 | L1076-H1079 PolarHBondContact O-N 3.1Å; L1076-H1079 VanDerWaalsContact O-N 3.16Å |
| 1080 | N | 76.5 | Confident | 75.8 | Confident | 56 Ų | 56 | 58 Ų | 58 | 30% | 0.299 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -118.7 | 157.3 | 174.8 | -153.8 | -22.6 | 0 | 0 | 0 | 111.9 | P1074 L1076 P1077 P1078 | P1074-N1080 WeakPolarHBondContact O-CB 3.4Å; P1074-N1080 PolarHBondContact O-ND2 3.17Å; L1076-N1080 PolarHBondContact O-N 3.26Å; P1077-N1080 VanDerWaalsContact CA-O 3.3Å; P1077-N1080 WeakPolarHBondContact CA-O 3.49Å; P1077-N1080 WeakPolarHBondContact CB-O 3.43Å; P1078-N1080 PolarHBondContact O-N 3.36Å |
| 1081 | R | 75 | Confident | 75.7 | Confident | 213 Ų | 213 | 56.2 Ų | 56.2 | 80% | 0.804 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 142.6 | 171.7 | -65 | -179.5 | -177.3 | 174.3 | 1.1 | 109.8 | A1083 Q1092 | R1081-A1083 PolarHBondContact O-N 3.32Å; R1081-Q1092 PolarHBondContact O-NE2 3.08Å; R1081-Q1092 VanDerWaalsContact O-NE2 3.09Å |
| 1082 | P | 70.3 | Confident | 76.1 | Confident | 84 Ų | 84 | 53.8 Ų | 53.8 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 135.6 | 174 | 22.4 | -31.4 | 0 | 0 | 0 | 110.3 | P1077 T1084 | P1077-P1082 HydrophobicContact CG-CB 4.47Å; P1082-T1084 PolarHBondContact O-N 3.07Å |
| 1083 | A | 71.4 | Confident | 76.1 | Confident | 19 Ų | 19 | 54.3 Ų | 54.3 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -59 | 126.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1081 E1088 L1089 Q1092 | R1081-A1083 PolarHBondContact O-N 3.32Å; A1083-E1088 HydrophobicContact CB-CB 3.62Å; A1083-L1089 HydrophobicContact CB-CB 3.93Å; A1083-Q1092 VanDerWaalsContact N-OE1 3.12Å |
| 1084 | T | 66.1 | Low | 76.2 | Confident | 122 Ų | 122 | 54 Ų | 54 | 75% | 0.748 | 30% | 0.297 | S | S | * | . | trans | -99.1 | -32.6 | 170.7 | 58 | 0 | 0 | 0 | 0 | 110.5 | P1082 E1088 | P1082-T1084 PolarHBondContact O-N 3.07Å; T1084-E1088 PolarHBondContact N-OE2 2.88Å; T1084-E1088 VanDerWaalsContact N-OE2 3.1Å; T1084-E1088 PolarHBondContact OG1-OE2 3.09Å | ||
| 1085 | N | 73.9 | Confident | 76.6 | Confident | 90 Ų | 90 | 50.7 Ų | 50.7 | 48% | 0.481 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -94.4 | 150.3 | -177.9 | -66.5 | -47.5 | 0 | 0 | 0 | 112.4 | I1087 E1088 L1089 | N1085-I1087 PolarHBondContact O-N 2.8Å; N1085-I1087 VanDerWaalsContact O-N 3.17Å; N1085-E1088 HydrophobicContact CB-CB 4.42Å; N1085-E1088 HydrophobicContact CB-CG 4.21Å; N1085-E1088 PolarHBondContact N-OE2 2.91Å; N1085-E1088 PolarHBondContact ND2-OE1 2.78Å; N1085-E1088 PolarHBondContact O-N 2.82Å; N1085-L1089 VanDerWaalsContact O-CB 3.31Å; N1085-L1089 WeakPolarHBondContact O-CB 3.32Å; N1085-L1089 PolarHBondContact O-N 3.17Å |
| 1086 | S | 74.8 | Confident | 77.1 | Confident | 76 Ų | 76 | 50.6 Ų | 50.6 | 53% | 0.531 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.3 | -25.6 | 177.3 | -179.4 | 0 | 0 | 0 | 0 | 113.7 | A1090 | S1086-A1090 PolarHBondContact O-N 3.36Å |
| 1087 | I | 67.7 | Low | 77.3 | Confident | 40 Ų | 40 | 54.4 Ų | 54.4 | 21% | 0.205 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -79.4 | -51.1 | -178.6 | -58.1 | 167.3 | 0 | 0 | 0 | 109.7 | G876 N1085 L1089 A1090 L1091 | G876-I1087 VanDerWaalsContact O-CD1 3.29Å; G876-I1087 WeakPolarHBondContact O-CD1 3.45Å; N1085-I1087 PolarHBondContact O-N 2.8Å; N1085-I1087 VanDerWaalsContact O-N 3.17Å; I1087-L1089 PolarHBondContact O-N 3.04Å; I1087-A1090 WeakPolarHBondContact O-CA 3.09Å; I1087-A1090 WeakPolarHBondContact O-CB 3.14Å; I1087-A1090 PolarHBondContact O-N 3.29Å; I1087-L1091 PolarHBondContact O-N 3.49Å |
| 1088 | E | 76.9 | Confident | 77.9 | Confident | 77 Ų | 77 | 53.7 Ų | 53.7 | 36% | 0.36 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -52.5 | -41.3 | 171 | -70 | 161 | -157.5 | 0 | 0 | 110.8 | A1083 T1084 N1085 A1090 L1091 Q1092 | A1083-E1088 HydrophobicContact CB-CB 3.62Å; T1084-E1088 PolarHBondContact N-OE2 2.88Å; T1084-E1088 VanDerWaalsContact N-OE2 3.1Å; T1084-E1088 PolarHBondContact OG1-OE2 3.09Å; N1085-E1088 HydrophobicContact CB-CB 4.42Å; N1085-E1088 HydrophobicContact CB-CG 4.21Å; N1085-E1088 PolarHBondContact N-OE2 2.91Å; N1085-E1088 PolarHBondContact ND2-OE1 2.78Å; N1085-E1088 PolarHBondContact O-N 2.82Å; E1088-A1090 VanDerWaalsContact C-N 3.35Å; E1088-A1090 PolarHBondContact O-N 2.87Å; E1088-L1091 PolarHBondContact O-N 3.23Å; E1088-Q1092 WeakPolarHBondContact O-CB 3.48Å; E1088-Q1092 WeakPolarHBondContact O-CG 3.3Å; E1088-Q1092 PolarHBondContact O-N 2.94Å |
| 1089 | L | 78.3 | Confident | 78.9 | Confident | 26 Ų | 26 | 50.5 Ų | 50.5 | 14% | 0.136 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 177.1 | -177.7 | 124.2 | 0 | 0 | 0 | 112.8 | A1083 N1085 I1087 Q1093 Q1146 | A1083-L1089 HydrophobicContact CB-CB 3.93Å; N1085-L1089 VanDerWaalsContact O-CB 3.31Å; N1085-L1089 WeakPolarHBondContact O-CB 3.32Å; N1085-L1089 PolarHBondContact O-N 3.17Å; I1087-L1089 PolarHBondContact O-N 3.04Å; L1089-Q1093 WeakPolarHBondContact O-CB 3.1Å; L1089-Q1093 WeakPolarHBondContact O-CG 3.31Å; L1089-Q1093 PolarHBondContact O-N 2.81Å; L1089-Q1146 HydrophobicContact CD1-CB 4.09Å; L1089-Q1146 VanDerWaalsContact CD1-CD 3.44Å; L1089-Q1146 HydrophobicContact CD1-CG 3.45Å; L1089-Q1146 VanDerWaalsContact CD1-CG 3.45Å |
| 1090 | A | 77.6 | Confident | 79.6 | Confident | 37 Ų | 37 | 45.7 Ų | 45.7 | 31% | 0.306 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.1 | -39.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1086 I1087 E1088 Q1093 S1094 | S1086-A1090 PolarHBondContact O-N 3.36Å; I1087-A1090 WeakPolarHBondContact O-CA 3.09Å; I1087-A1090 WeakPolarHBondContact O-CB 3.14Å; I1087-A1090 PolarHBondContact O-N 3.29Å; E1088-A1090 VanDerWaalsContact C-N 3.35Å; E1088-A1090 PolarHBondContact O-N 2.87Å; A1090-Q1093 PolarHBondContact O-N 3.39Å; A1090-S1094 PolarHBondContact O-N 3.39Å; A1090-S1094 PolarHBondContact O-OG 3.15Å |
| 1091 | L | 80.4 | Confident | 80.1 | Confident | 14 Ų | 14 | 45.9 Ų | 45.9 | 7% | 0.073 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 175.5 | 175.7 | 58.4 | 0 | 0 | 0 | 112.2 | V870 M873 C1075 I1087 E1088 Q1093 S1094 S1095 | V870-L1091 HydrophobicContact CG1-CD1 3.39Å; V870-L1091 HydrophobicContact CG1-CD2 4.06Å; V870-L1091 HydrophobicContact CG1-CG 4.33Å; M873-L1091 HydrophobicContact SD-CB 3.86Å; M873-L1091 HydrophobicContact SD-CD1 3.74Å; M873-L1091 HydrophobicContact SD-CD2 4.27Å; M873-L1091 HydrophobicContact SD-CG 4.15Å; C1075-L1091 HydrophobicContact CB-CG 4.31Å; I1087-L1091 PolarHBondContact O-N 3.49Å; E1088-L1091 PolarHBondContact O-N 3.23Å; L1091-Q1093 VanDerWaalsContact C-N 3.27Å; L1091-Q1093 PolarHBondContact O-N 3.27Å; L1091-S1094 WeakPolarHBondContact CA-OG 3.41Å; L1091-S1094 PolarHBondContact O-N 3.1Å; L1091-S1094 PolarHBondContact O-OG 3.1Å; L1091-S1095 WeakPolarHBondContact O-CB 3.44Å; L1091-S1095 PolarHBondContact O-N 3.08Å; L1091-S1095 PolarHBondContact O-OG 3.28Å |
| 1092 | Q | 84.4 | Confident | 80.8 | Confident | 5 Ų | 5 | 35.8 Ų | 35.8 | 2% | 0.023 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -35.9 | 173.4 | -77.4 | 179.6 | -1.6 | 0 | 0 | 111.3 | C1075 R1081 A1083 E1088 S1095 A1096 L1149 | C1075-Q1092 WeakPolarHBondContact O-CG 3.41Å; R1081-Q1092 PolarHBondContact O-NE2 3.08Å; R1081-Q1092 VanDerWaalsContact O-NE2 3.09Å; A1083-Q1092 VanDerWaalsContact N-OE1 3.12Å; E1088-Q1092 WeakPolarHBondContact O-CB 3.48Å; E1088-Q1092 WeakPolarHBondContact O-CG 3.3Å; E1088-Q1092 PolarHBondContact O-N 2.94Å; Q1092-S1095 WeakPolarHBondContact CA-OG 3.35Å; Q1092-S1095 PolarHBondContact O-OG 3.19Å; Q1092-S1095 VanDerWaalsContact O-OG 3.09Å; Q1092-A1096 WeakPolarHBondContact O-CB 3.28Å; Q1092-A1096 PolarHBondContact O-N 2.68Å; Q1092-L1149 HydrophobicContact CB-CD1 4.4Å; Q1092-L1149 HydrophobicContact CB-CD2 3.99Å |
| 1093 | Q | 84.6 | Confident | 81.6 | Confident | 13 Ų | 13 | 32 Ų | 32 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.1 | -39.7 | 176 | -78.5 | 171.5 | 25.1 | 0 | 0 | 113.4 | L1089 A1090 L1091 R1097 K1148 L1149 | L1089-Q1093 WeakPolarHBondContact O-CB 3.1Å; L1089-Q1093 WeakPolarHBondContact O-CG 3.31Å; L1089-Q1093 PolarHBondContact O-N 2.81Å; A1090-Q1093 PolarHBondContact O-N 3.39Å; L1091-Q1093 VanDerWaalsContact C-N 3.27Å; L1091-Q1093 PolarHBondContact O-N 3.27Å; Q1093-R1097 VanDerWaalsContact O-CB 3.31Å; Q1093-R1097 WeakPolarHBondContact O-CB 3.43Å; Q1093-R1097 VanDerWaalsContact O-CG 3.3Å; Q1093-R1097 WeakPolarHBondContact O-CG 3.17Å; Q1093-R1097 PolarHBondContact O-N 2.83Å; Q1093-K1148 HydrophobicContact CG-CB 4.49Å; Q1093-L1149 HydrophobicContact CG-CD2 3.71Å; Q1093-L1149 HydrophobicContact CG-CG 4.36Å |
| 1094 | S | 83.4 | Confident | 82.4 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.6 | -47.3 | 178.4 | 51.8 | 0 | 0 | 0 | 0 | 111.3 | L944 C948 A1090 L1091 R1097 A1098 | L944-S1094 WeakPolarHBondContact O-CB 3.38Å; C948-S1094 VanDerWaalsContact SG-CA 3.54Å; C948-S1094 PolarHBondContact SG-N 3.25Å; A1090-S1094 PolarHBondContact O-N 3.39Å; A1090-S1094 PolarHBondContact O-OG 3.15Å; L1091-S1094 WeakPolarHBondContact CA-OG 3.41Å; L1091-S1094 PolarHBondContact O-N 3.1Å; L1091-S1094 PolarHBondContact O-OG 3.1Å; S1094-R1097 PolarHBondContact O-N 3.19Å; S1094-A1098 WeakPolarHBondContact O-CB 3.29Å; S1094-A1098 PolarHBondContact O-N 3.04Å |
| 1095 | S | 85.6 | Confident | 83.3 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.7 | -49.6 | 176.4 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | L1091 Q1092 R1097 A1098 I1099 | L1091-S1095 WeakPolarHBondContact O-CB 3.44Å; L1091-S1095 PolarHBondContact O-N 3.08Å; L1091-S1095 PolarHBondContact O-OG 3.28Å; Q1092-S1095 WeakPolarHBondContact CA-OG 3.35Å; Q1092-S1095 PolarHBondContact O-OG 3.19Å; Q1092-S1095 VanDerWaalsContact O-OG 3.09Å; S1095-R1097 VanDerWaalsContact C-N 3.29Å; S1095-R1097 PolarHBondContact O-N 2.9Å; S1095-A1098 WeakPolarHBondContact O-CB 3.41Å; S1095-A1098 PolarHBondContact O-N 3.2Å; S1095-A1098 VanDerWaalsContact O-N 3.12Å; S1095-I1099 WeakPolarHBondContact O-CD1 3.46Å; S1095-I1099 WeakPolarHBondContact O-CG1 3.33Å; S1095-I1099 PolarHBondContact O-N 3.49Å |
| 1096 | A | 88.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.8 | -36 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1076 Q1092 C1100 L1141 L1152 | L1076-A1096 HydrophobicContact CD2-CB 4.01Å; Q1092-A1096 WeakPolarHBondContact O-CB 3.28Å; Q1092-A1096 PolarHBondContact O-N 2.68Å; A1096-C1100 WeakPolarHBondContact O-CB 3.38Å; A1096-C1100 PolarHBondContact O-N 3.22Å; A1096-C1100 PolarHBondContact O-SG 2.71Å; A1096-L1141 HydrophobicContact CB-CD1 4.01Å; A1096-L1152 HydrophobicContact CB-CB 4.09Å; A1096-L1152 HydrophobicContact CB-CD1 3.69Å; A1096-L1152 HydrophobicContact CB-CG 4.48Å |
| 1097 | R | 88.8 | Confident | 84.3 | Confident | 80 Ų | 80 | 30.6 Ų | 30.6 | 30% | 0.302 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -67.8 | -40.6 | 173.5 | -84.4 | -179.7 | 179.6 | 158.3 | 6.4 | 112.8 | L947 Q1093 S1094 S1095 I1099 C1100 L1101 L1152 | L947-R1097 PolarHBondContact O-NH1 3.17Å; Q1093-R1097 VanDerWaalsContact O-CB 3.31Å; Q1093-R1097 WeakPolarHBondContact O-CB 3.43Å; Q1093-R1097 VanDerWaalsContact O-CG 3.3Å; Q1093-R1097 WeakPolarHBondContact O-CG 3.17Å; Q1093-R1097 PolarHBondContact O-N 2.83Å; S1094-R1097 PolarHBondContact O-N 3.19Å; S1095-R1097 VanDerWaalsContact C-N 3.29Å; S1095-R1097 PolarHBondContact O-N 2.9Å; R1097-I1099 VanDerWaalsContact C-N 3.34Å; R1097-C1100 WeakPolarHBondContact O-CB 3.11Å; R1097-C1100 PolarHBondContact O-N 3.33Å; R1097-L1101 WeakPolarHBondContact O-CG 3.03Å; R1097-L1101 PolarHBondContact O-N 3.01Å; R1097-L1152 HydrophobicContact CG-CD1 3.89Å; R1097-L1152 HydrophobicContact CG-CD2 3.59Å; R1097-L1152 HydrophobicContact CG-CG 4.42Å |
| 1098 | A | 88.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.9 | -48.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L944 L947 L962 L1072 S1094 S1095 C1100 L1101 L1102 | L944-A1098 HydrophobicContact CD2-CB 3.48Å; L944-A1098 VanDerWaalsContact CD2-CB 3.48Å; L947-A1098 HydrophobicContact CD1-CB 3.92Å; L962-A1098 HydrophobicContact CD2-CB 3.67Å; L1072-A1098 HydrophobicContact CD1-CB 3.92Å; S1094-A1098 WeakPolarHBondContact O-CB 3.29Å; S1094-A1098 PolarHBondContact O-N 3.04Å; S1095-A1098 WeakPolarHBondContact O-CB 3.41Å; S1095-A1098 PolarHBondContact O-N 3.2Å; S1095-A1098 VanDerWaalsContact O-N 3.12Å; A1098-C1100 PolarHBondContact O-N 3.27Å; A1098-L1101 WeakPolarHBondContact O-CB 3.07Å; A1098-L1101 PolarHBondContact O-N 3.3Å; A1098-L1101 VanDerWaalsContact O-N 3.12Å; A1098-L1102 WeakPolarHBondContact O-CG 3.39Å; A1098-L1102 PolarHBondContact O-N 2.92Å |
| 1099 | I | 89.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 175.9 | -58.5 | 154.1 | 0 | 0 | 0 | 110.6 | L1069 L1072 W1073 L1076 S1095 R1097 L1101 L1102 M1103 L1156 | L1069-I1099 HydrophobicContact CD2-CB 4.35Å; L1069-I1099 HydrophobicContact CD2-CG1 3.84Å; L1069-I1099 HydrophobicContact CD2-CG2 4.16Å; L1072-I1099 HydrophobicContact CB-CD1 4.46Å; L1072-I1099 HydrophobicContact CB-CG1 4.45Å; L1072-I1099 HydrophobicContact CD1-CG1 4.03Å; W1073-I1099 HydrophobicContact CE3-CD1 4.06Å; W1073-I1099 HydrophobicContact CH2-CG2 4.43Å; W1073-I1099 HydrophobicContact CZ3-CD1 3.5Å; W1073-I1099 VanDerWaalsContact CZ3-CD1 3.5Å; W1073-I1099 HydrophobicContact CZ3-CG1 3.85Å; W1073-I1099 HydrophobicContact CZ3-CG2 4.29Å; L1076-I1099 HydrophobicContact CD1-CD1 3.12Å; S1095-I1099 WeakPolarHBondContact O-CD1 3.46Å; S1095-I1099 WeakPolarHBondContact O-CG1 3.33Å; S1095-I1099 PolarHBondContact O-N 3.49Å; R1097-I1099 VanDerWaalsContact C-N 3.34Å; I1099-L1101 VanDerWaalsContact C-N 3.26Å; I1099-L1101 PolarHBondContact O-N 3.42Å; I1099-L1102 PolarHBondContact O-N 2.84Å; I1099-M1103 HydrophobicContact CG2-CG 4.02Å; I1099-M1103 WeakPolarHBondContact O-CB 3.39Å; I1099-M1103 VanDerWaalsContact O-CG 3.31Å; I1099-M1103 WeakPolarHBondContact O-CG 3.3Å; I1099-M1103 PolarHBondContact O-N 3.34Å; I1099-L1156 HydrophobicContact CB-CD2 4.35Å; I1099-L1156 HydrophobicContact CG2-CD1 4.4Å; I1099-L1156 HydrophobicContact CG2-CD2 3.68Å |
| 1100 | C | 88.3 | Confident | 86.2 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.8 | -36.8 | 176.1 | -73.1 | 0 | 0 | 0 | 0 | 113 | A1096 R1097 A1098 K1104 Q1155 L1156 | A1096-C1100 WeakPolarHBondContact O-CB 3.38Å; A1096-C1100 PolarHBondContact O-N 3.22Å; A1096-C1100 PolarHBondContact O-SG 2.71Å; R1097-C1100 WeakPolarHBondContact O-CB 3.11Å; R1097-C1100 PolarHBondContact O-N 3.33Å; A1098-C1100 PolarHBondContact O-N 3.27Å; C1100-K1104 WeakPolarHBondContact O-CB 3.35Å; C1100-K1104 PolarHBondContact O-N 2.87Å; C1100-K1104 VanDerWaalsContact O-N 3.12Å; C1100-Q1155 HydrophobicContact CB-CG 4.43Å; C1100-L1156 HydrophobicContact CB-CD2 4.38Å |
| 1101 | L | 87.4 | Confident | 86.5 | Confident | 61 Ų | 61 | 23.3 Ų | 23.3 | 32% | 0.319 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -70.8 | -45.8 | 178.3 | -74.6 | 170.8 | 0 | 0 | 0 | 111.4 | L947 R1097 A1098 I1099 K1104 H1105 | L947-L1101 HydrophobicContact CD1-CD1 4.26Å; L947-L1101 HydrophobicContact CD2-CD1 3.65Å; R1097-L1101 WeakPolarHBondContact O-CG 3.03Å; R1097-L1101 PolarHBondContact O-N 3.01Å; A1098-L1101 WeakPolarHBondContact O-CB 3.07Å; A1098-L1101 PolarHBondContact O-N 3.3Å; A1098-L1101 VanDerWaalsContact O-N 3.12Å; I1099-L1101 VanDerWaalsContact C-N 3.26Å; I1099-L1101 PolarHBondContact O-N 3.42Å; L1101-K1104 PolarHBondContact O-N 3.2Å; L1101-H1105 PolarHBondContact O-N 3.16Å |
| 1102 | L | 89.9 | Confident | 86.8 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.7 | -49.6 | 176.9 | -66.9 | 177.6 | 0 | 0 | 0 | 110.8 | L962 V966 L1065 V1068 L1069 A1098 I1099 K1104 H1105 F1108 | L962-L1102 HydrophobicContact CD2-CD1 4.45Å; L962-L1102 HydrophobicContact CD2-CD2 4.3Å; L962-L1102 HydrophobicContact CD2-CG 4.15Å; L962-L1102 HydrophobicContact CG-CD2 4.18Å; L962-L1102 HydrophobicContact CG-CG 4.49Å; V966-L1102 HydrophobicContact CG2-CD1 4.46Å; V966-L1102 HydrophobicContact CG2-CD2 3.72Å; L1065-L1102 HydrophobicContact CD2-CB 4.32Å; V1068-L1102 HydrophobicContact CG1-CD1 4.04Å; L1069-L1102 HydrophobicContact CD2-CD1 3.89Å; L1069-L1102 HydrophobicContact CG-CD1 4.42Å; A1098-L1102 WeakPolarHBondContact O-CG 3.39Å; A1098-L1102 PolarHBondContact O-N 2.92Å; I1099-L1102 PolarHBondContact O-N 2.84Å; L1102-K1104 PolarHBondContact O-N 3.24Å; L1102-K1104 VanDerWaalsContact O-N 3.14Å; L1102-H1105 PolarHBondContact O-N 2.91Å; L1102-H1105 VanDerWaalsContact O-N 3.12Å; L1102-F1108 HydrophobicContact CD2-CD2 4.15Å; L1102-F1108 HydrophobicContact CD2-CE2 3.7Å; L1102-F1108 WeakPolarHBondContact O-CD2 3.5Å |
| 1103 | M | 88.4 | Confident | 86.8 | Confident | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.02 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -10.8 | 177.7 | -64.3 | -54.9 | -69.6 | 0 | 0 | 113.7 | I1099 R1109 L1112 L1131 V1134 L1156 L1160 F1163 | I1099-M1103 HydrophobicContact CG2-CG 4.02Å; I1099-M1103 WeakPolarHBondContact O-CB 3.39Å; I1099-M1103 VanDerWaalsContact O-CG 3.31Å; I1099-M1103 WeakPolarHBondContact O-CG 3.3Å; I1099-M1103 PolarHBondContact O-N 3.34Å; M1103-R1109 PolarHBondContact O-NE 3.32Å; M1103-R1109 PolarHBondContact O-NH2 2.91Å; M1103-R1109 VanDerWaalsContact O-NH2 3.12Å; M1103-L1112 HydrophobicContact CE-CD1 3.94Å; M1103-L1112 HydrophobicContact SD-CD1 4.15Å; M1103-L1131 HydrophobicContact CE-CD2 4.06Å; M1103-V1134 HydrophobicContact SD-CG2 4.49Å; M1103-L1156 HydrophobicContact CG-CD2 4.44Å; M1103-L1160 HydrophobicContact CE-CD2 4.42Å; M1103-F1163 HydrophobicContact CE-CE2 3.92Å; M1103-F1163 HydrophobicContact CE-CZ 4.22Å |
| 1104 | K | 86.3 | Confident | 86.7 | Confident | 75 Ų | 75 | 22.7 Ų | 22.7 | 33% | 0.326 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -24.2 | 173.5 | -170.3 | 179.7 | 179.8 | -162.7 | 0 | 112.8 | Y1036 C1100 L1101 L1102 W1106 | Y1036-K1104 HydrophobicContact CE1-CD 4.4Å; Y1036-K1104 VanDerWaalsContact CE1-CE 3.45Å; C1100-K1104 WeakPolarHBondContact O-CB 3.35Å; C1100-K1104 PolarHBondContact O-N 2.87Å; C1100-K1104 VanDerWaalsContact O-N 3.12Å; L1101-K1104 PolarHBondContact O-N 3.2Å; L1102-K1104 PolarHBondContact O-N 3.24Å; L1102-K1104 VanDerWaalsContact O-N 3.14Å; K1104-W1106 PolarHBondContact O-N 2.95Å |
| 1105 | H | 86 | Confident | 86.6 | Confident | 39 Ų | 39 | 22.5 Ų | 22.5 | 18% | 0.181 | 10% | 0.095 | C | C | . | . | trans | -68 | 123.8 | -176.4 | -166.9 | -74.5 | 0 | 0 | 0 | 110.9 | Y967 L1101 L1102 R1107 F1108 R1109 | Y967-H1105 PolarHBondContact OH-CE1 3.35Å; L1101-H1105 PolarHBondContact O-N 3.16Å; L1102-H1105 PolarHBondContact O-N 2.91Å; L1102-H1105 VanDerWaalsContact O-N 3.12Å; H1105-R1107 PolarHBondContact ND1-N 3.39Å; H1105-R1107 PolarHBondContact O-N 3.45Å; H1105-F1108 HydrophobicContact CB-CB 4.29Å; H1105-F1108 HydrophobicContact CB-CD2 3.51Å; H1105-F1108 HydrophobicContact CB-CE2 3.99Å; H1105-F1108 HydrophobicContact CB-CG 4.02Å; H1105-F1108 AromaticContact CG-CD2 3.94Å; H1105-F1108 PolarHBondContact O-N 3.18Å; H1105-F1108 VanDerWaalsContact O-N 3.14Å; H1105-R1109 PolarHBondContact O-N 3.19Å; H1105-R1109 VanDerWaalsContact O-N 3.09Å | ||
| 1106 | W | 83 | Confident | 86.3 | Confident | 102 Ų | 102 | 23 Ų | 23 | 39% | 0.386 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -61.2 | -42.3 | -171.8 | 74.1 | -88.3 | 0 | 0 | 0 | 113.1 | K1104 F1108 R1109 Q1110 | K1104-W1106 PolarHBondContact O-N 2.95Å; W1106-F1108 VanDerWaalsContact C-N 3.28Å; W1106-F1108 PolarHBondContact O-N 3.22Å; W1106-R1109 WeakPolarHBondContact O-CB 3.48Å; W1106-R1109 PolarHBondContact O-N 3.4Å; W1106-Q1110 WeakPolarHBondContact O-CB 3.32Å; W1106-Q1110 PolarHBondContact O-N 2.86Å |
| 1107 | R | 86 | Confident | 85.6 | Confident | 63 Ų | 63 | 28.5 Ų | 28.5 | 24% | 0.238 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.2 | -30.8 | 177.3 | -61.5 | -165.5 | 73.9 | 179.8 | 9.7 | 113.6 | Y967 M1057 H1105 A1111 | Y967-R1107 WeakPolarHBondContact OH-CB 3.29Å; Y967-R1107 VanDerWaalsContact OH-CD 3.26Å; Y967-R1107 WeakPolarHBondContact OH-CD 3.26Å; M1057-R1107 VanDerWaalsContact CE-NH2 3.33Å; H1105-R1107 PolarHBondContact ND1-N 3.39Å; H1105-R1107 PolarHBondContact O-N 3.45Å; R1107-A1111 WeakPolarHBondContact O-CB 3.36Å; R1107-A1111 PolarHBondContact O-N 3.46Å |
| 1108 | F | 89.8 | Confident | 84.9 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 0% | 0.004 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -74.6 | -38.9 | 176.9 | -62.5 | -18.3 | 0 | 0 | 0 | 110.3 | I963 V966 Y967 I1061 L1065 L1102 H1105 W1106 A1111 L1112 | I963-F1108 HydrophobicContact CG1-CE2 4.42Å; I963-F1108 HydrophobicContact CG2-CE2 4.23Å; I963-F1108 HydrophobicContact CG2-CZ 4.03Å; V966-F1108 HydrophobicContact CB-CE1 4.34Å; V966-F1108 HydrophobicContact CB-CE2 4.17Å; V966-F1108 HydrophobicContact CB-CZ 3.7Å; V966-F1108 HydrophobicContact CG1-CD1 4.36Å; V966-F1108 HydrophobicContact CG1-CE1 3.65Å; V966-F1108 HydrophobicContact CG1-CE2 4.03Å; V966-F1108 HydrophobicContact CG1-CZ 3.48Å; V966-F1108 VanDerWaalsContact CG1-CZ 3.48Å; Y967-F1108 HydrophobicContact CD1-CE1 4.48Å; Y967-F1108 HydrophobicContact CD2-CE1 4.34Å; Y967-F1108 HydrophobicContact CD2-CZ 4.13Å; Y967-F1108 HydrophobicContact CE1-CE1 4.11Å; Y967-F1108 AromaticContact CE2-CE1 3.96Å; Y967-F1108 HydrophobicContact CE2-CE1 3.96Å; Y967-F1108 AromaticContact CE2-CZ 3.89Å; Y967-F1108 HydrophobicContact CE2-CZ 3.89Å; Y967-F1108 AromaticContact CZ-CE1 3.82Å; I1061-F1108 HydrophobicContact CG2-CD1 3.68Å; I1061-F1108 HydrophobicContact CG2-CE1 4.19Å; L1065-F1108 HydrophobicContact CD1-CB 3.84Å; L1065-F1108 HydrophobicContact CD1-CD1 4.36Å; L1065-F1108 HydrophobicContact CD1-CG 4.1Å; L1065-F1108 HydrophobicContact CD2-CB 4.33Å; L1065-F1108 HydrophobicContact CD2-CD2 3.92Å; L1065-F1108 HydrophobicContact CD2-CE2 4.42Å; L1065-F1108 HydrophobicContact CD2-CG 4.05Å; L1065-F1108 HydrophobicContact CG-CG 4.46Å; L1102-F1108 HydrophobicContact CD2-CD2 4.15Å; L1102-F1108 HydrophobicContact CD2-CE2 3.7Å; L1102-F1108 WeakPolarHBondContact O-CD2 3.5Å; H1105-F1108 HydrophobicContact CB-CB 4.29Å; H1105-F1108 HydrophobicContact CB-CD2 3.51Å; H1105-F1108 HydrophobicContact CB-CE2 3.99Å; H1105-F1108 HydrophobicContact CB-CG 4.02Å; H1105-F1108 AromaticContact CG-CD2 3.94Å; H1105-F1108 PolarHBondContact O-N 3.18Å; H1105-F1108 VanDerWaalsContact O-N 3.14Å; W1106-F1108 VanDerWaalsContact C-N 3.28Å; W1106-F1108 PolarHBondContact O-N 3.22Å; F1108-A1111 PolarHBondContact O-N 3Å; F1108-L1112 WeakPolarHBondContact O-CG 3.49Å; F1108-L1112 PolarHBondContact O-N 3.4Å |
| 1109 | R | 88.1 | Confident | 84.2 | Confident | 26 Ų | 26 | 35.5 Ų | 35.5 | 10% | 0.098 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61 | -47 | 170.4 | -68.7 | -179.1 | 176.8 | 154.3 | -4.9 | 112 | M1103 H1105 W1106 L1112 I1113 S1159 F1163 | M1103-R1109 PolarHBondContact O-NE 3.32Å; M1103-R1109 PolarHBondContact O-NH2 2.91Å; M1103-R1109 VanDerWaalsContact O-NH2 3.12Å; H1105-R1109 PolarHBondContact O-N 3.19Å; H1105-R1109 VanDerWaalsContact O-N 3.09Å; W1106-R1109 WeakPolarHBondContact O-CB 3.48Å; W1106-R1109 PolarHBondContact O-N 3.4Å; R1109-L1112 PolarHBondContact O-N 3.27Å; R1109-I1113 HydrophobicContact CB-CD1 4.49Å; R1109-I1113 VanDerWaalsContact O-CD1 3.28Å; R1109-I1113 WeakPolarHBondContact O-CD1 3.34Å; R1109-I1113 WeakPolarHBondContact O-CG1 3.4Å; R1109-I1113 PolarHBondContact O-N 3.24Å; R1109-S1159 PolarHBondContact NH2-OG 3.48Å; R1109-S1159 VanDerWaalsContact NH2-OG 3.16Å; R1109-F1163 HydrophobicContact CB-CZ 4.26Å; R1109-F1163 HydrophobicContact CG-CZ 4.17Å |
| 1110 | Q | 86.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.7 | -47.2 | 176.5 | 177.8 | 179.2 | 27.6 | 0 | 0 | 111.4 | I1045 S1047 S1050 M1051 W1106 L1112 I1113 L1114 | I1045-Q1110 HydrophobicContact CG2-CB 4.29Å; I1045-Q1110 VanDerWaalsContact O-CG 3.26Å; I1045-Q1110 WeakPolarHBondContact O-CG 3.48Å; S1047-Q1110 PolarHBondContact O-NE2 3.39Å; S1050-Q1110 PolarHBondContact OG-NE2 3.26Å; M1051-Q1110 HydrophobicContact CE-CB 4.07Å; M1051-Q1110 HydrophobicContact CE-CG 3.69Å; W1106-Q1110 WeakPolarHBondContact O-CB 3.32Å; W1106-Q1110 PolarHBondContact O-N 2.86Å; Q1110-L1112 VanDerWaalsContact C-N 3.32Å; Q1110-L1112 PolarHBondContact O-N 2.74Å; Q1110-I1113 PolarHBondContact O-N 3.41Å; Q1110-L1114 HydrophobicContact CG-CD1 3.63Å; Q1110-L1114 HydrophobicContact CG-CG 4.24Å; Q1110-L1114 WeakPolarHBondContact O-CB 3.32Å; Q1110-L1114 VanDerWaalsContact O-CG 3.23Å; Q1110-L1114 WeakPolarHBondContact O-CG 3.46Å; Q1110-L1114 PolarHBondContact O-N 2.51Å |
| 1111 | A | 84.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.7 | -43.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1051 I1061 C1062 R1107 F1108 N1115 | M1051-A1111 HydrophobicContact CE-CB 3.7Å; I1061-A1111 HydrophobicContact CB-CB 3.92Å; I1061-A1111 HydrophobicContact CD1-CB 4.44Å; I1061-A1111 HydrophobicContact CG2-CB 3.53Å; C1062-A1111 PolarHBondContact SG-O 2.91Å; R1107-A1111 WeakPolarHBondContact O-CB 3.36Å; R1107-A1111 PolarHBondContact O-N 3.46Å; F1108-A1111 PolarHBondContact O-N 3Å; A1111-N1115 PolarHBondContact O-N 3.12Å; A1111-N1115 PolarHBondContact O-ND2 3.41Å |
| 1112 | L | 86.6 | Confident | 82.6 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.7 | -50.4 | 175.8 | -70.2 | 169.5 | 0 | 0 | 0 | 110.8 | L1065 M1103 F1108 R1109 Q1110 L1114 N1115 I1116 V1127 L1130 L1131 F1163 | L1065-L1112 HydrophobicContact CD1-CG 4.4Å; M1103-L1112 HydrophobicContact CE-CD1 3.94Å; M1103-L1112 HydrophobicContact SD-CD1 4.15Å; F1108-L1112 WeakPolarHBondContact O-CG 3.49Å; F1108-L1112 PolarHBondContact O-N 3.4Å; R1109-L1112 PolarHBondContact O-N 3.27Å; Q1110-L1112 VanDerWaalsContact C-N 3.32Å; Q1110-L1112 PolarHBondContact O-N 2.74Å; L1112-L1114 PolarHBondContact O-N 2.87Å; L1112-N1115 PolarHBondContact O-N 3.14Å; L1112-N1115 VanDerWaalsContact O-N 3.11Å; L1112-I1116 WeakPolarHBondContact O-CG1 3.45Å; L1112-I1116 PolarHBondContact O-N 3.18Å; L1112-I1116 VanDerWaalsContact O-N 3.16Å; L1112-V1127 HydrophobicContact CB-CG1 4.37Å; L1112-V1127 HydrophobicContact CD2-CG1 3.94Å; L1112-V1127 HydrophobicContact CD2-CG2 4.16Å; L1112-L1130 HydrophobicContact CD2-CD1 4.45Å; L1112-L1131 HydrophobicContact CD1-CD2 4.45Å; L1112-F1163 HydrophobicContact CB-CE1 3.62Å; L1112-F1163 HydrophobicContact CB-CZ 4.09Å; L1112-F1163 HydrophobicContact CD1-CE1 4.28Å; L1112-F1163 HydrophobicContact CD1-CZ 3.94Å |
| 1113 | I | 83.9 | Confident | 82.1 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 5% | 0.046 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.8 | -45.5 | -178 | -68.5 | 155.8 | 0 | 0 | 0 | 112.1 | I1045 M1046 R1109 Q1110 N1115 I1116 L1162 F1163 E1166 | I1045-I1113 HydrophobicContact CG2-CD1 3.29Å; M1046-I1113 HydrophobicContact CE-CG2 4.26Å; M1046-I1113 HydrophobicContact SD-CG2 3.63Å; R1109-I1113 HydrophobicContact CB-CD1 4.49Å; R1109-I1113 VanDerWaalsContact O-CD1 3.28Å; R1109-I1113 WeakPolarHBondContact O-CD1 3.34Å; R1109-I1113 WeakPolarHBondContact O-CG1 3.4Å; R1109-I1113 PolarHBondContact O-N 3.24Å; Q1110-I1113 PolarHBondContact O-N 3.41Å; I1113-N1115 PolarHBondContact O-N 2.98Å; I1113-I1116 PolarHBondContact O-N 2.81Å; I1113-L1162 HydrophobicContact CD1-CD2 3.19Å; I1113-L1162 HydrophobicContact CG1-CD2 4.25Å; I1113-F1163 HydrophobicContact CD1-CE1 4.27Å; I1113-F1163 HydrophobicContact CG1-CD1 3.76Å; I1113-F1163 HydrophobicContact CG1-CE1 3.58Å; I1113-E1166 HydrophobicContact CG2-CG 4.27Å |
| 1114 | L | 81.4 | Confident | 81.9 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.5 | -17.5 | -178 | -66.6 | 171 | 0 | 0 | 0 | 113.2 | T1048 M1051 R1053 Q1110 L1112 | T1048-L1114 HydrophobicContact CG2-CD2 4.27Å; M1051-L1114 HydrophobicContact CB-CD1 4.05Å; M1051-L1114 HydrophobicContact CE-CD1 4.31Å; M1051-L1114 HydrophobicContact CG-CD1 4.12Å; M1051-L1114 WeakPolarHBondContact O-CD1 3.41Å; R1053-L1114 HydrophobicContact CG-CB 4.29Å; R1053-L1114 HydrophobicContact CG-CD2 3.47Å; R1053-L1114 VanDerWaalsContact CG-CD2 3.47Å; R1053-L1114 HydrophobicContact CG-CG 4.44Å; Q1110-L1114 HydrophobicContact CG-CD1 3.63Å; Q1110-L1114 HydrophobicContact CG-CG 4.24Å; Q1110-L1114 WeakPolarHBondContact O-CB 3.32Å; Q1110-L1114 VanDerWaalsContact O-CG 3.23Å; Q1110-L1114 WeakPolarHBondContact O-CG 3.46Å; Q1110-L1114 PolarHBondContact O-N 2.51Å; L1112-L1114 PolarHBondContact O-N 2.87Å |
| 1115 | N | 81.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -106.6 | -9 | -178.2 | -75.7 | -59 | 0 | 0 | 0 | 115.1 | S1058 A1111 L1112 I1113 N1117 S1118 I1123 V1127 | S1058-N1115 VanDerWaalsContact C-ND2 3.28Å; S1058-N1115 VanDerWaalsContact CB-ND2 3.25Å; S1058-N1115 WeakPolarHBondContact CB-ND2 3.23Å; S1058-N1115 PolarHBondContact O-ND2 3.11Å; S1058-N1115 PolarHBondContact OG-ND2 3.03Å; S1058-N1115 PolarHBondContact OG-OD1 3.21Å; A1111-N1115 PolarHBondContact O-N 3.12Å; A1111-N1115 PolarHBondContact O-ND2 3.41Å; L1112-N1115 PolarHBondContact O-N 3.14Å; L1112-N1115 VanDerWaalsContact O-N 3.11Å; I1113-N1115 PolarHBondContact O-N 2.98Å; N1115-N1117 VanDerWaalsContact C-N 3.32Å; N1115-N1117 PolarHBondContact O-N 3.27Å; N1115-S1118 WeakPolarHBondContact O-CB 3.48Å; N1115-S1118 PolarHBondContact O-N 3.43Å; N1115-S1118 PolarHBondContact O-OG 2.99Å; N1115-I1123 HydrophobicContact CB-CG2 3.99Å; N1115-V1127 HydrophobicContact CB-CG2 3.93Å |
| 1116 | I | 79.9 | Confident | 81.8 | Confident | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.051 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -55.5 | -47.7 | 176.4 | -71.8 | 166.9 | 0 | 0 | 0 | 110.9 | L1112 I1113 S1124 V1127 L1131 F1163 E1166 | L1112-I1116 WeakPolarHBondContact O-CG1 3.45Å; L1112-I1116 PolarHBondContact O-N 3.18Å; L1112-I1116 VanDerWaalsContact O-N 3.16Å; I1113-I1116 PolarHBondContact O-N 2.81Å; I1116-S1124 WeakPolarHBondContact O-CB 3.28Å; I1116-S1124 PolarHBondContact O-OG 3.35Å; I1116-V1127 HydrophobicContact CG1-CG1 3.58Å; I1116-L1131 HydrophobicContact CD1-CD1 3.97Å; I1116-L1131 HydrophobicContact CG1-CD1 4.21Å; I1116-F1163 HydrophobicContact CD1-CD1 3.88Å; I1116-E1166 HydrophobicContact CD1-CB 4.04Å; I1116-E1166 HydrophobicContact CD1-CG 4.47Å; I1116-E1166 HydrophobicContact CG2-CB 4.42Å |
| 1117 | N | 73.9 | Confident | 82 | Confident | 117 Ų | 117 | 44.1 Ų | 44.1 | 63% | 0.626 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | 34.2 | -179.8 | -63 | -34.5 | 0 | 0 | 0 | 111.7 | N1115 | N1115-N1117 VanDerWaalsContact C-N 3.32Å; N1115-N1117 PolarHBondContact O-N 3.27Å |
| 1118 | S | 75.1 | Confident | 82 | Confident | 21 Ų | 21 | 43.8 Ų | 43.8 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | trans | -71.5 | 153.9 | 177.7 | 59.3 | 0 | 0 | 0 | 0 | 111.9 | N1115 S1120 | N1115-S1118 WeakPolarHBondContact O-CB 3.48Å; N1115-S1118 PolarHBondContact O-N 3.43Å; N1115-S1118 PolarHBondContact O-OG 2.99Å; S1118-S1120 PolarHBondContact O-N 3.43Å; S1118-S1120 PolarHBondContact OG-O 3.13Å | ||
| 1119 | E | 73.1 | Confident | 81.8 | Confident | 206 Ų | 206 | 46.6 Ų | 46.6 | 96% | 0.963 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -62.8 | -26 | 175.9 | -64.5 | 175 | -179.5 | 0 | 0 | 112.5 | C1121 | E1119-C1121 PolarHBondContact O-N 3.07Š|
| 1120 | S | 75.2 | Confident | 81.8 | Confident | 44 Ų | 44 | 45.5 Ų | 45.5 | 31% | 0.308 | 25% | 0.253 | S | S | . | . | trans | -78.7 | 105.5 | 176.4 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | S1118 L1122 I1123 S1124 | S1118-S1120 PolarHBondContact O-N 3.43Å; S1118-S1120 PolarHBondContact OG-O 3.13Å; S1120-L1122 PolarHBondContact O-N 3.34Å; S1120-I1123 PolarHBondContact O-N 3.44Å; S1120-I1123 VanDerWaalsContact O-N 3.14Å; S1120-S1124 PolarHBondContact O-N 3.11Å | ||
| 1121 | C | 75.8 | Confident | 82 | Confident | 97 Ų | 97 | 45.6 Ų | 45.6 | 66% | 0.655 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -52 | -41.6 | 177.4 | -173.2 | 0 | 0 | 0 | 0 | 112.4 | E1119 I1123 Q1125 | E1119-C1121 PolarHBondContact O-N 3.07Å; C1121-I1123 PolarHBondContact O-N 3.14Å; C1121-Q1125 VanDerWaalsContact O-CB 3.27Å; C1121-Q1125 WeakPolarHBondContact O-CB 3.44Å; C1121-Q1125 PolarHBondContact O-N 3.09Å |
| 1122 | L | 79.9 | Confident | 82.1 | Confident | 135 Ų | 135 | 48.7 Ų | 48.7 | 71% | 0.707 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.5 | -39.9 | -179 | -65 | 177.9 | 0 | 0 | 0 | 113 | S1120 L1126 | S1120-L1122 PolarHBondContact O-N 3.34Å; L1122-L1126 WeakPolarHBondContact O-CB 3.48Å; L1122-L1126 PolarHBondContact O-N 3.26Å |
| 1123 | I | 81 | Confident | 82.2 | Confident | 11 Ų | 11 | 51 Ų | 51 | 6% | 0.056 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -79.6 | -41 | -175.5 | -60.8 | 173.5 | 0 | 0 | 0 | 110.1 | Q1059 N1115 S1120 C1121 Q1125 L1126 V1127 | Q1059-I1123 HydrophobicContact CB-CD1 3.83Å; Q1059-I1123 HydrophobicContact CG-CD1 3.46Å; Q1059-I1123 VanDerWaalsContact CG-CD1 3.46Å; Q1059-I1123 HydrophobicContact CG-CG2 4.42Å; Q1059-I1123 VanDerWaalsContact NE2-CD1 3.31Å; N1115-I1123 HydrophobicContact CB-CG2 3.99Å; S1120-I1123 PolarHBondContact O-N 3.44Å; S1120-I1123 VanDerWaalsContact O-N 3.14Å; C1121-I1123 PolarHBondContact O-N 3.14Å; I1123-Q1125 VanDerWaalsContact C-N 3.28Å; I1123-Q1125 PolarHBondContact O-N 3.44Å; I1123-L1126 PolarHBondContact O-N 3.14Å; I1123-V1127 WeakPolarHBondContact O-CG2 3.18Å; I1123-V1127 PolarHBondContact O-N 3.28Å |
| 1124 | S | 82.8 | Confident | 82.5 | Confident | 36 Ų | 36 | 50.7 Ų | 50.7 | 25% | 0.252 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.2 | -45.3 | 170.2 | 176.8 | 0 | 0 | 0 | 0 | 111 | I1116 S1120 L1126 V1127 S1128 | I1116-S1124 WeakPolarHBondContact O-CB 3.28Å; I1116-S1124 PolarHBondContact O-OG 3.35Å; S1120-S1124 PolarHBondContact O-N 3.11Å; S1124-L1126 PolarHBondContact O-N 3.01Å; S1124-V1127 PolarHBondContact O-N 2.92Å; S1124-S1128 WeakPolarHBondContact O-CB 3.26Å; S1124-S1128 PolarHBondContact O-N 3.16Å |
| 1125 | Q | 85.4 | Confident | 82.9 | Confident | 118 Ų | 118 | 51.2 Ų | 51.2 | 55% | 0.551 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.3 | -42.5 | 175.6 | -170.8 | 175.6 | -0.6 | 0 | 0 | 112.1 | C1121 I1123 S1128 T1129 | C1121-Q1125 VanDerWaalsContact O-CB 3.27Å; C1121-Q1125 WeakPolarHBondContact O-CB 3.44Å; C1121-Q1125 PolarHBondContact O-N 3.09Å; I1123-Q1125 VanDerWaalsContact C-N 3.28Å; I1123-Q1125 PolarHBondContact O-N 3.44Å; Q1125-S1128 PolarHBondContact O-N 3.33Å; Q1125-T1129 HydrophobicContact CG-CG2 4.41Å; Q1125-T1129 WeakPolarHBondContact O-CG2 3.44Å; Q1125-T1129 PolarHBondContact O-N 2.83Å; Q1125-T1129 PolarHBondContact O-OG1 2.88Å |
| 1126 | L | 85.9 | Confident | 83.3 | Confident | 22 Ų | 22 | 54.6 Ų | 54.6 | 12% | 0.115 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 176 | 177.3 | 148.5 | 0 | 0 | 0 | 112.8 | C1062 N1066 L1122 I1123 S1124 T1129 L1130 | C1062-L1126 HydrophobicContact CB-CD2 4.12Å; N1066-L1126 HydrophobicContact CB-CD1 4.36Å; N1066-L1126 HydrophobicContact CB-CD2 4.42Å; N1066-L1126 WeakPolarHBondContact ND2-CD1 3.41Å; L1122-L1126 WeakPolarHBondContact O-CB 3.48Å; L1122-L1126 PolarHBondContact O-N 3.26Å; I1123-L1126 PolarHBondContact O-N 3.14Å; S1124-L1126 PolarHBondContact O-N 3.01Å; L1126-T1129 WeakPolarHBondContact CA-OG1 3.31Å; L1126-T1129 PolarHBondContact O-OG1 3.06Å; L1126-L1130 HydrophobicContact CD2-CD1 3.72Å; L1126-L1130 HydrophobicContact CD2-CG 4.43Å; L1126-L1130 HydrophobicContact CG-CD1 4.5Å; L1126-L1130 WeakPolarHBondContact O-CB 3.08Å; L1126-L1130 VanDerWaalsContact O-CG 3.27Å; L1126-L1130 WeakPolarHBondContact O-CG 3.47Å; L1126-L1130 PolarHBondContact O-N 3.11Å |
| 1127 | V | 86.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.8 | -40.8 | 177.9 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | C1062 L1112 N1115 I1116 I1123 S1124 L1130 L1131 | C1062-V1127 HydrophobicContact CB-CG2 4.24Å; L1112-V1127 HydrophobicContact CB-CG1 4.37Å; L1112-V1127 HydrophobicContact CD2-CG1 3.94Å; L1112-V1127 HydrophobicContact CD2-CG2 4.16Å; N1115-V1127 HydrophobicContact CB-CG2 3.93Å; I1116-V1127 HydrophobicContact CG1-CG1 3.58Å; I1123-V1127 WeakPolarHBondContact O-CG2 3.18Å; I1123-V1127 PolarHBondContact O-N 3.28Å; S1124-V1127 PolarHBondContact O-N 2.92Å; V1127-L1130 PolarHBondContact O-N 3.02Å; V1127-L1131 HydrophobicContact CG1-CD1 3.89Å; V1127-L1131 HydrophobicContact CG1-CG 4.41Å; V1127-L1131 WeakPolarHBondContact O-CB 3.44Å; V1127-L1131 VanDerWaalsContact O-CG 3.28Å; V1127-L1131 WeakPolarHBondContact O-CG 3.48Å; V1127-L1131 PolarHBondContact O-N 3.48Å |
| 1128 | S | 85.7 | Confident | 84.5 | Confident | 57 Ų | 57 | 48.6 Ų | 48.6 | 40% | 0.399 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 174.4 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | S1124 Q1125 L1131 S1132 | S1124-S1128 WeakPolarHBondContact O-CB 3.26Å; S1124-S1128 PolarHBondContact O-N 3.16Å; Q1125-S1128 PolarHBondContact O-N 3.33Å; S1128-L1131 PolarHBondContact O-N 3.36Å; S1128-S1132 WeakPolarHBondContact O-CB 3.4Å; S1128-S1132 PolarHBondContact O-N 3.06Å; S1128-S1132 PolarHBondContact O-OG 2.99Å |
| 1129 | T | 86.7 | Confident | 85.2 | Confident | 59 Ų | 59 | 49.5 Ų | 49.5 | 36% | 0.362 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 178.8 | 59 | 0 | 0 | 0 | 0 | 111.2 | Q1125 L1126 L1131 S1132 E1133 | Q1125-T1129 HydrophobicContact CG-CG2 4.41Å; Q1125-T1129 WeakPolarHBondContact O-CG2 3.44Å; Q1125-T1129 PolarHBondContact O-N 2.83Å; Q1125-T1129 PolarHBondContact O-OG1 2.88Å; L1126-T1129 WeakPolarHBondContact CA-OG1 3.31Å; L1126-T1129 PolarHBondContact O-OG1 3.06Å; T1129-L1131 PolarHBondContact O-N 2.91Å; T1129-S1132 WeakPolarHBondContact CA-OG 3.37Å; T1129-S1132 PolarHBondContact O-N 3.44Å; T1129-S1132 PolarHBondContact O-OG 2.93Å; T1129-E1133 WeakPolarHBondContact O-CG 3.34Å; T1129-E1133 PolarHBondContact O-N 3.48Å |
| 1130 | L | 87.7 | Confident | 85.9 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56 | -47.4 | 175.4 | -77.6 | 177.6 | 0 | 0 | 0 | 112.8 | N1066 L1069 W1073 L1112 L1126 V1127 S1132 E1133 V1134 | N1066-L1130 HydrophobicContact CB-CD1 4.04Å; N1066-L1130 HydrophobicContact CB-CD2 4.14Å; N1066-L1130 HydrophobicContact CB-CG 4.46Å; N1066-L1130 WeakPolarHBondContact OD1-CD2 3.43Å; L1069-L1130 HydrophobicContact CD1-CD2 4.3Å; W1073-L1130 HydrophobicContact CZ2-CD2 4.23Å; L1112-L1130 HydrophobicContact CD2-CD1 4.45Å; L1126-L1130 HydrophobicContact CD2-CD1 3.72Å; L1126-L1130 HydrophobicContact CD2-CG 4.43Å; L1126-L1130 HydrophobicContact CG-CD1 4.5Å; L1126-L1130 WeakPolarHBondContact O-CB 3.08Å; L1126-L1130 VanDerWaalsContact O-CG 3.27Å; L1126-L1130 WeakPolarHBondContact O-CG 3.47Å; L1126-L1130 PolarHBondContact O-N 3.11Å; V1127-L1130 PolarHBondContact O-N 3.02Å; L1130-S1132 VanDerWaalsContact C-N 3.35Å; L1130-E1133 PolarHBondContact O-N 3.21Å; L1130-V1134 VanDerWaalsContact O-CG2 3.24Å; L1130-V1134 WeakPolarHBondContact O-CG2 3.49Å; L1130-V1134 PolarHBondContact O-N 3.41Å |
| 1131 | L | 89.3 | Confident | 86.4 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.4 | -37.3 | 180 | -71.7 | 174 | 0 | 0 | 0 | 111.7 | M1103 L1112 I1116 V1127 S1128 T1129 V1134 N1135 L1160 F1163 I1169 | M1103-L1131 HydrophobicContact CE-CD2 4.06Å; L1112-L1131 HydrophobicContact CD1-CD2 4.45Å; I1116-L1131 HydrophobicContact CD1-CD1 3.97Å; I1116-L1131 HydrophobicContact CG1-CD1 4.21Å; V1127-L1131 HydrophobicContact CG1-CD1 3.89Å; V1127-L1131 HydrophobicContact CG1-CG 4.41Å; V1127-L1131 WeakPolarHBondContact O-CB 3.44Å; V1127-L1131 VanDerWaalsContact O-CG 3.28Å; V1127-L1131 WeakPolarHBondContact O-CG 3.48Å; V1127-L1131 PolarHBondContact O-N 3.48Å; S1128-L1131 PolarHBondContact O-N 3.36Å; T1129-L1131 PolarHBondContact O-N 2.91Å; L1131-V1134 PolarHBondContact O-N 2.84Å; L1131-N1135 WeakPolarHBondContact O-CB 3.39Å; L1131-N1135 PolarHBondContact O-N 3.34Å; L1131-L1160 HydrophobicContact CD2-CD2 4.19Å; L1131-F1163 HydrophobicContact CD1-CB 4.39Å; L1131-F1163 HydrophobicContact CD1-CD1 4.06Å; L1131-F1163 HydrophobicContact CD1-CG 4.26Å; L1131-F1163 HydrophobicContact CD2-CD1 4.23Å; L1131-F1163 HydrophobicContact CD2-CD2 4.02Å; L1131-F1163 HydrophobicContact CD2-CE1 4.28Å; L1131-F1163 HydrophobicContact CD2-CE2 4.12Å; L1131-F1163 HydrophobicContact CD2-CG 4.07Å; L1131-F1163 HydrophobicContact CD2-CZ 4.23Å; L1131-I1169 HydrophobicContact CB-CD1 4.21Å; L1131-I1169 HydrophobicContact CB-CG1 4.32Å; L1131-I1169 HydrophobicContact CD2-CD1 4.46Å |
| 1132 | S | 87.8 | Confident | 87 | Confident | 66 Ų | 66 | 34.3 Ų | 34.3 | 46% | 0.462 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.2 | -41.1 | 175 | 77.1 | 0 | 0 | 0 | 0 | 112.1 | S1128 T1129 L1130 N1135 L1136 | S1128-S1132 WeakPolarHBondContact O-CB 3.4Å; S1128-S1132 PolarHBondContact O-N 3.06Å; S1128-S1132 PolarHBondContact O-OG 2.99Å; T1129-S1132 WeakPolarHBondContact CA-OG 3.37Å; T1129-S1132 PolarHBondContact O-N 3.44Å; T1129-S1132 PolarHBondContact O-OG 2.93Å; L1130-S1132 VanDerWaalsContact C-N 3.35Å; S1132-N1135 PolarHBondContact O-N 3.17Å; S1132-L1136 WeakPolarHBondContact O-CB 3.41Å; S1132-L1136 PolarHBondContact O-N 2.78Å |
| 1133 | E | 88.8 | Confident | 87.3 | Confident | 53 Ų | 53 | 33 Ų | 33 | 25% | 0.248 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.1 | -44.5 | 175.4 | -74.1 | 178.8 | 151.4 | 0 | 0 | 111.6 | W1073 T1129 L1130 N1135 L1136 I1137 | W1073-E1133 HydrophobicContact CZ2-CB 4.27Å; W1073-E1133 PolarHBondContact NE1-OE2 2.91Å; T1129-E1133 WeakPolarHBondContact O-CG 3.34Å; T1129-E1133 PolarHBondContact O-N 3.48Å; L1130-E1133 PolarHBondContact O-N 3.21Å; E1133-N1135 VanDerWaalsContact C-N 3.26Å; E1133-N1135 PolarHBondContact O-N 3.41Å; E1133-L1136 PolarHBondContact O-N 3.25Å; E1133-I1137 WeakPolarHBondContact O-CB 3.4Å; E1133-I1137 VanDerWaalsContact O-CG1 3.3Å; E1133-I1137 WeakPolarHBondContact O-CG1 3.25Å; E1133-I1137 PolarHBondContact O-N 3.5Å |
| 1134 | V | 89.8 | Confident | 87.4 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.5 | -38.4 | 175.4 | 177.2 | 0 | 0 | 0 | 0 | 111 | W1073 M1103 L1130 L1131 S1138 L1156 L1160 | W1073-V1134 HydrophobicContact CH2-CG2 3.64Å; W1073-V1134 HydrophobicContact CZ2-CG2 4.24Å; M1103-V1134 HydrophobicContact SD-CG2 4.49Å; L1130-V1134 VanDerWaalsContact O-CG2 3.24Å; L1130-V1134 WeakPolarHBondContact O-CG2 3.49Å; L1130-V1134 PolarHBondContact O-N 3.41Å; L1131-V1134 PolarHBondContact O-N 2.84Å; V1134-S1138 WeakPolarHBondContact O-CB 3.22Å; V1134-S1138 PolarHBondContact O-N 3.29Å; V1134-L1156 HydrophobicContact CG1-CD2 4.36Å; V1134-L1160 HydrophobicContact CB-CD2 4.29Å; V1134-L1160 HydrophobicContact CG1-CD1 4.19Å; V1134-L1160 HydrophobicContact CG1-CD2 3.81Å; V1134-L1160 HydrophobicContact CG1-CG 4.26Å |
| 1135 | N | 89.4 | Confident | 87.5 | Confident | 17 Ų | 17 | 36.4 Ų | 36.4 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.5 | -45.4 | 177 | -166.6 | 33.1 | 0 | 0 | 0 | 111.8 | L1131 S1132 E1133 I1137 S1138 Q1139 L1160 S1173 | L1131-N1135 WeakPolarHBondContact O-CB 3.39Å; L1131-N1135 PolarHBondContact O-N 3.34Å; S1132-N1135 PolarHBondContact O-N 3.17Å; E1133-N1135 VanDerWaalsContact C-N 3.26Å; E1133-N1135 PolarHBondContact O-N 3.41Å; N1135-I1137 PolarHBondContact O-N 3.39Å; N1135-S1138 WeakPolarHBondContact O-CB 3.34Å; N1135-S1138 PolarHBondContact O-N 3.34Å; N1135-S1138 VanDerWaalsContact O-N 3.14Å; N1135-Q1139 PolarHBondContact O-N 3.17Å; N1135-L1160 HydrophobicContact CB-CD1 3.97Å; N1135-S1173 WeakPolarHBondContact ND2-CB 3.24Å; N1135-S1173 PolarHBondContact ND2-OG 3.39Å |
| 1136 | L | 90.1 | Very high | 87.4 | Confident | 71 Ų | 71 | 34.7 Ų | 34.7 | 37% | 0.372 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.8 | -45.8 | 175.6 | -175.6 | 66.9 | 0 | 0 | 0 | 111.6 | P1078 S1132 E1133 S1138 Q1139 C1140 | P1078-L1136 HydrophobicContact CG-CD1 4.42Å; P1078-L1136 HydrophobicContact CG-CD2 3.55Å; P1078-L1136 HydrophobicContact CG-CG 3.8Å; S1132-L1136 WeakPolarHBondContact O-CB 3.41Å; S1132-L1136 PolarHBondContact O-N 2.78Å; E1133-L1136 PolarHBondContact O-N 3.25Å; L1136-S1138 VanDerWaalsContact C-N 3.33Å; L1136-S1138 PolarHBondContact O-N 3.11Å; L1136-Q1139 WeakPolarHBondContact O-CB 3.36Å; L1136-Q1139 PolarHBondContact O-N 3.2Å; L1136-C1140 PolarHBondContact O-N 2.81Å; L1136-C1140 PolarHBondContact O-SG 3.27Å; L1136-C1140 VanDerWaalsContact O-SG 3.36Å |
| 1137 | I | 88.5 | Confident | 87.3 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64 | -40.1 | 175.7 | -68.5 | 167 | 0 | 0 | 0 | 110.8 | W1073 L1076 E1133 N1135 Q1139 C1140 L1141 L1156 | W1073-I1137 HydrophobicContact CD2-CD1 3.96Å; W1073-I1137 HydrophobicContact CE3-CD1 3.24Å; W1073-I1137 HydrophobicContact CH2-CD1 4.21Å; W1073-I1137 HydrophobicContact CZ3-CD1 3.39Å; L1076-I1137 HydrophobicContact CB-CG2 4.31Å; L1076-I1137 HydrophobicContact CD1-CG2 4.26Å; E1133-I1137 WeakPolarHBondContact O-CB 3.4Å; E1133-I1137 VanDerWaalsContact O-CG1 3.3Å; E1133-I1137 WeakPolarHBondContact O-CG1 3.25Å; E1133-I1137 PolarHBondContact O-N 3.5Å; N1135-I1137 PolarHBondContact O-N 3.39Å; I1137-Q1139 VanDerWaalsContact C-N 3.33Å; I1137-Q1139 PolarHBondContact O-N 3.29Å; I1137-C1140 PolarHBondContact O-N 3.26Å; I1137-L1141 HydrophobicContact CG2-CD1 3.69Å; I1137-L1141 HydrophobicContact CG2-CG 3.99Å; I1137-L1141 VanDerWaalsContact O-CB 3.29Å; I1137-L1141 WeakPolarHBondContact O-CB 3.33Å; I1137-L1141 WeakPolarHBondContact O-CG 3.22Å; I1137-L1141 PolarHBondContact O-N 2.9Å; I1137-L1156 HydrophobicContact CG2-CD1 4.41Å |
| 1138 | S | 90.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.2 | -45.3 | 174.7 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | V1134 N1135 L1136 V1142 G1153 A1157 | V1134-S1138 WeakPolarHBondContact O-CB 3.22Å; V1134-S1138 PolarHBondContact O-N 3.29Å; N1135-S1138 WeakPolarHBondContact O-CB 3.34Å; N1135-S1138 PolarHBondContact O-N 3.34Å; N1135-S1138 VanDerWaalsContact O-N 3.14Å; L1136-S1138 VanDerWaalsContact C-N 3.33Å; L1136-S1138 PolarHBondContact O-N 3.11Å; S1138-V1142 WeakPolarHBondContact O-CB 3.49Å; S1138-V1142 VanDerWaalsContact O-CG2 3.23Å; S1138-V1142 WeakPolarHBondContact O-CG2 3.45Å; S1138-V1142 PolarHBondContact O-N 2.78Å; S1138-G1153 PolarHBondContact OG-O 3.02Å; S1138-A1157 PolarHBondContact OG-N 2.76Å |
| 1139 | Q | 89.4 | Confident | 87.3 | Confident | 40 Ų | 40 | 43.9 Ų | 43.9 | 19% | 0.187 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.9 | -52.4 | 174.6 | -71.8 | 178.2 | -6.5 | 0 | 0 | 111.9 | N1135 L1136 I1137 L1141 V1142 Q1143 S1173 T1177 | N1135-Q1139 PolarHBondContact O-N 3.17Å; L1136-Q1139 WeakPolarHBondContact O-CB 3.36Å; L1136-Q1139 PolarHBondContact O-N 3.2Å; I1137-Q1139 VanDerWaalsContact C-N 3.33Å; I1137-Q1139 PolarHBondContact O-N 3.29Å; Q1139-L1141 PolarHBondContact O-N 3.33Å; Q1139-V1142 PolarHBondContact O-N 3.18Å; Q1139-Q1143 WeakPolarHBondContact O-CG 3.32Å; Q1139-Q1143 PolarHBondContact O-N 2.72Å; Q1139-S1173 PolarHBondContact NE2-O 3.47Å; Q1139-T1177 HydrophobicContact CB-CG2 4.26Å; Q1139-T1177 HydrophobicContact CG-CG2 3.17Å |
| 1140 | C | 87.5 | Confident | 87.3 | Confident | 26 Ų | 26 | 41 Ų | 41 | 18% | 0.176 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.3 | -38.4 | -177.8 | -63.9 | 0 | 0 | 0 | 0 | 112.8 | P1077 L1136 I1137 V1142 Q1143 S1144 | P1077-C1140 HydrophobicContact CB-CB 3.95Å; L1136-C1140 PolarHBondContact O-N 2.81Å; L1136-C1140 PolarHBondContact O-SG 3.27Å; L1136-C1140 VanDerWaalsContact O-SG 3.36Å; I1137-C1140 PolarHBondContact O-N 3.26Å; C1140-V1142 VanDerWaalsContact C-N 3.29Å; C1140-V1142 PolarHBondContact O-N 3.29Å; C1140-Q1143 PolarHBondContact O-N 3.29Å; C1140-S1144 PolarHBondContact O-N 2.99Å |
| 1141 | L | 86.6 | Confident | 87.3 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.6 | -33.8 | 177.4 | -75.2 | 177.2 | 0 | 0 | 0 | 112.4 | L1076 A1096 I1137 Q1139 S1144 L1149 L1156 | L1076-L1141 HydrophobicContact CD2-CD2 4.01Å; A1096-L1141 HydrophobicContact CB-CD1 4.01Å; I1137-L1141 HydrophobicContact CG2-CD1 3.69Å; I1137-L1141 HydrophobicContact CG2-CG 3.99Å; I1137-L1141 VanDerWaalsContact O-CB 3.29Å; I1137-L1141 WeakPolarHBondContact O-CB 3.33Å; I1137-L1141 WeakPolarHBondContact O-CG 3.22Å; I1137-L1141 PolarHBondContact O-N 2.9Å; Q1139-L1141 PolarHBondContact O-N 3.33Å; L1141-S1144 WeakPolarHBondContact O-CB 3.16Å; L1141-S1144 PolarHBondContact O-N 3.17Å; L1141-S1144 PolarHBondContact O-OG 3.39Å; L1141-L1149 HydrophobicContact CD2-CB 4.2Å; L1141-L1149 HydrophobicContact CD2-CD2 4.12Å; L1141-L1156 HydrophobicContact CD1-CD1 4.03Å |
| 1142 | V | 87.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -74.9 | -26.9 | 179.5 | 170.1 | 0 | 0 | 0 | 0 | 112.5 | S1138 Q1139 C1140 S1144 I1150 L1154 T1177 I1181 H1182 | S1138-V1142 WeakPolarHBondContact O-CB 3.49Å; S1138-V1142 VanDerWaalsContact O-CG2 3.23Å; S1138-V1142 WeakPolarHBondContact O-CG2 3.45Å; S1138-V1142 PolarHBondContact O-N 2.78Å; Q1139-V1142 PolarHBondContact O-N 3.18Å; C1140-V1142 VanDerWaalsContact C-N 3.29Å; C1140-V1142 PolarHBondContact O-N 3.29Å; V1142-S1144 VanDerWaalsContact C-N 3.32Å; V1142-I1150 HydrophobicContact CG1-CG2 4.41Å; V1142-L1154 HydrophobicContact CG2-CD2 4.31Å; V1142-L1154 HydrophobicContact CG2-CG 4.33Å; V1142-T1177 VanDerWaalsContact CG1-O 3.26Å; V1142-T1177 WeakPolarHBondContact CG1-O 3.23Å; V1142-I1181 HydrophobicContact CG1-CB 3.92Å; V1142-I1181 HydrophobicContact CG1-CG1 3.36Å; V1142-I1181 HydrophobicContact CG1-CG2 4.42Å; V1142-H1182 PolarHBondContact O-N 2.9Å |
| 1143 | Q | 86 | Confident | 87.4 | Confident | 108 Ų | 108 | 45.7 Ų | 45.7 | 51% | 0.505 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -78.7 | -13.7 | 173.6 | -67.1 | 174.6 | -1.6 | 0 | 0 | 113.4 | Q1139 C1140 | Q1139-Q1143 WeakPolarHBondContact O-CG 3.32Å; Q1139-Q1143 PolarHBondContact O-N 2.72Å; C1140-Q1143 PolarHBondContact O-N 3.29Å |
| 1144 | S | 84.3 | Confident | 87.5 | Confident | 16 Ų | 16 | 43.2 Ų | 43.2 | 11% | 0.112 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -63.1 | 149.1 | 178.1 | 75.2 | 0 | 0 | 0 | 0 | 112.5 | C1140 L1141 V1142 Q1146 L1149 I1150 | C1140-S1144 PolarHBondContact O-N 2.99Å; L1141-S1144 WeakPolarHBondContact O-CB 3.16Å; L1141-S1144 PolarHBondContact O-N 3.17Å; L1141-S1144 PolarHBondContact O-OG 3.39Å; V1142-S1144 VanDerWaalsContact C-N 3.32Å; S1144-Q1146 PolarHBondContact O-N 2.89Å; S1144-Q1146 VanDerWaalsContact O-N 3.15Å; S1144-L1149 WeakPolarHBondContact OG-CB 3.45Å; S1144-I1150 WeakPolarHBondContact O-CD1 3.32Å; S1144-I1150 WeakPolarHBondContact O-CG1 3.41Å |
| 1145 | N | 82.8 | Confident | 87.5 | Confident | 102 Ų | 102 | 46.4 Ų | 46.4 | 55% | 0.545 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -74.1 | 0.4 | 176.5 | -167.5 | 20.5 | 0 | 0 | 0 | 113.3 | H1182 S1184 | N1145-H1182 PolarHBondContact OD1-CE1 3.5Å; N1145-S1184 PolarHBondContact OD1-OG 3.47Å; N1145-S1184 VanDerWaalsContact OD1-OG 3.08Å |
| 1146 | Q | 83.4 | Confident | 87.6 | Confident | 83 Ų | 83 | 45.6 Ų | 45.6 | 39% | 0.388 | 21% | 0.208 | S | C | . | . | trans | -106.8 | 109.2 | -168.4 | -67.2 | -70.8 | -25 | 0 | 0 | 111.6 | L1089 S1144 K1148 L1149 I1150 | L1089-Q1146 HydrophobicContact CD1-CB 4.09Å; L1089-Q1146 VanDerWaalsContact CD1-CD 3.44Å; L1089-Q1146 HydrophobicContact CD1-CG 3.45Å; L1089-Q1146 VanDerWaalsContact CD1-CG 3.45Å; S1144-Q1146 PolarHBondContact O-N 2.89Å; S1144-Q1146 VanDerWaalsContact O-N 3.15Å; Q1146-K1148 PolarHBondContact O-N 3.1Å; Q1146-L1149 HydrophobicContact CB-CB 4.32Å; Q1146-L1149 HydrophobicContact CB-CD1 4.08Å; Q1146-L1149 HydrophobicContact CB-CG 4.25Å; Q1146-L1149 PolarHBondContact O-N 3.14Å; Q1146-I1150 WeakPolarHBondContact O-CG1 3.25Å; Q1146-I1150 PolarHBondContact O-N 3.14Å; Q1146-I1150 VanDerWaalsContact O-N 3.09Å | ||
| 1147 | R | 85.3 | Confident | 87.6 | Confident | 141 Ų | 141 | 42.2 Ų | 42.2 | 53% | 0.532 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -48.2 | -38.4 | -177.1 | -175 | -179.5 | 177.2 | -171.1 | 0.8 | 114.7 | R1151 L1189 | R1147-R1151 PolarHBondContact O-N 3.45Å; R1147-L1189 HydrophobicContact CG-CD1 4.47Å; R1147-L1189 HydrophobicContact CG-CD2 4.44Å |
| 1148 | K | 85.2 | Confident | 87.7 | Confident | 127 Ų | 127 | 47 Ų | 47 | 55% | 0.552 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -65.7 | -42.2 | -179.7 | -71.5 | 178.3 | 178.9 | 176.1 | 0 | 111.8 | Q1093 Q1146 R1151 L1152 | Q1093-K1148 HydrophobicContact CG-CB 4.49Å; Q1146-K1148 PolarHBondContact O-N 3.1Å; K1148-R1151 PolarHBondContact O-N 2.94Å; K1148-L1152 WeakPolarHBondContact O-CG 3.44Å; K1148-L1152 PolarHBondContact O-N 3.28Å |
| 1149 | L | 85.7 | Confident | 87.5 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.3 | -43.1 | 177.3 | -69 | 178.4 | 0 | 0 | 0 | 110.7 | Q1092 Q1093 L1141 S1144 Q1146 R1151 L1152 G1153 | Q1092-L1149 HydrophobicContact CB-CD1 4.4Å; Q1092-L1149 HydrophobicContact CB-CD2 3.99Å; Q1093-L1149 HydrophobicContact CG-CD2 3.71Å; Q1093-L1149 HydrophobicContact CG-CG 4.36Å; L1141-L1149 HydrophobicContact CD2-CB 4.2Å; L1141-L1149 HydrophobicContact CD2-CD2 4.12Å; S1144-L1149 WeakPolarHBondContact OG-CB 3.45Å; Q1146-L1149 HydrophobicContact CB-CB 4.32Å; Q1146-L1149 HydrophobicContact CB-CD1 4.08Å; Q1146-L1149 HydrophobicContact CB-CG 4.25Å; Q1146-L1149 PolarHBondContact O-N 3.14Å; L1149-R1151 VanDerWaalsContact C-N 3.27Å; L1149-R1151 PolarHBondContact O-N 3.1Å; L1149-L1152 WeakPolarHBondContact O-CB 3.46Å; L1149-L1152 PolarHBondContact O-N 3.45Å; L1149-G1153 PolarHBondContact O-N 3.38Å |
| 1150 | I | 87.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.6 | -41.2 | 175.4 | -55.6 | 170.8 | 0 | 0 | 0 | 111.1 | V1142 S1144 Q1146 L1152 G1153 L1154 I1181 H1182 C1185 L1189 | V1142-I1150 HydrophobicContact CG1-CG2 4.41Å; S1144-I1150 WeakPolarHBondContact O-CD1 3.32Å; S1144-I1150 WeakPolarHBondContact O-CG1 3.41Å; Q1146-I1150 WeakPolarHBondContact O-CG1 3.25Å; Q1146-I1150 PolarHBondContact O-N 3.14Å; Q1146-I1150 VanDerWaalsContact O-N 3.09Å; I1150-L1152 VanDerWaalsContact C-N 3.3Å; I1150-L1152 PolarHBondContact O-N 2.97Å; I1150-G1153 PolarHBondContact O-N 3.4Å; I1150-L1154 HydrophobicContact CG2-CD1 4.24Å; I1150-L1154 HydrophobicContact CG2-CG 4.39Å; I1150-L1154 WeakPolarHBondContact O-CB 3.44Å; I1150-L1154 WeakPolarHBondContact O-CG 3.23Å; I1150-L1154 PolarHBondContact O-N 2.92Å; I1150-I1181 HydrophobicContact CG2-CG2 4.2Å; I1150-H1182 HydrophobicContact CD1-CB 4.42Å; I1150-C1185 HydrophobicContact CD1-CB 3.37Å; I1150-C1185 VanDerWaalsContact CD1-SG 3.51Å; I1150-L1189 HydrophobicContact CB-CD1 3.83Å; I1150-L1189 HydrophobicContact CG2-CD1 3.36Å |
| 1151 | R | 89 | Confident | 87.3 | Confident | 156 Ų | 156 | 44.5 Ų | 44.5 | 59% | 0.589 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -63.6 | -35.6 | 177.3 | -171.6 | 175 | -177.4 | 168.8 | 2.8 | 112.5 | R1147 K1148 L1149 Q1155 | R1147-R1151 PolarHBondContact O-N 3.45Å; K1148-R1151 PolarHBondContact O-N 2.94Å; L1149-R1151 VanDerWaalsContact C-N 3.27Å; L1149-R1151 PolarHBondContact O-N 3.1Å; R1151-Q1155 WeakPolarHBondContact O-CB 3.37Å; R1151-Q1155 PolarHBondContact O-N 2.92Å |
| 1152 | L | 88.7 | Confident | 87.1 | Confident | 13 Ų | 13 | 46 Ų | 46 | 7% | 0.068 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.1 | -42.2 | 175.2 | -64.4 | 170.5 | 0 | 0 | 0 | 110.8 | A1096 R1097 K1148 L1149 I1150 L1154 Q1155 L1156 | A1096-L1152 HydrophobicContact CB-CB 4.09Å; A1096-L1152 HydrophobicContact CB-CD1 3.69Å; A1096-L1152 HydrophobicContact CB-CG 4.48Å; R1097-L1152 HydrophobicContact CG-CD1 3.89Å; R1097-L1152 HydrophobicContact CG-CD2 3.59Å; R1097-L1152 HydrophobicContact CG-CG 4.42Å; K1148-L1152 WeakPolarHBondContact O-CG 3.44Å; K1148-L1152 PolarHBondContact O-N 3.28Å; L1149-L1152 WeakPolarHBondContact O-CB 3.46Å; L1149-L1152 PolarHBondContact O-N 3.45Å; I1150-L1152 VanDerWaalsContact C-N 3.3Å; I1150-L1152 PolarHBondContact O-N 2.97Å; L1152-L1154 VanDerWaalsContact C-N 3.34Å; L1152-L1154 PolarHBondContact O-N 2.58Å; L1152-Q1155 WeakPolarHBondContact O-CA 3.12Å; L1152-Q1155 WeakPolarHBondContact O-CB 3.31Å; L1152-Q1155 PolarHBondContact O-N 2.95Å; L1152-L1156 PolarHBondContact O-N 3.16Å |
| 1153 | G | 90.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.5 | -45.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1138 L1149 I1150 Q1155 L1156 A1157 | S1138-G1153 PolarHBondContact OG-O 3.02Å; L1149-G1153 PolarHBondContact O-N 3.38Å; I1150-G1153 PolarHBondContact O-N 3.4Å; G1153-Q1155 VanDerWaalsContact C-N 3.32Å; G1153-Q1155 PolarHBondContact O-N 3.47Å; G1153-L1156 WeakPolarHBondContact O-CB 3.34Å; G1153-L1156 PolarHBondContact O-N 3.44Å; G1153-A1157 PolarHBondContact O-N 2.85Å |
| 1154 | L | 90.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.3 | -32.1 | 173.9 | -70.6 | 175.1 | 0 | 0 | 0 | 113 | V1142 I1150 L1152 A1157 R1158 L1178 I1181 L1189 V1192 V1193 I1196 | V1142-L1154 HydrophobicContact CG2-CD2 4.31Å; V1142-L1154 HydrophobicContact CG2-CG 4.33Å; I1150-L1154 HydrophobicContact CG2-CD1 4.24Å; I1150-L1154 HydrophobicContact CG2-CG 4.39Å; I1150-L1154 WeakPolarHBondContact O-CB 3.44Å; I1150-L1154 WeakPolarHBondContact O-CG 3.23Å; I1150-L1154 PolarHBondContact O-N 2.92Å; L1152-L1154 VanDerWaalsContact C-N 3.34Å; L1152-L1154 PolarHBondContact O-N 2.58Å; L1154-A1157 PolarHBondContact O-N 3.31Å; L1154-R1158 WeakPolarHBondContact O-CB 3.4Å; L1154-R1158 PolarHBondContact O-N 2.82Å; L1154-L1178 HydrophobicContact CD2-CD2 3.57Å; L1154-I1181 HydrophobicContact CD2-CD1 4.23Å; L1154-L1189 HydrophobicContact CD1-CB 4.18Å; L1154-L1189 HydrophobicContact CD1-CD1 4.05Å; L1154-V1192 HydrophobicContact CB-CG1 4.27Å; L1154-V1192 HydrophobicContact CD1-CB 4.36Å; L1154-V1192 HydrophobicContact CD1-CG1 4.02Å; L1154-V1193 HydrophobicContact CD1-CG2 4.2Å; L1154-V1193 HydrophobicContact CD2-CG2 4.34Å; L1154-I1196 HydrophobicContact CB-CD1 3.91Å; L1154-I1196 HydrophobicContact CD2-CD1 4.16Å; L1154-I1196 VanDerWaalsContact O-CD1 3.27Å; L1154-I1196 WeakPolarHBondContact O-CD1 3.45Å |
| 1155 | Q | 89.2 | Confident | 86 | Confident | 70 Ų | 70 | 49.1 Ų | 49.1 | 33% | 0.327 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -71.6 | -35.8 | 175.1 | -177.3 | 176.9 | -15.1 | 0 | 0 | 111.9 | C1100 R1151 L1152 G1153 R1158 S1159 | C1100-Q1155 HydrophobicContact CB-CG 4.43Å; R1151-Q1155 WeakPolarHBondContact O-CB 3.37Å; R1151-Q1155 PolarHBondContact O-N 2.92Å; L1152-Q1155 WeakPolarHBondContact O-CA 3.12Å; L1152-Q1155 WeakPolarHBondContact O-CB 3.31Å; L1152-Q1155 PolarHBondContact O-N 2.95Å; G1153-Q1155 VanDerWaalsContact C-N 3.32Å; G1153-Q1155 PolarHBondContact O-N 3.47Å; Q1155-R1158 PolarHBondContact O-N 2.9Å; Q1155-S1159 PolarHBondContact O-N 2.87Å; Q1155-S1159 PolarHBondContact O-OG 2.95Å |
| 1156 | L | 91.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.6 | -49 | 169.1 | -66.9 | 176.6 | 0 | 0 | 0 | 110.2 | I1099 C1100 M1103 V1134 I1137 L1141 L1152 G1153 R1158 S1159 L1160 | I1099-L1156 HydrophobicContact CB-CD2 4.35Å; I1099-L1156 HydrophobicContact CG2-CD1 4.4Å; I1099-L1156 HydrophobicContact CG2-CD2 3.68Å; C1100-L1156 HydrophobicContact CB-CD2 4.38Å; M1103-L1156 HydrophobicContact CG-CD2 4.44Å; V1134-L1156 HydrophobicContact CG1-CD2 4.36Å; I1137-L1156 HydrophobicContact CG2-CD1 4.41Å; L1141-L1156 HydrophobicContact CD1-CD1 4.03Å; L1152-L1156 PolarHBondContact O-N 3.16Å; G1153-L1156 WeakPolarHBondContact O-CB 3.34Å; G1153-L1156 PolarHBondContact O-N 3.44Å; L1156-R1158 VanDerWaalsContact C-N 3.28Å; L1156-R1158 PolarHBondContact O-N 3.34Å; L1156-S1159 CarbonylContact O-C 3.57Å; L1156-S1159 WeakPolarHBondContact O-CA 3.44Å; L1156-S1159 WeakPolarHBondContact O-CB 3.24Å; L1156-S1159 PolarHBondContact O-N 2.92Å; L1156-L1160 WeakPolarHBondContact O-CG 3.4Å; L1156-L1160 PolarHBondContact O-N 3.04Å |
| 1157 | A | 90.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.4 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1138 G1153 L1154 S1159 L1160 I1161 V1174 | S1138-A1157 PolarHBondContact OG-N 2.76Å; G1153-A1157 PolarHBondContact O-N 2.85Å; L1154-A1157 PolarHBondContact O-N 3.31Å; A1157-S1159 VanDerWaalsContact C-N 3.31Å; A1157-S1159 PolarHBondContact O-N 3.34Å; A1157-L1160 PolarHBondContact O-N 2.91Å; A1157-I1161 WeakPolarHBondContact O-CG1 3.28Å; A1157-I1161 PolarHBondContact O-N 2.88Å; A1157-V1174 HydrophobicContact CB-CG1 4.41Å |
| 1158 | R | 90.4 | Very high | 83.8 | Confident | 102 Ų | 102 | 40.7 Ų | 40.7 | 39% | 0.385 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.6 | -39.1 | 173.3 | -178.2 | 175.1 | 164.3 | 166 | -5.7 | 112.7 | D1038 L1154 Q1155 L1156 L1160 I1161 I1196 K1199 | D1038-R1158 IonicContact OD2-CZ 3.52Å; D1038-R1158 IonicContact OD2-NE 3.37Å; D1038-R1158 IonicContact OD2-NH2 2.78Å; D1038-R1158 PolarHBondContact OD2-NH2 3.46Å; L1154-R1158 WeakPolarHBondContact O-CB 3.4Å; L1154-R1158 PolarHBondContact O-N 2.82Å; Q1155-R1158 PolarHBondContact O-N 2.9Å; L1156-R1158 VanDerWaalsContact C-N 3.28Å; L1156-R1158 PolarHBondContact O-N 3.34Å; R1158-L1160 VanDerWaalsContact C-N 3.34Å; R1158-I1161 HydrophobicContact CG-CD1 4.47Å; R1158-I1161 WeakPolarHBondContact O-CG1 3.49Å; R1158-I1196 HydrophobicContact CB-CD1 4.3Å; R1158-I1196 HydrophobicContact CB-CG1 4.07Å; R1158-K1199 HydrophobicContact CG-CD 4.39Å; R1158-K1199 VanDerWaalsContact NH2-CE 3.26Å |
| 1159 | S | 87.4 | Confident | 83.5 | Confident | 5 Ų | 5 | 35 Ų | 35 | 4% | 0.035 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.8 | -29 | 179 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | R1109 Q1155 L1156 A1157 | R1109-S1159 PolarHBondContact NH2-OG 3.48Å; R1109-S1159 VanDerWaalsContact NH2-OG 3.16Å; Q1155-S1159 PolarHBondContact O-N 2.87Å; Q1155-S1159 PolarHBondContact O-OG 2.95Å; L1156-S1159 CarbonylContact O-C 3.57Å; L1156-S1159 WeakPolarHBondContact O-CA 3.44Å; L1156-S1159 WeakPolarHBondContact O-CB 3.24Å; L1156-S1159 PolarHBondContact O-N 2.92Å; A1157-S1159 VanDerWaalsContact C-N 3.31Å; A1157-S1159 PolarHBondContact O-N 3.34Å |
| 1160 | L | 87.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -74.8 | -21.7 | 178.5 | -66.5 | 173.6 | 0 | 0 | 0 | 113.9 | M1103 L1131 V1134 N1135 L1156 A1157 R1158 L1162 F1163 I1169 | M1103-L1160 HydrophobicContact CE-CD2 4.42Å; L1131-L1160 HydrophobicContact CD2-CD2 4.19Å; V1134-L1160 HydrophobicContact CB-CD2 4.29Å; V1134-L1160 HydrophobicContact CG1-CD1 4.19Å; V1134-L1160 HydrophobicContact CG1-CD2 3.81Å; V1134-L1160 HydrophobicContact CG1-CG 4.26Å; N1135-L1160 HydrophobicContact CB-CD1 3.97Å; L1156-L1160 WeakPolarHBondContact O-CG 3.4Å; L1156-L1160 PolarHBondContact O-N 3.04Å; A1157-L1160 PolarHBondContact O-N 2.91Å; R1158-L1160 VanDerWaalsContact C-N 3.34Å; L1160-L1162 PolarHBondContact O-N 3.12Å; L1160-F1163 HydrophobicContact CD2-CD2 4.41Å; L1160-F1163 PolarHBondContact O-N 3.44Å; L1160-I1169 HydrophobicContact CB-CD1 4.02Å; L1160-I1169 HydrophobicContact CD1-CD1 4.43Å; L1160-I1169 HydrophobicContact CD2-CD1 3.57Å; L1160-I1169 HydrophobicContact CG-CD1 4.19Å |
| 1161 | I | 85.1 | Confident | 82.9 | Confident | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -50.5 | -35.9 | -179.9 | -58.8 | 176.1 | 0 | 0 | 0 | 112.1 | A1157 R1158 F1163 I1164 I1196 K1199 M1200 K1203 F1204 | A1157-I1161 WeakPolarHBondContact O-CG1 3.28Å; A1157-I1161 PolarHBondContact O-N 2.88Å; R1158-I1161 HydrophobicContact CG-CD1 4.47Å; R1158-I1161 WeakPolarHBondContact O-CG1 3.49Å; I1161-F1163 VanDerWaalsContact C-N 3.29Å; I1161-F1163 PolarHBondContact O-N 3.37Å; I1161-I1164 PolarHBondContact O-N 3.09Å; I1161-I1196 HydrophobicContact CD1-CG2 4.09Å; I1161-K1199 HydrophobicContact CD1-CB 4.08Å; I1161-M1200 HydrophobicContact CD1-CG 4.05Å; I1161-M1200 HydrophobicContact CG1-CE 4.38Å; I1161-M1200 HydrophobicContact CG1-CG 4.28Å; I1161-M1200 HydrophobicContact CG2-CG 4.35Å; I1161-K1203 HydrophobicContact CG2-CD 4.06Å; I1161-F1204 HydrophobicContact CG2-CE2 4.2Å |
| 1162 | L | 80.8 | Confident | 82.6 | Confident | 31 Ų | 31 | 34.6 Ų | 34.6 | 16% | 0.162 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -69.3 | -27.6 | -175.2 | -150.9 | 135.8 | 0 | 0 | 0 | 112.6 | N1042 I1045 I1113 L1160 | N1042-L1162 WeakPolarHBondContact OD1-CD1 3.46Å; I1045-L1162 HydrophobicContact CD1-CD1 4.18Å; I1045-L1162 HydrophobicContact CG2-CD2 4.15Å; I1113-L1162 HydrophobicContact CD1-CD2 3.19Å; I1113-L1162 HydrophobicContact CG1-CD2 4.25Å; L1160-L1162 PolarHBondContact O-N 3.12Å |
| 1163 | F | 82.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -88.4 | -10 | -178 | -57.2 | -80.9 | 0 | 0 | 0 | 114 | M1103 R1109 L1112 I1113 I1116 L1131 L1160 I1161 K1165 E1166 S1168 I1169 | M1103-F1163 HydrophobicContact CE-CE2 3.92Å; M1103-F1163 HydrophobicContact CE-CZ 4.22Å; R1109-F1163 HydrophobicContact CB-CZ 4.26Å; R1109-F1163 HydrophobicContact CG-CZ 4.17Å; L1112-F1163 HydrophobicContact CB-CE1 3.62Å; L1112-F1163 HydrophobicContact CB-CZ 4.09Å; L1112-F1163 HydrophobicContact CD1-CE1 4.28Å; L1112-F1163 HydrophobicContact CD1-CZ 3.94Å; I1113-F1163 HydrophobicContact CD1-CE1 4.27Å; I1113-F1163 HydrophobicContact CG1-CD1 3.76Å; I1113-F1163 HydrophobicContact CG1-CE1 3.58Å; I1116-F1163 HydrophobicContact CD1-CD1 3.88Å; L1131-F1163 HydrophobicContact CD1-CB 4.39Å; L1131-F1163 HydrophobicContact CD1-CD1 4.06Å; L1131-F1163 HydrophobicContact CD1-CG 4.26Å; L1131-F1163 HydrophobicContact CD2-CD1 4.23Å; L1131-F1163 HydrophobicContact CD2-CD2 4.02Å; L1131-F1163 HydrophobicContact CD2-CE1 4.28Å; L1131-F1163 HydrophobicContact CD2-CE2 4.12Å; L1131-F1163 HydrophobicContact CD2-CG 4.07Å; L1131-F1163 HydrophobicContact CD2-CZ 4.23Å; L1160-F1163 HydrophobicContact CD2-CD2 4.41Å; L1160-F1163 PolarHBondContact O-N 3.44Å; I1161-F1163 VanDerWaalsContact C-N 3.29Å; I1161-F1163 PolarHBondContact O-N 3.37Å; F1163-K1165 VanDerWaalsContact C-N 3.28Å; F1163-K1165 PolarHBondContact O-N 3.49Å; F1163-E1166 PolarHBondContact O-N 3.42Å; F1163-S1168 PolarHBondContact O-OG 3.4Å; F1163-I1169 HydrophobicContact CB-CD1 4.02Å |
| 1164 | I | 80.5 | Confident | 82 | Confident | 16 Ų | 16 | 34.6 Ų | 34.6 | 8% | 0.082 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -64.6 | -33.7 | 177.4 | -61.1 | 172 | 0 | 0 | 0 | 111.1 | I1161 E1166 G1167 L1171 V1174 M1200 F1204 | I1161-I1164 PolarHBondContact O-N 3.09Å; I1164-E1166 VanDerWaalsContact C-N 3.26Å; I1164-E1166 PolarHBondContact O-N 2.87Å; I1164-G1167 PolarHBondContact O-N 3.07Å; I1164-L1171 HydrophobicContact CD1-CD1 4.13Å; I1164-L1171 HydrophobicContact CG2-CB 4.01Å; I1164-L1171 HydrophobicContact CG2-CD1 4.39Å; I1164-V1174 HydrophobicContact CD1-CB 4.23Å; I1164-V1174 HydrophobicContact CD1-CG2 3.96Å; I1164-V1174 HydrophobicContact CG1-CG2 4.35Å; I1164-M1200 HydrophobicContact CD1-CE 3.61Å; I1164-F1204 HydrophobicContact CB-CE1 4.25Å; I1164-F1204 HydrophobicContact CB-CE2 4.36Å; I1164-F1204 HydrophobicContact CB-CZ 3.61Å; I1164-F1204 HydrophobicContact CD1-CE2 4.17Å; I1164-F1204 HydrophobicContact CD1-CZ 4.28Å; I1164-F1204 HydrophobicContact CG2-CE1 3.66Å; I1164-F1204 HydrophobicContact CG2-CE2 4.17Å; I1164-F1204 HydrophobicContact CG2-CZ 3.43Å; I1164-F1204 VanDerWaalsContact CG2-CZ 3.43Å |
| 1165 | K | 72.6 | Confident | 81.7 | Confident | 174 Ų | 174 | 34.6 Ų | 34.6 | 76% | 0.757 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -64.6 | -29.8 | -179.2 | -170.1 | -178.1 | 175.9 | -172.7 | 0 | 112.7 | F1163 | F1163-K1165 VanDerWaalsContact C-N 3.28Å; F1163-K1165 PolarHBondContact O-N 3.49Å |
| 1166 | E | 69.3 | Low | 81.6 | Confident | 48 Ų | 48 | 36.8 Ų | 36.8 | 22% | 0.224 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -89.2 | -1.3 | -175.7 | -59.6 | -63.1 | 142.4 | 0 | 0 | 113.4 | I1113 I1116 F1163 I1164 | I1113-E1166 HydrophobicContact CG2-CG 4.27Å; I1116-E1166 HydrophobicContact CD1-CB 4.04Å; I1116-E1166 HydrophobicContact CD1-CG 4.47Å; I1116-E1166 HydrophobicContact CG2-CB 4.42Å; F1163-E1166 PolarHBondContact O-N 3.42Å; I1164-E1166 VanDerWaalsContact C-N 3.26Å; I1164-E1166 PolarHBondContact O-N 2.87Å |
| 1167 | G | 67.7 | Low | 81.2 | Confident | 67 Ų | 67 | 36.8 Ų | 36.8 | 69% | 0.691 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | -5.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | I1164 | I1164-G1167 PolarHBondContact O-N 3.07Š|
| 1168 | S | 68.8 | Low | 80.9 | Confident | 34 Ų | 34 | 37 Ų | 37 | 24% | 0.238 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -70.9 | -30.3 | -179.6 | 59.3 | 0 | 0 | 0 | 0 | 114.7 | F1163 | F1163-S1168 PolarHBondContact O-OG 3.4Š|
| 1169 | I | 77.4 | Confident | 80.7 | Confident | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -126.2 | 126.9 | -177.4 | -55.8 | 174.3 | 0 | 0 | 0 | 109 | L1131 L1160 F1163 L1171 V1174 | L1131-I1169 HydrophobicContact CB-CD1 4.21Å; L1131-I1169 HydrophobicContact CB-CG1 4.32Å; L1131-I1169 HydrophobicContact CD2-CD1 4.46Å; L1160-I1169 HydrophobicContact CB-CD1 4.02Å; L1160-I1169 HydrophobicContact CD1-CD1 4.43Å; L1160-I1169 HydrophobicContact CD2-CD1 3.57Å; L1160-I1169 HydrophobicContact CG-CD1 4.19Å; F1163-I1169 HydrophobicContact CB-CD1 4.02Å; I1169-L1171 PolarHBondContact O-N 2.85Å; I1169-V1174 HydrophobicContact CG2-CG2 3.69Å |
| 1170 | S | 79.5 | Confident | 80.5 | Confident | 71 Ų | 71 | 35.9 Ų | 35.9 | 50% | 0.497 | 21% | 0.211 | S | C | . | . | trans | -69.1 | 133 | 177.3 | 71.1 | 0 | 0 | 0 | 0 | 111 | A1172 S1173 V1174 | S1170-A1172 PolarHBondContact O-N 2.98Å; S1170-S1173 PolarHBondContact O-N 3.36Å; S1170-S1173 PolarHBondContact O-OG 3.02Å; S1170-S1173 VanDerWaalsContact OG-CB 3.28Å; S1170-S1173 WeakPolarHBondContact OG-CB 3.48Å; S1170-S1173 PolarHBondContact OG-N 2.91Å; S1170-S1173 PolarHBondContact OG-OG 2.93Å; S1170-V1174 PolarHBondContact O-N 3.16Å | ||
| 1171 | L | 82 | Confident | 80.3 | Confident | 31 Ų | 31 | 36.3 Ų | 36.3 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.3 | -35.4 | 172.7 | 177.8 | 61.7 | 0 | 0 | 0 | 111.5 | I1164 I1169 V1174 L1175 M1200 F1204 L1212 | I1164-L1171 HydrophobicContact CD1-CD1 4.13Å; I1164-L1171 HydrophobicContact CG2-CB 4.01Å; I1164-L1171 HydrophobicContact CG2-CD1 4.39Å; I1169-L1171 PolarHBondContact O-N 2.85Å; L1171-V1174 PolarHBondContact O-N 3.32Å; L1171-L1175 HydrophobicContact CD1-CD1 4.13Å; L1171-L1175 HydrophobicContact CD1-CG 4.2Å; L1171-L1175 HydrophobicContact CG-CD1 3.9Å; L1171-L1175 HydrophobicContact CG-CG 4.39Å; L1171-L1175 WeakPolarHBondContact O-CB 3.36Å; L1171-L1175 WeakPolarHBondContact O-CG 3.34Å; L1171-L1175 PolarHBondContact O-N 3.44Å; L1171-M1200 HydrophobicContact CD1-CE 3.76Å; L1171-F1204 HydrophobicContact CD1-CD2 4.11Å; L1171-F1204 HydrophobicContact CD1-CE2 4.32Å; L1171-F1204 HydrophobicContact CD2-CG 4.48Å; L1171-L1212 HydrophobicContact CB-CD1 4.46Å; L1171-L1212 HydrophobicContact CD2-CD1 3.81Å; L1171-L1212 HydrophobicContact CG-CD1 3.93Å |
| 1172 | A | 83.2 | Confident | 80.1 | Confident | 50 Ų | 50 | 38.9 Ų | 38.9 | 41% | 0.413 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.7 | -46.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1170 V1174 L1175 E1176 | S1170-A1172 PolarHBondContact O-N 2.98Å; A1172-V1174 PolarHBondContact O-N 3.17Å; A1172-L1175 PolarHBondContact O-N 3.27Å; A1172-E1176 WeakPolarHBondContact O-CB 3.35Å; A1172-E1176 PolarHBondContact O-N 2.99Å |
| 1173 | S | 83.2 | Confident | 80 | Confident | 12 Ų | 12 | 42 Ų | 42 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.5 | -41.1 | -178.5 | 68.3 | 0 | 0 | 0 | 0 | 112.8 | N1135 Q1139 S1170 E1176 T1177 | N1135-S1173 WeakPolarHBondContact ND2-CB 3.24Å; N1135-S1173 PolarHBondContact ND2-OG 3.39Å; Q1139-S1173 PolarHBondContact NE2-O 3.47Å; S1170-S1173 PolarHBondContact O-N 3.36Å; S1170-S1173 PolarHBondContact O-OG 3.02Å; S1170-S1173 VanDerWaalsContact OG-CB 3.28Å; S1170-S1173 WeakPolarHBondContact OG-CB 3.48Å; S1170-S1173 PolarHBondContact OG-N 2.91Å; S1170-S1173 PolarHBondContact OG-OG 2.93Å; S1173-E1176 WeakPolarHBondContact O-CB 3.4Å; S1173-E1176 PolarHBondContact O-N 3.22Å; S1173-T1177 WeakPolarHBondContact O-CG2 3.46Å; S1173-T1177 PolarHBondContact O-N 3.39Å |
| 1174 | V | 83.1 | Confident | 79.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.8 | -38.1 | 178.2 | -175.1 | 0 | 0 | 0 | 0 | 110.6 | A1157 I1164 I1169 S1170 L1171 A1172 E1176 T1177 L1178 M1200 | A1157-V1174 HydrophobicContact CB-CG1 4.41Å; I1164-V1174 HydrophobicContact CD1-CB 4.23Å; I1164-V1174 HydrophobicContact CD1-CG2 3.96Å; I1164-V1174 HydrophobicContact CG1-CG2 4.35Å; I1169-V1174 HydrophobicContact CG2-CG2 3.69Å; S1170-V1174 PolarHBondContact O-N 3.16Å; L1171-V1174 PolarHBondContact O-N 3.32Å; A1172-V1174 PolarHBondContact O-N 3.17Å; V1174-E1176 VanDerWaalsContact C-N 3.34Å; V1174-T1177 WeakPolarHBondContact O-CB 3.43Å; V1174-T1177 PolarHBondContact O-N 2.84Å; V1174-T1177 PolarHBondContact O-OG1 3.16Å; V1174-L1178 PolarHBondContact O-N 3.45Å; V1174-M1200 HydrophobicContact CB-CE 3.82Å; V1174-M1200 HydrophobicContact CG1-CE 3.43Å; V1174-M1200 VanDerWaalsContact CG1-CE 3.43Å |
| 1175 | L | 84.2 | Confident | 79.7 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.2 | -35.8 | 173.8 | -70.9 | 175.2 | 0 | 0 | 0 | 112.2 | L1171 A1172 T1177 L1178 Q1179 M1200 I1209 L1212 L1213 | L1171-L1175 HydrophobicContact CD1-CD1 4.13Å; L1171-L1175 HydrophobicContact CD1-CG 4.2Å; L1171-L1175 HydrophobicContact CG-CD1 3.9Å; L1171-L1175 HydrophobicContact CG-CG 4.39Å; L1171-L1175 WeakPolarHBondContact O-CB 3.36Å; L1171-L1175 WeakPolarHBondContact O-CG 3.34Å; L1171-L1175 PolarHBondContact O-N 3.44Å; A1172-L1175 PolarHBondContact O-N 3.27Å; L1175-T1177 VanDerWaalsContact C-N 3.33Å; L1175-L1178 HydrophobicContact CD2-CD1 4.4Å; L1175-L1178 PolarHBondContact O-N 3.29Å; L1175-Q1179 WeakPolarHBondContact O-CG 3.37Å; L1175-Q1179 PolarHBondContact O-N 3.47Å; L1175-M1200 HydrophobicContact CD2-CE 4.47Å; L1175-M1200 HydrophobicContact CD2-SD 3.76Å; L1175-I1209 HydrophobicContact CD2-CG2 4.44Å; L1175-L1212 HydrophobicContact CD1-CB 3.62Å; L1175-L1212 HydrophobicContact CD1-CD1 3.75Å; L1175-L1212 HydrophobicContact CD1-CG 4.34Å; L1175-L1213 HydrophobicContact CD2-CD2 4.29Å; L1175-L1213 HydrophobicContact CD2-CG 4.45Å |
| 1176 | E | 85.4 | Confident | 80.1 | Confident | 117 Ų | 117 | 40.4 Ų | 40.4 | 55% | 0.547 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 172.4 | -168.3 | 177.6 | -176.8 | 0 | 0 | 110.9 | A1172 S1173 V1174 L1178 Q1179 S1180 | A1172-E1176 WeakPolarHBondContact O-CB 3.35Å; A1172-E1176 PolarHBondContact O-N 2.99Å; S1173-E1176 WeakPolarHBondContact O-CB 3.4Å; S1173-E1176 PolarHBondContact O-N 3.22Å; V1174-E1176 VanDerWaalsContact C-N 3.34Å; E1176-L1178 PolarHBondContact O-N 3.49Å; E1176-Q1179 PolarHBondContact O-N 3.07Å; E1176-S1180 WeakPolarHBondContact O-CB 3.3Å; E1176-S1180 PolarHBondContact O-N 3.05Å; E1176-S1180 PolarHBondContact O-OG 3.45Å |
| 1177 | T | 84.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.9 | -39.2 | 173 | 76.6 | 0 | 0 | 0 | 0 | 112.1 | Q1139 V1142 S1173 V1174 L1175 S1180 | Q1139-T1177 HydrophobicContact CB-CG2 4.26Å; Q1139-T1177 HydrophobicContact CG-CG2 3.17Å; V1142-T1177 VanDerWaalsContact CG1-O 3.26Å; V1142-T1177 WeakPolarHBondContact CG1-O 3.23Å; S1173-T1177 WeakPolarHBondContact O-CG2 3.46Å; S1173-T1177 PolarHBondContact O-N 3.39Å; V1174-T1177 WeakPolarHBondContact O-CB 3.43Å; V1174-T1177 PolarHBondContact O-N 2.84Å; V1174-T1177 PolarHBondContact O-OG1 3.16Å; L1175-T1177 VanDerWaalsContact C-N 3.33Å; T1177-S1180 PolarHBondContact O-OG 3.36Å |
| 1178 | L | 84 | Confident | 81.3 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -75.1 | -27.6 | -179.3 | -63.6 | 178.2 | 0 | 0 | 0 | 112 | L1154 V1174 L1175 E1176 I1181 I1196 M1200 | L1154-L1178 HydrophobicContact CD2-CD2 3.57Å; V1174-L1178 PolarHBondContact O-N 3.45Å; L1175-L1178 HydrophobicContact CD2-CD1 4.4Å; L1175-L1178 PolarHBondContact O-N 3.29Å; E1176-L1178 PolarHBondContact O-N 3.49Å; L1178-I1181 WeakPolarHBondContact O-CD1 3.29Å; L1178-I1181 VanDerWaalsContact O-CG1 3.31Å; L1178-I1181 WeakPolarHBondContact O-CG1 2.92Å; L1178-I1196 HydrophobicContact CD1-CG2 3.82Å; L1178-I1196 HydrophobicContact CD2-CD1 4.41Å; L1178-I1196 HydrophobicContact CD2-CG2 4.06Å; L1178-M1200 HydrophobicContact CD1-SD 4.13Å |
| 1179 | Q | 84.8 | Confident | 82 | Confident | 48 Ų | 48 | 46.4 Ų | 46.4 | 22% | 0.224 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -81.3 | -32.7 | 176.5 | -68.7 | -176.3 | 78.8 | 0 | 0 | 112.1 | L1175 E1176 I1181 L1212 L1213 S1214 | L1175-Q1179 WeakPolarHBondContact O-CG 3.37Å; L1175-Q1179 PolarHBondContact O-N 3.47Å; E1176-Q1179 PolarHBondContact O-N 3.07Å; Q1179-I1181 PolarHBondContact O-N 2.94Å; Q1179-L1212 PolarHBondContact NE2-O 3.49Å; Q1179-L1213 HydrophobicContact CG-CD2 3.94Å; Q1179-S1214 VanDerWaalsContact OE1-CB 3.26Å; Q1179-S1214 VanDerWaalsContact OE1-N 3.15Å; Q1179-S1214 PolarHBondContact OE1-OG 3.46Å |
| 1180 | S | 83.5 | Confident | 82.3 | Confident | 35 Ų | 35 | 52.5 Ų | 52.5 | 25% | 0.245 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -80.2 | 13.7 | -177.9 | 76.6 | 0 | 0 | 0 | 0 | 114.6 | E1176 T1177 H1182 | E1176-S1180 WeakPolarHBondContact O-CB 3.3Å; E1176-S1180 PolarHBondContact O-N 3.05Å; E1176-S1180 PolarHBondContact O-OG 3.45Å; T1177-S1180 PolarHBondContact O-OG 3.36Å; S1180-H1182 PolarHBondContact O-N 3.12Å |
| 1181 | I | 83.9 | Confident | 82.4 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 5% | 0.046 | 28% | 0.279 | C | S | . | . | trans | -61.8 | 128.3 | 177.8 | -59.3 | 165.6 | 0 | 0 | 0 | 109.9 | V1142 I1150 L1154 L1178 Q1179 S1183 K1186 V1193 | V1142-I1181 HydrophobicContact CG1-CB 3.92Å; V1142-I1181 HydrophobicContact CG1-CG1 3.36Å; V1142-I1181 HydrophobicContact CG1-CG2 4.42Å; I1150-I1181 HydrophobicContact CG2-CG2 4.2Å; L1154-I1181 HydrophobicContact CD2-CD1 4.23Å; L1178-I1181 WeakPolarHBondContact O-CD1 3.29Å; L1178-I1181 VanDerWaalsContact O-CG1 3.31Å; L1178-I1181 WeakPolarHBondContact O-CG1 2.92Å; Q1179-I1181 PolarHBondContact O-N 2.94Å; I1181-S1183 PolarHBondContact O-N 3.32Å; I1181-K1186 HydrophobicContact CB-CG 4.29Å; I1181-K1186 HydrophobicContact CG2-CG 4.15Å; I1181-K1186 WeakPolarHBondContact O-CE 3.2Å; I1181-V1193 HydrophobicContact CD1-CG1 4.46Å; I1181-V1193 HydrophobicContact CD1-CG2 3.29Å | ||
| 1182 | H | 81.6 | Confident | 82.5 | Confident | 62 Ų | 62 | 56.1 Ų | 56.1 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | trans | -53.4 | 137.2 | 177.1 | -172.6 | -91.6 | 0 | 0 | 0 | 112.4 | V1142 N1145 I1150 S1180 S1184 C1185 K1186 | V1142-H1182 PolarHBondContact O-N 2.9Å; N1145-H1182 PolarHBondContact OD1-CE1 3.5Å; I1150-H1182 HydrophobicContact CD1-CB 4.42Å; S1180-H1182 PolarHBondContact O-N 3.12Å; H1182-S1184 PolarHBondContact CE1-OG 2.82Å; H1182-S1184 WeakPolarHBondContact ND1-CB 3.47Å; H1182-S1184 PolarHBondContact ND1-N 3.15Å; H1182-S1184 PolarHBondContact ND1-OG 3.22Å; H1182-S1184 PolarHBondContact O-N 2.94Å; H1182-S1184 VanDerWaalsContact O-N 3.12Å; H1182-C1185 PolarHBondContact O-N 2.82Å; H1182-K1186 PolarHBondContact O-N 3.43Å | ||
| 1183 | S | 77.6 | Confident | 82.7 | Confident | 95 Ų | 95 | 54.1 Ų | 54.1 | 66% | 0.664 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -54.4 | -36.3 | -171.5 | 61.4 | 0 | 0 | 0 | 0 | 113.8 | I1181 C1185 | I1181-S1183 PolarHBondContact O-N 3.32Å; S1183-C1185 PolarHBondContact O-N 3.22Å |
| 1184 | S | 78 | Confident | 82.7 | Confident | 61 Ų | 61 | 55.1 Ų | 55.1 | 43% | 0.427 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -60.6 | -26.6 | 179.9 | 69.6 | 0 | 0 | 0 | 0 | 113.8 | N1145 H1182 | N1145-S1184 PolarHBondContact OD1-OG 3.47Å; N1145-S1184 VanDerWaalsContact OD1-OG 3.08Å; H1182-S1184 PolarHBondContact CE1-OG 2.82Å; H1182-S1184 WeakPolarHBondContact ND1-CB 3.47Å; H1182-S1184 PolarHBondContact ND1-N 3.15Å; H1182-S1184 PolarHBondContact ND1-OG 3.22Å; H1182-S1184 PolarHBondContact O-N 2.94Å; H1182-S1184 VanDerWaalsContact O-N 3.12Å |
| 1185 | C | 80 | Confident | 82.8 | Confident | 8 Ų | 8 | 57.1 Ų | 57.1 | 5% | 0.054 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -116 | -2.6 | -171.6 | -69.3 | 0 | 0 | 0 | 0 | 114.9 | I1150 H1182 S1183 R1187 P1188 L1189 | I1150-C1185 HydrophobicContact CD1-CB 3.37Å; I1150-C1185 VanDerWaalsContact CD1-SG 3.51Å; H1182-C1185 PolarHBondContact O-N 2.82Å; S1183-C1185 PolarHBondContact O-N 3.22Å; C1185-R1187 VanDerWaalsContact C-N 3.33Å; C1185-R1187 PolarHBondContact O-N 3.19Å; C1185-P1188 HydrophobicContact CB-CG 4.42Å; C1185-P1188 WeakPolarHBondContact O-CD 3.35Å; C1185-P1188 WeakPolarHBondContact O-CG 3.39Å; C1185-L1189 HydrophobicContact CB-CD1 4.05Å; C1185-L1189 PolarHBondContact O-N 3Å |
| 1186 | K | 81.4 | Confident | 82.8 | Confident | 89 Ų | 89 | 57.2 Ų | 57.2 | 39% | 0.387 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -46.3 | 177.4 | -72.1 | -172.5 | 176.9 | -172.8 | 0 | 112.5 | I1181 H1182 R1190 | I1181-K1186 HydrophobicContact CB-CG 4.29Å; I1181-K1186 HydrophobicContact CG2-CG 4.15Å; I1181-K1186 WeakPolarHBondContact O-CE 3.2Å; H1182-K1186 PolarHBondContact O-N 3.43Å; K1186-R1190 PolarHBondContact O-N 2.83Å |
| 1187 | R | 82.2 | Confident | 82.8 | Confident | 214 Ų | 214 | 51.9 Ų | 51.9 | 81% | 0.808 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -53.8 | 179.3 | -68.6 | -179.1 | -175.9 | 159.3 | 1.6 | 114.3 | C1185 L1189 R1190 | C1185-R1187 VanDerWaalsContact C-N 3.33Å; C1185-R1187 PolarHBondContact O-N 3.19Å; R1187-L1189 VanDerWaalsContact C-N 3.32Å; R1187-L1189 PolarHBondContact O-N 2.95Å; R1187-R1190 WeakPolarHBondContact O-CB 3.29Å; R1187-R1190 WeakPolarHBondContact O-CD 3.36Å; R1187-R1190 WeakPolarHBondContact O-CG 3.39Å; R1187-R1190 PolarHBondContact O-N 2.91Å |
| 1188 | P | 80.1 | Confident | 82.8 | Confident | 57 Ų | 57 | 53 Ų | 53 | 37% | 0.37 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -24.4 | -175.8 | 24.8 | -35.6 | 0 | 0 | 0 | 114.4 | C1185 | C1185-P1188 HydrophobicContact CB-CG 4.42Å; C1185-P1188 WeakPolarHBondContact O-CD 3.35Å; C1185-P1188 WeakPolarHBondContact O-CG 3.39Å |
| 1189 | L | 83.3 | Confident | 82.8 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 2.5 | 179.3 | -62.5 | 176 | 0 | 0 | 0 | 113.3 | R1147 I1150 L1154 C1185 R1187 F1191 V1192 V1193 | R1147-L1189 HydrophobicContact CG-CD1 4.47Å; R1147-L1189 HydrophobicContact CG-CD2 4.44Å; I1150-L1189 HydrophobicContact CB-CD1 3.83Å; I1150-L1189 HydrophobicContact CG2-CD1 3.36Å; L1154-L1189 HydrophobicContact CD1-CB 4.18Å; L1154-L1189 HydrophobicContact CD1-CD1 4.05Å; C1185-L1189 HydrophobicContact CB-CD1 4.05Å; C1185-L1189 PolarHBondContact O-N 3Å; R1187-L1189 VanDerWaalsContact C-N 3.32Å; R1187-L1189 PolarHBondContact O-N 2.95Å; L1189-F1191 PolarHBondContact O-N 3.19Å; L1189-V1192 HydrophobicContact CD2-CG2 4.35Å; L1189-V1192 WeakPolarHBondContact O-CA 3.47Å; L1189-V1192 WeakPolarHBondContact O-CB 3.47Å; L1189-V1192 PolarHBondContact O-N 2.66Å; L1189-V1193 WeakPolarHBondContact O-CG2 3.45Å; L1189-V1193 PolarHBondContact O-N 3.14Å |
| 1190 | R | 82.6 | Confident | 82.6 | Confident | 134 Ų | 134 | 53.4 Ų | 53.4 | 51% | 0.506 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -51 | -34.5 | -178.7 | 74 | -174 | -179.6 | -180 | -3.1 | 114.5 | K1186 R1187 K1194 | K1186-R1190 PolarHBondContact O-N 2.83Å; R1187-R1190 WeakPolarHBondContact O-CB 3.29Å; R1187-R1190 WeakPolarHBondContact O-CD 3.36Å; R1187-R1190 WeakPolarHBondContact O-CG 3.39Å; R1187-R1190 PolarHBondContact O-N 2.91Å; R1190-K1194 WeakPolarHBondContact O-CB 3.38Å; R1190-K1194 PolarHBondContact O-N 3.04Å |
| 1191 | F | 81.7 | Confident | 82.6 | Confident | 135 Ų | 135 | 52.6 Ų | 52.6 | 59% | 0.592 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -76.9 | -31.5 | 179.8 | -64.3 | -69.4 | 0 | 0 | 0 | 112.5 | L1189 K1194 S1195 | L1189-F1191 PolarHBondContact O-N 3.19Å; F1191-K1194 PolarHBondContact O-N 3.05Å; F1191-S1195 PolarHBondContact O-N 3.16Å; F1191-S1195 PolarHBondContact O-OG 3.23Å |
| 1192 | V | 84.8 | Confident | 82.5 | Confident | 43 Ų | 43 | 58.1 Ų | 58.1 | 26% | 0.261 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70.2 | -43.6 | 172.8 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | L1154 L1189 K1194 S1195 I1196 | L1154-V1192 HydrophobicContact CB-CG1 4.27Å; L1154-V1192 HydrophobicContact CD1-CB 4.36Å; L1154-V1192 HydrophobicContact CD1-CG1 4.02Å; L1189-V1192 HydrophobicContact CD2-CG2 4.35Å; L1189-V1192 WeakPolarHBondContact O-CA 3.47Å; L1189-V1192 WeakPolarHBondContact O-CB 3.47Å; L1189-V1192 PolarHBondContact O-N 2.66Å; V1192-K1194 VanDerWaalsContact C-N 3.32Å; V1192-K1194 PolarHBondContact O-N 2.88Å; V1192-S1195 PolarHBondContact O-N 3.02Å; V1192-S1195 PolarHBondContact O-OG 3.38Å; V1192-I1196 HydrophobicContact CG1-CD1 4.16Å; V1192-I1196 VanDerWaalsContact O-CG1 3.31Å; V1192-I1196 WeakPolarHBondContact O-CG1 3.39Å; V1192-I1196 PolarHBondContact O-N 3.36Å |
| 1193 | V | 85.9 | Confident | 82.4 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 5% | 0.048 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 173.6 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | L1154 I1181 L1189 S1195 I1196 L1197 | L1154-V1193 HydrophobicContact CD1-CG2 4.2Å; L1154-V1193 HydrophobicContact CD2-CG2 4.34Å; I1181-V1193 HydrophobicContact CD1-CG1 4.46Å; I1181-V1193 HydrophobicContact CD1-CG2 3.29Å; L1189-V1193 WeakPolarHBondContact O-CG2 3.45Å; L1189-V1193 PolarHBondContact O-N 3.14Å; V1193-S1195 VanDerWaalsContact C-N 3.35Å; V1193-S1195 PolarHBondContact O-N 2.91Å; V1193-I1196 PolarHBondContact O-N 2.85Å; V1193-L1197 VanDerWaalsContact O-CB 3.32Å; V1193-L1197 WeakPolarHBondContact O-CB 3.46Å; V1193-L1197 PolarHBondContact O-N 2.92Å |
| 1194 | K | 84.9 | Confident | 82.6 | Confident | 33 Ų | 33 | 57.9 Ų | 57.9 | 14% | 0.143 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 177.1 | -168.5 | -174 | -178.9 | -142.3 | 0 | 112.1 | R1190 F1191 V1192 L1197 E1198 M1220 | R1190-K1194 WeakPolarHBondContact O-CB 3.38Å; R1190-K1194 PolarHBondContact O-N 3.04Å; F1191-K1194 PolarHBondContact O-N 3.05Å; V1192-K1194 VanDerWaalsContact C-N 3.32Å; V1192-K1194 PolarHBondContact O-N 2.88Å; K1194-L1197 PolarHBondContact O-N 3.43Å; K1194-E1198 WeakPolarHBondContact CE-OE1 3.42Å; K1194-E1198 HydrophobicContact CG-CG 4.47Å; K1194-E1198 IonicContact NZ-OE1 3.58Å; K1194-E1198 PolarHBondContact NZ-OE1 3.01Å; K1194-E1198 VanDerWaalsContact O-CB 3.29Å; K1194-E1198 WeakPolarHBondContact O-CB 3.38Å; K1194-E1198 VanDerWaalsContact O-CG 3.22Å; K1194-E1198 WeakPolarHBondContact O-CG 3.5Å; K1194-E1198 PolarHBondContact O-N 2.9Å; K1194-M1220 HydrophobicContact CB-SD 4.44Å |
| 1195 | S | 84.2 | Confident | 82.7 | Confident | 42 Ų | 42 | 56.6 Ų | 56.6 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -70.1 | -33.8 | 178.7 | 65.5 | 0 | 0 | 0 | 0 | 113 | F1191 V1192 V1193 E1198 K1199 | F1191-S1195 PolarHBondContact O-N 3.16Å; F1191-S1195 PolarHBondContact O-OG 3.23Å; V1192-S1195 PolarHBondContact O-N 3.02Å; V1192-S1195 PolarHBondContact O-OG 3.38Å; V1193-S1195 VanDerWaalsContact C-N 3.35Å; V1193-S1195 PolarHBondContact O-N 2.91Å; S1195-E1198 PolarHBondContact O-N 2.76Å; S1195-K1199 PolarHBondContact O-N 3.07Å; S1195-K1199 VanDerWaalsContact O-N 3.1Å |
| 1196 | I | 84.8 | Confident | 82.7 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.9 | -47.7 | 171.9 | -69.3 | 168.1 | 0 | 0 | 0 | 110.6 | L1154 R1158 I1161 L1178 V1192 V1193 E1198 K1199 M1200 | L1154-I1196 HydrophobicContact CB-CD1 3.91Å; L1154-I1196 HydrophobicContact CD2-CD1 4.16Å; L1154-I1196 VanDerWaalsContact O-CD1 3.27Å; L1154-I1196 WeakPolarHBondContact O-CD1 3.45Å; R1158-I1196 HydrophobicContact CB-CD1 4.3Å; R1158-I1196 HydrophobicContact CB-CG1 4.07Å; I1161-I1196 HydrophobicContact CD1-CG2 4.09Å; L1178-I1196 HydrophobicContact CD1-CG2 3.82Å; L1178-I1196 HydrophobicContact CD2-CD1 4.41Å; L1178-I1196 HydrophobicContact CD2-CG2 4.06Å; V1192-I1196 HydrophobicContact CG1-CD1 4.16Å; V1192-I1196 VanDerWaalsContact O-CG1 3.31Å; V1192-I1196 WeakPolarHBondContact O-CG1 3.39Å; V1192-I1196 PolarHBondContact O-N 3.36Å; V1193-I1196 PolarHBondContact O-N 2.85Å; I1196-E1198 VanDerWaalsContact C-N 3.27Å; I1196-E1198 PolarHBondContact O-N 2.84Å; I1196-K1199 WeakPolarHBondContact O-CB 3.43Å; I1196-K1199 PolarHBondContact O-N 3.28Å; I1196-K1199 VanDerWaalsContact O-N 3.16Å; I1196-M1200 PolarHBondContact O-N 3.1Å |
| 1197 | L | 84.2 | Confident | 82.6 | Confident | 6 Ų | 6 | 64.8 Ų | 64.8 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 176.2 | -173 | 71.4 | 0 | 0 | 0 | 111.2 | V1193 K1194 K1199 M1200 I1201 I1209 L1213 M1220 V1221 | V1193-L1197 VanDerWaalsContact O-CB 3.32Å; V1193-L1197 WeakPolarHBondContact O-CB 3.46Å; V1193-L1197 PolarHBondContact O-N 2.92Å; K1194-L1197 PolarHBondContact O-N 3.43Å; L1197-K1199 VanDerWaalsContact C-N 3.34Å; L1197-K1199 PolarHBondContact O-N 3.4Å; L1197-M1200 PolarHBondContact O-N 3.42Å; L1197-I1201 HydrophobicContact CD2-CD1 4.47Å; L1197-I1201 HydrophobicContact CG-CD1 3.96Å; L1197-I1201 WeakPolarHBondContact O-CD1 3.38Å; L1197-I1201 WeakPolarHBondContact O-CG1 3.34Å; L1197-I1201 PolarHBondContact O-N 3.08Å; L1197-I1209 HydrophobicContact CD1-CG2 3.86Å; L1197-L1213 HydrophobicContact CD1-CD1 4.04Å; L1197-M1220 HydrophobicContact CD2-CG 4.47Å; L1197-V1221 HydrophobicContact CD1-CG2 4.02Å; L1197-V1221 HydrophobicContact CD2-CB 4.39Å; L1197-V1221 HydrophobicContact CD2-CG2 3.66Å; L1197-V1221 HydrophobicContact CG-CG2 4.22Å |
| 1198 | E | 85.7 | Confident | 82.4 | Confident | 23 Ų | 23 | 57 Ų | 57 | 11% | 0.107 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.3 | -44 | 175.7 | -81.9 | 176.5 | -165.3 | 0 | 0 | 111.1 | K1194 S1195 I1196 I1201 K1202 M1228 R1231 | K1194-E1198 WeakPolarHBondContact CE-OE1 3.42Å; K1194-E1198 HydrophobicContact CG-CG 4.47Å; K1194-E1198 IonicContact NZ-OE1 3.58Å; K1194-E1198 PolarHBondContact NZ-OE1 3.01Å; K1194-E1198 VanDerWaalsContact O-CB 3.29Å; K1194-E1198 WeakPolarHBondContact O-CB 3.38Å; K1194-E1198 VanDerWaalsContact O-CG 3.22Å; K1194-E1198 WeakPolarHBondContact O-CG 3.5Å; K1194-E1198 PolarHBondContact O-N 2.9Å; S1195-E1198 PolarHBondContact O-N 2.76Å; I1196-E1198 VanDerWaalsContact C-N 3.27Å; I1196-E1198 PolarHBondContact O-N 2.84Å; E1198-I1201 PolarHBondContact O-N 3.2Å; E1198-K1202 PolarHBondContact O-N 3.32Å; E1198-M1228 HydrophobicContact CB-CE 3.27Å; E1198-M1228 HydrophobicContact CG-CE 3.48Å; E1198-M1228 VanDerWaalsContact CG-CE 3.48Å; E1198-M1228 HydrophobicContact CG-CG 4.43Å; E1198-M1228 WeakPolarHBondContact O-CE 3.37Å; E1198-R1231 IonicContact OE1-NH1 2.86Å; E1198-R1231 IonicContact OE2-NH1 3.8Å; E1198-R1231 PolarHBondContact OE2-NH1 3.11Å |
| 1199 | K | 83.5 | Confident | 82.4 | Confident | 62 Ų | 62 | 54.3 Ų | 54.3 | 27% | 0.27 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 173.1 | -75.1 | 175.2 | 178.3 | -98.2 | 0 | 113.2 | D1038 R1158 I1161 S1195 I1196 L1197 K1202 K1203 | D1038-K1199 IonicContact OD2-NZ 3.88Å; D1038-K1199 PolarHBondContact OD2-NZ 3.49Å; R1158-K1199 HydrophobicContact CG-CD 4.39Å; R1158-K1199 VanDerWaalsContact NH2-CE 3.26Å; I1161-K1199 HydrophobicContact CD1-CB 4.08Å; S1195-K1199 PolarHBondContact O-N 3.07Å; S1195-K1199 VanDerWaalsContact O-N 3.1Å; I1196-K1199 WeakPolarHBondContact O-CB 3.43Å; I1196-K1199 PolarHBondContact O-N 3.28Å; I1196-K1199 VanDerWaalsContact O-N 3.16Å; L1197-K1199 VanDerWaalsContact C-N 3.34Å; L1197-K1199 PolarHBondContact O-N 3.4Å; K1199-K1202 PolarHBondContact O-N 2.77Å; K1199-K1203 PolarHBondContact O-N 3.28Å |
| 1200 | M | 81.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 176.2 | -70.3 | -174.4 | 129.5 | 0 | 0 | 111.4 | I1161 I1164 L1171 V1174 L1175 L1178 I1196 L1197 K1202 K1203 F1204 I1209 | I1161-M1200 HydrophobicContact CD1-CG 4.05Å; I1161-M1200 HydrophobicContact CG1-CE 4.38Å; I1161-M1200 HydrophobicContact CG1-CG 4.28Å; I1161-M1200 HydrophobicContact CG2-CG 4.35Å; I1164-M1200 HydrophobicContact CD1-CE 3.61Å; L1171-M1200 HydrophobicContact CD1-CE 3.76Å; V1174-M1200 HydrophobicContact CB-CE 3.82Å; V1174-M1200 HydrophobicContact CG1-CE 3.43Å; V1174-M1200 VanDerWaalsContact CG1-CE 3.43Å; L1175-M1200 HydrophobicContact CD2-CE 4.47Å; L1175-M1200 HydrophobicContact CD2-SD 3.76Å; L1178-M1200 HydrophobicContact CD1-SD 4.13Å; I1196-M1200 PolarHBondContact O-N 3.1Å; L1197-M1200 PolarHBondContact O-N 3.42Å; M1200-K1202 VanDerWaalsContact C-N 3.33Å; M1200-K1202 PolarHBondContact O-N 3.1Å; M1200-K1203 PolarHBondContact O-N 3.24Å; M1200-K1203 VanDerWaalsContact O-N 3.1Å; M1200-F1204 HydrophobicContact CB-CD2 4.39Å; M1200-F1204 WeakPolarHBondContact O-CD2 3.47Å; M1200-F1204 PolarHBondContact O-N 3.11Å; M1200-I1209 HydrophobicContact CB-CD1 3.69Å; M1200-I1209 WeakPolarHBondContact O-CD1 3.45Å |
| 1201 | I | 83 | Confident | 82 | Confident | 18 Ų | 18 | 53.2 Ų | 53.2 | 9% | 0.092 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 177.4 | -67.5 | 160.9 | 0 | 0 | 0 | 110.8 | L1197 E1198 K1203 G1205 I1209 V1221 S1224 V1225 M1228 | L1197-I1201 HydrophobicContact CD2-CD1 4.47Å; L1197-I1201 HydrophobicContact CG-CD1 3.96Å; L1197-I1201 WeakPolarHBondContact O-CD1 3.38Å; L1197-I1201 WeakPolarHBondContact O-CG1 3.34Å; L1197-I1201 PolarHBondContact O-N 3.08Å; E1198-I1201 PolarHBondContact O-N 3.2Å; I1201-K1203 PolarHBondContact O-N 3.43Å; I1201-G1205 WeakPolarHBondContact O-CA 3.31Å; I1201-G1205 PolarHBondContact O-N 3.49Å; I1201-I1209 VanDerWaalsContact CA-CD1 3.49Å; I1201-I1209 HydrophobicContact CB-CD1 4.22Å; I1201-I1209 HydrophobicContact CG1-CD1 3.69Å; I1201-I1209 VanDerWaalsContact N-CD1 3.34Å; I1201-V1221 HydrophobicContact CD1-CG1 4.02Å; I1201-S1224 WeakPolarHBondContact CD1-OG 3.38Å; I1201-V1225 HydrophobicContact CD1-CG2 4.12Å; I1201-V1225 HydrophobicContact CG2-CG2 4.13Å; I1201-M1228 HydrophobicContact CG2-SD 4.37Å |
| 1202 | K | 82.1 | Confident | 81.9 | Confident | 125 Ų | 125 | 50.7 Ų | 50.7 | 54% | 0.543 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.5 | -30.7 | 176 | -166.6 | 169.7 | 177.6 | 174.4 | 0 | 112.1 | E1015 E1198 K1199 M1200 | E1015-K1202 IonicContact OE1-NZ 3.5Å; E1015-K1202 PolarHBondContact OE1-NZ 2.97Å; E1015-K1202 IonicContact OE2-NZ 2.74Å; E1015-K1202 PolarHBondContact OE2-NZ 3.03Å; E1198-K1202 PolarHBondContact O-N 3.32Å; K1199-K1202 PolarHBondContact O-N 2.77Å; M1200-K1202 VanDerWaalsContact C-N 3.33Å; M1200-K1202 PolarHBondContact O-N 3.1Å |
| 1203 | K | 79.3 | Confident | 81.7 | Confident | 96 Ų | 96 | 49.2 Ų | 49.2 | 42% | 0.417 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -92.7 | -37.6 | -178.3 | -70.9 | -162.7 | 173.6 | -154.8 | 0 | 116 | N1042 I1161 K1199 M1200 I1201 | N1042-K1203 PolarHBondContact OD1-NZ 2.88Å; I1161-K1203 HydrophobicContact CG2-CD 4.06Å; K1199-K1203 PolarHBondContact O-N 3.28Å; M1200-K1203 PolarHBondContact O-N 3.24Å; M1200-K1203 VanDerWaalsContact O-N 3.1Å; I1201-K1203 PolarHBondContact O-N 3.43Å |
| 1204 | F | 81.3 | Confident | 81.3 | Confident | 56 Ų | 56 | 51 Ų | 51 | 25% | 0.246 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -115.2 | -4.2 | -172.5 | -57 | -73 | 0 | 0 | 0 | 114.2 | I1161 I1164 L1171 M1200 I1209 | I1161-F1204 HydrophobicContact CG2-CE2 4.2Å; I1164-F1204 HydrophobicContact CB-CE1 4.25Å; I1164-F1204 HydrophobicContact CB-CE2 4.36Å; I1164-F1204 HydrophobicContact CB-CZ 3.61Å; I1164-F1204 HydrophobicContact CD1-CE2 4.17Å; I1164-F1204 HydrophobicContact CD1-CZ 4.28Å; I1164-F1204 HydrophobicContact CG2-CE1 3.66Å; I1164-F1204 HydrophobicContact CG2-CE2 4.17Å; I1164-F1204 HydrophobicContact CG2-CZ 3.43Å; I1164-F1204 VanDerWaalsContact CG2-CZ 3.43Å; L1171-F1204 HydrophobicContact CD1-CD2 4.11Å; L1171-F1204 HydrophobicContact CD1-CE2 4.32Å; L1171-F1204 HydrophobicContact CD2-CG 4.48Å; M1200-F1204 HydrophobicContact CB-CD2 4.39Å; M1200-F1204 WeakPolarHBondContact O-CD2 3.47Å; M1200-F1204 PolarHBondContact O-N 3.11Å; F1204-I1209 HydrophobicContact CB-CD1 4.44Å; F1204-I1209 HydrophobicContact CB-CG1 4.49Å |
| 1205 | G | 81.2 | Confident | 80.8 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 34% | 0.34 | 30% | 0.3 | S | S | . | . | trans | 76.5 | 164.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I1201 I1209 | I1201-G1205 WeakPolarHBondContact O-CA 3.31Å; I1201-G1205 PolarHBondContact O-N 3.49Å; G1205-I1209 WeakPolarHBondContact O-CD1 3.49Å | ||
| 1206 | R | 78.1 | Confident | 80.1 | Confident | 100 Ų | 100 | 59.1 Ų | 59.1 | 38% | 0.377 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.8 | -43.7 | -172.3 | 177 | -176 | 167 | -117.1 | -10 | 113.5 | I1209 Q1210 V1221 V1225 | R1206-I1209 PolarHBondContact O-N 3.5Å; R1206-Q1210 VanDerWaalsContact CZ-OE1 3.25Å; R1206-Q1210 WeakPolarHBondContact O-CB 3.43Å; R1206-Q1210 PolarHBondContact O-N 3.08Å; R1206-V1221 HydrophobicContact CG-CG1 4.45Å; R1206-V1225 HydrophobicContact CG-CG2 4.33Å |
| 1207 | Q | 79.7 | Confident | 79.6 | Confident | 169 Ų | 169 | 60.3 Ų | 60.3 | 79% | 0.79 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66.4 | -45.5 | -169.7 | -70.4 | 179.3 | -8.7 | 0 | 0 | 111.8 | I1209 Q1210 G1211 | Q1207-I1209 VanDerWaalsContact C-N 3.35Å; Q1207-I1209 PolarHBondContact O-N 3.23Å; Q1207-Q1210 PolarHBondContact O-N 3.12Å; Q1207-G1211 PolarHBondContact O-N 3.35Å; Q1207-G1211 VanDerWaalsContact O-N 3.15Å |
| 1208 | A | 79.2 | Confident | 79.4 | Confident | 51 Ų | 51 | 62.8 Ų | 62.8 | 42% | 0.421 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1209 | I | 80 | Confident | 79.1 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.9 | -38.7 | -179.8 | -66.6 | 171 | 0 | 0 | 0 | 111.7 | L1175 L1197 M1200 I1201 F1204 G1205 R1206 Q1207 G1211 L1212 L1213 V1221 | L1175-I1209 HydrophobicContact CD2-CG2 4.44Å; L1197-I1209 HydrophobicContact CD1-CG2 3.86Å; M1200-I1209 HydrophobicContact CB-CD1 3.69Å; M1200-I1209 WeakPolarHBondContact O-CD1 3.45Å; I1201-I1209 VanDerWaalsContact CA-CD1 3.49Å; I1201-I1209 HydrophobicContact CB-CD1 4.22Å; I1201-I1209 HydrophobicContact CG1-CD1 3.69Å; I1201-I1209 VanDerWaalsContact N-CD1 3.34Å; F1204-I1209 HydrophobicContact CB-CD1 4.44Å; F1204-I1209 HydrophobicContact CB-CG1 4.49Å; G1205-I1209 WeakPolarHBondContact O-CD1 3.49Å; R1206-I1209 PolarHBondContact O-N 3.5Å; Q1207-I1209 VanDerWaalsContact C-N 3.35Å; Q1207-I1209 PolarHBondContact O-N 3.23Å; I1209-G1211 VanDerWaalsContact C-N 3.33Å; I1209-G1211 PolarHBondContact O-N 3.13Å; I1209-L1212 PolarHBondContact O-N 3.29Å; I1209-L1213 HydrophobicContact CG2-CD1 3.41Å; I1209-L1213 VanDerWaalsContact CG2-CD1 3.41Å; I1209-L1213 HydrophobicContact CG2-CG 4.4Å; I1209-L1213 WeakPolarHBondContact O-CD1 3.23Å; I1209-L1213 WeakPolarHBondContact O-CG 3.46Å; I1209-L1213 PolarHBondContact O-N 2.83Å; I1209-V1221 HydrophobicContact CG2-CG2 4.19Å |
| 1210 | Q | 78.8 | Confident | 78.7 | Confident | 47 Ų | 47 | 68.3 Ų | 68.3 | 22% | 0.22 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.5 | -33.8 | -178.8 | -168.7 | 176.9 | -17.8 | 0 | 0 | 112.4 | R1206 Q1207 L1212 Q1218 | R1206-Q1210 VanDerWaalsContact CZ-OE1 3.25Å; R1206-Q1210 WeakPolarHBondContact O-CB 3.43Å; R1206-Q1210 PolarHBondContact O-N 3.08Å; Q1207-Q1210 PolarHBondContact O-N 3.12Å; Q1210-L1212 VanDerWaalsContact C-N 3.32Å; Q1210-L1212 PolarHBondContact O-N 3.28Å; Q1210-Q1218 HydrophobicContact CG-CG 4.01Å; Q1210-Q1218 PolarHBondContact O-NE2 3.09Å; Q1210-Q1218 VanDerWaalsContact O-NE2 3.12Å |
| 1211 | G | 77.9 | Confident | 78.5 | Confident | 68 Ų | 68 | 68.4 Ų | 68.4 | 70% | 0.701 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66.8 | -28.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q1207 I1209 | Q1207-G1211 PolarHBondContact O-N 3.35Å; Q1207-G1211 VanDerWaalsContact O-N 3.15Å; I1209-G1211 VanDerWaalsContact C-N 3.33Å; I1209-G1211 PolarHBondContact O-N 3.13Å |
| 1212 | L | 79 | Confident | 78.4 | Confident | 83 Ų | 83 | 74.3 Ų | 74.3 | 44% | 0.435 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -94.9 | -8.8 | -176.4 | -65.7 | 171.7 | 0 | 0 | 0 | 114.2 | L1171 L1175 Q1179 I1209 Q1210 | L1171-L1212 HydrophobicContact CB-CD1 4.46Å; L1171-L1212 HydrophobicContact CD2-CD1 3.81Å; L1171-L1212 HydrophobicContact CG-CD1 3.93Å; L1175-L1212 HydrophobicContact CD1-CB 3.62Å; L1175-L1212 HydrophobicContact CD1-CD1 3.75Å; L1175-L1212 HydrophobicContact CD1-CG 4.34Å; Q1179-L1212 PolarHBondContact NE2-O 3.49Å; I1209-L1212 PolarHBondContact O-N 3.29Å; Q1210-L1212 VanDerWaalsContact C-N 3.32Å; Q1210-L1212 PolarHBondContact O-N 3.28Å |
| 1213 | L | 81.4 | Confident | 78.4 | Confident | 11 Ų | 11 | 73 Ų | 73 | 6% | 0.058 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -101.1 | 141 | -174.8 | -78.9 | 165.9 | 0 | 0 | 0 | 112.4 | L1175 Q1179 L1197 I1209 H1217 Q1218 V1221 | L1175-L1213 HydrophobicContact CD2-CD2 4.29Å; L1175-L1213 HydrophobicContact CD2-CG 4.45Å; Q1179-L1213 HydrophobicContact CG-CD2 3.94Å; L1197-L1213 HydrophobicContact CD1-CD1 4.04Å; I1209-L1213 HydrophobicContact CG2-CD1 3.41Å; I1209-L1213 VanDerWaalsContact CG2-CD1 3.41Å; I1209-L1213 HydrophobicContact CG2-CG 4.4Å; I1209-L1213 WeakPolarHBondContact O-CD1 3.23Å; I1209-L1213 WeakPolarHBondContact O-CG 3.46Å; I1209-L1213 PolarHBondContact O-N 2.83Å; L1213-H1217 HydrophobicContact CB-CB 4.27Å; L1213-H1217 HydrophobicContact CD1-CB 4.43Å; L1213-H1217 HydrophobicContact CD2-CB 3.77Å; L1213-H1217 HydrophobicContact CG-CB 4.4Å; L1213-Q1218 HydrophobicContact CB-CG 4.27Å; L1213-Q1218 WeakPolarHBondContact O-CG 3.43Å; L1213-Q1218 PolarHBondContact O-NE2 3.44Å; L1213-V1221 HydrophobicContact CD1-CG2 3.43Å; L1213-V1221 VanDerWaalsContact CD1-CG2 3.43Å |
| 1214 | S | 78.1 | Confident | 78.5 | Confident | 47 Ų | 47 | 68.4 Ų | 68.4 | 33% | 0.329 | 36% | 0.36 | S | S | . | . | trans | -59.4 | 154 | 167.1 | 52.5 | 0 | 0 | 0 | 0 | 113.2 | Q1179 E1216 H1217 Q1218 | Q1179-S1214 VanDerWaalsContact OE1-CB 3.26Å; Q1179-S1214 VanDerWaalsContact OE1-N 3.15Å; Q1179-S1214 PolarHBondContact OE1-OG 3.46Å; S1214-E1216 PolarHBondContact O-N 3.42Å; S1214-E1216 VanDerWaalsContact O-N 3.08Å; S1214-H1217 PolarHBondContact O-N 2.9Å; S1214-H1217 PolarHBondContact OG-ND1 3.07Å; S1214-Q1218 PolarHBondContact O-N 3.31Å; S1214-Q1218 VanDerWaalsContact O-N 3.1Å | ||
| 1215 | V | 73.9 | Confident | 78.5 | Confident | 103 Ų | 103 | 67.7 Ų | 67.7 | 62% | 0.624 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -52.8 | -35.3 | -174.1 | -178.1 | 0 | 0 | 0 | 0 | 113.3 | H1217 Q1218 | V1215-H1217 PolarHBondContact O-N 3.34Å; V1215-Q1218 PolarHBondContact O-N 2.97Å |
| 1216 | E | 69 | Low | 78.6 | Confident | 142 Ų | 142 | 71.8 Ų | 71.8 | 66% | 0.664 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.2 | -44.7 | 177.6 | -62.3 | -169.5 | 159.6 | 0 | 0 | 112.4 | S1214 | S1214-E1216 PolarHBondContact O-N 3.42Å; S1214-E1216 VanDerWaalsContact O-N 3.08Å |
| 1217 | H | 74 | Confident | 78.8 | Confident | 26 Ų | 26 | 70 Ų | 70 | 12% | 0.12 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -80.1 | -26.8 | -177.8 | -62.5 | 93.3 | 0 | 0 | 0 | 112 | L1213 S1214 V1215 K1219 M1220 V1221 | L1213-H1217 HydrophobicContact CB-CB 4.27Å; L1213-H1217 HydrophobicContact CD1-CB 4.43Å; L1213-H1217 HydrophobicContact CD2-CB 3.77Å; L1213-H1217 HydrophobicContact CG-CB 4.4Å; S1214-H1217 PolarHBondContact O-N 2.9Å; S1214-H1217 PolarHBondContact OG-ND1 3.07Å; V1215-H1217 PolarHBondContact O-N 3.34Å; H1217-K1219 VanDerWaalsContact C-N 3.26Å; H1217-K1219 PolarHBondContact O-N 3.47Å; H1217-M1220 CarbonylContact O-C 3.15Å; H1217-M1220 WeakPolarHBondContact O-CA 3.47Å; H1217-M1220 VanDerWaalsContact O-CB 3.31Å; H1217-M1220 WeakPolarHBondContact O-CB 3.38Å; H1217-M1220 PolarHBondContact O-N 2.86Å; H1217-V1221 WeakPolarHBondContact O-CG2 3.49Å; H1217-V1221 PolarHBondContact O-N 3.5Å |
| 1218 | Q | 80.7 | Confident | 78.8 | Confident | 59 Ų | 59 | 64.4 Ų | 64.4 | 28% | 0.276 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.8 | -36.4 | 174 | -68.6 | -175.7 | 3 | 0 | 0 | 112.4 | Q1210 L1213 S1214 V1215 M1220 V1221 R1222 | Q1210-Q1218 HydrophobicContact CG-CG 4.01Å; Q1210-Q1218 PolarHBondContact O-NE2 3.09Å; Q1210-Q1218 VanDerWaalsContact O-NE2 3.12Å; L1213-Q1218 HydrophobicContact CB-CG 4.27Å; L1213-Q1218 WeakPolarHBondContact O-CG 3.43Å; L1213-Q1218 PolarHBondContact O-NE2 3.44Å; S1214-Q1218 PolarHBondContact O-N 3.31Å; S1214-Q1218 VanDerWaalsContact O-N 3.1Å; V1215-Q1218 PolarHBondContact O-N 2.97Å; Q1218-M1220 VanDerWaalsContact C-N 3.31Å; Q1218-M1220 PolarHBondContact O-N 2.93Å; Q1218-V1221 PolarHBondContact O-N 3.16Å; Q1218-R1222 WeakPolarHBondContact O-CB 3.46Å; Q1218-R1222 PolarHBondContact O-N 2.95Å |
| 1219 | K | 79.2 | Confident | 78.9 | Confident | 145 Ų | 145 | 63.6 Ų | 63.6 | 63% | 0.63 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.6 | -37.4 | 172.5 | -67.9 | -179 | -177.8 | 175.5 | 0 | 111.6 | H1217 R1222 N1223 | H1217-K1219 VanDerWaalsContact C-N 3.26Å; H1217-K1219 PolarHBondContact O-N 3.47Å; K1219-R1222 PolarHBondContact O-N 3.26Å; K1219-N1223 WeakPolarHBondContact O-CB 3.41Å; K1219-N1223 PolarHBondContact O-N 3.23Å; K1219-N1223 PolarHBondContact O-ND2 3.46Å |
| 1220 | M | 74.8 | Confident | 78.8 | Confident | 56 Ų | 56 | 71.8 Ų | 71.8 | 28% | 0.276 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.3 | -41.6 | 176.7 | -164.5 | -179.6 | -59.4 | 0 | 0 | 112 | K1194 L1197 H1217 Q1218 N1223 S1224 | K1194-M1220 HydrophobicContact CB-SD 4.44Å; L1197-M1220 HydrophobicContact CD2-CG 4.47Å; H1217-M1220 CarbonylContact O-C 3.15Å; H1217-M1220 WeakPolarHBondContact O-CA 3.47Å; H1217-M1220 VanDerWaalsContact O-CB 3.31Å; H1217-M1220 WeakPolarHBondContact O-CB 3.38Å; H1217-M1220 PolarHBondContact O-N 2.86Å; Q1218-M1220 VanDerWaalsContact C-N 3.31Å; Q1218-M1220 PolarHBondContact O-N 2.93Å; M1220-N1223 PolarHBondContact O-N 3.4Å; M1220-S1224 PolarHBondContact O-N 3.4Å; M1220-S1224 PolarHBondContact O-OG 3.5Å |
| 1221 | V | 78.1 | Confident | 79.1 | Confident | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.006 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.5 | -48.3 | 172 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | L1197 I1201 R1206 I1209 L1213 H1217 Q1218 N1223 S1224 V1225 | L1197-V1221 HydrophobicContact CD1-CG2 4.02Å; L1197-V1221 HydrophobicContact CD2-CB 4.39Å; L1197-V1221 HydrophobicContact CD2-CG2 3.66Å; L1197-V1221 HydrophobicContact CG-CG2 4.22Å; I1201-V1221 HydrophobicContact CD1-CG1 4.02Å; R1206-V1221 HydrophobicContact CG-CG1 4.45Å; I1209-V1221 HydrophobicContact CG2-CG2 4.19Å; L1213-V1221 HydrophobicContact CD1-CG2 3.43Å; L1213-V1221 VanDerWaalsContact CD1-CG2 3.43Å; H1217-V1221 WeakPolarHBondContact O-CG2 3.49Å; H1217-V1221 PolarHBondContact O-N 3.5Å; Q1218-V1221 PolarHBondContact O-N 3.16Å; V1221-N1223 PolarHBondContact O-N 2.94Å; V1221-S1224 WeakPolarHBondContact CA-OG 3.46Å; V1221-S1224 PolarHBondContact O-N 2.77Å; V1221-S1224 PolarHBondContact O-OG 3.33Å; V1221-V1225 HydrophobicContact CG1-CG2 4.33Å; V1221-V1225 WeakPolarHBondContact O-CB 3.28Å; V1221-V1225 VanDerWaalsContact O-CG2 3.27Å; V1221-V1225 WeakPolarHBondContact O-CG2 3.42Å; V1221-V1225 PolarHBondContact O-N 3.03Å |
| 1222 | R | 80.1 | Confident | 79.3 | Confident | 143 Ų | 143 | 77.3 Ų | 77.3 | 54% | 0.54 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.2 | -37.8 | 178.9 | -155.1 | -178.9 | -137.3 | 160.8 | 3.8 | 111.3 | Q1218 K1219 K1226 | Q1218-R1222 WeakPolarHBondContact O-CB 3.46Å; Q1218-R1222 PolarHBondContact O-N 2.95Å; K1219-R1222 PolarHBondContact O-N 3.26Å; R1222-K1226 WeakPolarHBondContact O-CB 3.39Å; R1222-K1226 VanDerWaalsContact O-CG 3.26Å; R1222-K1226 WeakPolarHBondContact O-CG 3.36Å; R1222-K1226 PolarHBondContact O-N 3.17Å; R1222-K1226 VanDerWaalsContact O-N 3.14Å |
| 1223 | N | 82.9 | Confident | 79.4 | Confident | 96 Ų | 96 | 82 Ų | 82 | 51% | 0.513 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -72.7 | -40.4 | 176.7 | -72.4 | -12.5 | 0 | 0 | 0 | 112.9 | K1219 M1220 V1221 K1226 L1227 | K1219-N1223 WeakPolarHBondContact O-CB 3.41Å; K1219-N1223 PolarHBondContact O-N 3.23Å; K1219-N1223 PolarHBondContact O-ND2 3.46Å; M1220-N1223 PolarHBondContact O-N 3.4Å; V1221-N1223 PolarHBondContact O-N 2.94Å; N1223-K1226 PolarHBondContact O-N 3.22Å; N1223-L1227 WeakPolarHBondContact O-CB 3.26Å; N1223-L1227 PolarHBondContact O-N 3.19Å |
| 1224 | S | 81.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 89.1 Ų | 89.1 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 176.7 | 55.8 | 0 | 0 | 0 | 0 | 111.2 | I1201 M1220 V1221 K1226 L1227 M1228 | I1201-S1224 WeakPolarHBondContact CD1-OG 3.38Å; M1220-S1224 PolarHBondContact O-N 3.4Å; M1220-S1224 PolarHBondContact O-OG 3.5Å; V1221-S1224 WeakPolarHBondContact CA-OG 3.46Å; V1221-S1224 PolarHBondContact O-N 2.77Å; V1221-S1224 PolarHBondContact O-OG 3.33Å; S1224-K1226 PolarHBondContact O-N 2.79Å; S1224-L1227 CarbonylContact O-C 3.38Å; S1224-L1227 PolarHBondContact O-N 2.94Å; S1224-M1228 WeakPolarHBondContact O-CG 3.09Å; S1224-M1228 PolarHBondContact O-N 3.21Å |
| 1225 | V | 82.1 | Confident | 78.9 | Confident | 42 Ų | 42 | 89.3 Ų | 89.3 | 26% | 0.255 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.3 | -47.1 | 174.7 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | I1201 R1206 V1221 L1227 M1228 A1229 | I1201-V1225 HydrophobicContact CD1-CG2 4.12Å; I1201-V1225 HydrophobicContact CG2-CG2 4.13Å; R1206-V1225 HydrophobicContact CG-CG2 4.33Å; V1221-V1225 HydrophobicContact CG1-CG2 4.33Å; V1221-V1225 WeakPolarHBondContact O-CB 3.28Å; V1221-V1225 VanDerWaalsContact O-CG2 3.27Å; V1221-V1225 WeakPolarHBondContact O-CG2 3.42Å; V1221-V1225 PolarHBondContact O-N 3.03Å; V1225-L1227 PolarHBondContact O-N 3.46Å; V1225-M1228 PolarHBondContact O-N 2.93Å; V1225-A1229 WeakPolarHBondContact O-CB 3.39Å; V1225-A1229 PolarHBondContact O-N 3.38Å |
| 1226 | K | 83.2 | Confident | 79 | Confident | 118 Ų | 118 | 89.7 Ų | 89.7 | 51% | 0.513 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.9 | -33.8 | 174.9 | -77.3 | 178.2 | -179.8 | -173.6 | 0 | 112.3 | R1222 N1223 S1224 R1230 | R1222-K1226 WeakPolarHBondContact O-CB 3.39Å; R1222-K1226 VanDerWaalsContact O-CG 3.26Å; R1222-K1226 WeakPolarHBondContact O-CG 3.36Å; R1222-K1226 PolarHBondContact O-N 3.17Å; R1222-K1226 VanDerWaalsContact O-N 3.14Å; N1223-K1226 PolarHBondContact O-N 3.22Å; S1224-K1226 PolarHBondContact O-N 2.79Å; K1226-R1230 WeakPolarHBondContact O-CB 3.49Å; K1226-R1230 WeakPolarHBondContact O-CG 3.37Å; K1226-R1230 PolarHBondContact O-N 3.22Å |
| 1227 | L | 81.2 | Confident | 79.2 | Confident | 63 Ų | 63 | 89.3 Ų | 89.3 | 33% | 0.33 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -80.4 | -37.4 | -178.2 | -147 | 131 | 0 | 0 | 0 | 112 | N1223 S1224 V1225 R1230 R1231 | N1223-L1227 WeakPolarHBondContact O-CB 3.26Å; N1223-L1227 PolarHBondContact O-N 3.19Å; S1224-L1227 CarbonylContact O-C 3.38Å; S1224-L1227 PolarHBondContact O-N 2.94Å; V1225-L1227 PolarHBondContact O-N 3.46Å; L1227-R1230 PolarHBondContact O-N 2.95Å; L1227-R1231 HydrophobicContact CD2-CG 4.47Å; L1227-R1231 WeakPolarHBondContact O-CG 3.12Å; L1227-R1231 PolarHBondContact O-N 3.39Å |
| 1228 | M | 79.3 | Confident | 78.7 | Confident | 51 Ų | 51 | 94 Ų | 94 | 25% | 0.251 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.1 | -51.9 | 168.9 | -75.4 | 179.8 | 162 | 0 | 0 | 110.9 | E1198 I1201 S1224 V1225 R1230 R1231 E1232 | E1198-M1228 HydrophobicContact CB-CE 3.27Å; E1198-M1228 HydrophobicContact CG-CE 3.48Å; E1198-M1228 VanDerWaalsContact CG-CE 3.48Å; E1198-M1228 HydrophobicContact CG-CG 4.43Å; E1198-M1228 WeakPolarHBondContact O-CE 3.37Å; I1201-M1228 HydrophobicContact CG2-SD 4.37Å; S1224-M1228 WeakPolarHBondContact O-CG 3.09Å; S1224-M1228 PolarHBondContact O-N 3.21Å; V1225-M1228 PolarHBondContact O-N 2.93Å; M1228-R1230 PolarHBondContact O-N 3.04Å; M1228-R1231 PolarHBondContact O-N 2.86Å; M1228-E1232 WeakPolarHBondContact O-CB 3.19Å; M1228-E1232 PolarHBondContact O-N 3.47Å |
| 1229 | A | 81.4 | Confident | 77.5 | Confident | 34 Ų | 34 | 95.9 Ų | 95.9 | 28% | 0.281 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.5 | -31.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1225 R1233 | V1225-A1229 WeakPolarHBondContact O-CB 3.39Å; V1225-A1229 PolarHBondContact O-N 3.38Å; A1229-R1233 WeakPolarHBondContact O-CB 3.42Å; A1229-R1233 WeakPolarHBondContact O-CG 3.35Å; A1229-R1233 PolarHBondContact O-N 2.96Å; A1229-R1233 VanDerWaalsContact O-N 3.15Å |
| 1230 | R | 78.5 | Confident | 76.4 | Confident | 173 Ų | 173 | 95.7 Ų | 95.7 | 65% | 0.653 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -73.5 | -39.4 | 173.2 | -76.8 | 172.4 | -177.8 | -174.1 | -0.3 | 113 | K1226 L1227 M1228 K1234 | K1226-R1230 WeakPolarHBondContact O-CB 3.49Å; K1226-R1230 WeakPolarHBondContact O-CG 3.37Å; K1226-R1230 PolarHBondContact O-N 3.22Å; L1227-R1230 PolarHBondContact O-N 2.95Å; M1228-R1230 PolarHBondContact O-N 3.04Å; R1230-K1234 WeakPolarHBondContact O-CB 3.16Å; R1230-K1234 PolarHBondContact O-N 2.68Å |
| 1231 | R | 85.4 | Confident | 75 | Confident | 125 Ų | 125 | 96.5 Ų | 96.5 | 47% | 0.472 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 176 | -77 | 176.7 | 178 | 159.3 | -5.4 | 110.6 | E1198 L1227 M1228 K1234 S1235 | E1198-R1231 IonicContact OE1-NH1 2.86Å; E1198-R1231 IonicContact OE2-NH1 3.8Å; E1198-R1231 PolarHBondContact OE2-NH1 3.11Å; L1227-R1231 HydrophobicContact CD2-CG 4.47Å; L1227-R1231 WeakPolarHBondContact O-CG 3.12Å; L1227-R1231 PolarHBondContact O-N 3.39Å; M1228-R1231 PolarHBondContact O-N 2.86Å; R1231-K1234 WeakPolarHBondContact O-CB 3.36Å; R1231-K1234 PolarHBondContact O-N 3.09Å; R1231-K1234 VanDerWaalsContact O-N 3.17Å; R1231-S1235 PolarHBondContact O-N 3.28Å |
| 1232 | E | 81.6 | Confident | 73.3 | Confident | 106 Ų | 106 | 101.8 Ų | 101.8 | 50% | 0.495 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 178 | -163.1 | -166.6 | 146.1 | 0 | 0 | 112 | M1228 K1234 S1235 K1236 | M1228-E1232 WeakPolarHBondContact O-CB 3.19Å; M1228-E1232 PolarHBondContact O-N 3.47Å; E1232-K1234 VanDerWaalsContact C-N 3.31Å; E1232-K1234 PolarHBondContact O-N 3.09Å; E1232-S1235 WeakPolarHBondContact O-CB 3.37Å; E1232-S1235 PolarHBondContact O-N 3.27Å; E1232-K1236 WeakPolarHBondContact O-CG 3.25Å; E1232-K1236 PolarHBondContact O-N 2.8Å; E1232-K1236 IonicContact OE1-NZ 3.94Å; E1232-K1236 PolarHBondContact OE1-NZ 3.01Å |
| 1233 | R | 81.1 | Confident | 71.3 | Confident | 180 Ų | 180 | 99.2 Ų | 99.2 | 68% | 0.679 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.8 | -38.7 | 172.3 | -73.9 | 173.9 | -167.2 | -178.5 | 1.4 | 112.5 | A1229 M1237 | A1229-R1233 WeakPolarHBondContact O-CB 3.42Å; A1229-R1233 WeakPolarHBondContact O-CG 3.35Å; A1229-R1233 PolarHBondContact O-N 2.96Å; A1229-R1233 VanDerWaalsContact O-N 3.15Å; R1233-M1237 WeakPolarHBondContact O-CG 3.32Å; R1233-M1237 PolarHBondContact O-N 3.22Å |
| 1234 | K | 77.9 | Confident | 68.8 | Low | 161 Ų | 161 | 103.4 Ų | 103.4 | 70% | 0.7 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.2 | -40.1 | 174.9 | -94.3 | -168.7 | 170.4 | -165.4 | 0 | 112.1 | R1230 R1231 E1232 M1237 L1238 | R1230-K1234 WeakPolarHBondContact O-CB 3.16Å; R1230-K1234 PolarHBondContact O-N 2.68Å; R1231-K1234 WeakPolarHBondContact O-CB 3.36Å; R1231-K1234 PolarHBondContact O-N 3.09Å; R1231-K1234 VanDerWaalsContact O-N 3.17Å; E1232-K1234 VanDerWaalsContact C-N 3.31Å; E1232-K1234 PolarHBondContact O-N 3.09Å; K1234-M1237 PolarHBondContact O-N 2.94Å; K1234-L1238 WeakPolarHBondContact O-CB 3.4Å; K1234-L1238 PolarHBondContact O-N 2.92Å |
| 1235 | S | 72.2 | Confident | 66.4 | Low | 52 Ų | 52 | 109.5 Ų | 109.5 | 36% | 0.364 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.5 | -48.8 | 175.6 | -148.1 | 0 | 0 | 0 | 0 | 110.4 | R1231 E1232 M1237 L1238 E1239 | R1231-S1235 PolarHBondContact O-N 3.28Å; E1232-S1235 WeakPolarHBondContact O-CB 3.37Å; E1232-S1235 PolarHBondContact O-N 3.27Å; S1235-M1237 PolarHBondContact O-N 3.39Å; S1235-L1238 WeakPolarHBondContact O-CA 3.45Å; S1235-L1238 WeakPolarHBondContact O-CB 3.36Å; S1235-L1238 PolarHBondContact O-N 3.39Å; S1235-E1239 PolarHBondContact O-N 3.24Å |
| 1236 | K | 76.1 | Confident | 63.8 | Low | 110 Ų | 110 | 113.5 Ų | 113.5 | 48% | 0.478 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -58.9 | -42.4 | 176.6 | -72.3 | 172.4 | 172.1 | 169 | 0 | 112.8 | E1232 L1238 E1239 E1240 | E1232-K1236 WeakPolarHBondContact O-CG 3.25Å; E1232-K1236 PolarHBondContact O-N 2.8Å; E1232-K1236 IonicContact OE1-NZ 3.94Å; E1232-K1236 PolarHBondContact OE1-NZ 3.01Å; K1236-L1238 VanDerWaalsContact C-N 3.32Å; K1236-L1238 PolarHBondContact O-N 3.38Å; K1236-E1239 PolarHBondContact O-N 3.15Å; K1236-E1240 PolarHBondContact O-N 2.96Å |
| 1237 | M | 71.9 | Confident | 61.2 | Low | 134 Ų | 134 | 114.7 Ų | 114.7 | 66% | 0.66 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.9 | -33.1 | 173.8 | -72.8 | -173.1 | 77.6 | 0 | 0 | 113.1 | R1233 K1234 S1235 S1241 | R1233-M1237 WeakPolarHBondContact O-CG 3.32Å; R1233-M1237 PolarHBondContact O-N 3.22Å; K1234-M1237 PolarHBondContact O-N 2.94Å; S1235-M1237 PolarHBondContact O-N 3.39Å; M1237-S1241 PolarHBondContact O-N 3.21Å |
| 1238 | L | 63.5 | Low | 58.7 | Low | 124 Ų | 124 | 117 Ų | 117 | 65% | 0.649 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.5 | -42.1 | 178 | -143.6 | 83.6 | 0 | 0 | 0 | 110.8 | K1234 S1235 K1236 S1241 T1242 | K1234-L1238 WeakPolarHBondContact O-CB 3.4Å; K1234-L1238 PolarHBondContact O-N 2.92Å; S1235-L1238 WeakPolarHBondContact O-CA 3.45Å; S1235-L1238 WeakPolarHBondContact O-CB 3.36Å; S1235-L1238 PolarHBondContact O-N 3.39Å; K1236-L1238 VanDerWaalsContact C-N 3.32Å; K1236-L1238 PolarHBondContact O-N 3.38Å; L1238-S1241 PolarHBondContact O-N 3.28Å; L1238-S1241 PolarHBondContact O-OG 2.91Å; L1238-T1242 PolarHBondContact O-N 2.87Å |
| 1239 | E | 55.1 | Low | 55.9 | Low | 99 Ų | 99 | 120.1 Ų | 120.1 | 46% | 0.463 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -62.9 | -40.1 | 173.8 | -76.9 | 171.7 | -149.7 | 0 | 0 | 112.5 | S1235 K1236 S1241 T1242 | S1235-E1239 PolarHBondContact O-N 3.24Å; K1236-E1239 PolarHBondContact O-N 3.15Å; E1239-S1241 VanDerWaalsContact C-N 3.27Å; E1239-S1241 PolarHBondContact O-N 3.28Å; E1239-T1242 PolarHBondContact O-OG1 3.22Å; E1239-T1242 VanDerWaalsContact O-OG1 3.07Å |
| 1240 | E | 57.8 | Low | 53.2 | Low | 141 Ų | 141 | 123.6 Ų | 123.6 | 66% | 0.659 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.4 | -33.6 | 175.3 | -78.2 | 179.6 | 176.9 | 0 | 0 | 112 | K1236 S1243 | K1236-E1240 PolarHBondContact O-N 2.96Å; E1240-S1243 PolarHBondContact O-OG 2.7Å |
| 1241 | S | 45.4 | Very low | 50.6 | Low | 73 Ų | 73 | 120.9 Ų | 120.9 | 51% | 0.51 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -74.4 | -27.1 | -176.2 | 70.4 | 0 | 0 | 0 | 0 | 114.7 | M1237 L1238 E1239 S1243 | M1237-S1241 PolarHBondContact O-N 3.21Å; L1238-S1241 PolarHBondContact O-N 3.28Å; L1238-S1241 PolarHBondContact O-OG 2.91Å; E1239-S1241 VanDerWaalsContact C-N 3.27Å; E1239-S1241 PolarHBondContact O-N 3.28Å; S1241-S1243 PolarHBondContact O-N 2.68Å |
| 1242 | T | 40.9 | Very low | 47.6 | Very low | 112 Ų | 112 | 122.5 Ų | 122.5 | 69% | 0.687 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -9 | 179.2 | 49.9 | 0 | 0 | 0 | 0 | 113.4 | L1238 E1239 | L1238-T1242 PolarHBondContact O-N 2.87Å; E1239-T1242 PolarHBondContact O-OG1 3.22Å; E1239-T1242 VanDerWaalsContact O-OG1 3.07Å |
| 1243 | S | 38.7 | Very low | 44.9 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -5.7 | -178.8 | 69.4 | 0 | 0 | 0 | 0 | 115.3 | E1240 S1241 | E1240-S1243 PolarHBondContact O-OG 2.7Å; S1241-S1243 PolarHBondContact O-N 2.68Å |
| 1244 | K | 30.6 | Very low | 42.2 | Very low | 183 Ų | 183 | 124.8 Ų | 124.8 | 80% | 0.796 | 71% | 0.708 | S | S | * | * | trans | -119.6 | 73.9 | -175.5 | -69.8 | -176.8 | -179.8 | 174.9 | 0 | 113.2 | ||||
| 1245 | T | 30.9 | Very low | 39.8 | Very low | 128 Ų | 128 | 120.6 Ų | 120.6 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | trans | -132.5 | 66.3 | 163 | 53.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1246 | T | 27.4 | Very low | 37.5 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -154.3 | 122.9 | 149.5 | 43.1 | 0 | 0 | 0 | 0 | 107.5 | S1248 | T1246-S1248 PolarHBondContact O-N 3.45Š|
| 1247 | P | 28.6 | Very low | 35.1 | Very low | 142 Ų | 142 | 124.4 Ų | 124.4 | 92% | 0.922 | 75% | 0.746 | S | S | * | * | trans | -87.6 | 109.6 | -175.5 | 32.3 | -28.4 | 0 | 0 | 0 | 109.9 | ||||
| 1248 | S | 27.8 | Very low | 32.8 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | -112.2 | 115.8 | 159.9 | 44 | 0 | 0 | 0 | 0 | 108.4 | T1246 | T1246-S1248 PolarHBondContact O-N 3.45Š| ||
| 1249 | S | 22.3 | Very low | 31 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -67.1 | 122.1 | 171 | 40.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1250 | S | 24.1 | Very low | 29.5 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | 174.5 | 142.5 | 140.7 | 40.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1251 | S | 24.5 | Very low | 28.1 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | 78.4 | 76.8 | 164.1 | 72.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1252 | L | 22.1 | Very low | 27.1 | Very low | 158 Ų | 158 | 140 Ų | 140 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | -86.5 | 150 | 137.4 | -73.9 | 166.4 | 0 | 0 | 0 | 108.1 | ||||
| 1253 | F | 25.3 | Very low | 26.3 | Very low | 209 Ų | 209 | 141.9 Ų | 141.9 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | trans | 93.4 | 86.7 | -177.6 | -58.2 | -74.2 | 0 | 0 | 0 | 116.7 | ||||
| 1254 | S | 24.2 | Very low | 25.8 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 88% | 0.881 | 82% | 0.815 | S | S | * | * | trans | -139.1 | 88.4 | 146.4 | 171.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 1255 | G | 25.8 | Very low | 25.5 | Very low | 73 Ų | 73 | 142.5 Ų | 142.5 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | trans | -91.8 | 119.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | T1257 | G1255-T1257 PolarHBondContact O-N 2.93Š| ||
| 1256 | S | 23.8 | Very low | 25.4 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | trans | -60.6 | 121.9 | 176.2 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1257 | T | 26.7 | Very low | 25.3 | Very low | 126 Ų | 126 | 143 Ų | 143 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | trans | -144.2 | 109.6 | 154.9 | -54 | 0 | 0 | 0 | 0 | 110.1 | G1255 R1259 | G1255-T1257 PolarHBondContact O-N 2.93Å; T1257-R1259 PolarHBondContact O-N 2.96Å | ||
| 1258 | R | 22.8 | Very low | 25.2 | Very low | 232 Ų | 232 | 145 Ų | 145 | 88% | 0.875 | 82% | 0.818 | S | S | * | * | trans | -59.2 | 115.3 | 169.1 | 169.7 | -175 | -83.5 | 179.4 | -8.6 | 110.3 | ||||
| 1259 | R | 26 | Very low | 25.2 | Very low | 230 Ų | 230 | 145.5 Ų | 145.5 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | -135.2 | 128.9 | 156.3 | -79.5 | -171.1 | 178.4 | 173.6 | -0.1 | 109.2 | T1257 | T1257-R1259 PolarHBondContact O-N 2.96Š| ||
| 1260 | Q | 23 | Very low | 25.3 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -71.4 | 135.9 | 172 | -60.5 | -170.6 | -19.2 | 0 | 0 | 109 | ||||
| 1261 | I | 29.1 | Very low | 25.4 | Very low | 164 Ų | 164 | 149.9 Ų | 149.9 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | trans | -157.1 | 140.3 | 147 | -85.7 | 130.4 | 0 | 0 | 0 | 106.7 | ||||
| 1262 | S | 23.8 | Very low | 25.3 | Very low | 91 Ų | 91 | 155.7 Ų | 155.7 | 64% | 0.636 | 82% | 0.824 | S | S | * | * | trans | -70.4 | 161.4 | -176.5 | 47.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1263 | D | 24.1 | Very low | 25.4 | Very low | 152 Ų | 152 | 153.5 Ų | 153.5 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | trans | 57 | 110.7 | 149.3 | -58.5 | -19 | 0 | 0 | 0 | 120.1 | ||||
| 1264 | S | 29.5 | Very low | 25.4 | Very low | 119 Ų | 119 | 151.2 Ų | 151.2 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | 168 | 135.2 | 121.6 | 54.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 1265 | D | 23.8 | Very low | 25.4 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -53.6 | 132.4 | -179.8 | -59.1 | -62.9 | 0 | 0 | 0 | 114.7 | ||||
| 1266 | S | 28.7 | Very low | 25.4 | Very low | 114 Ų | 114 | 150.4 Ų | 150.4 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -166.4 | 118.5 | 139.8 | 63 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1267 | D | 24.6 | Very low | 25.4 | Very low | 150 Ų | 150 | 150.8 Ų | 150.8 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -44 | 133 | 166 | -68.4 | -58.1 | 0 | 0 | 0 | 112.9 | ||||
| 1268 | H | 27.4 | Very low | 25.2 | Very low | 185 Ų | 185 | 151.6 Ų | 151.6 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | 175.4 | 94.7 | 132.1 | -92.5 | -57.4 | 0 | 0 | 0 | 109.4 | P1270 | H1268-P1270 VanDerWaalsContact O-CD 3.32Å; H1268-P1270 WeakPolarHBondContact O-CD 3.36Å | ||
| 1269 | T | 26.8 | Very low | 25.3 | Very low | 122 Ų | 122 | 150 Ų | 150 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -70.4 | 120 | 162 | 53.2 | 0 | 0 | 0 | 0 | 109.5 | K1271 | T1269-K1271 PolarHBondContact O-N 3.36Å; T1269-K1271 VanDerWaalsContact O-N 3.16Å | ||
| 1270 | P | 25.7 | Very low | 25.1 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -81.8 | 95.6 | 169 | 32.1 | -27.3 | 0 | 0 | 0 | 107.7 | H1268 R1272 | H1268-P1270 VanDerWaalsContact O-CD 3.32Å; H1268-P1270 WeakPolarHBondContact O-CD 3.36Å; P1270-R1272 PolarHBondContact O-N 3.04Å | ||
| 1271 | K | 25.3 | Very low | 25.1 | Very low | 194 Ų | 194 | 141.8 Ų | 141.8 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -67.2 | 106.3 | 165.3 | -84.9 | 179 | 178.8 | 171 | 0 | 108 | T1269 S1273 | T1269-K1271 PolarHBondContact O-N 3.36Å; T1269-K1271 VanDerWaalsContact O-N 3.16Å; K1271-S1273 PolarHBondContact O-N 3.36Å; K1271-S1273 VanDerWaalsContact O-N 3.07Å | ||
| 1272 | R | 23.5 | Very low | 24.7 | Very low | 238 Ų | 238 | 144.4 Ų | 144.4 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | trans | -42.3 | 112.6 | 159.9 | -81.3 | 176.7 | 175.7 | 164.9 | -1.6 | 109.2 | P1270 I1274 | P1270-R1272 PolarHBondContact O-N 3.04Å; R1272-I1274 PolarHBondContact O-N 3.35Å; R1272-I1274 VanDerWaalsContact O-N 3.09Å | ||
| 1273 | S | 24.5 | Very low | 24.7 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -55.6 | 107.4 | 165.2 | 46.7 | 0 | 0 | 0 | 0 | 108.9 | K1271 S1275 | K1271-S1273 PolarHBondContact O-N 3.36Å; K1271-S1273 VanDerWaalsContact O-N 3.07Å; S1273-S1275 PolarHBondContact O-N 3.45Å | ||
| 1274 | I | 24.6 | Very low | 24.6 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | -65.5 | 96.7 | 155.6 | -65.1 | 167.8 | 0 | 0 | 0 | 104.2 | R1272 S1276 | R1272-I1274 PolarHBondContact O-N 3.35Å; R1272-I1274 VanDerWaalsContact O-N 3.09Å; I1274-S1276 PolarHBondContact O-N 2.92Å | ||
| 1275 | S | 24.1 | Very low | 24.4 | Very low | 74 Ų | 74 | 140.4 Ų | 140.4 | 52% | 0.517 | 75% | 0.747 | S | S | . | * | trans | -56.8 | 97.7 | 160.5 | 179.2 | 0 | 0 | 0 | 0 | 106.6 | S1273 D1277 | S1273-S1275 PolarHBondContact O-N 3.45Å; S1275-D1277 PolarHBondContact O-N 3.26Å; S1275-D1277 PolarHBondContact OG-N 3.46Å; S1275-D1277 PolarHBondContact OG-OD1 3.01Å; S1275-D1277 PolarHBondContact OG-OD2 3.05Å | ||
| 1276 | S | 25.5 | Very low | 24.2 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | trans | -72.9 | 70.4 | 151.8 | 58.6 | 0 | 0 | 0 | 0 | 106.3 | I1274 I1278 | I1274-S1276 PolarHBondContact O-N 2.92Å; S1276-I1278 VanDerWaalsContact C-N 3.31Å; S1276-I1278 PolarHBondContact O-N 3.42Å | ||
| 1277 | D | 24.1 | Very low | 24.1 | Very low | 123 Ų | 123 | 139 Ų | 139 | 66% | 0.658 | 73% | 0.733 | S | S | * | * | trans | -57.4 | 109.2 | 158.1 | -84 | -47.9 | 0 | 0 | 0 | 105.1 | S1275 K1279 | S1275-D1277 PolarHBondContact O-N 3.26Å; S1275-D1277 PolarHBondContact OG-N 3.46Å; S1275-D1277 PolarHBondContact OG-OD1 3.01Å; S1275-D1277 PolarHBondContact OG-OD2 3.05Å; D1277-K1279 PolarHBondContact O-N 3.41Å | ||
| 1278 | I | 23 | Very low | 24.1 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | 23.8 | 101 | 128 | -61.7 | 166.1 | 0 | 0 | 0 | 108.7 | S1276 S1280 | S1276-I1278 VanDerWaalsContact C-N 3.31Å; S1276-I1278 PolarHBondContact O-N 3.42Å; I1278-S1280 PolarHBondContact O-N 3.27Å | |||
| 1279 | K | 24.5 | Very low | 23.9 | Very low | 199 Ų | 199 | 136.2 Ų | 136.2 | 87% | 0.865 | 72% | 0.723 | S | S | * | * | trans | -47 | 93.7 | 148.4 | -80.4 | 178.2 | 177.1 | 178 | 0 | 104.5 | D1277 I1281 | D1277-K1279 PolarHBondContact O-N 3.41Å; K1279-I1281 PolarHBondContact O-N 3.06Å | ||
| 1280 | S | 22.2 | Very low | 23.8 | Very low | 93 Ų | 93 | 135.5 Ų | 135.5 | 65% | 0.65 | 72% | 0.723 | S | S | * | * | trans | -54.3 | 98.8 | 157 | 178.1 | 0 | 0 | 0 | 0 | 100.8 | I1278 R1282 | I1278-S1280 PolarHBondContact O-N 3.27Å; S1280-R1282 PolarHBondContact O-N 2.95Å; S1280-R1282 PolarHBondContact OG-N 3.41Å | ||
| 1281 | I | 22.7 | Very low | 23.9 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | trans | -58.1 | 74.1 | 145.1 | -58.3 | 169.1 | 0 | 0 | 0 | 102.3 | K1279 S1283 | K1279-I1281 PolarHBondContact O-N 3.06Å; I1281-S1283 PolarHBondContact O-N 3.4Å | ||
| 1282 | R | 21 | Very low | 23.9 | Very low | 219 Ų | 219 | 130.8 Ų | 130.8 | 83% | 0.826 | 71% | 0.707 | S | S | * | * | trans | -63.8 | 74.1 | 134 | -160.5 | 173.7 | -152.5 | 173.9 | 6.4 | 102.3 | S1280 S1284 | S1280-R1282 PolarHBondContact O-N 2.95Å; S1280-R1282 PolarHBondContact OG-N 3.41Å; R1282-S1284 PolarHBondContact O-N 3.34Å | ||
| 1283 | S | 23.7 | Very low | 24.1 | Very low | 69 Ų | 69 | 124.5 Ų | 124.5 | 48% | 0.483 | 70% | 0.699 | S | S | . | * | trans | -36.6 | 121.9 | 140.8 | 42.4 | 0 | 0 | 0 | 0 | 103 | I1281 I1285 | I1281-S1283 PolarHBondContact O-N 3.4Å; S1283-I1285 PolarHBondContact O-N 3.06Å | ||
| 1284 | S | 22.3 | Very low | 24.3 | Very low | 72 Ų | 72 | 122.6 Ų | 122.6 | 50% | 0.503 | 68% | 0.68 | S | S | . | * | trans | -33 | 91.2 | 145.6 | 174.1 | 0 | 0 | 0 | 0 | 106.5 | R1282 H1286 | R1282-S1284 PolarHBondContact O-N 3.34Å; S1284-H1286 PolarHBondContact O-N 3.12Å; S1284-H1286 PolarHBondContact OG-CD2 2.62Å; S1284-H1286 PolarHBondContact OG-CE1 2.99Å; S1284-H1286 VanDerWaalsContact OG-CG 3.29Å; S1284-H1286 PolarHBondContact OG-N 2.87Å; S1284-H1286 PolarHBondContact OG-ND1 3.12Å; S1284-H1286 PolarHBondContact OG-NE2 3.15Å; S1284-H1286 VanDerWaalsContact OG-NE2 3.07Å | ||
| 1285 | I | 23.3 | Very low | 24.3 | Very low | 137 Ų | 137 | 120.6 Ų | 120.6 | 70% | 0.703 | 68% | 0.677 | S | S | * | * | trans | -61 | 84.5 | 142.3 | -61.3 | 173.5 | 0 | 0 | 0 | 99.1 | S1283 S1287 | S1283-I1285 PolarHBondContact O-N 3.06Å; I1285-S1287 PolarHBondContact O-N 3.16Å | ||
| 1286 | H | 21.6 | Very low | 24.5 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 71% | 0.713 | 70% | 0.695 | S | S | * | * | trans | -48.5 | 85.6 | 136.3 | -71.3 | -65.8 | 0 | 0 | 0 | 102.9 | S1284 K1288 | S1284-H1286 PolarHBondContact O-N 3.12Å; S1284-H1286 PolarHBondContact OG-CD2 2.62Å; S1284-H1286 PolarHBondContact OG-CE1 2.99Å; S1284-H1286 VanDerWaalsContact OG-CG 3.29Å; S1284-H1286 PolarHBondContact OG-N 2.87Å; S1284-H1286 PolarHBondContact OG-ND1 3.12Å; S1284-H1286 PolarHBondContact OG-NE2 3.15Å; S1284-H1286 VanDerWaalsContact OG-NE2 3.07Å; H1286-K1288 PolarHBondContact O-N 3.19Å | ||
| 1287 | S | 26.4 | Very low | 24.5 | Very low | 96 Ų | 96 | 128.1 Ų | 128.1 | 67% | 0.671 | 68% | 0.683 | S | S | * | * | trans | -54.7 | 88.3 | 142.6 | 52.1 | 0 | 0 | 0 | 0 | 101.3 | I1285 | I1285-S1287 PolarHBondContact O-N 3.16Š| ||
| 1288 | K | 23.2 | Very low | 24.7 | Very low | 165 Ų | 165 | 128.1 Ų | 128.1 | 72% | 0.717 | 69% | 0.688 | S | S | * | * | trans | -41.8 | 130.4 | 160 | -77.4 | 179.2 | 177.5 | 174.3 | 0 | 103.7 | H1286 S1290 | H1286-K1288 PolarHBondContact O-N 3.19Å; K1288-S1290 PolarHBondContact O-N 3.33Å | ||
| 1289 | P | 23 | Very low | 24.6 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | trans | -48.6 | 121.4 | -168.3 | 22.4 | -32.8 | 0 | 0 | 0 | 106.3 | S1291 | P1289-S1291 PolarHBondContact O-N 3.09Š| ||
| 1290 | S | 26.5 | Very low | 24.7 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 75% | 0.748 | 68% | 0.678 | S | S | * | * | trans | -57.1 | 84.4 | 160.9 | 48.4 | 0 | 0 | 0 | 0 | 105.2 | K1288 L1292 | K1288-S1290 PolarHBondContact O-N 3.33Å; S1290-L1292 PolarHBondContact O-N 2.99Å | ||
| 1291 | S | 26.8 | Very low | 25.1 | Very low | 96 Ų | 96 | 126.4 Ų | 126.4 | 67% | 0.671 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -60 | 124.3 | 172.2 | 49 | 0 | 0 | 0 | 0 | 105.2 | P1289 | P1289-S1291 PolarHBondContact O-N 3.09Š|
| 1292 | L | 26.3 | Very low | 25.3 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 64% | 0.639 | 68% | 0.675 | S | S | * | * | trans | 64.2 | 77.1 | -174.6 | -59 | 106.1 | 0 | 0 | 0 | 113.6 | S1290 L1294 | S1290-L1292 PolarHBondContact O-N 2.99Å; L1292-L1294 HydrophobicContact CB-CD1 4.27Å; L1292-L1294 PolarHBondContact O-N 3.21Å | ||
| 1293 | S | 26.9 | Very low | 25.7 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 74% | 0.741 | 67% | 0.671 | S | S | * | * | trans | -60.9 | 93.2 | 141.1 | 61.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1294 | L | 27.5 | Very low | 26.2 | Very low | 70 Ų | 70 | 125.1 Ų | 125.1 | 37% | 0.366 | 67% | 0.67 | S | S | . | * | trans | -54.4 | 131.9 | 167.5 | -76.1 | 95.8 | 0 | 0 | 0 | 106.8 | R572 L1292 K1296 | R572-L1294 VanDerWaalsContact NH2-CD2 3.3Å; L1292-L1294 HydrophobicContact CB-CD1 4.27Å; L1292-L1294 PolarHBondContact O-N 3.21Å; L1294-K1296 PolarHBondContact O-N 2.96Å; L1294-K1296 VanDerWaalsContact O-N 3.14Å | ||
| 1295 | P | 26.1 | Very low | 26.6 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 77% | 0.773 | 69% | 0.687 | S | S | * | * | trans | -55.2 | 126.6 | 170.5 | 22.4 | -30.4 | 0 | 0 | 0 | 107.8 | R1297 | P1295-R1297 PolarHBondContact O-N 3.07Š| ||
| 1296 | K | 27.7 | Very low | 26.9 | Very low | 204 Ų | 204 | 131 Ų | 131 | 89% | 0.887 | 69% | 0.691 | S | S | * | * | trans | -42.1 | 124.1 | 179.1 | -78.6 | -177.3 | 174.3 | -175.7 | 0 | 109.8 | L1294 V1298 | L1294-K1296 PolarHBondContact O-N 2.96Å; L1294-K1296 VanDerWaalsContact O-N 3.14Å; K1296-V1298 PolarHBondContact O-N 3.37Å | ||
| 1297 | R | 25.2 | Very low | 27.3 | Very low | 138 Ų | 138 | 130 Ų | 130 | 52% | 0.521 | 69% | 0.69 | S | S | . | * | trans | -42.9 | 127.6 | 173.2 | -130.9 | 177.1 | -160.4 | -153.2 | 3.2 | 108.2 | R486 P1295 H1299 | R486-R1297 VanDerWaalsContact NH2-NH2 3.16Å; P1295-R1297 PolarHBondContact O-N 3.07Å; R1297-H1299 VanDerWaalsContact C-N 3.3Å; R1297-H1299 PolarHBondContact O-N 3.48Å | ||
| 1298 | V | 28 | Very low | 27.3 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 75% | 0.745 | 69% | 0.694 | S | S | * | * | trans | -64 | 99 | 169.7 | 176.2 | 0 | 0 | 0 | 0 | 105.7 | K1296 I1300 | K1296-V1298 PolarHBondContact O-N 3.37Å; V1298-I1300 PolarHBondContact O-N 3.32Å | ||
| 1299 | H | 22.6 | Very low | 27.5 | Very low | 130 Ų | 130 | 128 Ų | 128 | 60% | 0.602 | 70% | 0.697 | S | S | * | * | trans | -52.7 | 108.8 | 174.3 | -91 | -66 | 0 | 0 | 0 | 109.1 | E517 R1297 T1301 | E517-H1299 IonicContact OE1-CE1 2.61Å; R1297-H1299 VanDerWaalsContact C-N 3.3Å; R1297-H1299 PolarHBondContact O-N 3.48Å; H1299-T1301 PolarHBondContact O-N 2.82Å | ||
| 1300 | I | 26.5 | Very low | 27.8 | Very low | 153 Ų | 153 | 127.9 Ų | 127.9 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | trans | -75.6 | 110.4 | 159.2 | -62 | 161.1 | 0 | 0 | 0 | 103.9 | V1298 R1302 | V1298-I1300 PolarHBondContact O-N 3.32Å; I1300-R1302 PolarHBondContact O-N 3.42Å | ||
| 1301 | T | 29.2 | Very low | 27.8 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 71% | 0.712 | 70% | 0.696 | S | S | * | * | trans | -59.5 | 127.1 | 176.9 | 41.5 | 0 | 0 | 0 | 0 | 108.9 | H1299 M1303 | H1299-T1301 PolarHBondContact O-N 2.82Å; T1301-M1303 PolarHBondContact O-N 3.26Å | ||
| 1302 | R | 27.7 | Very low | 28 | Very low | 170 Ų | 170 | 128 Ų | 128 | 64% | 0.642 | 70% | 0.7 | S | S | * | * | trans | -36.6 | 124.9 | -175.1 | -67.7 | 169.9 | 172.8 | 152.3 | -3.3 | 113 | I1300 D1304 | I1300-R1302 PolarHBondContact O-N 3.42Å; R1302-D1304 PolarHBondContact O-N 3.31Å | ||
| 1303 | M | 29.1 | Very low | 28 | Very low | 149 Ų | 149 | 128.5 Ų | 128.5 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -68.2 | -16.6 | 173.4 | -100.7 | -173.9 | -178.8 | 0 | 0 | 113.3 | T1301 E1305 L1306 | T1301-M1303 PolarHBondContact O-N 3.26Å; M1303-E1305 PolarHBondContact O-N 2.92Å; M1303-E1305 VanDerWaalsContact O-N 3.12Å; M1303-L1306 WeakPolarHBondContact O-CB 3.24Å; M1303-L1306 PolarHBondContact O-N 2.92Å |
| 1304 | D | 34.7 | Very low | 28.3 | Very low | 87 Ų | 87 | 130.4 Ų | 130.4 | 47% | 0.465 | 71% | 0.705 | S | S | . | * | G | 310 helix | trans | -69.7 | -13 | -171 | -54.1 | -28 | 0 | 0 | 0 | 114.1 | K494 R1302 L1306 | K494-D1304 IonicContact NZ-OD2 3.2Å; K494-D1304 PolarHBondContact NZ-OD2 2.86Å; R1302-D1304 PolarHBondContact O-N 3.31Å; D1304-L1306 PolarHBondContact O-N 2.71Å |
| 1305 | E | 29.8 | Very low | 28.2 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 85% | 0.85 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -78.3 | -8.5 | 171.6 | -135.2 | 173 | -160 | 0 | 0 | 112.5 | M1303 | M1303-E1305 PolarHBondContact O-N 2.92Å; M1303-E1305 VanDerWaalsContact O-N 3.12Å |
| 1306 | L | 30 | Very low | 28.2 | Very low | 152 Ų | 152 | 138 Ų | 138 | 80% | 0.796 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -98.2 | -8.4 | 174.2 | -68.9 | 176.3 | 0 | 0 | 0 | 113.9 | M1303 D1304 | M1303-L1306 WeakPolarHBondContact O-CB 3.24Å; M1303-L1306 PolarHBondContact O-N 2.92Å; D1304-L1306 PolarHBondContact O-N 2.71Å |
| 1307 | L | 29.7 | Very low | 28 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 70% | 0.696 | 71% | 0.712 | S | S | * | * | trans | -123.9 | 17.2 | -178.4 | -66.4 | 178.1 | 0 | 0 | 0 | 114 | T1309 | L1307-T1309 PolarHBondContact O-N 3.4Š| ||
| 1308 | A | 25.8 | Very low | 27.8 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | trans | -70.1 | 79.9 | 165 | 0 | 0 | 0 | 0 | 0 | 109.5 | S1310 | A1308-S1310 PolarHBondContact O-N 3.14Š| ||
| 1309 | T | 29 | Very low | 27.5 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | trans | -68.2 | 115.4 | 164.8 | 50.4 | 0 | 0 | 0 | 0 | 107.8 | L1307 S1311 | L1307-T1309 PolarHBondContact O-N 3.4Å; T1309-S1311 PolarHBondContact O-N 2.96Å | ||
| 1310 | S | 28.4 | Very low | 27.5 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | -48.2 | 117.5 | 168.9 | -175.5 | 0 | 0 | 0 | 0 | 110 | A1308 S1312 | A1308-S1310 PolarHBondContact O-N 3.14Å; S1310-S1312 PolarHBondContact O-N 3.42Å | ||
| 1311 | S | 27 | Very low | 27.4 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | trans | -59.5 | 123.8 | 158.3 | 143.7 | 0 | 0 | 0 | 0 | 107.8 | T1309 | T1309-S1311 PolarHBondContact O-N 2.96Š| ||
| 1312 | S | 31.2 | Very low | 27.1 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | trans | -135.8 | 111.5 | 156.4 | 63.6 | 0 | 0 | 0 | 0 | 105.8 | S1310 | S1310-S1312 PolarHBondContact O-N 3.42Š| ||
| 1313 | D | 26.8 | Very low | 26.9 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | -61.2 | 149.7 | 171.4 | -59.1 | -56.1 | 0 | 0 | 0 | 111.1 | ||||
| 1314 | D | 31.3 | Very low | 26.6 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | trans | 149.5 | 107.1 | 136.4 | -73.9 | -19.2 | 0 | 0 | 0 | 113.1 | ||||
| 1315 | D | 27.1 | Very low | 26.1 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | 69.6 | 131.1 | 127.8 | -80.3 | -3.2 | 0 | 0 | 0 | 124.5 | |||||
| 1316 | R | 25.5 | Very low | 26 | Very low | 213 Ų | 213 | 133 Ų | 133 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 92.5 | 90.5 | 144.9 | -71.2 | 164.4 | -174.6 | -100.7 | 0.4 | 119.7 | ||||
| 1317 | S | 23.7 | Very low | 25.5 | Very low | 93 Ų | 93 | 136.9 Ų | 136.9 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | 49.7 | 106.5 | 112 | 68.2 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 1318 | S | 21 | Very low | 25.3 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | 66.4 | 136.5 | 119.9 | 72.4 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 1319 | I | 22.2 | Very low | 25.4 | Very low | 153 Ų | 153 | 140 Ų | 140 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | 117.8 | 98.6 | 148.3 | -59.9 | 159.5 | 0 | 0 | 0 | 114 | ||||
| 1320 | H | 22.1 | Very low | 25 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -8.7 | 135 | 139.1 | -75.1 | -69.5 | 0 | 0 | 0 | 115.6 | ||||
| 1321 | S | 24.1 | Very low | 24.7 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | 173.4 | 143.9 | 106.9 | 46.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1322 | H | 22.6 | Very low | 24.4 | Very low | 181 Ų | 181 | 148 Ų | 148 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -55.8 | 132.7 | 174.4 | -61.3 | -90.7 | 0 | 0 | 0 | 114.3 | ||||
| 1323 | A | 24.7 | Very low | 24 | Very low | 94 Ų | 94 | 148.1 Ų | 148.1 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | -143.4 | 97.7 | 150.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1324 | K | 22.4 | Very low | 23.7 | Very low | 199 Ų | 199 | 147.8 Ų | 147.8 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | 61.8 | 107.9 | 95.1 | -79.7 | -175.8 | 177.6 | 175.2 | 0 | 114.3 | |||||
| 1325 | S | 24.2 | Very low | 23.2 | Very low | 98 Ų | 98 | 147 Ų | 147 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | 57.1 | 117.6 | 126 | -171 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 1326 | N | 26.8 | Very low | 22.9 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | 172.6 | 104.9 | 123.6 | -82.3 | -18.1 | 0 | 0 | 0 | 107.6 | |||||
| 1327 | R | 21 | Very low | 22.8 | Very low | 235 Ų | 235 | 138.4 Ų | 138.4 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | 43.4 | 92.8 | 87.2 | -167.1 | 176.1 | -174 | 173.5 | 1.5 | 112.8 | |||||
| 1328 | S | 25.4 | Very low | 22.9 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | 165.3 | 155.7 | 124 | 50.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1329 | Q | 26.3 | Very low | 23.1 | Very low | 182 Ų | 182 | 141.4 Ų | 141.4 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | 92.3 | 82.6 | 166.3 | -52.4 | -165.2 | 5.1 | 0 | 0 | 117.6 | R1331 | Q1329-R1331 PolarHBondContact O-N 3.41Š| ||
| 1330 | T | 20.7 | Very low | 23.4 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -40.3 | 120.6 | 139.4 | 49.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1331 | R | 21.9 | Very low | 23.6 | Very low | 239 Ų | 239 | 143.1 Ų | 143.1 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -152.5 | 104.8 | 141.6 | -112.9 | 177.4 | 179.2 | -172.8 | -0.6 | 109.6 | Q1329 S1333 | Q1329-R1331 PolarHBondContact O-N 3.41Å; R1331-S1333 PolarHBondContact O-N 2.95Å | ||
| 1332 | S | 21.7 | Very low | 23.9 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 88% | 0.881 | 81% | 0.811 | S | S | * | * | trans | -59.3 | 118.2 | 162.5 | 37.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1333 | S | 23 | Very low | 24.3 | Very low | 113 Ų | 113 | 143 Ų | 143 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -141.2 | 104.6 | 148.9 | 56.2 | 0 | 0 | 0 | 0 | 108 | R1331 | R1331-S1333 PolarHBondContact O-N 2.95Š| ||
| 1334 | S | 20.2 | Very low | 24.9 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -67.5 | 118.9 | 165.7 | 48.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1335 | C | 20 | Very low | 25.5 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 88% | 0.878 | 76% | 0.763 | S | S | * | * | trans | -135 | 134.4 | 159.8 | -167.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 1336 | G | 22 | Very low | 26.3 | Very low | 76 Ų | 76 | 134.7 Ų | 134.7 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | trans | -64 | 135.9 | -158.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1337 | S | 23.6 | Very low | 27.1 | Very low | 92 Ų | 92 | 132.8 Ų | 132.8 | 64% | 0.643 | 75% | 0.746 | S | S | * | * | trans | -74.5 | 115 | 157.2 | 56.9 | 0 | 0 | 0 | 0 | 110 | L1339 | S1337-L1339 PolarHBondContact O-N 3.1Š| ||
| 1338 | S | 24.8 | Very low | 28 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -80.8 | 107.2 | 166.2 | -177 | 0 | 0 | 0 | 0 | 109.1 | K1340 | S1338-K1340 PolarHBondContact O-N 2.97Š| ||
| 1339 | L | 25.2 | Very low | 28.7 | Very low | 138 Ų | 138 | 126 Ų | 126 | 72% | 0.723 | 72% | 0.715 | S | S | * | * | trans | -67.8 | 122.5 | 172.1 | -97.6 | 77.3 | 0 | 0 | 0 | 109.6 | S1337 | S1337-L1339 PolarHBondContact O-N 3.1Š| ||
| 1340 | K | 29.4 | Very low | 29.5 | Very low | 194 Ų | 194 | 122.2 Ų | 122.2 | 84% | 0.843 | 70% | 0.697 | S | S | * | * | trans | -78 | 118.3 | 170.2 | -72.1 | 175.5 | 178.3 | 172.7 | 0 | 109.1 | S1338 T1342 | S1338-K1340 PolarHBondContact O-N 2.97Å; K1340-T1342 PolarHBondContact O-N 2.97Å; K1340-T1342 VanDerWaalsContact O-N 3.08Å | ||
| 1341 | N | 26.4 | Very low | 30.5 | Very low | 161 Ų | 161 | 120.3 Ų | 120.3 | 86% | 0.861 | 68% | 0.682 | S | S | * | * | trans | -58.6 | 107 | 175.4 | -74.1 | -19.1 | 0 | 0 | 0 | 111.2 | ||||
| 1342 | T | 29.8 | Very low | 31.4 | Very low | 125 Ų | 125 | 111.7 Ų | 111.7 | 77% | 0.767 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 133.8 | 164.9 | 45.1 | 0 | 0 | 0 | 0 | 108.8 | K1340 | K1340-T1342 PolarHBondContact O-N 2.97Å; K1340-T1342 VanDerWaalsContact O-N 3.08Å |
| 1343 | K | 31.7 | Very low | 32.4 | Very low | 169 Ų | 169 | 110.8 Ų | 110.8 | 74% | 0.735 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 138.9 | 177.2 | -68.8 | 176.6 | 178.7 | 177.8 | 0 | 109.7 | L1345 | K1343-L1345 PolarHBondContact O-N 2.71Š|
| 1344 | S | 36.9 | Very low | 33.3 | Very low | 77 Ų | 77 | 109.4 Ų | 109.4 | 54% | 0.538 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -64 | 132.6 | -176.9 | 179 | 0 | 0 | 0 | 0 | 110.9 | V1346 E1347 | S1344-V1346 PolarHBondContact O-N 3Å; S1344-E1347 VanDerWaalsContact O-CB 3.32Å; S1344-E1347 WeakPolarHBondContact O-CB 3.4Å; S1344-E1347 PolarHBondContact O-N 3.37Å |
| 1345 | L | 35.4 | Very low | 34.1 | Very low | 37 Ų | 37 | 105.4 Ų | 105.4 | 19% | 0.194 | 60% | 0.596 | C | S | . | * | H | α-helix | trans | -56.3 | -23.5 | -175.8 | -157.4 | 113.5 | 0 | 0 | 0 | 114 | M620 T621 K1343 E1347 E1348 L1349 | M620-L1345 HydrophobicContact CE-CB 4.47Å; M620-L1345 HydrophobicContact CE-CD1 3.22Å; M620-L1345 HydrophobicContact CE-CD2 3.56Å; M620-L1345 HydrophobicContact CE-CG 3.9Å; T621-L1345 HydrophobicContact CG2-CD1 4.21Å; K1343-L1345 PolarHBondContact O-N 2.71Å; L1345-E1347 VanDerWaalsContact C-N 3.28Å; L1345-E1347 PolarHBondContact O-N 2.89Å; L1345-E1348 PolarHBondContact O-N 3.39Å; L1345-L1349 HydrophobicContact CD2-CD1 3.8Å; L1345-L1349 HydrophobicContact CD2-CG 4.47Å; L1345-L1349 PolarHBondContact O-N 3.19Å |
| 1346 | V | 41.1 | Very low | 34.9 | Very low | 102 Ų | 102 | 103.1 Ų | 103.1 | 62% | 0.618 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -60.5 | -40.2 | 173.3 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | S1344 L1349 E1350 | S1344-V1346 PolarHBondContact O-N 3Å; V1346-L1349 PolarHBondContact O-N 3.36Å; V1346-E1350 WeakPolarHBondContact O-CB 3.38Å; V1346-E1350 PolarHBondContact O-N 2.99Å |
| 1347 | E | 41.9 | Very low | 35.6 | Very low | 107 Ų | 107 | 103.5 Ų | 103.5 | 50% | 0.5 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -71.8 | -34.6 | -178 | -155.7 | -179.9 | -173.3 | 0 | 0 | 111.6 | S1344 L1345 N1351 | S1344-E1347 VanDerWaalsContact O-CB 3.32Å; S1344-E1347 WeakPolarHBondContact O-CB 3.4Å; S1344-E1347 PolarHBondContact O-N 3.37Å; L1345-E1347 VanDerWaalsContact C-N 3.28Å; L1345-E1347 PolarHBondContact O-N 2.89Å; E1347-N1351 WeakPolarHBondContact O-CB 3.48Å; E1347-N1351 PolarHBondContact O-N 3.46Å; E1347-N1351 VanDerWaalsContact O-N 3.07Å; E1347-N1351 PolarHBondContact O-ND2 3.27Å |
| 1348 | E | 40.7 | Very low | 36.4 | Very low | 122 Ų | 122 | 101.6 Ų | 101.6 | 57% | 0.57 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.6 | -41.9 | 172.3 | -77.7 | -168.9 | 159.8 | 0 | 0 | 112.6 | L1345 E1350 N1351 A1352 | L1345-E1348 PolarHBondContact O-N 3.39Å; E1348-E1350 VanDerWaalsContact C-N 3.33Å; E1348-N1351 PolarHBondContact O-N 3.41Å; E1348-A1352 WeakPolarHBondContact O-CB 3.4Å; E1348-A1352 PolarHBondContact O-N 2.94Å |
| 1349 | L | 40.3 | Very low | 37.1 | Very low | 78 Ų | 78 | 99.9 Ų | 99.9 | 41% | 0.408 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.9 | -37.7 | 176.1 | -84.7 | 167.3 | 0 | 0 | 0 | 112 | L1345 V1346 A1352 K1353 | L1345-L1349 HydrophobicContact CD2-CD1 3.8Å; L1345-L1349 HydrophobicContact CD2-CG 4.47Å; L1345-L1349 PolarHBondContact O-N 3.19Å; V1346-L1349 PolarHBondContact O-N 3.36Å; L1349-A1352 PolarHBondContact O-N 2.73Å; L1349-K1353 WeakPolarHBondContact O-CB 3.39Å; L1349-K1353 PolarHBondContact O-N 2.55Å |
| 1350 | E | 43.2 | Very low | 37.5 | Very low | 101 Ų | 101 | 102.7 Ų | 102.7 | 47% | 0.472 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.9 | -40.5 | 176.4 | -147.7 | 170.9 | -158.8 | 0 | 0 | 111.2 | V1346 E1348 A1352 K1353 L1354 | V1346-E1350 WeakPolarHBondContact O-CB 3.38Å; V1346-E1350 PolarHBondContact O-N 2.99Å; E1348-E1350 VanDerWaalsContact C-N 3.33Å; E1350-A1352 PolarHBondContact O-N 3.37Å; E1350-K1353 PolarHBondContact O-N 2.93Å; E1350-L1354 WeakPolarHBondContact O-CB 3.34Å; E1350-L1354 VanDerWaalsContact O-CG 3.28Å; E1350-L1354 WeakPolarHBondContact O-CG 3.04Å; E1350-L1354 PolarHBondContact O-N 3.28Å |
| 1351 | N | 41.5 | Very low | 37.7 | Very low | 98 Ų | 98 | 103.5 Ų | 103.5 | 52% | 0.524 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.5 | -38.5 | 173.6 | -74.9 | -21.6 | 0 | 0 | 0 | 113 | E1347 E1348 L1354 T1355 | E1347-N1351 WeakPolarHBondContact O-CB 3.48Å; E1347-N1351 PolarHBondContact O-N 3.46Å; E1347-N1351 VanDerWaalsContact O-N 3.07Å; E1347-N1351 PolarHBondContact O-ND2 3.27Å; E1348-N1351 PolarHBondContact O-N 3.41Å; N1351-L1354 PolarHBondContact O-N 3.07Å; N1351-T1355 PolarHBondContact O-N 3.21Å; N1351-T1355 PolarHBondContact O-OG1 3.22Å |
| 1352 | A | 41.5 | Very low | 38.2 | Very low | 58 Ų | 58 | 98 Ų | 98 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67 | -40.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1348 L1349 E1350 L1354 T1355 A1356 | E1348-A1352 WeakPolarHBondContact O-CB 3.4Å; E1348-A1352 PolarHBondContact O-N 2.94Å; L1349-A1352 PolarHBondContact O-N 2.73Å; E1350-A1352 PolarHBondContact O-N 3.37Å; A1352-L1354 VanDerWaalsContact C-N 3.33Å; A1352-L1354 PolarHBondContact O-N 2.9Å; A1352-T1355 WeakPolarHBondContact CA-OG1 3.34Å; A1352-T1355 PolarHBondContact O-N 3.4Å; A1352-T1355 PolarHBondContact O-OG1 3.49Å; A1352-A1356 PolarHBondContact O-N 3.41Å |
| 1353 | K | 42.6 | Very low | 38.4 | Very low | 108 Ų | 108 | 97.7 Ų | 97.7 | 47% | 0.47 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -35.8 | 176.6 | -164.7 | 178.4 | -173.3 | 177 | 0 | 112.1 | P665 L1349 E1350 T1355 | P665-K1353 PolarHBondContact O-NZ 3.33Å; L1349-K1353 WeakPolarHBondContact O-CB 3.39Å; L1349-K1353 PolarHBondContact O-N 2.55Å; E1350-K1353 PolarHBondContact O-N 2.93Å; K1353-T1355 VanDerWaalsContact C-N 3.34Å |
| 1354 | L | 41.3 | Very low | 38.6 | Very low | 84 Ų | 84 | 99.3 Ų | 99.3 | 44% | 0.44 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -74.1 | -22.5 | 177.3 | -71.7 | 171.7 | 0 | 0 | 0 | 113.6 | T714 E1350 N1351 A1352 L1358 | T714-L1354 HydrophobicContact CG2-CD2 4.36Å; E1350-L1354 WeakPolarHBondContact O-CB 3.34Å; E1350-L1354 VanDerWaalsContact O-CG 3.28Å; E1350-L1354 WeakPolarHBondContact O-CG 3.04Å; E1350-L1354 PolarHBondContact O-N 3.28Å; N1351-L1354 PolarHBondContact O-N 3.07Å; A1352-L1354 VanDerWaalsContact C-N 3.33Å; A1352-L1354 PolarHBondContact O-N 2.9Å; L1354-L1358 WeakPolarHBondContact O-CD1 3.44Å |
| 1355 | T | 36.5 | Very low | 38.4 | Very low | 40 Ų | 40 | 100.9 Ų | 100.9 | 25% | 0.245 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -94.7 | -15.4 | -180 | 40.8 | 0 | 0 | 0 | 0 | 114 | N1351 A1352 K1353 G1357 L1358 R1363 | N1351-T1355 PolarHBondContact O-N 3.21Å; N1351-T1355 PolarHBondContact O-OG1 3.22Å; A1352-T1355 WeakPolarHBondContact CA-OG1 3.34Å; A1352-T1355 PolarHBondContact O-N 3.4Å; A1352-T1355 PolarHBondContact O-OG1 3.49Å; K1353-T1355 VanDerWaalsContact C-N 3.34Å; T1355-G1357 PolarHBondContact O-N 3.07Å; T1355-G1357 VanDerWaalsContact O-N 3.14Å; T1355-L1358 PolarHBondContact O-N 3.07Å; T1355-R1363 HydrophobicContact CG2-CB 4.43Å; T1355-R1363 HydrophobicContact CG2-CG 4.14Å |
| 1356 | A | 37.9 | Very low | 38.2 | Very low | 82 Ų | 82 | 104.3 Ų | 104.3 | 68% | 0.678 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 113.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | A1352 | A1352-A1356 PolarHBondContact O-N 3.41Š|
| 1357 | G | 36.5 | Very low | 37.7 | Very low | 83 Ų | 83 | 104.8 Ų | 104.8 | 86% | 0.856 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.6 | -3.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | T1355 | T1355-G1357 PolarHBondContact O-N 3.07Å; T1355-G1357 VanDerWaalsContact O-N 3.14Å |
| 1358 | L | 39.6 | Very low | 37.2 | Very low | 53 Ų | 53 | 106.3 Ų | 106.3 | 28% | 0.277 | 55% | 0.549 | S | S | . | . | trans | -85.7 | 140.4 | 174.8 | -71 | 174.9 | 0 | 0 | 0 | 112.2 | L1354 T1355 R1363 L1366 | L1354-L1358 WeakPolarHBondContact O-CD1 3.44Å; T1355-L1358 PolarHBondContact O-N 3.07Å; L1358-R1363 HydrophobicContact CB-CG 4.02Å; L1358-R1363 PolarHBondContact O-NE 3.47Å; L1358-R1363 PolarHBondContact O-NH2 3.23Å; L1358-R1363 VanDerWaalsContact O-NH2 3.14Å; L1358-L1366 HydrophobicContact CD1-CD1 3.49Å; L1358-L1366 VanDerWaalsContact CD1-CD1 3.49Å | ||
| 1359 | C | 39.9 | Very low | 36.5 | Very low | 81 Ų | 81 | 107.3 Ų | 107.3 | 55% | 0.547 | 56% | 0.559 | S | S | . | * | trans | -62.1 | 154.8 | 169.3 | 73.4 | 0 | 0 | 0 | 0 | 110.6 | R1361 S1362 R1363 | C1359-R1361 PolarHBondContact O-N 3.42Å; C1359-S1362 PolarHBondContact O-N 3.04Å; C1359-R1363 PolarHBondContact O-N 3.46Å | ||
| 1360 | R | 33.4 | Very low | 35.7 | Very low | 196 Ų | 196 | 107.2 Ų | 107.2 | 74% | 0.74 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -49.1 | -36.4 | -177.2 | -77.2 | -178.8 | 172.3 | 167.8 | -3.1 | 113.4 | ||
| 1361 | R | 33.1 | Very low | 34.6 | Very low | 211 Ų | 211 | 107.8 Ų | 107.8 | 80% | 0.796 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.2 | -39 | 179.3 | -121.1 | 177.8 | -177.2 | 175.6 | 1.4 | 113.1 | C1359 | C1359-R1361 PolarHBondContact O-N 3.42Å |
| 1362 | S | 37.6 | Very low | 33.8 | Very low | 47 Ų | 47 | 112.7 Ų | 112.7 | 33% | 0.329 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -75.9 | -29.8 | 179.6 | -74.2 | 0 | 0 | 0 | 0 | 113.1 | C1359 N1365 L1366 | C1359-S1362 PolarHBondContact O-N 3.04Å; S1362-N1365 PolarHBondContact O-N 3.42Å; S1362-L1366 PolarHBondContact O-N 2.81Å |
| 1363 | R | 34.7 | Very low | 32.9 | Very low | 118 Ų | 118 | 116.3 Ų | 116.3 | 45% | 0.445 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -62.7 | -46.4 | 175.5 | -62.3 | -174.1 | -150.1 | -177.1 | 4.5 | 111.7 | T1355 L1358 C1359 N1365 L1366 T1367 | T1355-R1363 HydrophobicContact CG2-CB 4.43Å; T1355-R1363 HydrophobicContact CG2-CG 4.14Å; L1358-R1363 HydrophobicContact CB-CG 4.02Å; L1358-R1363 PolarHBondContact O-NE 3.47Å; L1358-R1363 PolarHBondContact O-NH2 3.23Å; L1358-R1363 VanDerWaalsContact O-NH2 3.14Å; C1359-R1363 PolarHBondContact O-N 3.46Å; R1363-N1365 VanDerWaalsContact C-N 3.28Å; R1363-N1365 PolarHBondContact O-N 3.31Å; R1363-L1366 PolarHBondContact O-N 3.17Å; R1363-T1367 PolarHBondContact O-N 3.48Å; R1363-T1367 PolarHBondContact O-OG1 2.97Å |
| 1364 | R | 35.1 | Very low | 32 | Very low | 203 Ų | 203 | 119.3 Ų | 119.3 | 77% | 0.766 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -60.8 | -34.8 | 177.9 | -105.2 | -178.2 | 176.9 | 143.2 | 0.1 | 113.4 | T1367 | R1364-T1367 PolarHBondContact O-OG1 3.19Å |
| 1365 | N | 33.3 | Very low | 31.3 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 59% | 0.588 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -78.5 | -21.6 | -178.2 | -78.9 | -5 | 0 | 0 | 0 | 113.8 | S1362 R1363 | S1362-N1365 PolarHBondContact O-N 3.42Å; R1363-N1365 VanDerWaalsContact C-N 3.28Å; R1363-N1365 PolarHBondContact O-N 3.31Å |
| 1366 | L | 30.1 | Very low | 30.8 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 57% | 0.571 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -87.6 | -31.8 | 179.7 | -85.6 | 159.5 | 0 | 0 | 0 | 112.8 | L1358 S1362 R1363 E1368 | L1358-L1366 HydrophobicContact CD1-CD1 3.49Å; L1358-L1366 VanDerWaalsContact CD1-CD1 3.49Å; S1362-L1366 PolarHBondContact O-N 2.81Å; R1363-L1366 PolarHBondContact O-N 3.17Å; L1366-E1368 PolarHBondContact O-N 2.88Å |
| 1367 | T | 32 | Very low | 30.2 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 68% | 0.681 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -16.5 | 176.1 | 52.8 | 0 | 0 | 0 | 0 | 113.5 | R1363 R1364 | R1363-T1367 PolarHBondContact O-N 3.48Å; R1363-T1367 PolarHBondContact O-OG1 2.97Å; R1364-T1367 PolarHBondContact O-OG1 3.19Å |
| 1368 | E | 30.3 | Very low | 29.8 | Very low | 139 Ų | 139 | 135.1 Ų | 135.1 | 65% | 0.65 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -13.8 | 180 | -86.9 | -164.7 | 150.4 | 0 | 0 | 115.1 | L1366 | L1366-E1368 PolarHBondContact O-N 2.88Š|
| 1369 | N | 25.6 | Very low | 29 | Very low | 144 Ų | 144 | 140 Ų | 140 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -119.2 | 13.9 | -167.4 | -76.5 | -11.3 | 0 | 0 | 0 | 116.2 | ||
| 1370 | G | 23.5 | Very low | 28.4 | Very low | 76 Ų | 76 | 143.9 Ų | 143.9 | 78% | 0.784 | 73% | 0.725 | S | S | * | * | trans | -106.3 | 73.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1371 | S | 21.4 | Very low | 27.9 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | trans | -161 | 88 | 163.3 | -179 | 0 | 0 | 0 | 0 | 109 | ||||
| 1372 | F | 24.5 | Very low | 27.5 | Very low | 200 Ų | 200 | 140.9 Ų | 140.9 | 88% | 0.877 | 73% | 0.73 | S | S | * | * | trans | -167.4 | 137 | 161 | -136.8 | -102.7 | 0 | 0 | 0 | 110.3 | ||||
| 1373 | N | 22.8 | Very low | 26.9 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | trans | 89.5 | 108.5 | 173.8 | -71.6 | 1.8 | 0 | 0 | 0 | 118.6 | ||||
| 1374 | M | 23.6 | Very low | 26.2 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | trans | 162.3 | 118 | 145.9 | -85.9 | -41.7 | 156.6 | 0 | 0 | 103 | ||||
| 1375 | I | 26.8 | Very low | 25.8 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | cis | -157.1 | 128.4 | 39.9 | -75.1 | 114.7 | 0 | 0 | 0 | 107.6 | ||||
| 1376 | D | 24.9 | Very low | 25.4 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -107.7 | 149 | 148.1 | -87.6 | -32.4 | 0 | 0 | 0 | 105.8 | ||||
| 1377 | N | 25.2 | Very low | 25 | Very low | 140 Ų | 140 | 144.5 Ų | 144.5 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | 94.9 | 87.6 | 171.5 | -50.8 | -11.7 | 0 | 0 | 0 | 116.4 | ||||
| 1378 | M | 28.2 | Very low | 24.7 | Very low | 182 Ų | 182 | 145.5 Ų | 145.5 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | -143.7 | 103.3 | 133.8 | -129.9 | 175.1 | -172.8 | 0 | 0 | 108.8 | ||||
| 1379 | D | 22.7 | Very low | 24.4 | Very low | 154 Ų | 154 | 145.2 Ų | 145.2 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -66.2 | 123.4 | 169.2 | -63.2 | -55.5 | 0 | 0 | 0 | 109.1 | ||||
| 1380 | I | 27.5 | Very low | 24.4 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -124.1 | 118.9 | 160.4 | -63.4 | 179.2 | 0 | 0 | 0 | 107 | ||||
| 1381 | D | 22.9 | Very low | 24.4 | Very low | 141 Ų | 141 | 147.7 Ų | 147.7 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -83 | 170.2 | -173.7 | -144.9 | -10.6 | 0 | 0 | 0 | 111.2 | ||||
| 1382 | F | 24.8 | Very low | 24.6 | Very low | 204 Ų | 204 | 149.1 Ų | 149.1 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | 85.8 | 118.8 | 165.4 | -97.9 | -101.4 | 0 | 0 | 0 | 120.8 | ||||
| 1383 | G | 24.4 | Very low | 24.8 | Very low | 75 Ų | 75 | 147.4 Ų | 147.4 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 151.6 | 83 | 153.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1384 | A | 21.4 | Very low | 24.8 | Very low | 79 Ų | 79 | 150.2 Ų | 150.2 | 65% | 0.653 | 79% | 0.793 | S | S | * | * | trans | -56.9 | 152.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1385 | Y | 25.5 | Very low | 25 | Very low | 230 Ų | 230 | 150.9 Ų | 150.9 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | 149.7 | 131.2 | 129.2 | -78.9 | -67.4 | 0 | 0 | 0 | 112.4 | |||||
| 1386 | S | 26.3 | Very low | 24.9 | Very low | 104 Ų | 104 | 151.3 Ų | 151.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 75 | 106.8 | 152.8 | -139.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1387 | E | 20.8 | Very low | 24.9 | Very low | 175 Ų | 175 | 152 Ų | 152 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -37.6 | 141.7 | 136.5 | -72.6 | 153.9 | 143.3 | 0 | 0 | 111.4 | ||||
| 1388 | N | 25.5 | Very low | 24.9 | Very low | 132 Ų | 132 | 155.5 Ų | 155.5 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | 171.6 | 116.5 | 136.4 | -76.9 | -17.7 | 0 | 0 | 0 | 109.4 | ||||
| 1389 | D | 23.8 | Very low | 24.8 | Very low | 132 Ų | 132 | 150.7 Ų | 150.7 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | 65.8 | 129.4 | 127.4 | -56.2 | -20.2 | 0 | 0 | 0 | 122.6 | |||||
| 1390 | D | 25.1 | Very low | 24.8 | Very low | 134 Ų | 134 | 151.6 Ų | 151.6 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | trans | 81.8 | 106.5 | 140.2 | -54.9 | -17.7 | 0 | 0 | 0 | 121.3 | ||||
| 1391 | D | 24 | Very low | 24.6 | Very low | 138 Ų | 138 | 149.9 Ų | 149.9 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | 57.7 | 136 | 122.9 | -64.2 | -25.1 | 0 | 0 | 0 | 122.5 | |||||
| 1392 | D | 25.6 | Very low | 24.7 | Very low | 144 Ų | 144 | 152.3 Ų | 152.3 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | 71.6 | 103.2 | 156.8 | -56.3 | -30.6 | 0 | 0 | 0 | 119.3 | ||||
| 1393 | D | 28.4 | Very low | 24.7 | Very low | 163 Ų | 163 | 148.8 Ų | 148.8 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | 175.9 | 90.7 | 121.4 | -87.5 | -30.2 | 0 | 0 | 0 | 111.8 | E1395 | D1393-E1395 PolarHBondContact O-N 3.34Š| |||
| 1394 | E | 24.2 | Very low | 24.9 | Very low | 194 Ų | 194 | 151 Ų | 151 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | trans | -91.6 | 73.5 | 171.5 | -166.7 | -179.7 | -153.4 | 0 | 0 | 110.4 | ||||
| 1395 | E | 26 | Very low | 25.2 | Very low | 184 Ų | 184 | 156.9 Ų | 156.9 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -160 | 8.9 | 160.5 | -122.3 | 177.1 | -177.3 | 0 | 0 | 120.8 | D1393 | D1393-E1395 PolarHBondContact O-N 3.34Š| ||
| 1396 | I | 26.5 | Very low | 25.3 | Very low | 156 Ų | 156 | 154.2 Ų | 154.2 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -90.6 | -6.3 | -177.3 | -63 | 178.7 | 0 | 0 | 0 | 114.6 | K1398 | I1396-K1398 VanDerWaalsContact C-N 3.34Å; I1396-K1398 PolarHBondContact O-N 3.15Å; I1396-K1398 VanDerWaalsContact O-N 3.16Å |
| 1397 | N | 24.9 | Very low | 25.5 | Very low | 169 Ų | 169 | 153.4 Ų | 153.4 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 19.9 | -174.3 | -80.4 | -39.5 | 0 | 0 | 0 | 117 | ||
| 1398 | K | 25.4 | Very low | 26.1 | Very low | 212 Ų | 212 | 152 Ų | 152 | 92% | 0.922 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | 5 | 177.9 | -95.9 | 179 | -176.3 | 165.2 | 0 | 117.7 | I1396 | I1396-K1398 VanDerWaalsContact C-N 3.34Å; I1396-K1398 PolarHBondContact O-N 3.15Å; I1396-K1398 VanDerWaalsContact O-N 3.16Å |
| 1399 | A | 24.7 | Very low | 26.9 | Very low | 82 Ų | 82 | 151.3 Ų | 151.3 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -107 | -15.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 1400 | L | 22.6 | Very low | 28.2 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 90% | 0.901 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -110.5 | 52.2 | -171.2 | -70.6 | 172.2 | 0 | 0 | 0 | 114.5 | ||
| 1401 | C | 24.3 | Very low | 29.8 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | trans | -137.3 | 58.8 | 167.6 | -80 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1402 | K | 24.1 | Very low | 31.9 | Very low | 192 Ų | 192 | 146.5 Ų | 146.5 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | trans | -124.1 | 105.9 | 168.2 | -77.6 | -176.7 | 179.9 | 174.3 | 0 | 111 | ||||
| 1403 | N | 26.1 | Very low | 33.8 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | trans | 75.4 | 96.9 | 144.6 | -59.4 | 0.3 | 0 | 0 | 0 | 120.1 | ||||
| 1404 | P | 28.5 | Very low | 35.6 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 79% | 0.786 | 68% | 0.682 | S | S | * | * | trans | -93.7 | 115.4 | 142.2 | 31.2 | -20.2 | 0 | 0 | 0 | 109.8 | K1406 | P1404-K1406 PolarHBondContact O-N 2.93Š| ||
| 1405 | F | 26.8 | Very low | 37.2 | Very low | 202 Ų | 202 | 128.8 Ų | 128.8 | 89% | 0.886 | 66% | 0.664 | S | S | * | * | trans | -44.6 | 120.5 | 178.8 | -62.7 | -93.9 | 0 | 0 | 0 | 114 | ||||
| 1406 | K | 27.6 | Very low | 37.9 | Very low | 174 Ų | 174 | 125.3 Ų | 125.3 | 76% | 0.757 | 65% | 0.651 | S | S | * | * | trans | -136.7 | 100 | 165.2 | -75.5 | -175.7 | 178.5 | 178.5 | 0 | 107.6 | P1404 K1408 | P1404-K1406 PolarHBondContact O-N 2.93Å; K1406-K1408 PolarHBondContact O-N 3.09Å; K1406-K1408 VanDerWaalsContact O-N 3.08Å | ||
| 1407 | S | 30.7 | Very low | 38.3 | Very low | 87 Ų | 87 | 124 Ų | 124 | 61% | 0.608 | 65% | 0.651 | S | S | * | * | trans | -64 | 106.6 | 169.4 | 48.9 | 0 | 0 | 0 | 0 | 108.4 | D1449 | S1407-D1449 VanDerWaalsContact CB-OD2 3.24Å; S1407-D1449 WeakPolarHBondContact CB-OD2 3.38Å | ||
| 1408 | K | 33.4 | Very low | 38.5 | Very low | 147 Ų | 147 | 122.9 Ų | 122.9 | 64% | 0.639 | 64% | 0.644 | S | S | * | * | trans | -114.5 | 98.7 | 174.1 | -83.4 | 179.3 | 177.5 | 171.1 | 0 | 106 | K1406 Q1410 | K1406-K1408 PolarHBondContact O-N 3.09Å; K1406-K1408 VanDerWaalsContact O-N 3.08Å; K1408-Q1410 PolarHBondContact O-N 3.31Å | ||
| 1409 | H | 41.5 | Very low | 38.7 | Very low | 117 Ų | 117 | 116.7 Ų | 116.7 | 54% | 0.542 | 63% | 0.627 | S | S | . | * | trans | -56.2 | 108.5 | 171.6 | -66.3 | -48.4 | 0 | 0 | 0 | 109.4 | D1449 S1450 D1451 | H1409-D1449 IonicContact CE1-OD1 3.76Å; H1409-S1450 PolarHBondContact CE1-O 3.18Å; H1409-S1450 PolarHBondContact ND1-O 2.87Å; H1409-D1451 VanDerWaalsContact CA-OD1 3.29Å; H1409-D1451 WeakPolarHBondContact CA-OD1 3.49Å; H1409-D1451 IonicContact ND1-OD1 2.61Å | ||
| 1410 | Q | 52.2 | Low | 38.8 | Very low | 88 Ų | 88 | 122.2 Ų | 122.2 | 41% | 0.411 | 64% | 0.638 | S | S | . | * | trans | -101.2 | 141.6 | 176.7 | -81.2 | -175.8 | 25.8 | 0 | 0 | 109.1 | K1408 R1412 D1451 | K1408-Q1410 PolarHBondContact O-N 3.31Å; Q1410-R1412 PolarHBondContact O-N 3.08Å; Q1410-D1451 PolarHBondContact N-OD1 3.05Å | ||
| 1411 | V | 59.1 | Low | 38.9 | Very low | 94 Ų | 94 | 119.4 Ų | 119.4 | 57% | 0.57 | 63% | 0.628 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.7 | 117.6 | 167.8 | -171.2 | 0 | 0 | 0 | 0 | 108.3 | L1452 | V1411-L1452 CarbonylContact C-O 3.56Å; V1411-L1452 VanDerWaalsContact CA-O 3.25Å; V1411-L1452 WeakPolarHBondContact CA-O 3.35Å; V1411-L1452 HydrophobicContact CG1-CD2 4.46Å; V1411-L1452 HydrophobicContact CG2-CB 4.48Å; V1411-L1452 HydrophobicContact CG2-CD2 3.97Å |
| 1412 | R | 67.2 | Low | 38.9 | Very low | 121 Ų | 121 | 118.3 Ų | 118.3 | 46% | 0.457 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.7 | 154.7 | 178.9 | -65.3 | -174.4 | -179.8 | -135.4 | 0.3 | 111 | Q1410 D1451 L1452 W1453 L1454 | Q1410-R1412 PolarHBondContact O-N 3.08Å; R1412-D1451 IonicContact CZ-OD2 2.64Å; R1412-D1451 IonicContact NE-OD2 2.77Å; R1412-D1451 PolarHBondContact NE-OD2 3.37Å; R1412-D1451 IonicContact NH2-OD2 3.11Å; R1412-L1452 PolarHBondContact N-O 3Å; R1412-W1453 HydrophobicContact CB-CD2 4.02Å; R1412-W1453 HydrophobicContact CB-CE3 3.69Å; R1412-W1453 HydrophobicContact CB-CH2 4.21Å; R1412-W1453 HydrophobicContact CB-CZ2 4.5Å; R1412-W1453 HydrophobicContact CB-CZ3 3.79Å; R1412-W1453 CarbonylContact O-C 3.47Å; R1412-W1453 WeakPolarHBondContact O-CA 3.44Å; R1412-L1454 PolarHBondContact O-N 3.15Å |
| 1413 | F | 64.9 | Low | 39 | Very low | 59 Ų | 59 | 118.9 Ų | 118.9 | 26% | 0.259 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.4 | 134.5 | 173.3 | -72.9 | -96.2 | 0 | 0 | 0 | 109.1 | A1415 L1454 | F1413-A1415 PolarHBondContact O-N 2.94Å; F1413-L1454 HydrophobicContact CD1-CB 4.34Å; F1413-L1454 HydrophobicContact CD1-CD2 3.79Å; F1413-L1454 HydrophobicContact CE1-CD2 3.3Å; F1413-L1454 HydrophobicContact CE1-CG 4.49Å; F1413-L1454 HydrophobicContact CZ-CD2 4Å |
| 1414 | A | 67.7 | Low | 39 | Very low | 4 Ų | 4 | 118.5 Ų | 118.5 | 3% | 0.033 | 63% | 0.629 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -76.9 | 22.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | W1453 L1454 V1455 D1482 K1486 | A1414-W1453 HydrophobicContact CB-CE3 4.23Å; A1414-L1454 PolarHBondContact N-O 3.41Å; A1414-V1455 HydrophobicContact CB-CB 4.34Å; A1414-V1455 HydrophobicContact CB-CG1 4.5Å; A1414-V1455 HydrophobicContact CB-CG2 3.81Å; A1414-D1482 VanDerWaalsContact CA-CG 3.46Å; A1414-D1482 WeakPolarHBondContact CA-OD1 3.33Å; A1414-D1482 VanDerWaalsContact CA-OD2 3.26Å; A1414-D1482 WeakPolarHBondContact CA-OD2 3.37Å; A1414-D1482 VanDerWaalsContact CB-OD1 3.25Å; A1414-D1482 WeakPolarHBondContact CB-OD1 3.44Å; A1414-D1482 VanDerWaalsContact O-OD1 3.14Å; A1414-K1486 HydrophobicContact CB-CG 4.22Å; A1414-K1486 WeakPolarHBondContact O-CE 3.41Å; A1414-K1486 PolarHBondContact O-NZ 3.43Å |
| 1415 | A | 57.1 | Low | 38.6 | Very low | 66 Ų | 66 | 124.4 Ų | 124.4 | 55% | 0.545 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.7 | 8.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1413 | F1413-A1415 PolarHBondContact O-N 2.94Š|
| 1416 | D | 41.2 | Very low | 38.7 | Very low | 110 Ų | 110 | 119.5 Ų | 119.5 | 59% | 0.588 | 63% | 0.626 | S | S | * | * | trans | -103.2 | 79.2 | -176.1 | -74.9 | -17.5 | 0 | 0 | 0 | 110.3 | ||||
| 1417 | T | 33.6 | Very low | 38.8 | Very low | 130 Ų | 130 | 119.7 Ų | 119.7 | 80% | 0.798 | 63% | 0.63 | S | S | * | * | trans | 170.1 | 82.6 | 145.2 | 36.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 1418 | I | 29.1 | Very low | 38.5 | Very low | 145 Ų | 145 | 122.5 Ų | 122.5 | 74% | 0.744 | 64% | 0.644 | S | S | * | * | trans | -87.7 | 115.4 | 147.7 | -65.3 | 176.2 | 0 | 0 | 0 | 105.6 | H1420 | I1418-H1420 PolarHBondContact O-N 2.89Š| ||
| 1419 | S | 30.1 | Very low | 38.3 | Very low | 81 Ų | 81 | 121 Ų | 121 | 57% | 0.566 | 65% | 0.652 | S | S | * | * | trans | -38.9 | 128.6 | 168.5 | 42.3 | 0 | 0 | 0 | 0 | 111.7 | T1421 | S1419-T1421 PolarHBondContact O-N 3.12Š| ||
| 1420 | H | 25.9 | Very low | 37.4 | Very low | 199 Ų | 199 | 126.1 Ų | 126.1 | 92% | 0.921 | 67% | 0.666 | S | S | * | * | trans | -65.9 | 88.9 | 158.7 | -76.3 | -77.1 | 0 | 0 | 0 | 108.1 | I1418 | I1418-H1420 PolarHBondContact O-N 2.89Š| ||
| 1421 | T | 25.4 | Very low | 36.3 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 69% | 0.693 | 69% | 0.685 | S | S | * | * | trans | -96.4 | 99.1 | 161.1 | 51 | 0 | 0 | 0 | 0 | 107.7 | S1419 | S1419-T1421 PolarHBondContact O-N 3.12Š| ||
| 1422 | S | 25.3 | Very low | 34.6 | Very low | 105 Ų | 105 | 131.3 Ų | 131.3 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | trans | 174.6 | 100 | 152.8 | 38.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1423 | K | 25.4 | Very low | 32.6 | Very low | 203 Ų | 203 | 130.3 Ų | 130.3 | 88% | 0.883 | 70% | 0.704 | S | S | * | * | -178.8 | 110.3 | 119.6 | -95.5 | 173.3 | -174.8 | -174.1 | 0 | 109.1 | |||||
| 1424 | P | 26 | Very low | 30.6 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | trans | -84.6 | 172.9 | 165.4 | 35.9 | -30.3 | 0 | 0 | 0 | 110.1 | ||||
| 1425 | R | 21.2 | Very low | 28.7 | Very low | 245 Ų | 245 | 141.2 Ų | 141.2 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | trans | 94.8 | 119.1 | 174 | -151.9 | 172.1 | -169 | 179.3 | 3.3 | 111.4 | ||||
| 1426 | S | 27.6 | Very low | 27.1 | Very low | 98 Ų | 98 | 142.5 Ų | 142.5 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | cis | -167.5 | 139.6 | 35.2 | 51.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1427 | Q | 30.7 | Very low | 26.3 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | 173.5 | 107.6 | 77.7 | -83.3 | 175.6 | -31.8 | 0 | 0 | 103.6 | |||||
| 1428 | V | 23.9 | Very low | 25.9 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | 27.4 | 96.5 | 105.6 | -169.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1429 | S | 29.8 | Very low | 25.7 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -158.4 | 133 | 133 | 67.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1430 | R | 21.4 | Very low | 25.5 | Very low | 223 Ų | 223 | 143.1 Ų | 143.1 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | trans | -65.9 | 157.5 | -178.7 | -64.8 | 161.8 | 173.4 | 145.5 | -3.5 | 111.8 | ||||
| 1431 | H | 30.3 | Very low | 25.4 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | trans | 159.8 | 92.7 | 142.4 | -86 | -64.9 | 0 | 0 | 0 | 107.3 | ||||
| 1432 | T | 23.8 | Very low | 25.3 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 71% | 0.712 | 81% | 0.805 | S | S | * | * | 60.4 | 127.8 | 98.2 | 52.1 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1433 | S | 25 | Very low | 25.2 | Very low | 100 Ų | 100 | 144.3 Ų | 144.3 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | trans | 76.7 | 110.3 | 152 | 54.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1434 | L | 22.5 | Very low | 25.2 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | 48.7 | 112 | 125.1 | -73.2 | 126.4 | 0 | 0 | 0 | 118.9 | |||||
| 1435 | S | 28.1 | Very low | 25.6 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | -176.3 | 133.8 | 118.6 | 29.8 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1436 | A | 23.7 | Very low | 26.3 | Very low | 93 Ų | 93 | 135.3 Ų | 135.3 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -78.8 | 167.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1437 | V | 24.6 | Very low | 26.7 | Very low | 127 Ų | 127 | 136 Ų | 136 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | 102 | 121.7 | 159.4 | -171.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1438 | T | 24.2 | Very low | 27.1 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | 72.8 | 99.1 | 161.6 | 54.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1439 | A | 25.6 | Very low | 28.5 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | 178.9 | 72.7 | 126.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | S1441 | A1439-S1441 VanDerWaalsContact C-N 3.33Å; A1439-S1441 PolarHBondContact O-N 2.68Å | |||
| 1440 | A | 24.6 | Very low | 30.1 | Very low | 116 Ų | 116 | 128 Ų | 128 | 96% | 0.959 | 75% | 0.751 | S | S | * | * | trans | -83 | 81.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1441 | S | 24.2 | Very low | 32.6 | Very low | 106 Ų | 106 | 118.3 Ų | 118.3 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | trans | -98.7 | 116.3 | 171.2 | -170.9 | 0 | 0 | 0 | 0 | 109.9 | A1439 | A1439-S1441 VanDerWaalsContact C-N 3.33Å; A1439-S1441 PolarHBondContact O-N 2.68Å | ||
| 1442 | S | 23.3 | Very low | 34.9 | Very low | 89 Ų | 89 | 111.9 Ų | 111.9 | 62% | 0.622 | 69% | 0.687 | S | S | * | * | trans | 53.7 | 75.3 | 137.5 | -172.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1443 | R | 24.2 | Very low | 37.7 | Very low | 246 Ų | 246 | 107.6 Ų | 107.6 | 93% | 0.928 | 66% | 0.658 | S | S | * | * | trans | -95.7 | 100.9 | 147.2 | -83.5 | -176.5 | -169 | 165 | 5.4 | 107.8 | ||||
| 1444 | H | 24.2 | Very low | 40.2 | Very low | 164 Ų | 164 | 103.8 Ų | 103.8 | 76% | 0.759 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 130.1 | 164.4 | -91.1 | -78.4 | 0 | 0 | 0 | 109.6 | ||
| 1445 | P | 35.3 | Very low | 42.8 | Very low | 108 Ų | 108 | 95.8 Ų | 95.8 | 70% | 0.701 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -66 | 138.8 | 174.8 | 26.4 | -30.7 | 0 | 0 | 0 | 109.4 | S1447 | P1445-S1447 PolarHBondContact O-N 2.98Š|
| 1446 | P | 35.8 | Very low | 44.6 | Very low | 111 Ų | 111 | 93.6 Ų | 93.6 | 72% | 0.721 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 137.3 | 177.8 | 26.6 | -32.1 | 0 | 0 | 0 | 109.7 | N1448 | P1446-N1448 PolarHBondContact O-N 3.36Š|
| 1447 | S | 35.3 | Very low | 46.4 | Very low | 112 Ų | 112 | 91.5 Ų | 91.5 | 78% | 0.783 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 119.8 | 175.8 | 52.4 | 0 | 0 | 0 | 0 | 110.8 | P1445 D1449 | P1445-S1447 PolarHBondContact O-N 2.98Å; S1447-D1449 PolarHBondContact O-N 3.49Å |
| 1448 | N | 39.7 | Very low | 47.8 | Very low | 146 Ų | 146 | 91.5 Ų | 91.5 | 78% | 0.781 | 54% | 0.543 | S | S | * | . | trans | -68.4 | 56.9 | 179.6 | -72.9 | -21 | 0 | 0 | 0 | 113.7 | P1446 S1450 | P1446-N1448 PolarHBondContact O-N 3.36Å; N1448-S1450 PolarHBondContact O-N 2.94Å | ||
| 1449 | D | 53.8 | Low | 49 | Very low | 80 Ų | 80 | 93.9 Ų | 93.9 | 43% | 0.428 | 54% | 0.544 | S | S | . | . | trans | -85.9 | 104.5 | 171.6 | -140.7 | 6.1 | 0 | 0 | 0 | 108 | S1407 H1409 S1447 D1451 | S1407-D1449 VanDerWaalsContact CB-OD2 3.24Å; S1407-D1449 WeakPolarHBondContact CB-OD2 3.38Å; H1409-D1449 IonicContact CE1-OD1 3.76Å; S1447-D1449 PolarHBondContact O-N 3.49Å; D1449-D1451 PolarHBondContact O-N 2.74Å | ||
| 1450 | S | 63.4 | Low | 50 | Low | 48 Ų | 48 | 91.2 Ų | 91.2 | 34% | 0.336 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 124.7 | 179.3 | 53.2 | 0 | 0 | 0 | 0 | 110.5 | H1409 N1448 | H1409-S1450 PolarHBondContact CE1-O 3.18Å; H1409-S1450 PolarHBondContact ND1-O 2.87Å; N1448-S1450 PolarHBondContact O-N 2.94Å |
| 1451 | D | 72.3 | Confident | 51.1 | Low | 19 Ų | 19 | 91.6 Ų | 91.6 | 10% | 0.102 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 157.8 | 173.4 | -97.4 | -17.6 | 0 | 0 | 0 | 109.2 | H1409 Q1410 R1412 D1449 W1453 F1478 A1479 | H1409-D1451 VanDerWaalsContact CA-OD1 3.29Å; H1409-D1451 WeakPolarHBondContact CA-OD1 3.49Å; H1409-D1451 IonicContact ND1-OD1 2.61Å; Q1410-D1451 PolarHBondContact N-OD1 3.05Å; R1412-D1451 IonicContact CZ-OD2 2.64Å; R1412-D1451 IonicContact NE-OD2 2.77Å; R1412-D1451 PolarHBondContact NE-OD2 3.37Å; R1412-D1451 IonicContact NH2-OD2 3.11Å; D1449-D1451 PolarHBondContact O-N 2.74Å; D1451-W1453 VanDerWaalsContact O-CD1 3.22Å; D1451-W1453 PolarHBondContact O-N 3.24Å; D1451-F1478 WeakPolarHBondContact O-CA 3.36Å; D1451-A1479 PolarHBondContact N-O 2.93Å; D1451-A1479 PolarHBondContact O-N 3.36Å |
| 1452 | L | 79.4 | Confident | 52.3 | Low | 41 Ų | 41 | 92.1 Ų | 92.1 | 22% | 0.215 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 118.1 | 172.1 | -176.8 | 68.1 | 0 | 0 | 0 | 108.8 | V1411 R1412 F1478 | V1411-L1452 CarbonylContact C-O 3.56Å; V1411-L1452 VanDerWaalsContact CA-O 3.25Å; V1411-L1452 WeakPolarHBondContact CA-O 3.35Å; V1411-L1452 HydrophobicContact CG1-CD2 4.46Å; V1411-L1452 HydrophobicContact CG2-CB 4.48Å; V1411-L1452 HydrophobicContact CG2-CD2 3.97Å; R1412-L1452 PolarHBondContact N-O 3Å; L1452-F1478 HydrophobicContact CB-CD1 4.2Å; L1452-F1478 HydrophobicContact CB-CE1 3.83Å; L1452-F1478 HydrophobicContact CB-CE2 4.37Å; L1452-F1478 HydrophobicContact CB-CZ 3.92Å; L1452-F1478 HydrophobicContact CD1-CD2 3.64Å; L1452-F1478 HydrophobicContact CD1-CE1 4.48Å; L1452-F1478 HydrophobicContact CD1-CE2 3.58Å; L1452-F1478 HydrophobicContact CD1-CG 4.14Å; L1452-F1478 HydrophobicContact CD1-CZ 4.02Å; L1452-F1478 HydrophobicContact CG-CE2 4.43Å; L1452-F1478 HydrophobicContact CG-CZ 4.4Å |
| 1453 | W | 82.6 | Confident | 53.8 | Low | 25 Ų | 25 | 92.2 Ų | 92.2 | 10% | 0.095 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 132.6 | 176.7 | -67 | 85.8 | 0 | 0 | 0 | 110.7 | R1412 A1414 D1451 T1476 A1477 A1479 D1482 A1485 | R1412-W1453 HydrophobicContact CB-CD2 4.02Å; R1412-W1453 HydrophobicContact CB-CE3 3.69Å; R1412-W1453 HydrophobicContact CB-CH2 4.21Å; R1412-W1453 HydrophobicContact CB-CZ2 4.5Å; R1412-W1453 HydrophobicContact CB-CZ3 3.79Å; R1412-W1453 CarbonylContact O-C 3.47Å; R1412-W1453 WeakPolarHBondContact O-CA 3.44Å; A1414-W1453 HydrophobicContact CB-CE3 4.23Å; D1451-W1453 VanDerWaalsContact O-CD1 3.22Å; D1451-W1453 PolarHBondContact O-N 3.24Å; W1453-T1476 CarbonylContact O-C 3.59Å; W1453-T1476 VanDerWaalsContact O-CA 3.24Å; W1453-T1476 WeakPolarHBondContact O-CA 3.23Å; W1453-A1477 PolarHBondContact N-O 3.34Å; W1453-A1477 PolarHBondContact O-N 3.39Å; W1453-A1479 VanDerWaalsContact CD1-O 3.23Å; W1453-A1479 PolarHBondContact NE1-O 3.5Å; W1453-D1482 HydrophobicContact CE3-CB 4.11Å; W1453-D1482 HydrophobicContact CH2-CB 3.83Å; W1453-D1482 HydrophobicContact CZ2-CB 4.45Å; W1453-D1482 HydrophobicContact CZ3-CB 3.64Å; W1453-A1485 HydrophobicContact CB-CB 3.29Å; W1453-A1485 HydrophobicContact CD2-CB 4.25Å; W1453-A1485 HydrophobicContact CG-CB 3.48Å; W1453-A1485 VanDerWaalsContact CG-CB 3.48Å |
| 1454 | L | 77.3 | Confident | 55.4 | Low | 20 Ų | 20 | 82.6 Ų | 82.6 | 11% | 0.105 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 116.8 | 166 | -165.2 | 88.5 | 0 | 0 | 0 | 108.4 | R1412 F1413 A1414 E1456 L1464 H1475 T1476 | R1412-L1454 PolarHBondContact O-N 3.15Å; F1413-L1454 HydrophobicContact CD1-CB 4.34Å; F1413-L1454 HydrophobicContact CD1-CD2 3.79Å; F1413-L1454 HydrophobicContact CE1-CD2 3.3Å; F1413-L1454 HydrophobicContact CE1-CG 4.49Å; F1413-L1454 HydrophobicContact CZ-CD2 4Å; A1414-L1454 PolarHBondContact N-O 3.41Å; L1454-E1456 HydrophobicContact CD2-CG 4.31Å; L1454-L1464 HydrophobicContact CD1-CD2 4.32Å; L1454-H1475 CarbonylContact C-O 3.6Å; L1454-H1475 WeakPolarHBondContact CA-O 3.41Å; L1454-T1476 HydrophobicContact CD1-CG2 3.62Å |
| 1455 | V | 76.9 | Confident | 57.3 | Low | 1 Ų | 1 | 77.9 Ų | 77.9 | 1% | 0.006 | 45% | 0.446 | C | S | . | . | trans | -102.8 | 101.9 | 179.7 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | A1414 H1475 A1485 K1486 V1489 | A1414-V1455 HydrophobicContact CB-CB 4.34Å; A1414-V1455 HydrophobicContact CB-CG1 4.5Å; A1414-V1455 HydrophobicContact CB-CG2 3.81Å; V1455-H1475 PolarHBondContact N-O 2.96Å; V1455-H1475 PolarHBondContact O-ND1 3.39Å; V1455-A1485 HydrophobicContact CG2-CB 4.08Å; V1455-K1486 HydrophobicContact CG1-CB 4.49Å; V1455-K1486 HydrophobicContact CG1-CG 3.73Å; V1455-K1486 HydrophobicContact CG2-CG 4.31Å; V1455-V1489 HydrophobicContact CB-CB 4.15Å; V1455-V1489 HydrophobicContact CB-CG1 4.18Å; V1455-V1489 HydrophobicContact CB-CG2 3.92Å; V1455-V1489 HydrophobicContact CG1-CB 4.35Å; V1455-V1489 HydrophobicContact CG1-CG1 4.25Å; V1455-V1489 HydrophobicContact CG2-CB 4.19Å; V1455-V1489 HydrophobicContact CG2-CG2 3.72Å | ||
| 1456 | E | 66.6 | Low | 58.1 | Low | 77 Ų | 77 | 78 Ų | 78 | 36% | 0.36 | 44% | 0.44 | S | S | . | . | trans | -85.6 | 121.3 | 168.8 | -70 | 178.5 | 178 | 0 | 0 | 108.4 | L1454 P1458 L1606 | L1454-E1456 HydrophobicContact CD2-CG 4.31Å; E1456-P1458 WeakPolarHBondContact O-CD 3.36Å; E1456-L1606 WeakPolarHBondContact OE1-CD1 3.46Å | ||
| 1457 | N | 61.7 | Low | 58.8 | Low | 50 Ų | 50 | 77.4 Ų | 77.4 | 27% | 0.267 | 44% | 0.438 | S | S | . | . | trans | -86.9 | 110.6 | 170 | -107.9 | -19.8 | 0 | 0 | 0 | 107.8 | E1459 S1460 | N1457-E1459 PolarHBondContact O-N 3.45Å; N1457-E1459 VanDerWaalsContact O-N 3.15Å; N1457-S1460 WeakPolarHBondContact CB-OG 3.44Å; N1457-S1460 PolarHBondContact O-N 3.09Å; N1457-S1460 PolarHBondContact O-OG 2.89Å; N1457-S1460 VanDerWaalsContact O-OG 3.06Å | ||
| 1458 | P | 52.7 | Low | 59.8 | Low | 127 Ų | 127 | 74.6 Ų | 74.6 | 83% | 0.825 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18.1 | -179.4 | 26.7 | -33.8 | 0 | 0 | 0 | 112.7 | E1456 | E1456-P1458 WeakPolarHBondContact O-CD 3.36Š|
| 1459 | E | 50.2 | Low | 60.6 | Low | 185 Ų | 185 | 72.4 Ų | 72.4 | 86% | 0.864 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -24.2 | -179.1 | -63.1 | -176.5 | 175.9 | 0 | 0 | 113.3 | N1457 S1461 | N1457-E1459 PolarHBondContact O-N 3.45Å; N1457-E1459 VanDerWaalsContact O-N 3.15Å; E1459-S1461 PolarHBondContact O-N 2.99Å |
| 1460 | S | 47 | Very low | 61.4 | Low | 45 Ų | 45 | 76.2 Ų | 76.2 | 32% | 0.315 | 42% | 0.421 | S | S | . | . | trans | -82.3 | 111.4 | 172.8 | 58.3 | 0 | 0 | 0 | 0 | 109.4 | N1457 E1462 | N1457-S1460 WeakPolarHBondContact CB-OG 3.44Å; N1457-S1460 PolarHBondContact O-N 3.09Å; N1457-S1460 PolarHBondContact O-OG 2.89Å; N1457-S1460 VanDerWaalsContact O-OG 3.06Å; S1460-E1462 PolarHBondContact O-N 2.86Å; S1460-E1462 VanDerWaalsContact O-N 3.08Å | ||
| 1461 | S | 46.3 | Very low | 61.6 | Low | 124 Ų | 124 | 74.2 Ų | 74.2 | 87% | 0.867 | 41% | 0.407 | S | S | * | . | trans | -72.6 | 11.5 | 173.9 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | E1459 | E1459-S1461 PolarHBondContact O-N 2.99Š| ||
| 1462 | E | 49.8 | Very low | 61.2 | Low | 117 Ų | 117 | 76.4 Ų | 76.4 | 55% | 0.547 | 42% | 0.418 | S | S | . | . | trans | -76.9 | 125.8 | 177.4 | -162.5 | 176 | 178 | 0 | 0 | 109.9 | S1460 L1464 R1474 | S1460-E1462 PolarHBondContact O-N 2.86Å; S1460-E1462 VanDerWaalsContact O-N 3.08Å; E1462-L1464 PolarHBondContact O-N 2.96Å; E1462-R1474 IonicContact OE1-NH1 3.61Å | ||
| 1463 | I | 55.2 | Low | 60.8 | Low | 91 Ų | 91 | 76.6 Ų | 76.6 | 47% | 0.467 | 43% | 0.426 | S | S | . | . | trans | -82.8 | 116.3 | -177 | -52.5 | 161.8 | 0 | 0 | 0 | 108.3 | D1465 F1603 | I1463-D1465 PolarHBondContact O-N 3.27Å; I1463-D1465 VanDerWaalsContact O-N 3.12Å; I1463-F1603 HydrophobicContact CB-CD1 3.87Å; I1463-F1603 HydrophobicContact CB-CE1 4.38Å; I1463-F1603 HydrophobicContact CD1-CB 4.01Å; I1463-F1603 HydrophobicContact CD1-CD1 4.1Å; I1463-F1603 HydrophobicContact CD1-CG 3.98Å; I1463-F1603 HydrophobicContact CG2-CB 3.97Å; I1463-F1603 HydrophobicContact CG2-CD1 3.37Å; I1463-F1603 HydrophobicContact CG2-CE1 4.24Å; I1463-F1603 HydrophobicContact CG2-CG 4.04Å | ||
| 1464 | L | 58.7 | Low | 60.2 | Low | 43 Ų | 43 | 78.9 Ų | 78.9 | 23% | 0.225 | 44% | 0.435 | C | S | . | . | trans | -62.9 | 110.9 | -177.4 | -169.7 | 71.2 | 0 | 0 | 0 | 111.7 | L1454 E1462 L1466 H1475 | L1454-L1464 HydrophobicContact CD1-CD2 4.32Å; E1462-L1464 PolarHBondContact O-N 2.96Å; L1464-L1466 HydrophobicContact CD2-CD2 3.9Å; L1464-L1466 HydrophobicContact CG-CD2 4.29Å; L1464-L1466 PolarHBondContact O-N 3.18Å; L1464-H1475 HydrophobicContact CD1-CB 3.77Å; L1464-H1475 WeakPolarHBondContact CD1-CD2 3.17Å; L1464-H1475 VanDerWaalsContact CD1-CG 3.5Å; L1464-H1475 HydrophobicContact CD2-CB 4.39Å | ||
| 1465 | D | 63.2 | Low | 60.2 | Low | 66 Ų | 66 | 78.5 Ų | 78.5 | 35% | 0.353 | 43% | 0.432 | S | S | . | . | trans | -85.7 | 101.3 | 174.1 | -174.6 | -1.4 | 0 | 0 | 0 | 110.2 | I1463 S1467 D1468 | I1463-D1465 PolarHBondContact O-N 3.27Å; I1463-D1465 VanDerWaalsContact O-N 3.12Å; D1465-S1467 VanDerWaalsContact CG-OG 3.27Å; D1465-S1467 PolarHBondContact O-N 3.21Å; D1465-S1467 VanDerWaalsContact O-N 3.12Å; D1465-S1467 WeakPolarHBondContact OD1-CB 3.27Å; D1465-S1467 PolarHBondContact OD1-N 3.08Å; D1465-S1467 PolarHBondContact OD1-OG 2.97Å; D1465-S1467 PolarHBondContact OD2-OG 3.37Å; D1465-D1468 HydrophobicContact CB-CB 4.48Å; D1465-D1468 PolarHBondContact O-N 2.89Å | ||
| 1466 | L | 51.3 | Low | 60.4 | Low | 110 Ų | 110 | 80.1 Ų | 80.1 | 58% | 0.576 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -10.6 | 178.4 | -62.3 | 176 | 0 | 0 | 0 | 113.6 | L1464 L1472 | L1464-L1466 HydrophobicContact CD2-CD2 3.9Å; L1464-L1466 HydrophobicContact CG-CD2 4.29Å; L1464-L1466 PolarHBondContact O-N 3.18Å; L1466-L1472 HydrophobicContact CD2-CD1 3.79Å |
| 1467 | S | 50.4 | Low | 60.9 | Low | 99 Ų | 99 | 77 Ų | 77 | 69% | 0.692 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -19.2 | 176.8 | 69.9 | 0 | 0 | 0 | 0 | 113.6 | D1465 P1469 | D1465-S1467 VanDerWaalsContact CG-OG 3.27Å; D1465-S1467 PolarHBondContact O-N 3.21Å; D1465-S1467 VanDerWaalsContact O-N 3.12Å; D1465-S1467 WeakPolarHBondContact OD1-CB 3.27Å; D1465-S1467 PolarHBondContact OD1-N 3.08Å; D1465-S1467 PolarHBondContact OD1-OG 2.97Å; D1465-S1467 PolarHBondContact OD2-OG 3.37Å; S1467-P1469 WeakPolarHBondContact O-CD 3.33Å |
| 1468 | D | 56.5 | Low | 61.8 | Low | 53 Ų | 53 | 80 Ų | 80 | 28% | 0.283 | 44% | 0.44 | S | S | . | . | trans | -91.5 | 113.9 | 173.2 | 176.8 | 23.2 | 0 | 0 | 0 | 111.2 | D1465 K1470 S1471 L1472 R1474 | D1465-D1468 HydrophobicContact CB-CB 4.48Å; D1465-D1468 PolarHBondContact O-N 2.89Å; D1468-K1470 PolarHBondContact O-N 3.29Å; D1468-K1470 PolarHBondContact OD1-N 3.45Å; D1468-S1471 PolarHBondContact O-N 3.29Å; D1468-S1471 PolarHBondContact OD2-N 2.92Å; D1468-L1472 PolarHBondContact O-N 3.32Å; D1468-R1474 IonicContact OD2-NH2 3.01Å | ||
| 1469 | P | 58 | Low | 63 | Low | 100 Ų | 100 | 74 Ų | 74 | 65% | 0.649 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.6 | -26 | 178.2 | 25.8 | -34.6 | 0 | 0 | 0 | 113.1 | S1467 A1473 | S1467-P1469 WeakPolarHBondContact O-CD 3.33Å; P1469-A1473 WeakPolarHBondContact O-CB 3.41Å; P1469-A1473 PolarHBondContact O-N 3.33Å; P1469-A1473 VanDerWaalsContact O-N 3.08Å |
| 1470 | K | 69.4 | Low | 64.3 | Low | 160 Ų | 160 | 68.4 Ų | 68.4 | 70% | 0.696 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -76.1 | -35.4 | 177.1 | -68.4 | -178.2 | 178.5 | -179.3 | 0 | 112.3 | D1468 R1474 | D1468-K1470 PolarHBondContact O-N 3.29Å; D1468-K1470 PolarHBondContact OD1-N 3.45Å; K1470-R1474 WeakPolarHBondContact O-CG 3.5Å; K1470-R1474 PolarHBondContact O-N 2.89Å; K1470-R1474 PolarHBondContact O-NE 3.47Å; K1470-R1474 VanDerWaalsContact O-NE 3.14Å |
| 1471 | S | 68.2 | Low | 65.8 | Low | 6 Ų | 6 | 69.4 Ų | 69.4 | 4% | 0.042 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.4 | -46 | 171.3 | -171.7 | 0 | 0 | 0 | 0 | 110.9 | D1468 A1473 R1474 H1475 | D1468-S1471 PolarHBondContact O-N 3.29Å; D1468-S1471 PolarHBondContact OD2-N 2.92Å; S1471-A1473 PolarHBondContact O-N 3.04Å; S1471-R1474 WeakPolarHBondContact O-CB 3.42Å; S1471-R1474 PolarHBondContact O-N 2.83Å; S1471-H1475 PolarHBondContact O-CD2 3.32Å |
| 1472 | L | 64.8 | Low | 67.1 | Low | 64 Ų | 64 | 64.2 Ų | 64.2 | 34% | 0.335 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 177.2 | -168.8 | 78.9 | 0 | 0 | 0 | 112.3 | L1466 D1468 R1474 H1475 T1476 | L1466-L1472 HydrophobicContact CD2-CD1 3.79Å; D1468-L1472 PolarHBondContact O-N 3.32Å; L1472-R1474 PolarHBondContact O-N 3.04Å; L1472-H1475 CarbonylContact O-C 3.59Å; L1472-H1475 PolarHBondContact O-N 3.25Å; L1472-T1476 HydrophobicContact CD1-CG2 4.26Å; L1472-T1476 HydrophobicContact CG-CG2 4.07Å; L1472-T1476 PolarHBondContact O-N 2.89Å; L1472-T1476 PolarHBondContact O-OG1 3.06Å |
| 1473 | A | 69.3 | Low | 68.6 | Low | 45 Ų | 45 | 65.2 Ų | 65.2 | 37% | 0.372 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.7 | -29.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1469 S1471 H1475 | P1469-A1473 WeakPolarHBondContact O-CB 3.41Å; P1469-A1473 PolarHBondContact O-N 3.33Å; P1469-A1473 VanDerWaalsContact O-N 3.08Å; S1471-A1473 PolarHBondContact O-N 3.04Å; A1473-H1475 PolarHBondContact O-N 3.47Å |
| 1474 | R | 71.2 | Confident | 69.8 | Low | 74 Ų | 74 | 63.1 Ų | 63.1 | 28% | 0.279 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -10.5 | 175.6 | -75.5 | -179.8 | -86.6 | 174.7 | -1.6 | 114 | E1462 D1468 K1470 S1471 L1472 V1489 L1496 | E1462-R1474 IonicContact OE1-NH1 3.61Å; D1468-R1474 IonicContact OD2-NH2 3.01Å; K1470-R1474 WeakPolarHBondContact O-CG 3.5Å; K1470-R1474 PolarHBondContact O-N 2.89Å; K1470-R1474 PolarHBondContact O-NE 3.47Å; K1470-R1474 VanDerWaalsContact O-NE 3.14Å; S1471-R1474 WeakPolarHBondContact O-CB 3.42Å; S1471-R1474 PolarHBondContact O-N 2.83Å; L1472-R1474 PolarHBondContact O-N 3.04Å; R1474-V1489 VanDerWaalsContact O-CG1 3.24Å; R1474-V1489 WeakPolarHBondContact O-CG1 3.49Å; R1474-L1496 HydrophobicContact CG-CD1 3.99Å |
| 1475 | H | 77.7 | Confident | 70.9 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 6% | 0.056 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.6 | 11 | -175.8 | -71.5 | -87.4 | 0 | 0 | 0 | 113.4 | L1454 V1455 L1464 S1471 L1472 A1473 | L1454-H1475 CarbonylContact C-O 3.6Å; L1454-H1475 WeakPolarHBondContact CA-O 3.41Å; V1455-H1475 PolarHBondContact N-O 2.96Å; V1455-H1475 PolarHBondContact O-ND1 3.39Å; L1464-H1475 HydrophobicContact CD1-CB 3.77Å; L1464-H1475 WeakPolarHBondContact CD1-CD2 3.17Å; L1464-H1475 VanDerWaalsContact CD1-CG 3.5Å; L1464-H1475 HydrophobicContact CD2-CB 4.39Å; S1471-H1475 PolarHBondContact O-CD2 3.32Å; L1472-H1475 CarbonylContact O-C 3.59Å; L1472-H1475 PolarHBondContact O-N 3.25Å; A1473-H1475 PolarHBondContact O-N 3.47Å |
| 1476 | T | 79.5 | Confident | 71.8 | Confident | 35 Ų | 35 | 61.4 Ų | 61.4 | 22% | 0.215 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 134.5 | 178 | 58.5 | 0 | 0 | 0 | 0 | 112.1 | W1453 L1454 L1472 | W1453-T1476 CarbonylContact O-C 3.59Å; W1453-T1476 VanDerWaalsContact O-CA 3.24Å; W1453-T1476 WeakPolarHBondContact O-CA 3.23Å; L1454-T1476 HydrophobicContact CD1-CG2 3.62Å; L1472-T1476 HydrophobicContact CD1-CG2 4.26Å; L1472-T1476 HydrophobicContact CG-CG2 4.07Å; L1472-T1476 PolarHBondContact O-N 2.89Å; L1472-T1476 PolarHBondContact O-OG1 3.06Å |
| 1477 | A | 78.6 | Confident | 73.1 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 8% | 0.083 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 140.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | W1453 A1485 M1488 V1489 | W1453-A1477 PolarHBondContact N-O 3.34Å; W1453-A1477 PolarHBondContact O-N 3.39Å; A1477-A1485 HydrophobicContact CB-CB 4.26Å; A1477-M1488 HydrophobicContact CB-CB 3.76Å; A1477-M1488 HydrophobicContact CB-SD 4.21Å; A1477-V1489 HydrophobicContact CB-CG2 3.91Å |
| 1478 | F | 80.1 | Confident | 74.5 | Confident | 115 Ų | 115 | 58.4 Ų | 58.4 | 50% | 0.504 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 112.9 | 167.5 | -89.5 | -82.7 | 0 | 0 | 0 | 108.6 | D1451 L1452 | D1451-F1478 WeakPolarHBondContact O-CA 3.36Å; L1452-F1478 HydrophobicContact CB-CD1 4.2Å; L1452-F1478 HydrophobicContact CB-CE1 3.83Å; L1452-F1478 HydrophobicContact CB-CE2 4.37Å; L1452-F1478 HydrophobicContact CB-CZ 3.92Å; L1452-F1478 HydrophobicContact CD1-CD2 3.64Å; L1452-F1478 HydrophobicContact CD1-CE1 4.48Å; L1452-F1478 HydrophobicContact CD1-CE2 3.58Å; L1452-F1478 HydrophobicContact CD1-CG 4.14Å; L1452-F1478 HydrophobicContact CD1-CZ 4.02Å; L1452-F1478 HydrophobicContact CG-CE2 4.43Å; L1452-F1478 HydrophobicContact CG-CZ 4.4Å |
| 1479 | A | 78.2 | Confident | 75.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 151.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D1451 W1453 D1481 T1484 A1485 M1488 | D1451-A1479 PolarHBondContact N-O 2.93Å; D1451-A1479 PolarHBondContact O-N 3.36Å; W1453-A1479 VanDerWaalsContact CD1-O 3.23Å; W1453-A1479 PolarHBondContact NE1-O 3.5Å; A1479-D1481 VanDerWaalsContact C-N 3.29Å; A1479-D1481 PolarHBondContact O-N 2.9Å; A1479-T1484 VanDerWaalsContact CB-OG1 3.26Å; A1479-T1484 WeakPolarHBondContact CB-OG1 3.47Å; A1479-A1485 HydrophobicContact CB-CB 3.8Å; A1479-M1488 HydrophobicContact CB-SD 4.4Å |
| 1480 | P | 76.9 | Confident | 76.7 | Confident | 68 Ų | 68 | 54.6 Ų | 54.6 | 44% | 0.442 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -69.2 | -26.8 | 177.8 | 23.6 | -28.1 | 0 | 0 | 0 | 112.9 | ||
| 1481 | D | 77.7 | Confident | 77.1 | Confident | 65 Ų | 65 | 52.4 Ų | 52.4 | 35% | 0.348 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -140.5 | 159.6 | -175.7 | 61.3 | -56.9 | 0 | 0 | 0 | 112.6 | A1479 M1483 T1484 A1485 | A1479-D1481 VanDerWaalsContact C-N 3.29Å; A1479-D1481 PolarHBondContact O-N 2.9Å; D1481-M1483 VanDerWaalsContact C-N 3.3Å; D1481-M1483 PolarHBondContact O-N 2.92Å; D1481-T1484 PolarHBondContact N-OG1 2.61Å; D1481-T1484 PolarHBondContact O-N 3.29Å; D1481-T1484 PolarHBondContact O-OG1 2.74Å; D1481-T1484 WeakPolarHBondContact OD1-CB 3.48Å; D1481-T1484 WeakPolarHBondContact OD1-CG2 3.35Å; D1481-T1484 PolarHBondContact OD1-OG1 2.92Å; D1481-T1484 PolarHBondContact OD2-N 3.43Å; D1481-A1485 PolarHBondContact O-N 3.39Å; D1481-A1485 VanDerWaalsContact O-N 3.08Å |
| 1482 | D | 74.9 | Confident | 77 | Confident | 15 Ų | 15 | 57.9 Ų | 57.9 | 8% | 0.08 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57 | -43.6 | -179.3 | 179.5 | -28 | 0 | 0 | 0 | 111.7 | A1414 W1453 T1484 A1485 K1486 | A1414-D1482 VanDerWaalsContact CA-CG 3.46Å; A1414-D1482 WeakPolarHBondContact CA-OD1 3.33Å; A1414-D1482 VanDerWaalsContact CA-OD2 3.26Å; A1414-D1482 WeakPolarHBondContact CA-OD2 3.37Å; A1414-D1482 VanDerWaalsContact CB-OD1 3.25Å; A1414-D1482 WeakPolarHBondContact CB-OD1 3.44Å; A1414-D1482 VanDerWaalsContact O-OD1 3.14Å; W1453-D1482 HydrophobicContact CE3-CB 4.11Å; W1453-D1482 HydrophobicContact CH2-CB 3.83Å; W1453-D1482 HydrophobicContact CZ2-CB 4.45Å; W1453-D1482 HydrophobicContact CZ3-CB 3.64Å; D1482-T1484 PolarHBondContact O-N 3.01Å; D1482-A1485 WeakPolarHBondContact O-CB 3.36Å; D1482-A1485 PolarHBondContact O-N 3.01Å; D1482-K1486 PolarHBondContact O-N 3.38Å; D1482-K1486 WeakPolarHBondContact OD1-CE 3.45Å; D1482-K1486 IonicContact OD1-NZ 3.96Å; D1482-K1486 PolarHBondContact OD1-NZ 2.83Å; D1482-K1486 IonicContact OD2-NZ 3.91Å |
| 1483 | M | 81.1 | Confident | 77.3 | Confident | 138 Ų | 138 | 57.3 Ų | 57.3 | 68% | 0.68 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.9 | -43.3 | -176.8 | -66.1 | -67.2 | -68.5 | 0 | 0 | 111.5 | D1481 K1486 A1487 | D1481-M1483 VanDerWaalsContact C-N 3.3Å; D1481-M1483 PolarHBondContact O-N 2.92Å; M1483-K1486 PolarHBondContact O-N 2.83Å; M1483-A1487 WeakPolarHBondContact O-CB 3.34Å; M1483-A1487 PolarHBondContact O-N 3.31Å |
| 1484 | T | 80.3 | Confident | 77.4 | Confident | 48 Ų | 48 | 60 Ų | 60 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.4 | -35.8 | 174.8 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | A1479 D1481 D1482 A1487 M1488 | A1479-T1484 VanDerWaalsContact CB-OG1 3.26Å; A1479-T1484 WeakPolarHBondContact CB-OG1 3.47Å; D1481-T1484 PolarHBondContact N-OG1 2.61Å; D1481-T1484 PolarHBondContact O-N 3.29Å; D1481-T1484 PolarHBondContact O-OG1 2.74Å; D1481-T1484 WeakPolarHBondContact OD1-CB 3.48Å; D1481-T1484 WeakPolarHBondContact OD1-CG2 3.35Å; D1481-T1484 PolarHBondContact OD1-OG1 2.92Å; D1481-T1484 PolarHBondContact OD2-N 3.43Å; D1482-T1484 PolarHBondContact O-N 3.01Å; T1484-A1487 PolarHBondContact O-N 3.37Å; T1484-M1488 WeakPolarHBondContact O-CB 3.01Å; T1484-M1488 WeakPolarHBondContact O-CG 3.34Å; T1484-M1488 PolarHBondContact O-N 2.95Å |
| 1485 | A | 81.9 | Confident | 77.1 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | W1453 V1455 A1477 A1479 D1481 D1482 A1487 M1488 V1489 | W1453-A1485 HydrophobicContact CB-CB 3.29Å; W1453-A1485 HydrophobicContact CD2-CB 4.25Å; W1453-A1485 HydrophobicContact CG-CB 3.48Å; W1453-A1485 VanDerWaalsContact CG-CB 3.48Å; V1455-A1485 HydrophobicContact CG2-CB 4.08Å; A1477-A1485 HydrophobicContact CB-CB 4.26Å; A1479-A1485 HydrophobicContact CB-CB 3.8Å; D1481-A1485 PolarHBondContact O-N 3.39Å; D1481-A1485 VanDerWaalsContact O-N 3.08Å; D1482-A1485 WeakPolarHBondContact O-CB 3.36Å; D1482-A1485 PolarHBondContact O-N 3.01Å; A1485-A1487 VanDerWaalsContact C-N 3.33Å; A1485-A1487 PolarHBondContact O-N 3.39Å; A1485-M1488 PolarHBondContact O-N 3.17Å; A1485-V1489 WeakPolarHBondContact O-CG2 3.44Å; A1485-V1489 PolarHBondContact O-N 3.35Å |
| 1486 | K | 81.5 | Confident | 75.9 | Confident | 73 Ų | 73 | 62.5 Ų | 62.5 | 32% | 0.317 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 173.8 | -84.2 | 179.8 | -177.8 | 122.4 | 0 | 111.7 | A1414 V1455 D1482 M1483 V1489 N1490 | A1414-K1486 HydrophobicContact CB-CG 4.22Å; A1414-K1486 WeakPolarHBondContact O-CE 3.41Å; A1414-K1486 PolarHBondContact O-NZ 3.43Å; V1455-K1486 HydrophobicContact CG1-CB 4.49Å; V1455-K1486 HydrophobicContact CG1-CG 3.73Å; V1455-K1486 HydrophobicContact CG2-CG 4.31Å; D1482-K1486 PolarHBondContact O-N 3.38Å; D1482-K1486 WeakPolarHBondContact OD1-CE 3.45Å; D1482-K1486 IonicContact OD1-NZ 3.96Å; D1482-K1486 PolarHBondContact OD1-NZ 2.83Å; D1482-K1486 IonicContact OD2-NZ 3.91Å; M1483-K1486 PolarHBondContact O-N 2.83Å; K1486-V1489 PolarHBondContact O-N 2.96Å; K1486-N1490 WeakPolarHBondContact O-CB 3.43Å; K1486-N1490 PolarHBondContact O-N 2.9Å |
| 1487 | A | 79.5 | Confident | 74.6 | Confident | 48 Ų | 48 | 62.5 Ų | 62.5 | 40% | 0.397 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1483 T1484 A1485 V1489 N1490 I1491 | M1483-A1487 WeakPolarHBondContact O-CB 3.34Å; M1483-A1487 PolarHBondContact O-N 3.31Å; T1484-A1487 PolarHBondContact O-N 3.37Å; A1485-A1487 VanDerWaalsContact C-N 3.33Å; A1485-A1487 PolarHBondContact O-N 3.39Å; A1487-V1489 PolarHBondContact O-N 3.34Å; A1487-N1490 PolarHBondContact O-N 3.17Å; A1487-I1491 VanDerWaalsContact O-CG1 3.25Å; A1487-I1491 WeakPolarHBondContact O-CG1 3.44Å; A1487-I1491 PolarHBondContact O-N 3.22Å |
| 1488 | M | 78.4 | Confident | 73.2 | Confident | 98 Ų | 98 | 68.9 Ų | 68.9 | 48% | 0.483 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 177 | -78.6 | -175 | 175.1 | 0 | 0 | 112.5 | A1477 A1479 T1484 A1485 I1491 F1492 | A1477-M1488 HydrophobicContact CB-CB 3.76Å; A1477-M1488 HydrophobicContact CB-SD 4.21Å; A1479-M1488 HydrophobicContact CB-SD 4.4Å; T1484-M1488 WeakPolarHBondContact O-CB 3.01Å; T1484-M1488 WeakPolarHBondContact O-CG 3.34Å; T1484-M1488 PolarHBondContact O-N 2.95Å; A1485-M1488 PolarHBondContact O-N 3.17Å; M1488-I1491 PolarHBondContact O-N 3.38Å; M1488-F1492 PolarHBondContact O-N 3.28Å |
| 1489 | V | 81.5 | Confident | 71.3 | Confident | 3 Ų | 3 | 70.1 Ų | 70.1 | 2% | 0.018 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 176.8 | 167.8 | 0 | 0 | 0 | 0 | 111.3 | V1455 R1474 A1477 A1485 K1486 A1487 I1491 F1492 Q1493 | V1455-V1489 HydrophobicContact CB-CB 4.15Å; V1455-V1489 HydrophobicContact CB-CG1 4.18Å; V1455-V1489 HydrophobicContact CB-CG2 3.92Å; V1455-V1489 HydrophobicContact CG1-CB 4.35Å; V1455-V1489 HydrophobicContact CG1-CG1 4.25Å; V1455-V1489 HydrophobicContact CG2-CB 4.19Å; V1455-V1489 HydrophobicContact CG2-CG2 3.72Å; R1474-V1489 VanDerWaalsContact O-CG1 3.24Å; R1474-V1489 WeakPolarHBondContact O-CG1 3.49Å; A1477-V1489 HydrophobicContact CB-CG2 3.91Å; A1485-V1489 WeakPolarHBondContact O-CG2 3.44Å; A1485-V1489 PolarHBondContact O-N 3.35Å; K1486-V1489 PolarHBondContact O-N 2.96Å; A1487-V1489 PolarHBondContact O-N 3.34Å; V1489-I1491 PolarHBondContact O-N 3.35Å; V1489-F1492 PolarHBondContact O-N 3.27Å; V1489-Q1493 WeakPolarHBondContact O-CG 3.48Å; V1489-Q1493 PolarHBondContact O-N 2.99Å |
| 1490 | N | 79.3 | Confident | 69.4 | Low | 69 Ų | 69 | 73.8 Ų | 73.8 | 37% | 0.369 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 175.7 | -82.7 | -3.4 | 0 | 0 | 0 | 112.5 | K1486 A1487 F1492 Q1493 N1494 | K1486-N1490 WeakPolarHBondContact O-CB 3.43Å; K1486-N1490 PolarHBondContact O-N 2.9Å; A1487-N1490 PolarHBondContact O-N 3.17Å; N1490-F1492 VanDerWaalsContact C-N 3.34Å; N1490-Q1493 PolarHBondContact O-N 3.29Å; N1490-N1494 WeakPolarHBondContact O-CB 3.36Å; N1490-N1494 PolarHBondContact O-N 3.3Å |
| 1491 | I | 77.8 | Confident | 67.5 | Low | 115 Ų | 115 | 78 Ų | 78 | 59% | 0.59 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.3 | -43.8 | 174.7 | -68.5 | 163.1 | 0 | 0 | 0 | 110.4 | A1487 M1488 V1489 Q1493 N1494 S1495 | A1487-I1491 VanDerWaalsContact O-CG1 3.25Å; A1487-I1491 WeakPolarHBondContact O-CG1 3.44Å; A1487-I1491 PolarHBondContact O-N 3.22Å; M1488-I1491 PolarHBondContact O-N 3.38Å; V1489-I1491 PolarHBondContact O-N 3.35Å; I1491-Q1493 PolarHBondContact O-N 3.4Å; I1491-N1494 PolarHBondContact O-N 3.45Å; I1491-S1495 WeakPolarHBondContact O-CB 3.32Å; I1491-S1495 PolarHBondContact O-N 3.41Å |
| 1492 | F | 67.3 | Low | 65.1 | Low | 120 Ų | 120 | 79.7 Ų | 79.7 | 53% | 0.526 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 178.8 | -146.5 | -89.7 | 0 | 0 | 0 | 112.1 | M1488 V1489 N1490 L1496 | M1488-F1492 PolarHBondContact O-N 3.28Å; V1489-F1492 PolarHBondContact O-N 3.27Å; N1490-F1492 VanDerWaalsContact C-N 3.34Å; F1492-L1496 HydrophobicContact CD1-CD1 4.03Å; F1492-L1496 HydrophobicContact CE1-CD1 4.2Å; F1492-L1496 PolarHBondContact O-N 3.16Å |
| 1493 | Q | 70.7 | Confident | 62.9 | Low | 53 Ų | 53 | 84 Ų | 84 | 25% | 0.248 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 173.4 | -75.2 | -172.3 | -9.8 | 0 | 0 | 112.2 | V1489 N1490 I1491 L1496 A1497 | V1489-Q1493 WeakPolarHBondContact O-CG 3.48Å; V1489-Q1493 PolarHBondContact O-N 2.99Å; N1490-Q1493 PolarHBondContact O-N 3.29Å; I1491-Q1493 PolarHBondContact O-N 3.4Å; Q1493-L1496 PolarHBondContact O-N 3.05Å; Q1493-A1497 WeakPolarHBondContact O-CB 3.43Å; Q1493-A1497 PolarHBondContact O-N 2.97Å |
| 1494 | N | 72.3 | Confident | 60.2 | Low | 101 Ų | 101 | 81.4 Ų | 81.4 | 54% | 0.54 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 178.5 | -73.6 | -10.6 | 0 | 0 | 0 | 112 | N1490 I1491 L1496 A1497 E1498 | N1490-N1494 WeakPolarHBondContact O-CB 3.36Å; N1490-N1494 PolarHBondContact O-N 3.3Å; I1491-N1494 PolarHBondContact O-N 3.45Å; N1494-L1496 VanDerWaalsContact C-N 3.34Å; N1494-L1496 PolarHBondContact O-N 3.46Å; N1494-A1497 CarbonylContact O-C 3.53Å; N1494-A1497 WeakPolarHBondContact O-CB 3.47Å; N1494-A1497 PolarHBondContact O-N 2.95Å; N1494-A1497 VanDerWaalsContact O-N 3.13Å; N1494-E1498 PolarHBondContact O-N 3.5Å |
| 1495 | S | 64.5 | Low | 57.5 | Low | 61 Ų | 61 | 84.4 Ų | 84.4 | 43% | 0.427 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 176.5 | -173.8 | 0 | 0 | 0 | 0 | 112.4 | I1491 E1498 Q1499 | I1491-S1495 WeakPolarHBondContact O-CB 3.32Å; I1491-S1495 PolarHBondContact O-N 3.41Å; S1495-E1498 PolarHBondContact O-N 3.34Å; S1495-Q1499 PolarHBondContact O-N 2.91Å; S1495-Q1499 VanDerWaalsContact O-N 3.11Å |
| 1496 | L | 52.4 | Low | 54.8 | Low | 77 Ų | 77 | 93.4 Ų | 93.4 | 40% | 0.403 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.4 | -34.8 | 172.1 | -82.2 | 161.3 | 0 | 0 | 0 | 112.5 | R1474 F1492 Q1493 N1494 S1500 | R1474-L1496 HydrophobicContact CG-CD1 3.99Å; F1492-L1496 HydrophobicContact CD1-CD1 4.03Å; F1492-L1496 HydrophobicContact CE1-CD1 4.2Å; F1492-L1496 PolarHBondContact O-N 3.16Å; Q1493-L1496 PolarHBondContact O-N 3.05Å; N1494-L1496 VanDerWaalsContact C-N 3.34Å; N1494-L1496 PolarHBondContact O-N 3.46Å; L1496-S1500 PolarHBondContact O-N 3.28Å; L1496-S1500 PolarHBondContact O-OG 2.81Å |
| 1497 | A | 52.9 | Low | 52.2 | Low | 36 Ų | 36 | 95.8 Ų | 95.8 | 30% | 0.298 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.1 | -34.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1493 N1494 S1500 K1501 | Q1493-A1497 WeakPolarHBondContact O-CB 3.43Å; Q1493-A1497 PolarHBondContact O-N 2.97Å; N1494-A1497 CarbonylContact O-C 3.53Å; N1494-A1497 WeakPolarHBondContact O-CB 3.47Å; N1494-A1497 PolarHBondContact O-N 2.95Å; N1494-A1497 VanDerWaalsContact O-N 3.13Å; A1497-S1500 WeakPolarHBondContact CA-OG 3.36Å; A1497-S1500 PolarHBondContact O-N 3.5Å; A1497-S1500 PolarHBondContact O-OG 3.07Å; A1497-K1501 WeakPolarHBondContact O-CB 3.49Å; A1497-K1501 WeakPolarHBondContact O-CG 3.5Å; A1497-K1501 PolarHBondContact O-N 3.05Å |
| 1498 | E | 47.7 | Very low | 49.4 | Very low | 143 Ų | 143 | 100.9 Ų | 100.9 | 67% | 0.668 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.2 | -37.5 | 175.2 | -77.3 | -179.4 | 175.4 | 0 | 0 | 112.3 | N1494 S1495 S1500 K1501 S1502 | N1494-E1498 PolarHBondContact O-N 3.5Å; S1495-E1498 PolarHBondContact O-N 3.34Å; E1498-S1500 PolarHBondContact O-N 3.19Å; E1498-K1501 PolarHBondContact O-N 3.23Å; E1498-S1502 PolarHBondContact O-N 3.33Å |
| 1499 | Q | 40.9 | Very low | 46.9 | Very low | 142 Ų | 142 | 103.3 Ų | 103.3 | 66% | 0.664 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.4 | -22.5 | 171.7 | -75.5 | -170.7 | -1.7 | 0 | 0 | 113.3 | S1495 | S1495-Q1499 PolarHBondContact O-N 2.91Å; S1495-Q1499 VanDerWaalsContact O-N 3.11Å |
| 1500 | S | 39 | Very low | 44.4 | Very low | 76 Ų | 76 | 112.6 Ų | 112.6 | 53% | 0.531 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -91.9 | -24.2 | 173.8 | 42.3 | 0 | 0 | 0 | 0 | 113.3 | L1496 A1497 E1498 | L1496-S1500 PolarHBondContact O-N 3.28Å; L1496-S1500 PolarHBondContact O-OG 2.81Å; A1497-S1500 WeakPolarHBondContact CA-OG 3.36Å; A1497-S1500 PolarHBondContact O-N 3.5Å; A1497-S1500 PolarHBondContact O-OG 3.07Å; E1498-S1500 PolarHBondContact O-N 3.19Å |
| 1501 | K | 35.2 | Very low | 41.7 | Very low | 156 Ų | 156 | 117.5 Ų | 117.5 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -82.5 | -16.9 | 178.5 | -77.7 | -178.4 | 179 | 179.7 | 0 | 114.9 | A1497 E1498 S1503 | A1497-K1501 WeakPolarHBondContact O-CB 3.49Å; A1497-K1501 WeakPolarHBondContact O-CG 3.5Å; A1497-K1501 PolarHBondContact O-N 3.05Å; E1498-K1501 PolarHBondContact O-N 3.23Å; K1501-S1503 PolarHBondContact O-N 3.5Å; K1501-S1503 VanDerWaalsContact O-N 3.17Å |
| 1502 | S | 29.3 | Very low | 39.2 | Very low | 101 Ų | 101 | 118.3 Ų | 118.3 | 71% | 0.706 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -3.9 | 172.6 | 60.7 | 0 | 0 | 0 | 0 | 114.2 | E1498 | E1498-S1502 PolarHBondContact O-N 3.33Š|
| 1503 | S | 28.5 | Very low | 37.2 | Very low | 107 Ų | 107 | 119.1 Ų | 119.1 | 75% | 0.748 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 5.6 | 179.5 | -56.1 | 0 | 0 | 0 | 0 | 114.9 | K1501 | K1501-S1503 PolarHBondContact O-N 3.5Å; K1501-S1503 VanDerWaalsContact O-N 3.17Å |
| 1504 | A | 24.3 | Very low | 35.1 | Very low | 83 Ų | 83 | 125.8 Ų | 125.8 | 69% | 0.686 | 69% | 0.688 | S | S | * | * | trans | -142.4 | 57.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1505 | S | 22.6 | Very low | 32.9 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | trans | -125.4 | 70.2 | 164.9 | -65.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 1506 | Q | 26.3 | Very low | 31.1 | Very low | 189 Ų | 189 | 131.8 Ų | 131.8 | 88% | 0.883 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -164.7 | 133.8 | 161.7 | -107.7 | 167 | 24.4 | 0 | 0 | 109.3 | ||
| 1507 | S | 25.1 | Very low | 30.1 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | trans | 81.9 | 79.2 | 174.1 | 73.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1508 | I | 22.7 | Very low | 28.9 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 80% | 0.795 | 76% | 0.757 | S | S | * | * | trans | -86 | 149 | 144.5 | -72.2 | 167.1 | 0 | 0 | 0 | 107.5 | ||||
| 1509 | N | 25.6 | Very low | 28.3 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | 94.1 | 98.7 | 170.8 | -65.2 | -24.2 | 0 | 0 | 0 | 118.9 | ||||
| 1510 | K | 27.6 | Very low | 28.2 | Very low | 197 Ų | 197 | 139.4 Ų | 139.4 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | 172.9 | 101.3 | 122.7 | -94.7 | 169.5 | 179.8 | -179.3 | 0 | 108.3 | |||||
| 1511 | H | 23.6 | Very low | 27.9 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | 67.6 | 104.7 | 102.7 | -98.2 | -77.4 | 0 | 0 | 0 | 115.3 | |||||
| 1512 | N | 24.4 | Very low | 27.8 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | 50.7 | 142.2 | 125.9 | -92.4 | 17.4 | 0 | 0 | 0 | 123.1 | |||||
| 1513 | D | 26.1 | Very low | 27.7 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | 85.6 | 99.1 | 152 | -54.4 | -27.4 | 0 | 0 | 0 | 118.3 | ||||
| 1514 | Q | 26.3 | Very low | 28 | Very low | 192 Ų | 192 | 144.6 Ų | 144.6 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | -174.8 | 152.4 | 104.5 | -97 | -171.8 | -17.2 | 0 | 0 | 112.6 | |||||
| 1515 | P | 26 | Very low | 28.2 | Very low | 95 Ų | 95 | 147.6 Ų | 147.6 | 62% | 0.617 | 79% | 0.793 | S | S | * | * | trans | -128 | 90.5 | -150.1 | 35.2 | -14.2 | 0 | 0 | 0 | 112.6 | ||||
| 1516 | F | 25.8 | Very low | 28.4 | Very low | 193 Ų | 193 | 149.1 Ų | 149.1 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -155.4 | 93.9 | 162.2 | -75.1 | -67.6 | 0 | 0 | 0 | 110.9 | I1518 | F1516-I1518 PolarHBondContact O-N 3.04Š| ||
| 1517 | P | 32.7 | Very low | 28.6 | Very low | 126 Ų | 126 | 148.2 Ų | 148.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -79.6 | 118.2 | 180 | 29.1 | -29.9 | 0 | 0 | 0 | 111.7 | ||||
| 1518 | I | 27.9 | Very low | 28.7 | Very low | 162 Ų | 162 | 145.2 Ų | 145.2 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | trans | -87 | 118.9 | 173.5 | -65.2 | 159.7 | 0 | 0 | 0 | 108.1 | F1516 | F1516-I1518 PolarHBondContact O-N 3.04Š| ||
| 1519 | V | 34.7 | Very low | 28.8 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 67% | 0.673 | 78% | 0.783 | S | S | * | * | trans | -123.6 | 112.7 | 169.4 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | G1521 | V1519-G1521 PolarHBondContact O-N 2.91Š| ||
| 1520 | N | 38.3 | Very low | 28.9 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56.3 | 42.6 | 163.5 | -60.3 | -13.1 | 0 | 0 | 0 | 118.5 | K1522 | N1520-K1522 PolarHBondContact O-N 3.28Š|
| 1521 | G | 33 | Very low | 28.8 | Very low | 73 Ų | 73 | 141.8 Ų | 141.8 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.1 | 11.8 | 151.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | V1519 | V1519-G1521 PolarHBondContact O-N 2.91Š|
| 1522 | K | 32.2 | Very low | 28.9 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -136.3 | 126.5 | 160.2 | -77.4 | -170 | 176.7 | -177.8 | 0 | 111.4 | N1520 | N1520-K1522 PolarHBondContact O-N 3.28Š| ||
| 1523 | I | 29 | Very low | 28.9 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | trans | -76.5 | 119 | 174.1 | -61.8 | 163.4 | 0 | 0 | 0 | 106.6 | I1525 | I1523-I1525 HydrophobicContact CG2-CG1 4.29Š| ||
| 1524 | V | 34 | Very low | 28.8 | Very low | 129 Ų | 129 | 141 Ų | 141 | 78% | 0.782 | 77% | 0.77 | S | S | * | * | trans | -99.1 | 114.7 | 171.9 | 179 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1525 | I | 28.4 | Very low | 28.7 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | -87.7 | 124.7 | 169.6 | -64.5 | 172.3 | 0 | 0 | 0 | 106.5 | I1523 | I1523-I1525 HydrophobicContact CG2-CG1 4.29Š| ||
| 1526 | N | 27 | Very low | 28.5 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | trans | -64.8 | 135.2 | 172.5 | -94.5 | 6.2 | 0 | 0 | 0 | 110.9 | ||||
| 1527 | D | 30.9 | Very low | 28.4 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | trans | -160.4 | 130.2 | 147.8 | -89.4 | -29.2 | 0 | 0 | 0 | 104 | ||||
| 1528 | G | 27.1 | Very low | 28.1 | Very low | 59 Ų | 59 | 137 Ų | 137 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | cis | 165.5 | 129.4 | 5.8 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 1529 | T | 25.2 | Very low | 27.9 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | 50.9 | 119.2 | 149.4 | 62 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1530 | I | 27.6 | Very low | 27.4 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | -176.9 | 103.5 | 118.5 | -82 | 145.8 | 0 | 0 | 0 | 107.3 | |||||
| 1531 | D | 25.5 | Very low | 26.7 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 14.7 | 133.2 | 137.3 | -66 | -31.4 | 0 | 0 | 0 | 121.3 | ||||
| 1532 | E | 24.4 | Very low | 26.3 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | 89.1 | 122.2 | 126.9 | -81 | -172 | -161.9 | 0 | 0 | 121.1 | |||||
| 1533 | N | 25.4 | Very low | 25.9 | Very low | 112 Ų | 112 | 144.9 Ų | 144.9 | 60% | 0.599 | 77% | 0.767 | S | S | * | * | trans | 90.8 | 108.7 | 133.6 | -63.9 | -21.3 | 0 | 0 | 0 | 120.2 | ||||
| 1534 | Q | 24.4 | Very low | 25.6 | Very low | 162 Ų | 162 | 144.6 Ų | 144.6 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | 90.8 | 131.4 | 121.8 | -69.6 | 176.8 | 20.6 | 0 | 0 | 120.9 | |||||
| 1535 | S | 22.3 | Very low | 25 | Very low | 93 Ų | 93 | 148.5 Ų | 148.5 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | trans | 60.2 | 108.7 | 141.1 | 59.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1536 | I | 23.1 | Very low | 24.7 | Very low | 156 Ų | 156 | 147 Ų | 147 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | 66.4 | 102 | 86.7 | -63 | 168.2 | 0 | 0 | 0 | 112.6 | |||||
| 1537 | L | 23 | Very low | 24.8 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | trans | 71.1 | 115.6 | 131.9 | -144.7 | 84.7 | 0 | 0 | 0 | 118.4 | ||||
| 1538 | T | 27.5 | Very low | 24.5 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | 157.6 | 116.4 | 134.1 | 41.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1539 | K | 23.6 | Very low | 24.4 | Very low | 190 Ų | 190 | 148.1 Ų | 148.1 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | 57.5 | 109.6 | 104.3 | -71.4 | 178.8 | 179.6 | 173.7 | 0 | 113 | |||||
| 1540 | K | 23.2 | Very low | 24.6 | Very low | 172 Ų | 172 | 149.7 Ų | 149.7 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | 102 | 112.7 | 72.4 | -166.8 | 176.8 | -172.1 | -174.2 | 0 | 109.9 | |||||
| 1541 | D | 23.3 | Very low | 24.6 | Very low | 127 Ų | 127 | 148.9 Ų | 148.9 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | trans | 46.9 | 111.4 | 149.5 | -48.3 | -26.5 | 0 | 0 | 0 | 119.2 | ||||
| 1542 | H | 25.3 | Very low | 24.7 | Very low | 201 Ų | 201 | 148.5 Ų | 148.5 | 93% | 0.931 | 76% | 0.762 | S | S | * | * | trans | -145.5 | 123.9 | 139.6 | -100.7 | -68.4 | 0 | 0 | 0 | 110.5 | ||||
| 1543 | L | 24.1 | Very low | 25 | Very low | 165 Ų | 165 | 148.9 Ų | 148.9 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | -70.3 | 137.8 | 163.9 | -103.8 | 64.4 | 0 | 0 | 0 | 109.3 | ||||
| 1544 | E | 22.3 | Very low | 25 | Very low | 157 Ų | 157 | 151.4 Ų | 151.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -142.4 | 117.7 | 152.4 | -99.3 | 179.9 | 166.5 | 0 | 0 | 106.7 | ||||
| 1545 | W | 20.5 | Very low | 25 | Very low | 211 Ų | 211 | 148.6 Ų | 148.6 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | 78.9 | 141.8 | 100.8 | -67.8 | 23 | 0 | 0 | 0 | 111.3 | |||||
| 1546 | D | 23.8 | Very low | 25.1 | Very low | 116 Ų | 116 | 150.6 Ų | 150.6 | 62% | 0.62 | 79% | 0.79 | S | S | * | * | cis | -170.2 | 141.6 | -0.1 | -97.5 | -27.7 | 0 | 0 | 0 | 104.7 | ||||
| 1547 | L | 28.5 | Very low | 25.2 | Very low | 172 Ų | 172 | 149.6 Ų | 149.6 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | trans | -148.7 | 115.1 | 157.4 | -82.6 | 179.2 | 0 | 0 | 0 | 109.1 | ||||
| 1548 | D | 25.5 | Very low | 25.2 | Very low | 159 Ų | 159 | 150.4 Ų | 150.4 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -51.6 | 164.5 | 166.9 | -45.1 | -67.3 | 0 | 0 | 0 | 111.9 | ||||
| 1549 | G | 24.4 | Very low | 24.9 | Very low | 64 Ų | 64 | 149.3 Ų | 149.3 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | cis | 173.5 | -177.2 | 13.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1550 | D | 27.9 | Very low | 24.9 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | 100.9 | 83.7 | 170 | -54.2 | -18.4 | 0 | 0 | 0 | 118.7 | ||||
| 1551 | D | 28.5 | Very low | 24.7 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | 39.4 | 135.9 | 121.7 | -86.9 | -10.4 | 0 | 0 | 0 | 125 | |||||
| 1552 | D | 28.6 | Very low | 24.7 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 66% | 0.658 | 78% | 0.782 | S | S | * | * | trans | 81.4 | 93.1 | 141.1 | -61.4 | -21.3 | 0 | 0 | 0 | 122.3 | ||||
| 1553 | N | 30 | Very low | 24.7 | Very low | 162 Ų | 162 | 139 Ų | 139 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | 171.4 | 117.3 | 93.8 | -90.8 | -62.2 | 0 | 0 | 0 | 112.4 | |||||
| 1554 | D | 25.2 | Very low | 24.6 | Very low | 165 Ų | 165 | 137.9 Ų | 137.9 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | -70.6 | 151 | 171.6 | -82 | -49.3 | 0 | 0 | 0 | 113.7 | ||||
| 1555 | A | 25.3 | Very low | 24.9 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -157.4 | 115 | 135.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1556 | N | 23.8 | Very low | 25.2 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | 98.4 | 77.8 | 141.8 | -137.5 | 17.4 | 0 | 0 | 0 | 120 | ||||
| 1557 | I | 24.1 | Very low | 25.3 | Very low | 135 Ų | 135 | 137 Ų | 137 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | 35.8 | 124 | 112.8 | -42.7 | 169.3 | 0 | 0 | 0 | 117.4 | |||||
| 1558 | Q | 23.7 | Very low | 25.5 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | 156.1 | 101.3 | 122.7 | -82.4 | 179.9 | 9.3 | 0 | 0 | 108.8 | |||||
| 1559 | S | 21.2 | Very low | 25.5 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | 87.7 | 132.5 | 86.6 | -67.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1560 | T | 23.6 | Very low | 25.6 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | 84.9 | 104.6 | 160 | 76.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1561 | S | 20.2 | Very low | 25.6 | Very low | 102 Ų | 102 | 147.2 Ų | 147.2 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | 84.1 | 125.3 | 76.1 | 148.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1562 | C | 22.6 | Very low | 25.6 | Very low | 108 Ų | 108 | 149 Ų | 149 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | trans | 89.2 | 118.2 | 142.5 | 83.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1563 | V | 24.9 | Very low | 25.6 | Very low | 129 Ų | 129 | 152.7 Ų | 152.7 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | 93.9 | 104.9 | 129.6 | 177.6 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 1564 | N | 23.2 | Very low | 25.7 | Very low | 143 Ų | 143 | 154.9 Ų | 154.9 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | trans | 3.1 | 116.5 | 138.4 | -79.3 | -15.5 | 0 | 0 | 0 | 117.3 | ||||
| 1565 | K | 28.1 | Very low | 26.1 | Very low | 210 Ų | 210 | 152.5 Ų | 152.5 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | trans | -132.4 | 122.8 | 141.4 | -97.8 | 179.3 | -179.2 | 170.2 | 0 | 110.5 | ||||
| 1566 | N | 26.2 | Very low | 26.8 | Very low | 135 Ų | 135 | 152.2 Ų | 152.2 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | -66.6 | 149.9 | -178.2 | -66 | -27 | 0 | 0 | 0 | 113.4 | ||||
| 1567 | D | 26 | Very low | 27.8 | Very low | 120 Ų | 120 | 150.6 Ų | 150.6 | 64% | 0.642 | 77% | 0.766 | S | S | * | * | trans | 46.4 | 104 | 136.9 | -73.9 | -49.3 | 0 | 0 | 0 | 120.7 | ||||
| 1568 | I | 32 | Very low | 28.8 | Very low | 171 Ų | 171 | 147.3 Ų | 147.3 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | trans | -138.5 | 105.4 | 134.5 | -56.8 | -176.2 | 0 | 0 | 0 | 109.3 | H1570 | I1568-H1570 PolarHBondContact O-N 3.36Š| ||
| 1569 | K | 25.2 | Very low | 29.9 | Very low | 184 Ų | 184 | 142.2 Ų | 142.2 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | trans | -67.9 | 124.1 | -177.3 | -76 | 171.1 | 178.1 | 165.7 | 0 | 113.2 | R1571 | K1569-R1571 PolarHBondContact O-N 2.74Š| ||
| 1570 | H | 27.6 | Very low | 31.4 | Very low | 172 Ų | 172 | 139 Ų | 139 | 80% | 0.796 | 71% | 0.713 | S | S | * | * | trans | -62.9 | 109.7 | 159.1 | -76.7 | -72.8 | 0 | 0 | 0 | 111.6 | I1568 K1572 | I1568-H1570 PolarHBondContact O-N 3.36Å; H1570-K1572 PolarHBondContact O-N 3.49Å; H1570-K1572 VanDerWaalsContact O-N 3.14Å | ||
| 1571 | R | 27.3 | Very low | 33 | Very low | 249 Ų | 249 | 140.2 Ų | 140.2 | 94% | 0.94 | 70% | 0.702 | S | S | * | * | trans | -84.2 | 81.2 | 167 | -146.9 | 172 | 177.9 | 174 | -0.8 | 109.5 | K1569 K1573 | K1569-R1571 PolarHBondContact O-N 2.74Å; R1571-K1573 PolarHBondContact O-N 3.05Å | ||
| 1572 | K | 28.5 | Very low | 34.9 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 80% | 0.796 | 69% | 0.69 | S | S | * | * | trans | -61.8 | 118.2 | 171.4 | -74.7 | 179.3 | 179.1 | 173.5 | 0 | 109.2 | H1570 K1574 | H1570-K1572 PolarHBondContact O-N 3.49Å; H1570-K1572 VanDerWaalsContact O-N 3.14Å; K1572-K1574 PolarHBondContact O-N 3.45Å; K1572-K1574 VanDerWaalsContact O-N 3.16Å | ||
| 1573 | K | 29.6 | Very low | 36.8 | Very low | 201 Ų | 201 | 135.7 Ų | 135.7 | 87% | 0.874 | 66% | 0.66 | S | S | * | * | trans | -62.4 | 113 | 176 | -79.9 | 177 | 176.2 | 173.3 | 0 | 109.7 | R1571 T1575 | R1571-K1573 PolarHBondContact O-N 3.05Å; K1573-T1575 PolarHBondContact O-N 2.92Å | ||
| 1574 | K | 31.2 | Very low | 38.3 | Very low | 208 Ų | 208 | 131.1 Ų | 131.1 | 90% | 0.904 | 64% | 0.636 | S | S | * | * | trans | -61 | 110.8 | 175.5 | -66.7 | -179.4 | 177.2 | -177.2 | 0 | 109.7 | K1572 | K1572-K1574 PolarHBondContact O-N 3.45Å; K1572-K1574 VanDerWaalsContact O-N 3.16Å | ||
| 1575 | T | 34.8 | Very low | 39.9 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 71% | 0.706 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 121.4 | 170 | 45.8 | 0 | 0 | 0 | 0 | 109.3 | K1573 | K1573-T1575 PolarHBondContact O-N 2.92Š|
| 1576 | I | 38.3 | Very low | 41.3 | Very low | 96 Ų | 96 | 121.6 Ų | 121.6 | 49% | 0.492 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 133.1 | 175.7 | -57.6 | 167.8 | 0 | 0 | 0 | 108.8 | I1578 I1610 | I1576-I1578 PolarHBondContact O-N 3.04Å; I1576-I1610 HydrophobicContact CG2-CD1 4.09Å |
| 1577 | P | 44.5 | Very low | 42.6 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 66% | 0.662 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 124.3 | 179.7 | -10.8 | 25.9 | 0 | 0 | 0 | 110.3 | ||
| 1578 | I | 45.3 | Very low | 43.6 | Very low | 65 Ų | 65 | 121.2 Ų | 121.2 | 33% | 0.333 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -83.8 | 121.8 | 175.7 | -59.1 | 168.8 | 0 | 0 | 0 | 107.8 | I1576 G1580 R1581 L1629 | I1576-I1578 PolarHBondContact O-N 3.04Å; I1578-G1580 PolarHBondContact O-N 3.29Å; I1578-R1581 WeakPolarHBondContact O-CB 3.22Å; I1578-R1581 PolarHBondContact O-N 2.73Å; I1578-R1581 VanDerWaalsContact O-N 3.12Å; I1578-L1629 HydrophobicContact CG2-CD2 4.29Å |
| 1579 | P | 46.9 | Very low | 44.4 | Very low | 63 Ų | 63 | 125.7 Ų | 125.7 | 41% | 0.409 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.7 | 132.2 | 170.5 | -22.9 | 33.6 | 0 | 0 | 0 | 109.9 | V1604 | P1579-V1604 HydrophobicContact CB-CG1 4.4Š|
| 1580 | G | 54 | Low | 45.5 | Very low | 28 Ų | 28 | 118.8 Ų | 118.8 | 29% | 0.289 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 102.8 | -27 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | I1578 I1582 Y1583 A1584 | I1578-G1580 PolarHBondContact O-N 3.29Å; G1580-I1582 PolarHBondContact O-N 3.46Å; G1580-I1582 VanDerWaalsContact O-N 3.07Å; G1580-Y1583 WeakPolarHBondContact O-CA 3.15Å; G1580-Y1583 WeakPolarHBondContact O-CB 3.22Å; G1580-Y1583 PolarHBondContact O-N 3.03Å; G1580-A1584 PolarHBondContact O-N 3.19Å |
| 1581 | R | 56.4 | Low | 47.3 | Very low | 161 Ų | 161 | 114.8 Ų | 114.8 | 61% | 0.608 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -19.2 | -179.2 | -150.2 | -179.3 | -163.4 | 177.2 | 5.4 | 113.7 | I1578 Y1583 A1584 | I1578-R1581 WeakPolarHBondContact O-CB 3.22Å; I1578-R1581 PolarHBondContact O-N 2.73Å; I1578-R1581 VanDerWaalsContact O-N 3.12Å; R1581-Y1583 VanDerWaalsContact C-N 3.31Å; R1581-A1584 HydrophobicContact CG-CB 4.47Å; R1581-A1584 PolarHBondContact O-N 3.35Å |
| 1582 | I | 59.2 | Low | 48.8 | Very low | 89 Ų | 89 | 107.1 Ų | 107.1 | 46% | 0.456 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -25.1 | 170.3 | 39.8 | 166.2 | 0 | 0 | 0 | 113 | G1580 R1594 M1597 | G1580-I1582 PolarHBondContact O-N 3.46Å; G1580-I1582 VanDerWaalsContact O-N 3.07Å; I1582-R1594 PolarHBondContact O-NE 2.88Å; I1582-R1594 PolarHBondContact O-NH1 2.88Å; I1582-R1594 PolarHBondContact O-NH2 3.47Å; I1582-M1597 HydrophobicContact CD1-CE 3.91Å |
| 1583 | Y | 63.1 | Low | 50.4 | Low | 26 Ų | 26 | 105.2 Ų | 105.2 | 10% | 0.102 | 54% | 0.542 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -23.8 | 171.8 | -58 | -78.7 | 0 | 0 | 0 | 112.2 | G1580 R1581 S1585 M1592 M1597 P1598 P1600 | G1580-Y1583 WeakPolarHBondContact O-CA 3.15Å; G1580-Y1583 WeakPolarHBondContact O-CB 3.22Å; G1580-Y1583 PolarHBondContact O-N 3.03Å; R1581-Y1583 VanDerWaalsContact C-N 3.31Å; Y1583-S1585 PolarHBondContact O-N 3Å; Y1583-M1592 VanDerWaalsContact O-CG 3.24Å; Y1583-M1592 WeakPolarHBondContact O-CG 3.39Å; Y1583-M1592 PolarHBondContact O-N 3.15Å; Y1583-M1597 HydrophobicContact CE1-CB 3.58Å; Y1583-M1597 HydrophobicContact CE1-CG 4.37Å; Y1583-P1598 WeakPolarHBondContact CE1-O 3.49Å; Y1583-P1598 PolarHBondContact OH-O 3.37Å; Y1583-P1598 VanDerWaalsContact OH-O 3.06Å; Y1583-P1600 HydrophobicContact CD1-CB 4.47Å; Y1583-P1600 HydrophobicContact CG-CB 4.21Å |
| 1584 | A | 56.1 | Low | 52 | Low | 32 Ų | 32 | 101.5 Ų | 101.5 | 26% | 0.264 | 52% | 0.522 | S | S | . | . | B | Isolated β-bridge | trans | -63.1 | 124.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1580 R1581 | G1580-A1584 PolarHBondContact O-N 3.19Å; R1581-A1584 HydrophobicContact CG-CB 4.47Å; R1581-A1584 PolarHBondContact O-N 3.35Å |
| 1585 | S | 57.1 | Low | 53.4 | Low | 23 Ų | 23 | 96.8 Ų | 96.8 | 16% | 0.161 | 52% | 0.522 | C | S | . | . | trans | -72.4 | 139.6 | 170.2 | 176 | 0 | 0 | 0 | 0 | 110.5 | Y1583 K1587 A1588 G1590 M1592 | Y1583-S1585 PolarHBondContact O-N 3Å; S1585-K1587 PolarHBondContact O-N 2.91Å; S1585-K1587 PolarHBondContact OG-N 3.14Å; S1585-A1588 VanDerWaalsContact CB-O 3.26Å; S1585-A1588 WeakPolarHBondContact CB-O 3.39Å; S1585-A1588 PolarHBondContact OG-N 2.71Å; S1585-A1588 VanDerWaalsContact OG-N 3.1Å; S1585-G1590 PolarHBondContact N-O 3.38Å; S1585-M1592 WeakPolarHBondContact CB-SD 3.48Å | ||
| 1586 | S | 57.5 | Low | 54.6 | Low | 130 Ų | 130 | 95.4 Ų | 95.4 | 91% | 0.909 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -64.1 | -19.6 | 168 | 62.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1587 | K | 54.2 | Low | 55.7 | Low | 198 Ų | 198 | 95 Ų | 95 | 86% | 0.861 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -100.5 | -37 | -177.2 | -82.9 | 177.2 | 175.2 | 168.2 | 0 | 114.1 | S1585 | S1585-K1587 PolarHBondContact O-N 2.91Å; S1585-K1587 PolarHBondContact OG-N 3.14Å |
| 1588 | A | 47.8 | Very low | 56.1 | Low | 50 Ų | 50 | 94.2 Ų | 94.2 | 41% | 0.413 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -113.6 | 120.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | S1585 G1590 | S1585-A1588 VanDerWaalsContact CB-O 3.26Å; S1585-A1588 WeakPolarHBondContact CB-O 3.39Å; S1585-A1588 PolarHBondContact OG-N 2.71Å; S1585-A1588 VanDerWaalsContact OG-N 3.1Å; A1588-G1590 PolarHBondContact O-N 3.25Å; A1588-G1590 VanDerWaalsContact O-O 3.13Å |
| 1589 | R | 47.3 | Very low | 56.4 | Low | 264 Ų | 264 | 96.8 Ų | 96.8 | 100% | 0.996 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -66.1 | 15.6 | 179.8 | -70.6 | -177 | 171.1 | -170.6 | -2.3 | 114.3 | ||
| 1590 | G | 48.8 | Very low | 56.8 | Low | 40 Ų | 40 | 95.9 Ų | 95.9 | 41% | 0.412 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -113.5 | 165.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1585 A1588 | S1585-G1590 PolarHBondContact N-O 3.38Å; A1588-G1590 PolarHBondContact O-N 3.25Å; A1588-G1590 VanDerWaalsContact O-O 3.13Å |
| 1591 | D | 66.1 | Low | 56.3 | Low | 88 Ų | 88 | 103.9 Ų | 103.9 | 47% | 0.471 | 55% | 0.554 | S | S | . | * | B | Isolated β-bridge | trans | -75 | 139.6 | -178.6 | -60.3 | -42.6 | 0 | 0 | 0 | 111.5 | P1600 | D1591-P1600 HydrophobicContact CB-CB 3.78Å; D1591-P1600 HydrophobicContact CB-CG 4.14Å |
| 1592 | M | 57.1 | Low | 55.5 | Low | 87 Ų | 87 | 98.1 Ų | 98.1 | 43% | 0.429 | 54% | 0.542 | S | S | . | . | trans | -125.8 | 131.1 | 173.2 | 39.5 | 169.9 | 52.4 | 0 | 0 | 110.7 | Y1583 S1585 R1594 | Y1583-M1592 VanDerWaalsContact O-CG 3.24Å; Y1583-M1592 WeakPolarHBondContact O-CG 3.39Å; Y1583-M1592 PolarHBondContact O-N 3.15Å; S1585-M1592 WeakPolarHBondContact CB-SD 3.48Å; M1592-R1594 PolarHBondContact O-N 3.45Å | ||
| 1593 | K | 63.8 | Low | 54.7 | Low | 144 Ų | 144 | 99.9 Ų | 99.9 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 119.2 | 174.4 | -174.7 | 169.7 | -176.3 | 160.9 | 0 | 109.4 | E1599 | K1593-E1599 IonicContact NZ-OE1 2.76Å; K1593-E1599 PolarHBondContact NZ-OE1 2.79Å |
| 1594 | R | 61.6 | Low | 53.5 | Low | 123 Ų | 123 | 103.1 Ų | 103.1 | 46% | 0.464 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -99.8 | 141.1 | 171.2 | -69.9 | -172.3 | -178.3 | -179.7 | 7.6 | 109.3 | I1582 M1592 G1596 M1597 | I1582-R1594 PolarHBondContact O-NE 2.88Å; I1582-R1594 PolarHBondContact O-NH1 2.88Å; I1582-R1594 PolarHBondContact O-NH2 3.47Å; M1592-R1594 PolarHBondContact O-N 3.45Å; R1594-G1596 PolarHBondContact O-N 2.83Å; R1594-M1597 HydrophobicContact CB-CB 4.49Å; R1594-M1597 HydrophobicContact CB-CG 4.48Å; R1594-M1597 PolarHBondContact O-N 3.18Å |
| 1595 | A | 60.9 | Low | 52.6 | Low | 108 Ų | 108 | 105 Ų | 105 | 89% | 0.893 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | 134.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 1596 | G | 61 | Low | 51.7 | Low | 87 Ų | 87 | 108.7 Ų | 108.7 | 90% | 0.897 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.5 | 2.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | R1594 | R1594-G1596 PolarHBondContact O-N 2.83Š|
| 1597 | M | 61.6 | Low | 50.8 | Low | 88 Ų | 88 | 105.8 Ų | 105.8 | 43% | 0.433 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -115.6 | 146.1 | 176.7 | -73.3 | -74.1 | -154.9 | 0 | 0 | 111.6 | I1582 Y1583 R1594 | I1582-M1597 HydrophobicContact CD1-CE 3.91Å; Y1583-M1597 HydrophobicContact CE1-CB 3.58Å; Y1583-M1597 HydrophobicContact CE1-CG 4.37Å; R1594-M1597 HydrophobicContact CB-CB 4.49Å; R1594-M1597 HydrophobicContact CB-CG 4.48Å; R1594-M1597 PolarHBondContact O-N 3.18Å |
| 1598 | P | 52.3 | Low | 49.8 | Very low | 84 Ų | 84 | 99.6 Ų | 99.6 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | trans | -55.8 | 161.1 | 172.7 | -23.8 | 32.7 | 0 | 0 | 0 | 113.4 | Y1583 A1602 | Y1583-P1598 WeakPolarHBondContact CE1-O 3.49Å; Y1583-P1598 PolarHBondContact OH-O 3.37Å; Y1583-P1598 VanDerWaalsContact OH-O 3.06Å; P1598-A1602 HydrophobicContact CB-CB 4.25Å | ||
| 1599 | E | 51 | Low | 49.2 | Very low | 119 Ų | 119 | 99.7 Ų | 99.7 | 56% | 0.556 | 58% | 0.577 | S | S | * | * | trans | -65.7 | 144.3 | 179.8 | -61.1 | -158.3 | 147.3 | 0 | 0 | 111.8 | K1593 F1601 A1602 | K1593-E1599 IonicContact NZ-OE1 2.76Å; K1593-E1599 PolarHBondContact NZ-OE1 2.79Å; E1599-F1601 PolarHBondContact O-N 3.41Å; E1599-A1602 WeakPolarHBondContact O-CB 3.41Å; E1599-A1602 PolarHBondContact O-N 2.88Å | ||
| 1600 | P | 55.8 | Low | 48.5 | Very low | 45 Ų | 45 | 92.7 Ų | 92.7 | 29% | 0.292 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.2 | -14.6 | -168.7 | 20.2 | -30.9 | 0 | 0 | 0 | 115.5 | Y1583 D1591 | Y1583-P1600 HydrophobicContact CD1-CB 4.47Å; Y1583-P1600 HydrophobicContact CG-CB 4.21Å; D1591-P1600 HydrophobicContact CB-CB 3.78Å; D1591-P1600 HydrophobicContact CB-CG 4.14Å |
| 1601 | F | 43.6 | Very low | 47.8 | Very low | 195 Ų | 195 | 93.8 Ų | 93.8 | 86% | 0.855 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 4.4 | 172.7 | -65.4 | -69.7 | 0 | 0 | 0 | 114 | E1599 F1603 | E1599-F1601 PolarHBondContact O-N 3.41Å; F1601-F1603 PolarHBondContact O-N 2.67Å |
| 1602 | A | 40.3 | Very low | 46 | Very low | 41 Ų | 41 | 100.3 Ų | 100.3 | 34% | 0.339 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -74.8 | 101.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | P1598 E1599 | P1598-A1602 HydrophobicContact CB-CB 4.25Å; E1599-A1602 WeakPolarHBondContact O-CB 3.41Å; E1599-A1602 PolarHBondContact O-N 2.88Å |
| 1603 | F | 41.8 | Very low | 44.8 | Very low | 125 Ų | 125 | 100.9 Ų | 100.9 | 55% | 0.548 | 61% | 0.607 | S | S | . | * | trans | 45 | 85.2 | 142.7 | -54.4 | -66.5 | 0 | 0 | 0 | 115.8 | I1463 F1601 P1605 | I1463-F1603 HydrophobicContact CB-CD1 3.87Å; I1463-F1603 HydrophobicContact CB-CE1 4.38Å; I1463-F1603 HydrophobicContact CD1-CB 4.01Å; I1463-F1603 HydrophobicContact CD1-CD1 4.1Å; I1463-F1603 HydrophobicContact CD1-CG 3.98Å; I1463-F1603 HydrophobicContact CG2-CB 3.97Å; I1463-F1603 HydrophobicContact CG2-CD1 3.37Å; I1463-F1603 HydrophobicContact CG2-CE1 4.24Å; I1463-F1603 HydrophobicContact CG2-CG 4.04Å; F1601-F1603 PolarHBondContact O-N 2.67Å; F1603-P1605 WeakPolarHBondContact O-CD 3.37Å | ||
| 1604 | V | 37.4 | Very low | 43.3 | Very low | 94 Ų | 94 | 101.5 Ų | 101.5 | 57% | 0.57 | 62% | 0.617 | S | S | * | * | trans | -91.5 | 101.8 | 167.6 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | P1579 L1606 | P1579-V1604 HydrophobicContact CB-CG1 4.4Å; V1604-L1606 PolarHBondContact O-N 3.43Å | ||
| 1605 | P | 38 | Very low | 41.8 | Very low | 72 Ų | 72 | 103.3 Ų | 103.3 | 47% | 0.468 | 64% | 0.636 | S | S | . | * | trans | -59.1 | 132.7 | 168.7 | 26.9 | -35 | 0 | 0 | 0 | 107.8 | F1603 G1607 A1608 | F1603-P1605 WeakPolarHBondContact O-CD 3.37Å; P1605-G1607 PolarHBondContact O-N 2.96Å; P1605-A1608 HydrophobicContact CG-CB 3.51Å; P1605-A1608 PolarHBondContact O-N 3.43Å | ||
| 1606 | L | 38.1 | Very low | 40.4 | Very low | 101 Ų | 101 | 103.3 Ų | 103.3 | 53% | 0.529 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.8 | 62.2 | 179.1 | -70.9 | 169.1 | 0 | 0 | 0 | 110.8 | E1456 V1604 | E1456-L1606 WeakPolarHBondContact OE1-CD1 3.46Å; V1604-L1606 PolarHBondContact O-N 3.43Å |
| 1607 | G | 37.7 | Very low | 39.2 | Very low | 69 Ų | 69 | 106 Ų | 106 | 71% | 0.711 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 175.3 | -24.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | P1605 G1609 | P1605-G1607 PolarHBondContact O-N 2.96Å; G1607-G1609 PolarHBondContact O-N 3.28Å |
| 1608 | A | 34.9 | Very low | 37.9 | Very low | 67 Ų | 67 | 107.1 Ų | 107.1 | 55% | 0.554 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 99.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P1605 | P1605-A1608 HydrophobicContact CG-CB 3.51Å; P1605-A1608 PolarHBondContact O-N 3.43Å |
| 1609 | G | 34.6 | Very low | 37.1 | Very low | 52 Ų | 52 | 111.7 Ų | 111.7 | 54% | 0.536 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 177.9 | -14.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | G1607 | G1607-G1609 PolarHBondContact O-N 3.28Š|
| 1610 | I | 32.8 | Very low | 36.4 | Very low | 118 Ų | 118 | 115.4 Ų | 115.4 | 61% | 0.605 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -102.2 | 102.3 | 171.5 | -61.6 | 173.3 | 0 | 0 | 0 | 107.1 | I1576 | I1576-I1610 HydrophobicContact CG2-CD1 4.09Š|
| 1611 | G | 33.7 | Very low | 35.8 | Very low | 62 Ų | 62 | 115.6 Ų | 115.6 | 64% | 0.639 | 66% | 0.661 | S | S | * | * | trans | -52.3 | 142.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113 | S1613 | G1611-S1613 VanDerWaalsContact C-N 3.28Å; G1611-S1613 PolarHBondContact O-N 3.03Å | ||
| 1612 | K | 27.7 | Very low | 36.1 | Very low | 225 Ų | 225 | 109.3 Ų | 109.3 | 98% | 0.978 | 64% | 0.639 | S | S | * | * | trans | -52.8 | 91.2 | 159.8 | -61.9 | 175.6 | 178.7 | 179.7 | 0 | 108.4 | ||||
| 1613 | S | 32.5 | Very low | 36.4 | Very low | 100 Ų | 100 | 111.7 Ų | 111.7 | 70% | 0.699 | 65% | 0.651 | S | S | * | * | trans | -121.7 | 103.3 | 158.1 | 80.3 | 0 | 0 | 0 | 0 | 107.4 | G1611 | G1611-S1613 VanDerWaalsContact C-N 3.28Å; G1611-S1613 PolarHBondContact O-N 3.03Å | ||
| 1614 | N | 32 | Very low | 37 | Very low | 157 Ų | 157 | 111.4 Ų | 111.4 | 84% | 0.84 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 66.9 | 110.8 | 166.4 | -62.3 | -8.7 | 0 | 0 | 0 | 116.6 | ||
| 1615 | N | 31 | Very low | 37.9 | Very low | 161 Ų | 161 | 110.3 Ų | 110.3 | 86% | 0.861 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 16.3 | 133 | 142.2 | -73.4 | -8.5 | 0 | 0 | 0 | 118.1 | ||
| 1616 | S | 31.2 | Very low | 38.6 | Very low | 107 Ų | 107 | 110.7 Ų | 110.7 | 75% | 0.748 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 87.1 | 111.6 | 175.7 | 78.6 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1617 | I | 35 | Very low | 39.3 | Very low | 145 Ų | 145 | 113.3 Ų | 113.3 | 74% | 0.744 | 64% | 0.638 | S | S | * | * | trans | 72.1 | 103.5 | 166.5 | -66.2 | 131.7 | 0 | 0 | 0 | 115.1 | Q1619 | I1617-Q1619 PolarHBondContact O-N 2.81Š| ||
| 1618 | S | 35.1 | Very low | 40.1 | Very low | 110 Ų | 110 | 118 Ų | 118 | 77% | 0.769 | 63% | 0.634 | S | S | * | * | trans | -51.9 | 97 | 162.1 | 58.7 | 0 | 0 | 0 | 0 | 109.7 | R1620 | S1618-R1620 PolarHBondContact O-N 2.99Š| ||
| 1619 | Q | 35 | Very low | 40.9 | Very low | 180 Ų | 180 | 118.3 Ų | 118.3 | 84% | 0.841 | 63% | 0.626 | S | S | * | * | trans | -68.8 | 89.3 | 170.5 | -84.6 | -176.3 | -17.5 | 0 | 0 | 108.4 | I1617 V1621 | I1617-Q1619 PolarHBondContact O-N 2.81Å; Q1619-V1621 PolarHBondContact O-N 3.25Å | ||
| 1620 | R | 36.3 | Very low | 41.8 | Very low | 198 Ų | 198 | 119.2 Ų | 119.2 | 75% | 0.747 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 121.3 | 169.2 | -117.3 | -180 | -166.7 | -172.8 | 3.6 | 107.8 | S1618 T1622 | S1618-R1620 PolarHBondContact O-N 2.99Å; R1620-T1622 PolarHBondContact O-N 3.08Å |
| 1621 | V | 43.9 | Very low | 42.8 | Very low | 48 Ų | 48 | 118.8 Ų | 118.8 | 29% | 0.291 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -53.6 | 126.6 | 177.8 | 177.9 | 0 | 0 | 0 | 0 | 109.3 | Q1619 E1625 R1626 | Q1619-V1621 PolarHBondContact O-N 3.25Å; V1621-E1625 HydrophobicContact CG1-CB 3.52Å; V1621-R1626 HydrophobicContact CG1-CG 4.15Å |
| 1622 | T | 49.4 | Very low | 43.6 | Very low | 64 Ų | 64 | 123 Ų | 123 | 39% | 0.393 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -68.3 | 152.1 | -176.7 | 60.5 | 0 | 0 | 0 | 0 | 111.1 | R1620 L1624 E1625 R1626 | R1620-T1622 PolarHBondContact O-N 3.08Å; T1622-L1624 PolarHBondContact O-N 2.92Å; T1622-E1625 PolarHBondContact N-OE2 3.39Å; T1622-E1625 WeakPolarHBondContact O-CB 3.32Å; T1622-E1625 PolarHBondContact O-N 3.45Å; T1622-E1625 VanDerWaalsContact OG1-CD 3.25Å; T1622-E1625 WeakPolarHBondContact OG1-CG 3.28Å; T1622-E1625 PolarHBondContact OG1-N 3.41Å; T1622-E1625 PolarHBondContact OG1-OE2 2.97Å; T1622-R1626 PolarHBondContact O-N 3.09Å; T1622-R1626 VanDerWaalsContact O-N 3.11Å |
| 1623 | P | 46 | Very low | 44.4 | Very low | 91 Ų | 91 | 117.3 Ų | 117.3 | 59% | 0.591 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -54 | -30.3 | 174.1 | -25.5 | 33 | 0 | 0 | 0 | 112.9 | R1627 | P1623-R1627 WeakPolarHBondContact O-CB 3.39Å; P1623-R1627 WeakPolarHBondContact O-CG 3.33Å; P1623-R1627 PolarHBondContact O-N 2.91Å |
| 1624 | L | 55 | Low | 44.8 | Very low | 119 Ų | 119 | 115.2 Ų | 115.2 | 62% | 0.623 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.4 | -38.3 | 175.9 | -162.8 | 80.2 | 0 | 0 | 0 | 112.3 | T1622 R1628 | T1622-L1624 PolarHBondContact O-N 2.92Å; L1624-R1628 PolarHBondContact O-N 3.43Å |
| 1625 | E | 56.1 | Low | 45.4 | Very low | 71 Ų | 71 | 114.3 Ų | 114.3 | 33% | 0.332 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -73 | -40.3 | 178 | -77.2 | 160.8 | 152.2 | 0 | 0 | 112 | V1621 T1622 R1628 L1629 | V1621-E1625 HydrophobicContact CG1-CB 3.52Å; T1622-E1625 PolarHBondContact N-OE2 3.39Å; T1622-E1625 WeakPolarHBondContact O-CB 3.32Å; T1622-E1625 PolarHBondContact O-N 3.45Å; T1622-E1625 VanDerWaalsContact OG1-CD 3.25Å; T1622-E1625 WeakPolarHBondContact OG1-CG 3.28Å; T1622-E1625 PolarHBondContact OG1-N 3.41Å; T1622-E1625 PolarHBondContact OG1-OE2 2.97Å; E1625-R1628 WeakPolarHBondContact O-CA 3.38Å; E1625-R1628 WeakPolarHBondContact O-CB 3.46Å; E1625-R1628 PolarHBondContact O-N 2.63Å; E1625-R1628 VanDerWaalsContact O-N 3.12Å; E1625-L1629 PolarHBondContact O-N 3.21Å |
| 1626 | R | 52.9 | Low | 45.6 | Very low | 80 Ų | 80 | 107.8 Ų | 107.8 | 30% | 0.302 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.1 | -44.7 | 170.3 | -85.4 | -172.6 | -170.6 | 131 | -2.5 | 112.4 | V1621 T1622 R1628 L1629 L1630 | V1621-R1626 HydrophobicContact CG1-CG 4.15Å; T1622-R1626 PolarHBondContact O-N 3.09Å; T1622-R1626 VanDerWaalsContact O-N 3.11Å; R1626-R1628 PolarHBondContact O-N 3.16Å; R1626-L1629 PolarHBondContact O-N 3.08Å; R1626-L1630 PolarHBondContact O-N 3.5Å |
| 1627 | R | 52.7 | Low | 45.8 | Very low | 156 Ų | 156 | 112 Ų | 112 | 59% | 0.589 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.3 | -26.6 | 173.3 | -79.6 | 179.9 | 179 | 179.3 | 0.3 | 112.6 | P1623 R1631 | P1623-R1627 WeakPolarHBondContact O-CB 3.39Å; P1623-R1627 WeakPolarHBondContact O-CG 3.33Å; P1623-R1627 PolarHBondContact O-N 2.91Å; R1627-R1631 WeakPolarHBondContact O-CB 3.5Å; R1627-R1631 PolarHBondContact O-N 2.87Å |
| 1628 | R | 54.1 | Low | 45.7 | Very low | 167 Ų | 167 | 112.2 Ų | 112.2 | 63% | 0.63 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -75.1 | -44.6 | 173.3 | -107 | -178 | 176.5 | 165.8 | 1.7 | 111.5 | L1624 E1625 R1626 R1631 E1632 | L1624-R1628 PolarHBondContact O-N 3.43Å; E1625-R1628 WeakPolarHBondContact O-CA 3.38Å; E1625-R1628 WeakPolarHBondContact O-CB 3.46Å; E1625-R1628 PolarHBondContact O-N 2.63Å; E1625-R1628 VanDerWaalsContact O-N 3.12Å; R1626-R1628 PolarHBondContact O-N 3.16Å; R1628-R1631 WeakPolarHBondContact O-CB 3.38Å; R1628-R1631 PolarHBondContact O-N 2.98Å; R1628-R1631 VanDerWaalsContact O-N 3.13Å; R1628-E1632 PolarHBondContact O-N 3.01Å |
| 1629 | L | 51.7 | Low | 45.4 | Very low | 73 Ų | 73 | 116.2 Ų | 116.2 | 38% | 0.382 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -56.1 | -50.3 | 172.8 | -80.2 | 164.9 | 0 | 0 | 0 | 110.9 | I1578 E1625 R1626 R1631 E1632 V1633 | I1578-L1629 HydrophobicContact CG2-CD2 4.29Å; E1625-L1629 PolarHBondContact O-N 3.21Å; R1626-L1629 PolarHBondContact O-N 3.08Å; L1629-R1631 PolarHBondContact O-N 3.19Å; L1629-E1632 PolarHBondContact O-N 2.69Å; L1629-V1633 WeakPolarHBondContact O-CG2 3.46Å; L1629-V1633 PolarHBondContact O-N 3.42Å |
| 1630 | L | 52.9 | Low | 44.9 | Very low | 72 Ų | 72 | 119.3 Ų | 119.3 | 38% | 0.377 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58 | -32.3 | 176 | -76.8 | 166.9 | 0 | 0 | 0 | 113.5 | R1626 G1634 M1635 G1636 | R1626-L1630 PolarHBondContact O-N 3.5Å; L1630-G1634 PolarHBondContact O-N 3.42Å; L1630-M1635 HydrophobicContact CD2-CB 4.39Å; L1630-M1635 CarbonylContact O-C 3.53Å; L1630-M1635 PolarHBondContact O-N 2.84Å; L1630-G1636 PolarHBondContact O-N 3.18Å |
| 1631 | R | 54.4 | Low | 44.4 | Very low | 109 Ų | 109 | 119.5 Ų | 119.5 | 41% | 0.411 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -75.4 | -32.4 | 177.7 | -152.2 | -174.3 | -52.3 | -161.9 | 2.2 | 112.3 | R1627 R1628 L1629 G1634 | R1627-R1631 WeakPolarHBondContact O-CB 3.5Å; R1627-R1631 PolarHBondContact O-N 2.87Å; R1628-R1631 WeakPolarHBondContact O-CB 3.38Å; R1628-R1631 PolarHBondContact O-N 2.98Å; R1628-R1631 VanDerWaalsContact O-N 3.13Å; L1629-R1631 PolarHBondContact O-N 3.19Å; R1631-G1634 PolarHBondContact O-N 2.91Å |
| 1632 | E | 50.3 | Low | 43.4 | Very low | 149 Ų | 149 | 128.7 Ų | 128.7 | 70% | 0.696 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -76.6 | -34 | 176.4 | -73.6 | -80.8 | 147.9 | 0 | 0 | 111.6 | R1628 L1629 G1634 | R1628-E1632 PolarHBondContact O-N 3.01Å; L1629-E1632 PolarHBondContact O-N 2.69Å; E1632-G1634 PolarHBondContact O-N 3.29Å |
| 1633 | V | 45.7 | Very low | 42.2 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 65% | 0.648 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 9.8 | 170.6 | -64.5 | 0 | 0 | 0 | 0 | 114 | L1629 M1635 | L1629-V1633 WeakPolarHBondContact O-CG2 3.46Å; L1629-V1633 PolarHBondContact O-N 3.42Å; V1633-M1635 PolarHBondContact O-N 2.82Å |
| 1634 | G | 41.1 | Very low | 41.2 | Very low | 56 Ų | 56 | 138.2 Ų | 138.2 | 58% | 0.577 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.9 | 5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | L1630 R1631 E1632 | L1630-G1634 PolarHBondContact O-N 3.42Å; R1631-G1634 PolarHBondContact O-N 2.91Å; E1632-G1634 PolarHBondContact O-N 3.29Å |
| 1635 | M | 43 | Very low | 39.6 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 68% | 0.68 | 64% | 0.644 | S | S | * | * | trans | -95.4 | 8.1 | -178.6 | -62.7 | -176 | 74.7 | 0 | 0 | 113.9 | L1630 V1633 | L1630-M1635 HydrophobicContact CD2-CB 4.39Å; L1630-M1635 CarbonylContact O-C 3.53Å; L1630-M1635 PolarHBondContact O-N 2.84Å; V1633-M1635 PolarHBondContact O-N 2.82Å | ||
| 1636 | G | 36.9 | Very low | 38 | Very low | 23 Ų | 23 | 136.4 Ų | 136.4 | 24% | 0.237 | 66% | 0.664 | C | S | . | * | S | Bend | trans | -124.8 | 136.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1630 Q1638 | L1630-G1636 PolarHBondContact O-N 3.18Å; G1636-Q1638 PolarHBondContact O-N 3.16Å; G1636-Q1638 VanDerWaalsContact O-N 3.14Å |
| 1637 | K | 33.6 | Very low | 36.6 | Very low | 195 Ų | 195 | 142.5 Ų | 142.5 | 85% | 0.848 | 69% | 0.692 | S | S | * | * | trans | -54.9 | 117.9 | 178.4 | -79.2 | -170.6 | 175.3 | 178.1 | 0 | 111.6 | K1639 | K1637-K1639 PolarHBondContact O-N 3.47Š| ||
| 1638 | Q | 33.7 | Very low | 35.1 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | trans | -69.8 | 117.9 | 169.5 | -95.2 | 116.4 | -21.5 | 0 | 0 | 111.4 | G1636 R1640 | G1636-Q1638 PolarHBondContact O-N 3.16Å; G1636-Q1638 VanDerWaalsContact O-N 3.14Å; Q1638-R1640 PolarHBondContact O-N 2.76Å | ||
| 1639 | K | 30 | Very low | 33.7 | Very low | 195 Ų | 195 | 144 Ų | 144 | 85% | 0.848 | 72% | 0.715 | S | S | * | * | trans | -71.5 | 109.6 | 162.3 | -116.4 | -178.3 | 177.8 | -178.6 | 0 | 108.3 | K1637 K1641 | K1637-K1639 PolarHBondContact O-N 3.47Å; K1639-K1641 PolarHBondContact O-N 3.44Å; K1639-K1641 VanDerWaalsContact O-N 3.11Å | ||
| 1640 | R | 24.3 | Very low | 32.3 | Very low | 245 Ų | 245 | 149.8 Ų | 149.8 | 93% | 0.925 | 74% | 0.737 | S | S | * | * | trans | -57.9 | 111.7 | 171.9 | -76.6 | 179.6 | 170.8 | 167.8 | -2.8 | 109.1 | Q1638 R1642 | Q1638-R1640 PolarHBondContact O-N 2.76Å; R1640-R1642 PolarHBondContact O-N 3.06Å | ||
| 1641 | K | 25.6 | Very low | 30.8 | Very low | 202 Ų | 202 | 151.5 Ų | 151.5 | 88% | 0.878 | 76% | 0.755 | S | S | * | * | trans | -70.7 | 112.1 | 169.9 | -80 | -174.5 | 173.9 | -177 | 0 | 108.6 | K1639 I1643 | K1639-K1641 PolarHBondContact O-N 3.44Å; K1639-K1641 VanDerWaalsContact O-N 3.11Å; K1641-I1643 PolarHBondContact O-N 3.49Å | ||
| 1642 | R | 22.1 | Very low | 29.2 | Very low | 240 Ų | 240 | 151.3 Ų | 151.3 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | trans | -62.8 | 120.2 | 162.6 | -82.4 | -177.4 | 169.1 | -179.8 | -3.1 | 107.6 | R1640 Q1644 | R1640-R1642 PolarHBondContact O-N 3.06Å; R1642-Q1644 PolarHBondContact O-N 2.94Å; R1642-Q1644 VanDerWaalsContact O-N 3.12Å | ||
| 1643 | I | 24.9 | Very low | 27.9 | Very low | 168 Ų | 168 | 153.9 Ų | 153.9 | 86% | 0.862 | 78% | 0.779 | S | S | * | * | trans | -75.4 | 98.6 | 172.4 | -63.1 | 172.2 | 0 | 0 | 0 | 106.2 | K1641 G1645 | K1641-I1643 PolarHBondContact O-N 3.49Å; I1643-G1645 PolarHBondContact O-N 3.46Å; I1643-G1645 VanDerWaalsContact O-N 3.13Å | ||
| 1644 | Q | 23.5 | Very low | 26.8 | Very low | 188 Ų | 188 | 156 Ų | 156 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -70.5 | 95.2 | 167.4 | -78.6 | 172.4 | -25.5 | 0 | 0 | 107.9 | R1642 G1646 | R1642-Q1644 PolarHBondContact O-N 2.94Å; R1642-Q1644 VanDerWaalsContact O-N 3.12Å; Q1644-G1646 PolarHBondContact O-N 3.4Å; Q1644-G1646 VanDerWaalsContact O-N 3.07Å | ||
| 1645 | G | 22.6 | Very low | 25.9 | Very low | 79 Ų | 79 | 161 Ų | 161 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | -78.7 | 68.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I1643 | I1643-G1645 PolarHBondContact O-N 3.46Å; I1643-G1645 VanDerWaalsContact O-N 3.13Å | ||
| 1646 | G | 22.7 | Very low | 25 | Very low | 73 Ų | 73 | 160 Ų | 160 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -91.3 | 98.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q1644 | Q1644-G1646 PolarHBondContact O-N 3.4Å; Q1644-G1646 VanDerWaalsContact O-N 3.07Å | ||
| 1647 | K | 23.1 | Very low | 24.3 | Very low | 207 Ų | 207 | 167 Ų | 167 | 90% | 0.9 | 83% | 0.832 | S | S | * | * | trans | -97.5 | 106.8 | 162.8 | -87.6 | -171 | 175.5 | -176 | 0 | 108.2 | M1649 | K1647-M1649 PolarHBondContact O-N 3.48Š| ||
| 1648 | H | 22 | Very low | 23.9 | Very low | 177 Ų | 177 | 166.5 Ų | 166.5 | 82% | 0.819 | 83% | 0.829 | S | S | * | * | trans | -52 | 116.4 | 160.9 | -97.3 | -75.9 | 0 | 0 | 0 | 109.9 | ||||
| 1649 | M | 23.5 | Very low | 23.4 | Very low | 178 Ų | 178 | 165.9 Ų | 165.9 | 88% | 0.877 | 83% | 0.831 | S | S | * | * | trans | -108.9 | 125.9 | 152 | -77.9 | -90.9 | 90.2 | 0 | 0 | 106.6 | K1647 | K1647-M1649 PolarHBondContact O-N 3.48Š| ||
| 1650 | K | 23.1 | Very low | 23.2 | Very low | 195 Ų | 195 | 163.3 Ų | 163.3 | 85% | 0.848 | 83% | 0.831 | S | S | * | * | trans | -67.9 | 149.4 | -172.2 | -74.2 | 175.7 | 171.7 | -179.2 | 0 | 111.3 | ||||
| 1651 | S | 20.2 | Very low | 23.2 | Very low | 107 Ų | 107 | 159.3 Ų | 159.3 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | trans | -46.6 | 145.3 | 162.7 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1652 | S | 20.9 | Very low | 23.2 | Very low | 105 Ų | 105 | 158.3 Ų | 158.3 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | 161.8 | 109.2 | 127.5 | -82.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 1653 | K | 24.4 | Very low | 23.4 | Very low | 204 Ų | 204 | 155.4 Ų | 155.4 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | 167.9 | 110.9 | 125.6 | -92.4 | 172.6 | 179 | -177.8 | 0 | 109.9 | |||||
| 1654 | N | 20.9 | Very low | 23.4 | Very low | 152 Ų | 152 | 154 Ų | 154 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | -49.3 | 145.8 | 155.5 | -76 | -27.5 | 0 | 0 | 0 | 110.3 | ||||
| 1655 | I | 23.7 | Very low | 23.6 | Very low | 160 Ų | 160 | 154.6 Ų | 154.6 | 82% | 0.821 | 81% | 0.811 | S | S | * | * | trans | -166.5 | 105.9 | 131.4 | -86.7 | 141 | 0 | 0 | 0 | 108.3 | ||||
| 1656 | V | 23.6 | Very low | 23.8 | Very low | 116 Ų | 116 | 158.9 Ų | 158.9 | 70% | 0.703 | 81% | 0.808 | S | S | * | * | trans | 45.6 | 108.1 | 133.3 | -169.8 | 0 | 0 | 0 | 0 | 119.6 | K1658 | V1656-K1658 HydrophobicContact CG1-CG 4.4Š| ||
| 1657 | L | 21 | Very low | 24 | Very low | 172 Ų | 172 | 163.1 Ų | 163.1 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | trans | -58.3 | 132.1 | 148.4 | -77.7 | 134.1 | 0 | 0 | 0 | 111.1 | ||||
| 1658 | K | 25.5 | Very low | 24.1 | Very low | 183 Ų | 183 | 161.8 Ų | 161.8 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | -143.3 | 111.5 | 156.4 | -101.5 | -177.6 | 178.6 | 179.6 | 0 | 110.1 | V1656 | V1656-K1658 HydrophobicContact CG1-CG 4.4Š| ||
| 1659 | D | 23.7 | Very low | 24.3 | Very low | 138 Ų | 138 | 160.4 Ų | 160.4 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | trans | 13 | 138.5 | 141.1 | -55.8 | -40.4 | 0 | 0 | 0 | 118.7 | ||||
| 1660 | V | 26.8 | Very low | 24.4 | Very low | 140 Ų | 140 | 156.6 Ų | 156.6 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | -167.3 | 126.3 | 111 | 160.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1661 | H | 23.7 | Very low | 24.5 | Very low | 162 Ų | 162 | 157.6 Ų | 157.6 | 75% | 0.75 | 80% | 0.8 | S | S | * | * | trans | -56 | 163.9 | 172.5 | -70.1 | -74.8 | 0 | 0 | 0 | 117.2 | ||||
| 1662 | K | 26.4 | Very low | 24.9 | Very low | 180 Ų | 180 | 157.5 Ų | 157.5 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | 136.5 | 138.9 | 135.3 | -75.7 | 167.1 | -179.5 | 172 | 0 | 109.2 | ||||
| 1663 | K | 25.8 | Very low | 25.2 | Very low | 179 Ų | 179 | 162.5 Ų | 162.5 | 78% | 0.778 | 81% | 0.814 | S | S | * | * | cis | -164.7 | 125.3 | 4.2 | -113 | 167.3 | 178.8 | -177.5 | 0 | 105.3 | ||||
| 1664 | T | 25.3 | Very low | 25.2 | Very low | 139 Ų | 139 | 162.1 Ų | 162.1 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -88.5 | 126.5 | 164.9 | 36.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1665 | K | 27.9 | Very low | 25.9 | Very low | 200 Ų | 200 | 160 Ų | 160 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | trans | -113.8 | 119.8 | 169.4 | -99.4 | -172.8 | 175.9 | -175.7 | 0 | 109.2 | ||||
| 1666 | F | 25.1 | Very low | 25.9 | Very low | 170 Ų | 170 | 164.3 Ų | 164.3 | 75% | 0.746 | 81% | 0.813 | S | S | * | * | trans | -58.6 | 137 | 168.2 | -89.1 | -105.9 | 0 | 0 | 0 | 112 | ||||
| 1667 | L | 27.9 | Very low | 26 | Very low | 162 Ų | 162 | 165.7 Ų | 165.7 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -136.2 | 108.4 | 144.9 | -108.2 | 107 | 0 | 0 | 0 | 108.4 | ||||
| 1668 | K | 23.9 | Very low | 26.3 | Very low | 178 Ų | 178 | 165 Ų | 165 | 77% | 0.774 | 81% | 0.813 | S | S | * | * | trans | -100.9 | 121.9 | 162.9 | -86.7 | 179.6 | 173.1 | 176.4 | 0 | 106.2 | ||||
| 1669 | L | 27.5 | Very low | 26.5 | Very low | 149 Ų | 149 | 168.7 Ų | 168.7 | 78% | 0.78 | 84% | 0.837 | S | S | * | * | trans | -145.5 | 106 | 161.9 | -104.2 | 149.6 | 0 | 0 | 0 | 109.8 | ||||
| 1670 | S | 25.7 | Very low | 26.7 | Very low | 97 Ų | 97 | 170.3 Ų | 170.3 | 68% | 0.678 | 84% | 0.842 | S | S | * | * | trans | 26.5 | 115.3 | 144.8 | 58.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1671 | K | 24.5 | Very low | 26.7 | Very low | 217 Ų | 217 | 171.8 Ų | 171.8 | 94% | 0.943 | 84% | 0.841 | S | S | * | * | 32.5 | 103.3 | 119.6 | -69 | 179.5 | 175.2 | 178.8 | 0 | 117.1 | |||||
| 1672 | A | 28.6 | Very low | 26.8 | Very low | 104 Ų | 104 | 172.4 Ų | 172.4 | 86% | 0.86 | 85% | 0.846 | S | S | * | * | trans | -115.2 | 140.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1673 | K | 26.6 | Very low | 26.9 | Very low | 211 Ų | 211 | 171.9 Ų | 171.9 | 92% | 0.917 | 85% | 0.85 | S | S | * | * | trans | -71.5 | 143.9 | -170.8 | -72 | 168.7 | 169.7 | 175.1 | 0 | 113.2 | ||||
| 1674 | F | 24.2 | Very low | 26.9 | Very low | 196 Ų | 196 | 171.5 Ų | 171.5 | 86% | 0.86 | 86% | 0.855 | S | S | * | * | trans | -65.1 | 176.4 | 152.7 | -77.1 | -88.9 | 0 | 0 | 0 | 111.2 | ||||
| 1675 | P | 36.4 | Very low | 27 | Very low | 108 Ų | 108 | 173.7 Ų | 173.7 | 70% | 0.701 | 86% | 0.855 | S | S | * | * | cis | -128.9 | 164.3 | -39.7 | 33.7 | -17.8 | 0 | 0 | 0 | 111.3 | ||||
| 1676 | R | 24.3 | Very low | 27 | Very low | 250 Ų | 250 | 171.8 Ų | 171.8 | 94% | 0.943 | 85% | 0.854 | S | S | * | * | trans | -150.1 | 107.7 | 157.5 | -107.7 | -177.8 | -174.2 | 174.8 | 0.7 | 109.9 | ||||
| 1677 | D | 26.2 | Very low | 27.1 | Very low | 145 Ų | 145 | 171.9 Ų | 171.9 | 78% | 0.775 | 86% | 0.862 | S | S | * | * | trans | -70.6 | 166.8 | 156.8 | -74.2 | -45.1 | 0 | 0 | 0 | 110.9 | ||||
| 1678 | N | 27 | Very low | 27.1 | Very low | 156 Ų | 156 | 172.8 Ų | 172.8 | 83% | 0.834 | 86% | 0.863 | S | S | * | * | trans | 92.9 | 80.3 | 166.1 | -59.2 | -14.5 | 0 | 0 | 0 | 117.2 | ||||
| 1679 | M | 30.1 | Very low | 27.4 | Very low | 262 Ų | 262 | 172.3 Ų | 172.3 | 100% | 1.291 | 87% | 0.871 | S | S | * | * | -157.3 | 0 | 111.4 | -97.3 | -76.4 | 169.1 | 0 | 0 | 109.7 |
Retrieved 1,679 of 1,679 residues in 608.2 ms
(Link to these results)