| 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 | 57.3 | Low | 86 | Confident | 194 Ų | 194 | 75.6 Ų | 75.6 | 96% | 0.956 | 37% | 0.369 | S | S | * | . | 0 | 136.1 | 0 | -76.9 | 173.4 | 177.2 | 0 | 0 | 107.8 | T339 | M1-T339 HydrophobicContact SD-CG2 4.16Š| |||
| 2 | A | 74.5 | Confident | 86.5 | Confident | 56 Ų | 56 | 72.6 Ų | 72.6 | 46% | 0.463 | 35% | 0.353 | S | S | . | . | trans | -68.7 | 138.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | N331 | A2-N331 HydrophobicContact CB-CB 4.19Š| ||
| 3 | L | 84.6 | Confident | 86.9 | Confident | 90 Ų | 90 | 67 Ų | 67 | 47% | 0.471 | 33% | 0.326 | S | S | . | . | trans | -76.7 | 149.7 | -179.2 | -66.6 | 170.6 | 0 | 0 | 0 | 110.2 | I5 Y292 N331 | L3-I5 HydrophobicContact CB-CG1 4.42Å; L3-I5 PolarHBondContact O-N 3.17Å; L3-Y292 HydrophobicContact CD2-CE2 3.8Å; L3-N331 WeakPolarHBondContact O-CB 3.41Å | ||
| 4 | P | 89.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -77.7 | -2.2 | 176.3 | 32.4 | -34 | 0 | 0 | 0 | 112.9 | Y292 D328 M332 Y335 | P4-Y292 HydrophobicContact CG-CD2 3.64Å; P4-Y292 HydrophobicContact CG-CE2 4.43Å; P4-Y292 HydrophobicContact CG-CG 3.85Å; P4-D328 PolarHBondContact O-N 3.3Å; P4-M332 HydrophobicContact CB-SD 3.77Å; P4-Y335 HydrophobicContact CB-CD1 3.86Å; P4-Y335 HydrophobicContact CB-CD2 4.35Å; P4-Y335 HydrophobicContact CB-CE1 4.47Å; P4-Y335 HydrophobicContact CB-CG 3.8Å; P4-Y335 HydrophobicContact CG-CD1 3.76Å; P4-Y335 HydrophobicContact CG-CD2 4.04Å; P4-Y335 HydrophobicContact CG-CE1 3.88Å; P4-Y335 HydrophobicContact CG-CE2 4.13Å; P4-Y335 HydrophobicContact CG-CG 3.85Å |
| 5 | I | 92.2 | Very high | 87 | Confident | 14 Ų | 14 | 70.1 Ų | 70.1 | 7% | 0.072 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 150.2 | -176.2 | 61.6 | 160 | 0 | 0 | 0 | 111.6 | L3 L282 Y292 V325 S326 | L3-I5 HydrophobicContact CB-CG1 4.42Å; L3-I5 PolarHBondContact O-N 3.17Å; I5-L282 HydrophobicContact CG2-CD1 4.27Å; I5-L282 HydrophobicContact CG2-CD2 3.4Å; I5-L282 HydrophobicContact CG2-CG 4.49Å; I5-Y292 HydrophobicContact CD1-CD1 3.87Å; I5-Y292 HydrophobicContact CD1-CE1 3.33Å; I5-Y292 HydrophobicContact CG1-CD1 4.16Å; I5-Y292 HydrophobicContact CG1-CE1 3.84Å; I5-Y292 HydrophobicContact CG2-CD1 4.06Å; I5-Y292 HydrophobicContact CG2-CG 4.44Å; I5-V325 HydrophobicContact CB-CG1 4.26Å; I5-V325 HydrophobicContact CD1-CG1 4.01Å; I5-V325 HydrophobicContact CG2-CG1 4.34Å; I5-S326 CarbonylContact C-O 3.55Å; I5-S326 WeakPolarHBondContact CA-O 3.11Å; I5-S326 WeakPolarHBondContact CB-O 3.37Å |
| 6 | R | 90.3 | Very high | 87.1 | Confident | 151 Ų | 151 | 67.5 Ų | 67.5 | 57% | 0.57 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 118.7 | 164 | -172.6 | 174.9 | 177.4 | 172.3 | -1.6 | 108.5 | V325 S326 | R6-V325 WeakPolarHBondContact O-CA 3.44Å; R6-S326 PolarHBondContact N-O 3Å; R6-S326 PolarHBondContact O-N 3.15Å |
| 7 | F | 90.7 | Very high | 86.9 | Confident | 93 Ų | 93 | 66 Ų | 66 | 41% | 0.408 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131.1 | 173.2 | 175.7 | -105.4 | 0 | 0 | 0 | 109.1 | I296 L323 V325 | F7-I296 HydrophobicContact CD2-CB 4.26Å; F7-I296 HydrophobicContact CD2-CG2 4.23Å; F7-I296 HydrophobicContact CE2-CB 3.83Å; F7-I296 HydrophobicContact CE2-CG2 4.31Å; F7-L323 HydrophobicContact CE2-CB 4.13Å; F7-L323 HydrophobicContact CE2-CD1 4.26Å; F7-L323 HydrophobicContact CE2-CD2 4.24Å; F7-L323 HydrophobicContact CE2-CG 4.44Å; F7-L323 HydrophobicContact CZ-CD1 4.15Å; F7-L323 HydrophobicContact CZ-CD2 3.77Å; F7-L323 HydrophobicContact CZ-CG 4.36Å; F7-V325 HydrophobicContact CD2-CG2 4Å |
| 8 | Q | 90.9 | Very high | 87 | Confident | 70 Ų | 70 | 62.7 Ų | 62.7 | 33% | 0.327 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 131.4 | -179.1 | -174.5 | 169.7 | -10.7 | 0 | 0 | 111 | L323 S324 | Q8-L323 WeakPolarHBondContact O-CA 3.35Å; Q8-S324 PolarHBondContact N-O 3.4Å; Q8-S324 PolarHBondContact O-N 2.79Å |
| 9 | E | 92 | Very high | 86.9 | Confident | 93 Ų | 93 | 64.7 Ų | 64.7 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 121 | 164.9 | -178.7 | 170.6 | 166 | 0 | 0 | 108 | Q321 L323 | E9-Q321 PolarHBondContact OE1-NE2 3.24Å; E9-Q321 PolarHBondContact OE2-NE2 3.07Å; E9-L323 HydrophobicContact CB-CD2 3.81Å; E9-L323 HydrophobicContact CG-CD2 3.9Å |
| 10 | H | 91.3 | Very high | 86.7 | Confident | 54 Ų | 54 | 65.7 Ų | 65.7 | 25% | 0.25 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -47.1 | -176.8 | -67 | -79.1 | 0 | 0 | 0 | 111.8 | M53 V322 S324 | H10-M53 HydrophobicContact CB-CE 3.82Å; H10-V322 HydrophobicContact CB-CB 4.46Å; H10-V322 HydrophobicContact CB-CG1 4.38Å; H10-V322 PolarHBondContact N-O 2.89Å; H10-S324 WeakPolarHBondContact NE2-CB 3.39Å; H10-S324 PolarHBondContact NE2-OG 3.33Å |
| 11 | V | 92.5 | Very high | 86.6 | Confident | 17 Ų | 17 | 67.8 Ų | 67.8 | 10% | 0.103 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 149.5 | -179.3 | 63 | 0 | 0 | 0 | 0 | 110.8 | L13 I16 M53 V56 V322 | V11-L13 HydrophobicContact CG1-CD2 4.4Å; V11-I16 HydrophobicContact CG2-CD1 4.45Å; V11-I16 HydrophobicContact CG2-CG2 4.06Å; V11-M53 HydrophobicContact CG1-CE 4.45Å; V11-V56 HydrophobicContact CB-CG1 3.72Å; V11-V56 HydrophobicContact CG1-CG1 3.95Å; V11-V56 HydrophobicContact CG2-CG1 3.49Å; V11-V56 VanDerWaalsContact CG2-CG1 3.49Å; V11-V322 HydrophobicContact CG1-CB 3.87Å; V11-V322 HydrophobicContact CG1-CG2 3.52Å; V11-V322 PolarHBondContact O-N 3.09Å |
| 12 | Q | 91.7 | Very high | 88.1 | Confident | 39 Ų | 39 | 58.9 Ų | 58.9 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 111.2 | 165.6 | 174.9 | 60.2 | -4.8 | 0 | 0 | 109 | A14 N15 K319 G320 Q321 | Q12-A14 HydrophobicContact CG-CB 4.37Å; Q12-A14 PolarHBondContact O-N 3.06Å; Q12-A14 VanDerWaalsContact O-N 3.11Å; Q12-N15 HydrophobicContact CB-CB 4.47Å; Q12-N15 WeakPolarHBondContact O-CB 3.35Å; Q12-N15 PolarHBondContact O-N 2.62Å; Q12-K319 PolarHBondContact NE2-O 2.88Å; Q12-G320 PolarHBondContact OE1-O 3.4Å; Q12-Q321 VanDerWaalsContact OE1-CA 3.23Å |
| 13 | L | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -57.2 | -31.4 | -172.4 | -66.6 | 176.6 | 0 | 0 | 0 | 113.3 | V11 N15 I16 V18 I23 L28 I38 I51 V316 G320 V322 | V11-L13 HydrophobicContact CG1-CD2 4.4Å; L13-N15 VanDerWaalsContact C-N 3.26Å; L13-N15 PolarHBondContact O-N 3.46Å; L13-I16 HydrophobicContact CD2-CD1 3.97Å; L13-I16 WeakPolarHBondContact O-CG1 3.13Å; L13-I16 PolarHBondContact O-N 3.05Å; L13-V18 HydrophobicContact CB-CB 4.29Å; L13-V18 HydrophobicContact CB-CG2 4.43Å; L13-V18 VanDerWaalsContact O-CB 3.31Å; L13-V18 WeakPolarHBondContact O-CB 3.4Å; L13-V18 PolarHBondContact O-N 3.16Å; L13-I23 HydrophobicContact CB-CD1 4Å; L13-L28 HydrophobicContact CD1-CD1 3.5Å; L13-I38 HydrophobicContact CD1-CD1 4.21Å; L13-I38 HydrophobicContact CD2-CD1 4.3Å; L13-I51 HydrophobicContact CD2-CD1 3.35Å; L13-V316 HydrophobicContact CD1-CG1 3.86Å; L13-G320 WeakPolarHBondContact CB-O 3.11Å; L13-G320 VanDerWaalsContact CG-O 3.24Å; L13-G320 WeakPolarHBondContact CG-O 3.29Å; L13-G320 PolarHBondContact N-O 2.9Å; L13-V322 HydrophobicContact CD1-CG2 4.48Å; L13-V322 HydrophobicContact CD2-CG2 4.05Å; L13-V322 HydrophobicContact CG-CG2 4.06Å |
| 14 | A | 87.5 | Confident | 88.9 | Confident | 44 Ų | 44 | 53.5 Ų | 53.5 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -62.6 | -31.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q12 I16 G17 | Q12-A14 HydrophobicContact CG-CB 4.37Å; Q12-A14 PolarHBondContact O-N 3.06Å; Q12-A14 VanDerWaalsContact O-N 3.11Å; A14-I16 VanDerWaalsContact C-N 3.31Å; A14-I16 PolarHBondContact O-N 3.09Å; A14-G17 PolarHBondContact O-N 3.18Å |
| 15 | N | 88.8 | Confident | 88.6 | Confident | 137 Ų | 137 | 57.4 Ų | 57.4 | 73% | 0.733 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -74.6 | -21.4 | -177.4 | -65.3 | -2.1 | 0 | 0 | 0 | 112.8 | Q12 L13 G17 | Q12-N15 HydrophobicContact CB-CB 4.47Å; Q12-N15 WeakPolarHBondContact O-CB 3.35Å; Q12-N15 PolarHBondContact O-N 2.62Å; L13-N15 VanDerWaalsContact C-N 3.26Å; L13-N15 PolarHBondContact O-N 3.46Å; N15-G17 VanDerWaalsContact C-N 3.29Å |
| 16 | I | 88 | Confident | 88.2 | Confident | 28 Ų | 28 | 60.4 Ų | 60.4 | 14% | 0.144 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -94.6 | 15.8 | 173.9 | 58.5 | 170.3 | 0 | 0 | 0 | 112.2 | V11 L13 A14 V18 I51 V56 R61 | V11-I16 HydrophobicContact CG2-CD1 4.45Å; V11-I16 HydrophobicContact CG2-CG2 4.06Å; L13-I16 HydrophobicContact CD2-CD1 3.97Å; L13-I16 WeakPolarHBondContact O-CG1 3.13Å; L13-I16 PolarHBondContact O-N 3.05Å; A14-I16 VanDerWaalsContact C-N 3.31Å; A14-I16 PolarHBondContact O-N 3.09Å; I16-V18 HydrophobicContact CD1-CG2 4.44Å; I16-V18 HydrophobicContact CG1-CG2 4.24Å; I16-I51 HydrophobicContact CD1-CD1 3.44Å; I16-I51 VanDerWaalsContact CD1-CD1 3.44Å; I16-I51 HydrophobicContact CD1-CG1 3.87Å; I16-I51 HydrophobicContact CD1-CG2 4.32Å; I16-V56 HydrophobicContact CG2-CG1 4.37Å; I16-R61 PolarHBondContact O-NH2 3.15Å |
| 17 | G | 84.1 | Confident | 88 | Confident | 42 Ų | 42 | 54.5 Ų | 54.5 | 43% | 0.433 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 27.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A14 N15 R61 | A14-G17 PolarHBondContact O-N 3.18Å; N15-G17 VanDerWaalsContact C-N 3.29Å; G17-R61 PolarHBondContact O-NH2 3.33Å |
| 18 | V | 87.5 | Confident | 88.1 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 4% | 0.036 | 30% | 0.297 | C | S | . | . | trans | -87.2 | 126.7 | 168.6 | 178.2 | 0 | 0 | 0 | 0 | 109.3 | L13 I16 I23 I38 I51 | L13-V18 HydrophobicContact CB-CB 4.29Å; L13-V18 HydrophobicContact CB-CG2 4.43Å; L13-V18 VanDerWaalsContact O-CB 3.31Å; L13-V18 WeakPolarHBondContact O-CB 3.4Å; L13-V18 PolarHBondContact O-N 3.16Å; I16-V18 HydrophobicContact CD1-CG2 4.44Å; I16-V18 HydrophobicContact CG1-CG2 4.24Å; V18-I23 HydrophobicContact CG1-CD1 4.37Å; V18-I23 HydrophobicContact CG1-CG1 4.03Å; V18-I38 HydrophobicContact CG1-CD1 4.03Å; V18-I38 HydrophobicContact CG1-CG2 4.02Å; V18-I38 HydrophobicContact CG2-CD1 3.83Å; V18-I51 HydrophobicContact CG2-CD1 4.48Å | ||
| 19 | H | 85.2 | Confident | 88.2 | Confident | 102 Ų | 102 | 48.2 Ų | 48.2 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | trans | -65.2 | 134.4 | 177.6 | -159.4 | -89.3 | 0 | 0 | 0 | 111.8 | T21 S22 E40 | H19-T21 VanDerWaalsContact C-N 3.26Å; H19-T21 PolarHBondContact CE1-OG1 3.47Å; H19-T21 PolarHBondContact ND1-N 3.41Å; H19-T21 PolarHBondContact ND1-OG1 3.27Å; H19-T21 PolarHBondContact O-N 2.91Å; H19-S22 WeakPolarHBondContact O-CB 3.29Å; H19-S22 PolarHBondContact O-N 3Å; H19-E40 HydrophobicContact CB-CG 4.46Å; H19-E40 WeakPolarHBondContact CB-OE1 3.35Å; H19-E40 PolarHBondContact N-OE1 3.36Å | ||
| 20 | S | 84.2 | Confident | 88.2 | Confident | 84 Ų | 84 | 43.9 Ų | 43.9 | 59% | 0.587 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -60.6 | -31.3 | -173.7 | 56.7 | 0 | 0 | 0 | 0 | 113.8 | S22 I23 | S20-S22 PolarHBondContact O-N 3.39Å; S20-I23 PolarHBondContact O-N 3.22Å |
| 21 | T | 84.9 | Confident | 88.2 | Confident | 110 Ų | 110 | 43 Ų | 43 | 68% | 0.675 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -69.2 | -18.4 | 176.3 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | H19 I23 | H19-T21 VanDerWaalsContact C-N 3.26Å; H19-T21 PolarHBondContact CE1-OG1 3.47Å; H19-T21 PolarHBondContact ND1-N 3.41Å; H19-T21 PolarHBondContact ND1-OG1 3.27Å; H19-T21 PolarHBondContact O-N 2.91Å; T21-I23 VanDerWaalsContact C-N 3.32Å |
| 22 | S | 87.5 | Confident | 88.1 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 5% | 0.049 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -88.5 | 0.7 | 176.5 | -64.3 | 0 | 0 | 0 | 0 | 112.9 | H19 S20 G24 T27 E40 | H19-S22 WeakPolarHBondContact O-CB 3.29Å; H19-S22 PolarHBondContact O-N 3Å; S20-S22 PolarHBondContact O-N 3.39Å; S22-G24 PolarHBondContact O-N 3.42Å; S22-T27 VanDerWaalsContact C-OG1 3.27Å; S22-T27 VanDerWaalsContact O-CB 3.27Å; S22-T27 WeakPolarHBondContact O-CB 3.5Å; S22-T27 PolarHBondContact O-OG1 2.82Å; S22-E40 WeakPolarHBondContact OG-CA 3.39Å |
| 23 | I | 88 | Confident | 88 | Confident | 14 Ų | 14 | 41.5 Ų | 41.5 | 7% | 0.072 | 26% | 0.259 | C | S | . | . | trans | -96.2 | 92.9 | 178.3 | -53.7 | -180 | 0 | 0 | 0 | 109 | L13 V18 S20 T21 L28 F302 | L13-I23 HydrophobicContact CB-CD1 4Å; V18-I23 HydrophobicContact CG1-CD1 4.37Å; V18-I23 HydrophobicContact CG1-CG1 4.03Å; S20-I23 PolarHBondContact O-N 3.22Å; T21-I23 VanDerWaalsContact C-N 3.32Å; I23-L28 HydrophobicContact CG2-CD1 4.39Å; I23-F302 HydrophobicContact CG2-CE1 4.11Å; I23-F302 HydrophobicContact CG2-CZ 4.16Å | ||
| 24 | G | 87.3 | Confident | 87.9 | Confident | 19 Ų | 19 | 45.6 Ų | 45.6 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -169.6 | 168.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | S22 A26 T27 L28 | S22-G24 PolarHBondContact O-N 3.42Å; G24-A26 PolarHBondContact O-N 2.85Å; G24-A26 VanDerWaalsContact O-N 3.14Å; G24-T27 PolarHBondContact N-OG1 3.47Å; G24-T27 PolarHBondContact O-N 2.9Å; G24-T27 VanDerWaalsContact O-N 3.08Å; G24-T27 PolarHBondContact O-OG1 2.9Å; G24-L28 PolarHBondContact O-N 3.29Å |
| 25 | F | 83.4 | Confident | 88.1 | Confident | 81 Ų | 81 | 44.6 Ų | 44.6 | 36% | 0.355 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -29.1 | -175.1 | -176.7 | -96.2 | 0 | 0 | 0 | 113.9 | F108 I152 F302 | F25-F108 HydrophobicContact CZ-CE2 4.22Å; F25-I152 HydrophobicContact CZ-CB 4.4Å; F25-I152 HydrophobicContact CZ-CG2 4.35Å; F25-F302 HydrophobicContact CB-CD2 4.03Å; F25-F302 HydrophobicContact CD2-CD2 4.43Å |
| 26 | A | 83.7 | Confident | 88.3 | Confident | 77 Ų | 77 | 38.1 Ų | 38.1 | 64% | 0.636 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | -7.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | G24 R39 | G24-A26 PolarHBondContact O-N 2.85Å; G24-A26 VanDerWaalsContact O-N 3.14Å; A26-R39 PolarHBondContact O-NH2 2.85Å |
| 27 | T | 87.9 | Confident | 88.5 | Confident | 27 Ų | 27 | 36.9 Ų | 36.9 | 17% | 0.166 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | -23 | -172.2 | 47.2 | 0 | 0 | 0 | 0 | 113.1 | S22 G24 I38 R39 | S22-T27 VanDerWaalsContact C-OG1 3.27Å; S22-T27 VanDerWaalsContact O-CB 3.27Å; S22-T27 WeakPolarHBondContact O-CB 3.5Å; S22-T27 PolarHBondContact O-OG1 2.82Å; G24-T27 PolarHBondContact N-OG1 3.47Å; G24-T27 PolarHBondContact O-N 2.9Å; G24-T27 VanDerWaalsContact O-N 3.08Å; G24-T27 PolarHBondContact O-OG1 2.9Å; T27-I38 CarbonylContact O-C 3.55Å; T27-I38 WeakPolarHBondContact O-CA 3.4Å; T27-R39 PolarHBondContact O-N 3.08Å |
| 28 | L | 92.3 | Very high | 88.9 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 127.7 | -177.2 | -174.1 | 160.9 | 0 | 0 | 0 | 111.1 | L13 I23 G24 I36 C37 I38 F302 V303 V316 | L13-L28 HydrophobicContact CD1-CD1 3.5Å; I23-L28 HydrophobicContact CG2-CD1 4.39Å; G24-L28 PolarHBondContact O-N 3.29Å; L28-I36 HydrophobicContact CD1-CG2 4.09Å; L28-I36 HydrophobicContact CD2-CG2 4.01Å; L28-I36 HydrophobicContact CG-CG2 3.94Å; L28-C37 CarbonylContact C-O 3.54Å; L28-C37 WeakPolarHBondContact CA-O 3.41Å; L28-I38 HydrophobicContact CB-CG1 4.25Å; L28-I38 HydrophobicContact CD1-CD1 4.21Å; L28-I38 HydrophobicContact CD1-CG1 3.79Å; L28-I38 HydrophobicContact CG-CG1 3.76Å; L28-F302 HydrophobicContact CB-CE2 4.23Å; L28-F302 HydrophobicContact CB-CZ 4.28Å; L28-F302 HydrophobicContact CD1-CZ 4.29Å; L28-F302 HydrophobicContact CD2-CE2 4.18Å; L28-F302 HydrophobicContact CD2-CZ 4.29Å; L28-V303 HydrophobicContact CD2-CG1 3.56Å; L28-V316 HydrophobicContact CD1-CG1 4.17Å; L28-V316 HydrophobicContact CD2-CG2 4.34Å |
| 29 | T | 92.4 | Very high | 89 | Confident | 28 Ų | 28 | 38.4 Ų | 38.4 | 17% | 0.172 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 147.4 | 175.8 | 58.8 | 0 | 0 | 0 | 0 | 111.3 | C37 V69 V70 | T29-C37 PolarHBondContact N-O 2.9Å; T29-C37 PolarHBondContact O-N 3.23Å; T29-V69 WeakPolarHBondContact CG2-O 3.42Å; T29-V69 PolarHBondContact OG1-O 3.27Å; T29-V70 HydrophobicContact CG2-CG2 4.36Å |
| 30 | M | 92.1 | Very high | 89.1 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.015 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 104.1 | -179.4 | -174.4 | -179.5 | 72 | 0 | 0 | 108.8 | S32 I36 V303 A305 I314 V316 | M30-S32 VanDerWaalsContact CG-O 3.26Å; M30-S32 WeakPolarHBondContact CG-O 3.38Å; M30-I36 HydrophobicContact CG-CG1 4.13Å; M30-I36 HydrophobicContact SD-CD1 4.32Å; M30-I36 HydrophobicContact SD-CG1 4.07Å; M30-V303 HydrophobicContact CB-CG1 4.33Å; M30-V303 HydrophobicContact CB-CG2 3.91Å; M30-V303 HydrophobicContact CE-CG1 4.39Å; M30-A305 HydrophobicContact CE-CB 3.91Å; M30-A305 HydrophobicContact CG-CB 4.34Å; M30-I314 HydrophobicContact CE-CG2 4.06Å; M30-I314 WeakPolarHBondContact CE-O 3.47Å; M30-I314 HydrophobicContact SD-CG2 4.41Å; M30-V316 HydrophobicContact SD-CG2 4.05Å |
| 31 | E | 90.9 | Very high | 89 | Confident | 34 Ų | 34 | 36.1 Ų | 36.1 | 16% | 0.159 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -94.1 | -26.4 | -174.8 | -63.6 | -59 | 128.4 | 0 | 0 | 113 | V70 M71 P73 K110 W111 | E31-V70 HydrophobicContact CG-CG1 3.36Å; E31-M71 VanDerWaalsContact CG-O 3.3Å; E31-M71 WeakPolarHBondContact CG-O 3.48Å; E31-P73 HydrophobicContact CB-CG 4.26Å; E31-K110 WeakPolarHBondContact OE2-CE 3.44Å; E31-K110 WeakPolarHBondContact OE2-CG 3.22Å; E31-W111 PolarHBondContact OE2-N 3.39Å |
| 32 | S | 91.1 | Very high | 88.6 | Confident | 7 Ų | 7 | 34.4 Ų | 34.4 | 5% | 0.049 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -143.6 | 179.7 | 175.8 | 65 | 0 | 0 | 0 | 0 | 109.6 | M30 K34 P73 | M30-S32 VanDerWaalsContact CG-O 3.26Å; M30-S32 WeakPolarHBondContact CG-O 3.38Å; S32-K34 PolarHBondContact O-N 3.27Å; S32-K34 PolarHBondContact OG-N 3.45Å; S32-P73 VanDerWaalsContact CB-O 3.28Å; S32-P73 WeakPolarHBondContact CB-O 3.33Å; S32-P73 PolarHBondContact OG-O 3.16Å |
| 33 | D | 89 | Confident | 88.2 | Confident | 19 Ų | 19 | 37 Ų | 37 | 10% | 0.102 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -77.3 | 0.3 | 171 | 61 | -11 | 0 | 0 | 0 | 114.1 | M53 Y307 E308 I314 | D33-M53 WeakPolarHBondContact O-CB 3.32Å; D33-M53 WeakPolarHBondContact O-CG 3.16Å; D33-Y307 HydrophobicContact CB-CD2 3.63Å; D33-Y307 HydrophobicContact CB-CE2 4.24Å; D33-Y307 WeakPolarHBondContact OD2-CD2 3.37Å; D33-E308 PolarHBondContact OD2-N 2.92Å; D33-I314 HydrophobicContact CB-CD1 4.42Å; D33-I314 HydrophobicContact CB-CG2 4.05Å |
| 34 | K | 90.7 | Very high | 87.6 | Confident | 85 Ų | 85 | 43.9 Ų | 43.9 | 37% | 0.37 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -89.7 | -42.4 | -178.3 | -63.8 | -172.6 | 179.1 | 179.4 | 0 | 113.9 | S32 M53 | S32-K34 PolarHBondContact O-N 3.27Å; S32-K34 PolarHBondContact OG-N 3.45Å; K34-M53 PolarHBondContact O-N 2.84Å |
| 35 | Y | 91.3 | Very high | 87.1 | Confident | 24 Ų | 24 | 46.4 Ų | 46.4 | 9% | 0.094 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 131.9 | -172.3 | -53.2 | -66 | 0 | 0 | 0 | 112.4 | I51 D52 M71 K76 | Y35-I51 WeakPolarHBondContact CA-O 3.29Å; Y35-D52 HydrophobicContact CD1-CB 4.38Å; Y35-D52 HydrophobicContact CE1-CB 4.33Å; Y35-M71 HydrophobicContact CD1-CE 4.49Å; Y35-M71 HydrophobicContact CD2-CE 4.16Å; Y35-M71 HydrophobicContact CG-CE 4.16Å; Y35-K76 HydrophobicContact CE1-CG 4.38Å |
| 36 | I | 92.7 | Very high | 87.1 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 126.2 | 166.2 | -59.2 | 175.4 | 0 | 0 | 0 | 107.6 | L28 M30 I38 I51 M53 V316 V322 | L28-I36 HydrophobicContact CD1-CG2 4.09Å; L28-I36 HydrophobicContact CD2-CG2 4.01Å; L28-I36 HydrophobicContact CG-CG2 3.94Å; M30-I36 HydrophobicContact CG-CG1 4.13Å; M30-I36 HydrophobicContact SD-CD1 4.32Å; M30-I36 HydrophobicContact SD-CG1 4.07Å; I36-I38 HydrophobicContact CG2-CD1 4.07Å; I36-I38 HydrophobicContact CG2-CG1 4.04Å; I36-I51 HydrophobicContact CB-CB 4.29Å; I36-I51 HydrophobicContact CB-CD1 4.4Å; I36-I51 HydrophobicContact CG2-CD1 4.42Å; I36-I51 PolarHBondContact N-O 3.18Å; I36-I51 PolarHBondContact O-N 3.01Å; I36-M53 HydrophobicContact CD1-SD 3.64Å; I36-M53 HydrophobicContact CG1-SD 4.15Å; I36-V316 HydrophobicContact CD1-CG2 4.27Å; I36-V322 HydrophobicContact CD1-CG1 4.04Å; I36-V322 HydrophobicContact CD1-CG2 3.61Å |
| 37 | C | 92.6 | Very high | 87.4 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127 | -179.2 | -168.7 | 0 | 0 | 0 | 0 | 110.2 | L28 T29 V48 V69 M71 | L28-C37 CarbonylContact C-O 3.54Å; L28-C37 WeakPolarHBondContact CA-O 3.41Å; T29-C37 PolarHBondContact N-O 2.9Å; T29-C37 PolarHBondContact O-N 3.23Å; C37-V48 WeakPolarHBondContact SG-CG1 3.09Å; C37-V69 WeakPolarHBondContact SG-CG1 3.12Å; C37-M71 HydrophobicContact CB-CB 4.47Å; C37-M71 HydrophobicContact CB-CG 3.79Å |
| 38 | I | 91.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 127.3 | -172.8 | -58.2 | 152.1 | 0 | 0 | 0 | 109.3 | L13 V18 T27 L28 I36 V48 V49 I51 | L13-I38 HydrophobicContact CD1-CD1 4.21Å; L13-I38 HydrophobicContact CD2-CD1 4.3Å; V18-I38 HydrophobicContact CG1-CD1 4.03Å; V18-I38 HydrophobicContact CG1-CG2 4.02Å; V18-I38 HydrophobicContact CG2-CD1 3.83Å; T27-I38 CarbonylContact O-C 3.55Å; T27-I38 WeakPolarHBondContact O-CA 3.4Å; L28-I38 HydrophobicContact CB-CG1 4.25Å; L28-I38 HydrophobicContact CD1-CD1 4.21Å; L28-I38 HydrophobicContact CD1-CG1 3.79Å; L28-I38 HydrophobicContact CG-CG1 3.76Å; I36-I38 HydrophobicContact CG2-CD1 4.07Å; I36-I38 HydrophobicContact CG2-CG1 4.04Å; I38-V48 CarbonylContact O-C 3.57Å; I38-V48 WeakPolarHBondContact O-CA 3.45Å; I38-V49 HydrophobicContact CB-CB 4.36Å; I38-V49 PolarHBondContact N-O 3.25Å; I38-V49 PolarHBondContact O-N 2.99Å; I38-I51 HydrophobicContact CD1-CD1 3.51Å |
| 39 | R | 90.1 | Very high | 87.4 | Confident | 79 Ų | 79 | 40.7 Ų | 40.7 | 30% | 0.298 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 110.6 | 168.3 | -174 | 174.7 | 58.2 | 93.9 | 2.3 | 109 | A26 T27 A66 D67 | A26-R39 PolarHBondContact O-NH2 2.85Å; T27-R39 PolarHBondContact O-N 3.08Å; R39-A66 WeakPolarHBondContact CD-O 3.35Å; R39-D67 PolarHBondContact NE-O 3.43Å |
| 40 | E | 87 | Confident | 87.4 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 138.1 | -178.4 | -170.8 | 176.8 | -140 | 0 | 0 | 110 | H19 S22 V42 Q47 V49 R61 | H19-E40 HydrophobicContact CB-CG 4.46Å; H19-E40 WeakPolarHBondContact CB-OE1 3.35Å; H19-E40 PolarHBondContact N-OE1 3.36Å; S22-E40 WeakPolarHBondContact OG-CA 3.39Å; E40-V42 HydrophobicContact CG-CG2 3.84Å; E40-Q47 HydrophobicContact CB-CG 4.05Å; E40-Q47 PolarHBondContact N-O 3.45Å; E40-Q47 PolarHBondContact O-N 3.4Å; E40-Q47 PolarHBondContact OE2-NE2 3.5Å; E40-V49 HydrophobicContact CB-CG2 4.1Å; E40-V49 WeakPolarHBondContact OE2-CG2 3.43Å; E40-R61 IonicContact OE2-NH1 2.84Å; E40-R61 PolarHBondContact OE2-NH1 3Å |
| 41 | K | 82.1 | Confident | 87.4 | Confident | 132 Ų | 132 | 39.5 Ų | 39.5 | 57% | 0.574 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 112.7 | 173 | -168.6 | -179 | 179.5 | -174.8 | 0 | 108.1 | G43 S45 | K41-G43 VanDerWaalsContact CE-O 3.27Å; K41-G43 WeakPolarHBondContact CE-O 3.5Å; K41-S45 WeakPolarHBondContact CA-O 3.33Å |
| 42 | V | 77.6 | Confident | 87.3 | Confident | 74 Ų | 74 | 39.2 Ų | 39.2 | 45% | 0.448 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 99.2 | -179 | -175.2 | 0 | 0 | 0 | 0 | 108 | E40 D44 S45 | E40-V42 HydrophobicContact CG-CG2 3.84Å; V42-D44 PolarHBondContact O-N 3.44Å; V42-S45 PolarHBondContact N-O 3.21Å; V42-S45 PolarHBondContact O-N 3.13Å; V42-S45 PolarHBondContact O-OG 3.07Å |
| 43 | G | 78.8 | Confident | 87.2 | Confident | 63 Ų | 63 | 40.6 Ų | 40.6 | 65% | 0.649 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | -123.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K41 | K41-G43 VanDerWaalsContact CE-O 3.27Å; K41-G43 WeakPolarHBondContact CE-O 3.5Å |
| 44 | D | 74.8 | Confident | 87.1 | Confident | 158 Ų | 158 | 44.7 Ų | 44.7 | 85% | 0.845 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -11.1 | 177.4 | -71.8 | -36.9 | 0 | 0 | 0 | 114 | V42 | V42-D44 PolarHBondContact O-N 3.44Š|
| 45 | S | 77.4 | Confident | 86.9 | Confident | 71 Ų | 71 | 44 Ų | 44 | 50% | 0.497 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 132.8 | 179.8 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | K41 V42 | K41-S45 WeakPolarHBondContact CA-O 3.33Å; V42-S45 PolarHBondContact N-O 3.21Å; V42-S45 PolarHBondContact O-N 3.13Å; V42-S45 PolarHBondContact O-OG 3.07Å |
| 46 | A | 84 | Confident | 86.6 | Confident | 32 Ų | 32 | 44.1 Ų | 44.1 | 26% | 0.264 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 133.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 47 | Q | 89 | Confident | 86.3 | Confident | 37 Ų | 37 | 50.5 Ų | 50.5 | 17% | 0.173 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 158.5 | 175 | 69.1 | -178.1 | -1.9 | 0 | 0 | 111.3 | E40 V49 R62 | E40-Q47 HydrophobicContact CB-CG 4.05Å; E40-Q47 PolarHBondContact N-O 3.45Å; E40-Q47 PolarHBondContact O-N 3.4Å; E40-Q47 PolarHBondContact OE2-NE2 3.5Å; Q47-V49 HydrophobicContact CG-CG2 4.44Å; Q47-R62 CarbonylContact C-O 3.53Å; Q47-R62 WeakPolarHBondContact CA-O 3.47Å; Q47-R62 WeakPolarHBondContact CB-O 3.38Å |
| 48 | V | 90.2 | Very high | 86 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.9 | 173.6 | 176.5 | 0 | 0 | 0 | 0 | 107.9 | C37 I38 I50 R61 R62 I64 V69 I78 | C37-V48 WeakPolarHBondContact SG-CG1 3.09Å; I38-V48 CarbonylContact O-C 3.57Å; I38-V48 WeakPolarHBondContact O-CA 3.45Å; V48-I50 HydrophobicContact CG1-CG1 4.09Å; V48-R61 WeakPolarHBondContact O-CA 3.37Å; V48-R62 PolarHBondContact N-O 2.93Å; V48-R62 PolarHBondContact O-N 3.29Å; V48-I64 HydrophobicContact CB-CB 4.38Å; V48-I64 HydrophobicContact CB-CD1 4.42Å; V48-I64 HydrophobicContact CG2-CB 3.78Å; V48-I64 HydrophobicContact CG2-CD1 4.49Å; V48-I64 HydrophobicContact CG2-CG2 4.21Å; V48-V69 HydrophobicContact CG1-CG1 4.13Å; V48-V69 HydrophobicContact CG2-CG2 3.77Å; V48-I78 HydrophobicContact CG1-CD1 4.2Å |
| 49 | V | 91.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 119.6 | 176.7 | -172.2 | 0 | 0 | 0 | 0 | 107.9 | I38 E40 Q47 I51 P59 I60 R61 | I38-V49 HydrophobicContact CB-CB 4.36Å; I38-V49 PolarHBondContact N-O 3.25Å; I38-V49 PolarHBondContact O-N 2.99Å; E40-V49 HydrophobicContact CB-CG2 4.1Å; E40-V49 WeakPolarHBondContact OE2-CG2 3.43Å; Q47-V49 HydrophobicContact CG-CG2 4.44Å; V49-I51 HydrophobicContact CG1-CG1 4.36Å; V49-P59 HydrophobicContact CG1-CB 3.92Å; V49-I60 WeakPolarHBondContact CA-O 3.14Å; V49-R61 HydrophobicContact CG1-CG 4.25Å; V49-R61 HydrophobicContact CG2-CG 4.2Å |
| 50 | I | 91.7 | Very high | 85.7 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 120.3 | 177.8 | -53 | 169.1 | 0 | 0 | 0 | 107.3 | V48 I60 M71 I78 I91 | V48-I50 HydrophobicContact CG1-CG1 4.09Å; I50-I60 HydrophobicContact CB-CB 4.33Å; I50-I60 PolarHBondContact N-O 3.37Å; I50-I60 PolarHBondContact O-N 3.26Å; I50-M71 HydrophobicContact CD1-SD 3.97Å; I50-M71 HydrophobicContact CG1-SD 4.45Å; I50-M71 HydrophobicContact CG2-CE 4.25Å; I50-M71 HydrophobicContact CG2-CG 4.27Å; I50-M71 HydrophobicContact CG2-SD 4.28Å; I50-I78 HydrophobicContact CD1-CD1 3.86Å; I50-I78 HydrophobicContact CG1-CD1 4.48Å; I50-I91 HydrophobicContact CD1-CD1 3.49Å; I50-I91 VanDerWaalsContact CD1-CD1 3.49Å |
| 51 | I | 91.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 117.8 | 178 | -57.9 | 158.2 | 0 | 0 | 0 | 107.1 | L13 I16 V18 Y35 I36 I38 V49 M53 V56 P59 | L13-I51 HydrophobicContact CD2-CD1 3.35Å; I16-I51 HydrophobicContact CD1-CD1 3.44Å; I16-I51 VanDerWaalsContact CD1-CD1 3.44Å; I16-I51 HydrophobicContact CD1-CG1 3.87Å; I16-I51 HydrophobicContact CD1-CG2 4.32Å; V18-I51 HydrophobicContact CG2-CD1 4.48Å; Y35-I51 WeakPolarHBondContact CA-O 3.29Å; I36-I51 HydrophobicContact CB-CB 4.29Å; I36-I51 HydrophobicContact CB-CD1 4.4Å; I36-I51 HydrophobicContact CG2-CD1 4.42Å; I36-I51 PolarHBondContact N-O 3.18Å; I36-I51 PolarHBondContact O-N 3.01Å; I38-I51 HydrophobicContact CD1-CD1 3.51Å; V49-I51 HydrophobicContact CG1-CG1 4.36Å; I51-M53 HydrophobicContact CG2-SD 4.41Å; I51-V56 HydrophobicContact CG2-CG1 4.4Å; I51-P59 HydrophobicContact CG1-CB 4.19Å |
| 52 | D | 90.1 | Very high | 85.9 | Confident | 28 Ų | 28 | 58.7 Ų | 58.7 | 15% | 0.15 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 120.2 | 167.5 | -168 | -32.6 | 0 | 0 | 0 | 108.1 | Y35 S54 D55 V56 | Y35-D52 HydrophobicContact CD1-CB 4.38Å; Y35-D52 HydrophobicContact CE1-CB 4.33Å; D52-S54 VanDerWaalsContact CG-OG 3.22Å; D52-S54 PolarHBondContact O-N 3.46Å; D52-S54 WeakPolarHBondContact OD1-CB 3.35Å; D52-S54 PolarHBondContact OD1-N 3.37Å; D52-S54 PolarHBondContact OD1-OG 3.37Å; D52-S54 PolarHBondContact OD2-OG 2.99Å; D52-D55 CarbonylContact O-C 3.55Å; D52-D55 PolarHBondContact O-N 3.19Å; D52-V56 WeakPolarHBondContact O-CA 3.43Å; D52-V56 PolarHBondContact O-N 3.07Å; D52-V56 VanDerWaalsContact O-N 3.14Å |
| 53 | M | 88.5 | Confident | 86.1 | Confident | 35 Ų | 35 | 60.8 Ų | 60.8 | 17% | 0.172 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -13.6 | -179.3 | -68 | -60.6 | -61.3 | 0 | 0 | 112.8 | H10 V11 D33 K34 I36 I51 V56 V322 | H10-M53 HydrophobicContact CB-CE 3.82Å; V11-M53 HydrophobicContact CG1-CE 4.45Å; D33-M53 WeakPolarHBondContact O-CB 3.32Å; D33-M53 WeakPolarHBondContact O-CG 3.16Å; K34-M53 PolarHBondContact O-N 2.84Å; I36-M53 HydrophobicContact CD1-SD 3.64Å; I36-M53 HydrophobicContact CG1-SD 4.15Å; I51-M53 HydrophobicContact CG2-SD 4.41Å; M53-V56 HydrophobicContact CE-CG2 4.5Å; M53-V56 WeakPolarHBondContact O-CG2 3.46Å; M53-V56 HydrophobicContact SD-CG2 4.41Å; M53-V322 HydrophobicContact CE-CG1 3.88Å |
| 54 | S | 86.1 | Confident | 86.3 | Confident | 105 Ų | 105 | 59.8 Ų | 59.8 | 73% | 0.734 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -21.8 | 169.8 | 69.4 | 0 | 0 | 0 | 0 | 113.6 | D52 | D52-S54 VanDerWaalsContact CG-OG 3.22Å; D52-S54 PolarHBondContact O-N 3.46Å; D52-S54 WeakPolarHBondContact OD1-CB 3.35Å; D52-S54 PolarHBondContact OD1-N 3.37Å; D52-S54 PolarHBondContact OD1-OG 3.37Å; D52-S54 PolarHBondContact OD2-OG 2.99Å |
| 55 | D | 87.2 | Confident | 86.5 | Confident | 70 Ų | 70 | 57.2 Ų | 57.2 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -137.9 | 64.6 | 177.2 | -171.3 | 12.5 | 0 | 0 | 0 | 111.4 | D52 N57 N58 | D52-D55 CarbonylContact O-C 3.55Å; D52-D55 PolarHBondContact O-N 3.19Å; D55-N57 PolarHBondContact O-N 3.43Å; D55-N57 VanDerWaalsContact O-N 3.17Å; D55-N58 PolarHBondContact O-N 3.29Å; D55-N58 PolarHBondContact OD1-ND2 3.48Å; D55-N58 VanDerWaalsContact OD1-ND2 3.12Å; D55-N58 WeakPolarHBondContact OD2-CB 3.43Å; D55-N58 PolarHBondContact OD2-ND2 3.11Å |
| 56 | V | 85.9 | Confident | 86.8 | Confident | 28 Ų | 28 | 54.3 Ų | 54.3 | 17% | 0.17 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -27.9 | -172 | 179.2 | 0 | 0 | 0 | 0 | 113.2 | V11 I16 I51 D52 M53 N58 | V11-V56 HydrophobicContact CB-CG1 3.72Å; V11-V56 HydrophobicContact CG1-CG1 3.95Å; V11-V56 HydrophobicContact CG2-CG1 3.49Å; V11-V56 VanDerWaalsContact CG2-CG1 3.49Å; I16-V56 HydrophobicContact CG2-CG1 4.37Å; I51-V56 HydrophobicContact CG2-CG1 4.4Å; D52-V56 WeakPolarHBondContact O-CA 3.43Å; D52-V56 PolarHBondContact O-N 3.07Å; D52-V56 VanDerWaalsContact O-N 3.14Å; M53-V56 HydrophobicContact CE-CG2 4.5Å; M53-V56 WeakPolarHBondContact O-CG2 3.46Å; M53-V56 HydrophobicContact SD-CG2 4.41Å; V56-N58 VanDerWaalsContact C-N 3.3Å; V56-N58 PolarHBondContact O-N 2.98Å |
| 57 | N | 85 | Confident | 86.8 | Confident | 134 Ų | 134 | 57.1 Ų | 57.1 | 72% | 0.717 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -16.4 | -175.7 | -68.4 | -31.4 | 0 | 0 | 0 | 113.1 | D55 P59 | D55-N57 PolarHBondContact O-N 3.43Å; D55-N57 VanDerWaalsContact O-N 3.17Å; N57-P59 WeakPolarHBondContact O-CD 3.47Å |
| 58 | N | 86 | Confident | 86.7 | Confident | 106 Ų | 106 | 56.7 Ų | 56.7 | 57% | 0.567 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -117.6 | 69 | -177.7 | -62.8 | -44.6 | 0 | 0 | 0 | 111.9 | D55 V56 I60 | D55-N58 PolarHBondContact O-N 3.29Å; D55-N58 PolarHBondContact OD1-ND2 3.48Å; D55-N58 VanDerWaalsContact OD1-ND2 3.12Å; D55-N58 WeakPolarHBondContact OD2-CB 3.43Å; D55-N58 PolarHBondContact OD2-ND2 3.11Å; V56-N58 VanDerWaalsContact C-N 3.3Å; V56-N58 PolarHBondContact O-N 2.98Å; N58-I60 PolarHBondContact O-N 3.04Å |
| 59 | P | 87.4 | Confident | 86.7 | Confident | 31 Ų | 31 | 57 Ų | 57 | 20% | 0.201 | 32% | 0.318 | C | S | . | . | trans | -66.2 | 133.1 | 179.3 | 28.1 | -34.5 | 0 | 0 | 0 | 111.6 | V49 I51 N57 R61 | V49-P59 HydrophobicContact CG1-CB 3.92Å; I51-P59 HydrophobicContact CG1-CB 4.19Å; N57-P59 WeakPolarHBondContact O-CD 3.47Å; P59-R61 PolarHBondContact O-N 2.87Å | ||
| 60 | I | 88 | Confident | 86.8 | Confident | 60 Ų | 60 | 57.1 Ų | 57.1 | 31% | 0.308 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 114.3 | 178.3 | -58 | 171.7 | 0 | 0 | 0 | 108.5 | V49 I50 N58 R62 | V49-I60 WeakPolarHBondContact CA-O 3.14Å; I50-I60 HydrophobicContact CB-CB 4.33Å; I50-I60 PolarHBondContact N-O 3.37Å; I50-I60 PolarHBondContact O-N 3.26Å; N58-I60 PolarHBondContact O-N 3.04Å; I60-R62 HydrophobicContact CG2-CG 4.19Å |
| 61 | R | 88.1 | Confident | 86.8 | Confident | 90 Ų | 90 | 57 Ų | 57 | 34% | 0.34 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 125.8 | 177.8 | -59.5 | 179.5 | 177.5 | -101 | 2.9 | 110.2 | I16 G17 E40 V48 V49 P59 | I16-R61 PolarHBondContact O-NH2 3.15Å; G17-R61 PolarHBondContact O-NH2 3.33Å; E40-R61 IonicContact OE2-NH1 2.84Å; E40-R61 PolarHBondContact OE2-NH1 3Å; V48-R61 WeakPolarHBondContact O-CA 3.37Å; V49-R61 HydrophobicContact CG1-CG 4.25Å; V49-R61 HydrophobicContact CG2-CG 4.2Å; P59-R61 PolarHBondContact O-N 2.87Å |
| 62 | R | 85.5 | Confident | 86.8 | Confident | 105 Ų | 105 | 57 Ų | 57 | 40% | 0.396 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131.3 | 179.7 | -66.1 | -67.7 | -171.5 | 156.4 | 2 | 110.7 | Q47 V48 I60 I64 | Q47-R62 CarbonylContact C-O 3.53Å; Q47-R62 WeakPolarHBondContact CA-O 3.47Å; Q47-R62 WeakPolarHBondContact CB-O 3.38Å; V48-R62 PolarHBondContact N-O 2.93Å; V48-R62 PolarHBondContact O-N 3.29Å; I60-R62 HydrophobicContact CG2-CG 4.19Å; R62-I64 HydrophobicContact CB-CD1 3.68Å; R62-I64 HydrophobicContact CB-CG1 3.85Å; R62-I64 HydrophobicContact CG-CD1 4.45Å; R62-I64 PolarHBondContact O-N 3.48Å |
| 63 | P | 83.1 | Confident | 86.8 | Confident | 117 Ų | 117 | 56.6 Ų | 56.6 | 76% | 0.76 | 32% | 0.317 | S | S | * | . | trans | -76.3 | 75.3 | 178 | 32.6 | -35 | 0 | 0 | 0 | 110.4 | ||||
| 64 | I | 82.8 | Confident | 86.7 | Confident | 42 Ų | 42 | 56.9 Ų | 56.9 | 22% | 0.215 | 32% | 0.324 | C | S | . | . | trans | -109.8 | 115.8 | -177.9 | -61.3 | 170.2 | 0 | 0 | 0 | 108.9 | V48 R62 A66 L80 | V48-I64 HydrophobicContact CB-CB 4.38Å; V48-I64 HydrophobicContact CB-CD1 4.42Å; V48-I64 HydrophobicContact CG2-CB 3.78Å; V48-I64 HydrophobicContact CG2-CD1 4.49Å; V48-I64 HydrophobicContact CG2-CG2 4.21Å; R62-I64 HydrophobicContact CB-CD1 3.68Å; R62-I64 HydrophobicContact CB-CG1 3.85Å; R62-I64 HydrophobicContact CG-CD1 4.45Å; R62-I64 PolarHBondContact O-N 3.48Å; I64-A66 HydrophobicContact CG2-CB 3.99Å; I64-A66 PolarHBondContact O-N 2.84Å; I64-L80 HydrophobicContact CG2-CD1 3.87Å; I64-L80 HydrophobicContact CG2-CD2 3.85Å; I64-L80 HydrophobicContact CG2-CG 4.49Å | ||
| 65 | S | 79 | Confident | 86.8 | Confident | 105 Ų | 105 | 53.9 Ų | 53.9 | 73% | 0.734 | 30% | 0.303 | S | S | * | . | trans | -86.9 | 81.9 | 172.9 | -61.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 66 | A | 83.2 | Confident | 86.8 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | trans | -123.6 | 148.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | R39 I64 V69 L80 | R39-A66 WeakPolarHBondContact CD-O 3.35Å; I64-A66 HydrophobicContact CG2-CB 3.99Å; I64-A66 PolarHBondContact O-N 2.84Å; A66-V69 HydrophobicContact CB-CG2 3.92Å; A66-L80 HydrophobicContact CB-CB 4.31Å; A66-L80 HydrophobicContact CB-CD2 4.24Å | ||
| 67 | D | 83.8 | Confident | 87 | Confident | 91 Ų | 91 | 52.5 Ų | 52.5 | 49% | 0.487 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -70.9 | -37.3 | 179.4 | -62.3 | -35.1 | 0 | 0 | 0 | 111.4 | R39 K81 G83 | R39-D67 PolarHBondContact NE-O 3.43Å; D67-K81 PolarHBondContact N-O 2.91Å; D67-G83 PolarHBondContact OD2-N 2.92Å |
| 68 | S | 87.1 | Confident | 87.3 | Confident | 28 Ų | 28 | 46.3 Ų | 46.3 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 150.2 | 179.2 | -171.6 | 0 | 0 | 0 | 0 | 110.3 | K81 W109 | S68-K81 PolarHBondContact N-O 2.71Å; S68-K81 PolarHBondContact O-N 3.04Å; S68-W109 WeakPolarHBondContact O-CZ2 3.43Å; S68-W109 PolarHBondContact OG-NE1 3.27Å |
| 69 | V | 90.5 | Very high | 87.6 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 139 | -177.8 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | T29 C37 V48 A66 I78 A79 L80 | T29-V69 WeakPolarHBondContact CG2-O 3.42Å; T29-V69 PolarHBondContact OG1-O 3.27Å; C37-V69 WeakPolarHBondContact SG-CG1 3.12Å; V48-V69 HydrophobicContact CG1-CG1 4.13Å; V48-V69 HydrophobicContact CG2-CG2 3.77Å; A66-V69 HydrophobicContact CB-CG2 3.92Å; V69-I78 HydrophobicContact CG1-CD1 3.37Å; V69-I78 HydrophobicContact CG1-CG1 3.46Å; V69-I78 VanDerWaalsContact CG1-CG1 3.46Å; V69-A79 WeakPolarHBondContact CA-O 3.46Å; V69-L80 HydrophobicContact CB-CD2 4.24Å; V69-L80 HydrophobicContact CG1-CD2 3.75Å; V69-L80 HydrophobicContact CG2-CD2 3.61Å |
| 70 | V | 92 | Very high | 87.8 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 127.4 | 176.8 | -166.6 | 0 | 0 | 0 | 0 | 110.2 | T29 E31 A79 W109 | T29-V70 HydrophobicContact CG2-CG2 4.36Å; E31-V70 HydrophobicContact CG-CG1 3.36Å; V70-A79 PolarHBondContact N-O 3.42Å; V70-A79 PolarHBondContact O-N 3.47Å; V70-W109 HydrophobicContact CG2-CD2 4.08Å; V70-W109 HydrophobicContact CG2-CG 4.38Å; V70-W109 HydrophobicContact CG2-CH2 4.49Å; V70-W109 HydrophobicContact CG2-CZ2 3.81Å |
| 71 | M | 91.9 | Very high | 87.9 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.02 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 146.1 | 175.3 | -79.6 | -65 | -64.3 | 0 | 0 | 111.6 | E31 Y35 C37 I50 I78 I91 W111 | E31-M71 VanDerWaalsContact CG-O 3.3Å; E31-M71 WeakPolarHBondContact CG-O 3.48Å; Y35-M71 HydrophobicContact CD1-CE 4.49Å; Y35-M71 HydrophobicContact CD2-CE 4.16Å; Y35-M71 HydrophobicContact CG-CE 4.16Å; C37-M71 HydrophobicContact CB-CB 4.47Å; C37-M71 HydrophobicContact CB-CG 3.79Å; I50-M71 HydrophobicContact CD1-SD 3.97Å; I50-M71 HydrophobicContact CG1-SD 4.45Å; I50-M71 HydrophobicContact CG2-CE 4.25Å; I50-M71 HydrophobicContact CG2-CG 4.27Å; I50-M71 HydrophobicContact CG2-SD 4.28Å; M71-I78 HydrophobicContact SD-CB 3.64Å; M71-I78 HydrophobicContact SD-CD1 3.84Å; M71-I78 HydrophobicContact SD-CG1 3.68Å; M71-I91 HydrophobicContact CE-CD1 4.06Å; M71-I91 HydrophobicContact SD-CD1 3.94Å; M71-W111 PolarHBondContact O-NE1 3.38Å |
| 72 | N | 93 | Very high | 87.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -63.6 | 143.8 | 171.8 | -176.6 | -84.7 | 0 | 0 | 0 | 110.7 | A74 S75 V77 W111 V114 | N72-A74 VanDerWaalsContact C-N 3.27Å; N72-A74 PolarHBondContact O-N 3.48Å; N72-A74 PolarHBondContact OD1-N 2.96Å; N72-A74 VanDerWaalsContact OD1-N 3.09Å; N72-S75 PolarHBondContact OD1-N 3.02Å; N72-S75 PolarHBondContact OD1-OG 3.43Å; N72-V77 HydrophobicContact CB-CB 3.82Å; N72-V77 HydrophobicContact CB-CG1 4.42Å; N72-V77 VanDerWaalsContact CB-O 3.26Å; N72-V77 WeakPolarHBondContact CB-O 3.32Å; N72-V77 PolarHBondContact N-O 3.39Å; N72-W111 HydrophobicContact CB-CZ2 4.26Å; N72-V114 PolarHBondContact ND2-O 3.01Å | ||
| 73 | P | 88.8 | Confident | 87.9 | Confident | 20 Ų | 20 | 34 Ų | 34 | 13% | 0.13 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -61.9 | -29.6 | -175.2 | -24.8 | 33.6 | 0 | 0 | 0 | 114.8 | E31 S32 W111 | E31-P73 HydrophobicContact CB-CG 4.26Å; S32-P73 VanDerWaalsContact CB-O 3.28Å; S32-P73 WeakPolarHBondContact CB-O 3.33Å; S32-P73 PolarHBondContact OG-O 3.16Å; P73-W111 HydrophobicContact CG-CB 3.7Å; P73-W111 HydrophobicContact CG-CG 4.3Å |
| 74 | A | 87.4 | Confident | 88.2 | Confident | 40 Ų | 40 | 32.9 Ų | 32.9 | 33% | 0.331 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -121.2 | -34.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N72 V114 | N72-A74 VanDerWaalsContact C-N 3.27Å; N72-A74 PolarHBondContact O-N 3.48Å; N72-A74 PolarHBondContact OD1-N 2.96Å; N72-A74 VanDerWaalsContact OD1-N 3.09Å; A74-V114 HydrophobicContact CB-CG1 4.05Å; A74-V114 HydrophobicContact CB-CG2 3.89Å |
| 75 | S | 87 | Confident | 88.6 | Confident | 42 Ų | 42 | 33.2 Ų | 33.2 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -109.4 | 161.7 | -172.6 | 63.1 | 0 | 0 | 0 | 0 | 112.5 | N72 V77 | N72-S75 PolarHBondContact OD1-N 3.02Å; N72-S75 PolarHBondContact OD1-OG 3.43Å; S75-V77 PolarHBondContact O-N 3.39Å; S75-V77 WeakPolarHBondContact OG-CG2 3.23Å |
| 76 | K | 86.8 | Confident | 89.1 | Confident | 67 Ų | 67 | 28.2 Ų | 28.2 | 29% | 0.291 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -77.5 | 51.9 | 174.6 | -68.4 | -179 | 175.6 | 176.2 | 0 | 111.9 | Y35 I91 D92 | Y35-K76 HydrophobicContact CE1-CG 4.38Å; K76-I91 HydrophobicContact CB-CB 4.34Å; K76-I91 VanDerWaalsContact O-CB 3.28Å; K76-I91 WeakPolarHBondContact O-CB 3.35Å; K76-I91 WeakPolarHBondContact O-CG1 3.28Å; K76-I91 PolarHBondContact O-N 2.91Å; K76-D92 WeakPolarHBondContact CD-OD1 3.49Å; K76-D92 WeakPolarHBondContact CD-OD2 3.39Å |
| 77 | V | 90.5 | Very high | 89.5 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 133.3 | 178.3 | 173.3 | 0 | 0 | 0 | 0 | 108.2 | N72 S75 I88 F89 N90 M130 | N72-V77 HydrophobicContact CB-CB 3.82Å; N72-V77 HydrophobicContact CB-CG1 4.42Å; N72-V77 VanDerWaalsContact CB-O 3.26Å; N72-V77 WeakPolarHBondContact CB-O 3.32Å; N72-V77 PolarHBondContact N-O 3.39Å; S75-V77 PolarHBondContact O-N 3.39Å; S75-V77 WeakPolarHBondContact OG-CG2 3.23Å; V77-I88 HydrophobicContact CG1-CG2 3.35Å; V77-F89 CarbonylContact C-O 3.56Å; V77-F89 WeakPolarHBondContact CA-O 3.44Å; V77-N90 HydrophobicContact CG2-CB 4.4Å; V77-M130 HydrophobicContact CB-CE 4.28Å; V77-M130 HydrophobicContact CG1-CE 3.66Å; V77-M130 HydrophobicContact CG1-SD 3.97Å; V77-M130 HydrophobicContact CG2-CE 3.7Å; V77-M130 HydrophobicContact CG2-SD 4.49Å |
| 78 | I | 91.5 | Very high | 89.9 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.2 | -175.6 | -164 | 167.5 | 0 | 0 | 0 | 110.7 | V48 I50 V69 M71 L80 I88 F89 I91 | V48-I78 HydrophobicContact CG1-CD1 4.2Å; I50-I78 HydrophobicContact CD1-CD1 3.86Å; I50-I78 HydrophobicContact CG1-CD1 4.48Å; V69-I78 HydrophobicContact CG1-CD1 3.37Å; V69-I78 HydrophobicContact CG1-CG1 3.46Å; V69-I78 VanDerWaalsContact CG1-CG1 3.46Å; M71-I78 HydrophobicContact SD-CB 3.64Å; M71-I78 HydrophobicContact SD-CD1 3.84Å; M71-I78 HydrophobicContact SD-CG1 3.68Å; I78-L80 HydrophobicContact CD1-CD2 4.13Å; I78-L80 HydrophobicContact CG1-CD2 4.07Å; I78-I88 CarbonylContact O-C 3.1Å; I78-I88 WeakPolarHBondContact O-CA 3.4Å; I78-F89 HydrophobicContact CG2-CB 3.84Å; I78-F89 PolarHBondContact N-O 3.29Å; I78-F89 PolarHBondContact O-N 3.1Å; I78-I91 HydrophobicContact CB-CD1 4.09Å; I78-I91 HydrophobicContact CB-CG1 4.32Å; I78-I91 HydrophobicContact CG2-CD1 4.17Å; I78-I91 HydrophobicContact CG2-CG1 3.92Å |
| 79 | A | 92.3 | Very high | 90 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 128.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | V69 V70 Q87 I88 W109 W111 L117 | V69-A79 WeakPolarHBondContact CA-O 3.46Å; V70-A79 PolarHBondContact N-O 3.42Å; V70-A79 PolarHBondContact O-N 3.47Å; A79-Q87 CarbonylContact C-O 3.53Å; A79-Q87 WeakPolarHBondContact CA-O 3.28Å; A79-I88 HydrophobicContact CB-CG1 4.39Å; A79-W109 VanDerWaalsContact C-CH2 3.46Å; A79-W109 HydrophobicContact CB-CH2 3.9Å; A79-W109 HydrophobicContact CB-CZ3 3.69Å; A79-W109 WeakPolarHBondContact O-CH2 3.29Å; A79-W111 HydrophobicContact CB-CZ2 4.26Å; A79-L117 HydrophobicContact CB-CD2 3.98Å |
| 80 | L | 91.4 | Very high | 89.8 | Confident | 16 Ų | 16 | 29.3 Ų | 29.3 | 8% | 0.084 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 136.6 | -179 | -56.8 | 176.8 | 0 | 0 | 0 | 109.9 | I64 A66 V69 I78 L86 Q87 F89 W109 | I64-L80 HydrophobicContact CG2-CD1 3.87Å; I64-L80 HydrophobicContact CG2-CD2 3.85Å; I64-L80 HydrophobicContact CG2-CG 4.49Å; A66-L80 HydrophobicContact CB-CB 4.31Å; A66-L80 HydrophobicContact CB-CD2 4.24Å; V69-L80 HydrophobicContact CB-CD2 4.24Å; V69-L80 HydrophobicContact CG1-CD2 3.75Å; V69-L80 HydrophobicContact CG2-CD2 3.61Å; I78-L80 HydrophobicContact CD1-CD2 4.13Å; I78-L80 HydrophobicContact CG1-CD2 4.07Å; L80-L86 CarbonylContact O-C 3.56Å; L80-L86 WeakPolarHBondContact O-CA 3.33Å; L80-Q87 PolarHBondContact N-O 3.23Å; L80-Q87 PolarHBondContact O-N 2.88Å; L80-F89 HydrophobicContact CD1-CD2 3.76Å; L80-F89 HydrophobicContact CD1-CE2 4Å; L80-F89 HydrophobicContact CG-CD2 4.49Å; L80-W109 VanDerWaalsContact C-CH2 3.43Å |
| 81 | K | 90.6 | Very high | 89.4 | Confident | 38 Ų | 38 | 30.5 Ų | 30.5 | 17% | 0.165 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 125.7 | 173 | 174.4 | -168.6 | 144.8 | -175.3 | 0 | 109.3 | D67 S68 G83 T85 L86 V106 W109 | D67-K81 PolarHBondContact N-O 2.91Å; S68-K81 PolarHBondContact N-O 2.71Å; S68-K81 PolarHBondContact O-N 3.04Å; K81-G83 WeakPolarHBondContact CE-O 3.33Å; K81-T85 WeakPolarHBondContact CA-O 3.45Å; K81-L86 HydrophobicContact CB-CD2 3.78Å; K81-L86 HydrophobicContact CD-CD2 4.46Å; K81-L86 HydrophobicContact CG-CD2 3.83Å; K81-V106 HydrophobicContact CD-CB 4.41Å; K81-V106 PolarHBondContact NZ-O 2.62Å; K81-W109 HydrophobicContact CB-CH2 3.63Å; K81-W109 HydrophobicContact CB-CZ2 3.6Å; K81-W109 HydrophobicContact CB-CZ3 4.2Å |
| 82 | A | 87.2 | Confident | 89 | Confident | 44 Ų | 44 | 35.4 Ų | 35.4 | 36% | 0.364 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 107.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | K84 T85 | A82-K84 PolarHBondContact O-N 2.86Å; A82-T85 PolarHBondContact N-O 3.44Å; A82-T85 PolarHBondContact O-N 3.14Å; A82-T85 PolarHBondContact O-OG1 2.93Å |
| 83 | G | 86.6 | Confident | 88.6 | Confident | 36 Ų | 36 | 41.5 Ų | 41.5 | 37% | 0.371 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | -117.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D67 K81 | D67-G83 PolarHBondContact OD2-N 2.92Å; K81-G83 WeakPolarHBondContact CE-O 3.33Å |
| 84 | K | 88.6 | Confident | 88.2 | Confident | 92 Ų | 92 | 48.8 Ų | 48.8 | 40% | 0.4 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -7.2 | 177.3 | -64.5 | -175.5 | 179.5 | -167.8 | 0 | 114 | A82 T101 M102 T103 D105 | A82-K84 PolarHBondContact O-N 2.86Å; K84-T101 HydrophobicContact CB-CG2 4.24Å; K84-T101 WeakPolarHBondContact O-CA 3.44Å; K84-M102 PolarHBondContact O-N 3.36Å; K84-T103 PolarHBondContact NZ-O 2.95Å; K84-D105 WeakPolarHBondContact CE-OD1 3.23Å; K84-D105 WeakPolarHBondContact CG-OD1 3.41Å |
| 85 | T | 90.5 | Very high | 88.1 | Confident | 49 Ų | 49 | 49 Ų | 49 | 30% | 0.301 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 129.8 | -178.9 | 65.9 | 0 | 0 | 0 | 0 | 110.6 | K81 A82 T101 | K81-T85 WeakPolarHBondContact CA-O 3.45Å; A82-T85 PolarHBondContact N-O 3.44Å; A82-T85 PolarHBondContact O-N 3.14Å; A82-T85 PolarHBondContact O-OG1 2.93Å; T85-T101 HydrophobicContact CG2-CG2 4.03Å |
| 86 | L | 91.4 | Very high | 87.9 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 133 | 176.3 | -57.6 | 174.3 | 0 | 0 | 0 | 108.6 | L80 K81 A99 H100 M102 V106 W109 L119 W128 | L80-L86 CarbonylContact O-C 3.56Å; L80-L86 WeakPolarHBondContact O-CA 3.33Å; K81-L86 HydrophobicContact CB-CD2 3.78Å; K81-L86 HydrophobicContact CD-CD2 4.46Å; K81-L86 HydrophobicContact CG-CD2 3.83Å; L86-A99 CarbonylContact O-C 3.57Å; L86-A99 VanDerWaalsContact O-CA 3.25Å; L86-A99 WeakPolarHBondContact O-CA 3.28Å; L86-H100 PolarHBondContact N-O 3.21Å; L86-H100 PolarHBondContact O-N 3.25Å; L86-M102 HydrophobicContact CD1-CG 3.72Å; L86-M102 HydrophobicContact CD1-SD 4.36Å; L86-M102 HydrophobicContact CG-CG 4.34Å; L86-V106 HydrophobicContact CD1-CG2 4.3Å; L86-V106 HydrophobicContact CD2-CG2 4.48Å; L86-W109 HydrophobicContact CD2-CE3 4.02Å; L86-W109 HydrophobicContact CD2-CZ3 3.86Å; L86-L119 HydrophobicContact CD1-CD1 3.43Å; L86-L119 VanDerWaalsContact CD1-CD1 3.43Å; L86-L119 HydrophobicContact CD1-CD2 3.63Å; L86-L119 HydrophobicContact CD1-CG 4.15Å; L86-W128 HydrophobicContact CB-CH2 4.25Å; L86-W128 HydrophobicContact CB-CZ3 3.79Å; L86-W128 HydrophobicContact CD1-CE3 4.5Å; L86-W128 HydrophobicContact CD1-CZ3 4.44Å |
| 87 | Q | 90.8 | Very high | 87.9 | Confident | 71 Ų | 71 | 52.1 Ų | 52.1 | 33% | 0.332 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 135.4 | 179.5 | -61.5 | -179.5 | -11.2 | 0 | 0 | 109.8 | A79 L80 F89 K98 A99 | A79-Q87 CarbonylContact C-O 3.53Å; A79-Q87 WeakPolarHBondContact CA-O 3.28Å; L80-Q87 PolarHBondContact N-O 3.23Å; L80-Q87 PolarHBondContact O-N 2.88Å; Q87-F89 HydrophobicContact CB-CD2 4.13Å; Q87-F89 HydrophobicContact CB-CE2 3.7Å; Q87-F89 HydrophobicContact CG-CE2 4.49Å; Q87-F89 VanDerWaalsContact OE1-CE2 3.28Å; Q87-K98 CarbonylContact C-O 3.49Å; Q87-K98 WeakPolarHBondContact CA-O 3.39Å; Q87-A99 HydrophobicContact CG-CB 4.06Å |
| 88 | I | 91.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124.3 | 173.5 | -59.4 | 175.8 | 0 | 0 | 0 | 107.2 | V77 I78 A79 V97 K98 W111 W128 M130 | V77-I88 HydrophobicContact CG1-CG2 3.35Å; I78-I88 CarbonylContact O-C 3.1Å; I78-I88 WeakPolarHBondContact O-CA 3.4Å; A79-I88 HydrophobicContact CB-CG1 4.39Å; I88-V97 HydrophobicContact CB-CB 4.37Å; I88-V97 HydrophobicContact CG2-CB 4.06Å; I88-V97 HydrophobicContact CG2-CG2 4.45Å; I88-V97 PolarHBondContact O-N 3.38Å; I88-K98 HydrophobicContact CB-CB 4.3Å; I88-K98 HydrophobicContact CD1-CB 4.36Å; I88-K98 PolarHBondContact N-O 3.26Å; I88-K98 PolarHBondContact O-N 3.34Å; I88-W111 HydrophobicContact CD1-CH2 4.34Å; I88-W128 HydrophobicContact CD1-CD2 4.39Å; I88-W128 HydrophobicContact CD1-CE3 3.9Å; I88-W128 HydrophobicContact CD1-CH2 3.92Å; I88-W128 HydrophobicContact CD1-CZ2 4.41Å; I88-W128 HydrophobicContact CD1-CZ3 3.63Å; I88-W128 HydrophobicContact CG1-CE3 4.44Å; I88-W128 HydrophobicContact CG1-CH2 3.95Å; I88-W128 HydrophobicContact CG1-CZ3 3.72Å; I88-M130 HydrophobicContact CG2-CE 4.37Å |
| 89 | F | 89.5 | Confident | 87.7 | Confident | 58 Ų | 58 | 55.2 Ų | 55.2 | 25% | 0.254 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 138.6 | 177.6 | -79.2 | -90.4 | 0 | 0 | 0 | 110.7 | V77 I78 L80 Q87 S95 K96 | V77-F89 CarbonylContact C-O 3.56Å; V77-F89 WeakPolarHBondContact CA-O 3.44Å; I78-F89 HydrophobicContact CG2-CB 3.84Å; I78-F89 PolarHBondContact N-O 3.29Å; I78-F89 PolarHBondContact O-N 3.1Å; L80-F89 HydrophobicContact CD1-CD2 3.76Å; L80-F89 HydrophobicContact CD1-CE2 4Å; L80-F89 HydrophobicContact CG-CD2 4.49Å; Q87-F89 HydrophobicContact CB-CD2 4.13Å; Q87-F89 HydrophobicContact CB-CE2 3.7Å; Q87-F89 HydrophobicContact CG-CE2 4.49Å; Q87-F89 VanDerWaalsContact OE1-CE2 3.28Å; F89-S95 WeakPolarHBondContact CA-O 3.48Å; F89-K96 HydrophobicContact CD1-CB 3.98Å; F89-K96 HydrophobicContact CE1-CB 3.55Å; F89-K96 HydrophobicContact CE1-CG 4.02Å; F89-K96 HydrophobicContact CE2-CG 4.39Å; F89-K96 HydrophobicContact CZ-CB 4Å; F89-K96 HydrophobicContact CZ-CD 4.32Å; F89-K96 HydrophobicContact CZ-CG 3.96Å |
| 90 | N | 87.9 | Confident | 87.6 | Confident | 29 Ų | 29 | 57.5 Ų | 57.5 | 16% | 0.155 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 116.5 | 165.1 | -173.4 | -45.3 | 0 | 0 | 0 | 107.9 | V77 D92 M93 K94 S95 V97 | V77-N90 HydrophobicContact CG2-CB 4.4Å; N90-D92 PolarHBondContact OD1-N 3.5Å; N90-M93 HydrophobicContact CB-CB 4.14Å; N90-M93 HydrophobicContact CB-CE 4.01Å; N90-M93 WeakPolarHBondContact ND2-CE 3.49Å; N90-M93 PolarHBondContact OD1-N 2.95Å; N90-K94 WeakPolarHBondContact O-CA 3.47Å; N90-K94 PolarHBondContact O-N 2.92Å; N90-S95 PolarHBondContact N-O 3.38Å; N90-S95 PolarHBondContact O-N 2.68Å; N90-V97 HydrophobicContact CB-CG2 3.73Å |
| 91 | I | 83.7 | Confident | 87.6 | Confident | 27 Ų | 27 | 61.1 Ų | 61.1 | 14% | 0.138 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -39.3 | -175.1 | -60.5 | 173 | 0 | 0 | 0 | 110.7 | I50 M71 K76 I78 K94 | I50-I91 HydrophobicContact CD1-CD1 3.49Å; I50-I91 VanDerWaalsContact CD1-CD1 3.49Å; M71-I91 HydrophobicContact CE-CD1 4.06Å; M71-I91 HydrophobicContact SD-CD1 3.94Å; K76-I91 HydrophobicContact CB-CB 4.34Å; K76-I91 VanDerWaalsContact O-CB 3.28Å; K76-I91 WeakPolarHBondContact O-CB 3.35Å; K76-I91 WeakPolarHBondContact O-CG1 3.28Å; K76-I91 PolarHBondContact O-N 2.91Å; I78-I91 HydrophobicContact CB-CD1 4.09Å; I78-I91 HydrophobicContact CB-CG1 4.32Å; I78-I91 HydrophobicContact CG2-CD1 4.17Å; I78-I91 HydrophobicContact CG2-CG1 3.92Å; I91-K94 PolarHBondContact O-N 3.07Å |
| 92 | D | 83.3 | Confident | 87.7 | Confident | 107 Ų | 107 | 59.8 Ų | 59.8 | 57% | 0.572 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -44.8 | -177.3 | -67 | -27.8 | 0 | 0 | 0 | 110.9 | K76 N90 K94 | K76-D92 WeakPolarHBondContact CD-OD1 3.49Å; K76-D92 WeakPolarHBondContact CD-OD2 3.39Å; N90-D92 PolarHBondContact OD1-N 3.5Å; D92-K94 PolarHBondContact O-N 3.23Å |
| 93 | M | 83.7 | Confident | 87.7 | Confident | 128 Ų | 128 | 62.7 Ų | 62.7 | 63% | 0.631 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -6.4 | 176.1 | -61.1 | -159.7 | -68.7 | 0 | 0 | 113.4 | N90 S95 | N90-M93 HydrophobicContact CB-CB 4.14Å; N90-M93 HydrophobicContact CB-CE 4.01Å; N90-M93 WeakPolarHBondContact ND2-CE 3.49Å; N90-M93 PolarHBondContact OD1-N 2.95Å; M93-S95 WeakPolarHBondContact CB-OG 3.5Å; M93-S95 PolarHBondContact O-N 3.47Å |
| 94 | K | 80.2 | Confident | 87.8 | Confident | 173 Ų | 173 | 64 Ų | 64 | 75% | 0.752 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 31.1 | -173 | -59.8 | 179.2 | -177.9 | 172.9 | 0 | 113.4 | N90 I91 D92 | N90-K94 WeakPolarHBondContact O-CA 3.47Å; N90-K94 PolarHBondContact O-N 2.92Å; I91-K94 PolarHBondContact O-N 3.07Å; D92-K94 PolarHBondContact O-N 3.23Å |
| 95 | S | 84.8 | Confident | 87.7 | Confident | 44 Ų | 44 | 63.9 Ų | 63.9 | 31% | 0.308 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 145.4 | -172.4 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | F89 N90 M93 V97 | F89-S95 WeakPolarHBondContact CA-O 3.48Å; N90-S95 PolarHBondContact N-O 3.38Å; N90-S95 PolarHBondContact O-N 2.68Å; M93-S95 WeakPolarHBondContact CB-OG 3.5Å; M93-S95 PolarHBondContact O-N 3.47Å; S95-V97 PolarHBondContact O-N 3.45Å |
| 96 | K | 84.6 | Confident | 87.8 | Confident | 125 Ų | 125 | 61.7 Ų | 61.7 | 54% | 0.543 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 118.4 | 170.1 | -171.7 | -177.8 | 72.2 | -174.1 | 0 | 107.7 | F89 A99 | F89-K96 HydrophobicContact CD1-CB 3.98Å; F89-K96 HydrophobicContact CE1-CB 3.55Å; F89-K96 HydrophobicContact CE1-CG 4.02Å; F89-K96 HydrophobicContact CE2-CG 4.39Å; F89-K96 HydrophobicContact CZ-CB 4Å; F89-K96 HydrophobicContact CZ-CD 4.32Å; F89-K96 HydrophobicContact CZ-CG 3.96Å; K96-A99 HydrophobicContact CD-CB 4.16Å |
| 97 | V | 84.9 | Confident | 87.7 | Confident | 49 Ų | 49 | 64.4 Ų | 64.4 | 30% | 0.297 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -49 | 177.6 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | I88 N90 S95 M130 | I88-V97 HydrophobicContact CB-CB 4.37Å; I88-V97 HydrophobicContact CG2-CB 4.06Å; I88-V97 HydrophobicContact CG2-CG2 4.45Å; I88-V97 PolarHBondContact O-N 3.38Å; N90-V97 HydrophobicContact CB-CG2 3.73Å; S95-V97 PolarHBondContact O-N 3.45Å; V97-M130 HydrophobicContact CB-CE 4.24Å; V97-M130 HydrophobicContact CG1-CE 3.69Å; V97-M130 HydrophobicContact CG1-CG 4.1Å; V97-M130 HydrophobicContact CG2-CE 3.9Å |
| 98 | K | 88.2 | Confident | 87.7 | Confident | 19 Ų | 19 | 62.4 Ų | 62.4 | 8% | 0.083 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 150.3 | -173.8 | -102.2 | 176.7 | 157.3 | 161.4 | 0 | 111.4 | Q87 I88 W128 S129 M130 E131 G132 S134 | Q87-K98 CarbonylContact C-O 3.49Å; Q87-K98 WeakPolarHBondContact CA-O 3.39Å; I88-K98 HydrophobicContact CB-CB 4.3Å; I88-K98 HydrophobicContact CD1-CB 4.36Å; I88-K98 PolarHBondContact N-O 3.26Å; I88-K98 PolarHBondContact O-N 3.34Å; K98-W128 HydrophobicContact CB-CH2 4.07Å; K98-W128 HydrophobicContact CB-CZ2 3.73Å; K98-W128 HydrophobicContact CD-CZ2 4.19Å; K98-W128 HydrophobicContact CG-CZ2 4.29Å; K98-S129 PolarHBondContact NZ-O 3.4Å; K98-M130 PolarHBondContact NZ-O 2.72Å; K98-E131 PolarHBondContact NZ-O 3.24Å; K98-G132 WeakPolarHBondContact CE-O 3.32Å; K98-G132 PolarHBondContact NZ-O 2.89Å; K98-S134 PolarHBondContact NZ-O 3.19Å; K98-S134 PolarHBondContact NZ-OG 3.1Å |
| 99 | A | 90 | Very high | 87.8 | Confident | 53 Ų | 53 | 63.1 Ų | 63.1 | 44% | 0.438 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 143.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L86 Q87 K96 | L86-A99 CarbonylContact O-C 3.57Å; L86-A99 VanDerWaalsContact O-CA 3.25Å; L86-A99 WeakPolarHBondContact O-CA 3.28Å; Q87-A99 HydrophobicContact CG-CB 4.06Å; K96-A99 HydrophobicContact CD-CB 4.16Å |
| 100 | H | 91 | Very high | 88 | Confident | 49 Ų | 49 | 61.3 Ų | 61.3 | 23% | 0.227 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 141.3 | 177.2 | -172.8 | 76 | 0 | 0 | 0 | 110.9 | L86 W128 P136 | L86-H100 PolarHBondContact N-O 3.21Å; L86-H100 PolarHBondContact O-N 3.25Å; H100-W128 HydrophobicContact CB-CH2 4.08Å; H100-W128 HydrophobicContact CB-CZ2 3.76Å; H100-P136 VanDerWaalsContact CD2-CG 3.44Å; H100-P136 WeakPolarHBondContact CD2-CG 3.26Å |
| 101 | T | 92.1 | Very high | 88.2 | Confident | 92 Ų | 92 | 60.4 Ų | 60.4 | 56% | 0.564 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107 | 112.9 | 176.1 | -54.3 | 0 | 0 | 0 | 0 | 109.2 | K84 T85 | K84-T101 HydrophobicContact CB-CG2 4.24Å; K84-T101 WeakPolarHBondContact O-CA 3.44Å; T85-T101 HydrophobicContact CG2-CG2 4.03Å |
| 102 | M | 90.9 | Very high | 88.6 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 5% | 0.049 | 33% | 0.329 | C | S | . | . | trans | -71.5 | 152.9 | 178.9 | -67.6 | -69 | -67.9 | 0 | 0 | 111.6 | K84 L86 D104 V106 L119 T121 Y126 P136 | K84-M102 PolarHBondContact O-N 3.36Å; L86-M102 HydrophobicContact CD1-CG 3.72Å; L86-M102 HydrophobicContact CD1-SD 4.36Å; L86-M102 HydrophobicContact CG-CG 4.34Å; M102-D104 WeakPolarHBondContact CB-O 3.43Å; M102-V106 HydrophobicContact CB-CG2 4.32Å; M102-V106 HydrophobicContact CE-CG2 4.41Å; M102-V106 HydrophobicContact CG-CG2 3.77Å; M102-L119 HydrophobicContact CE-CD1 4.49Å; M102-L119 HydrophobicContact SD-CD1 3.99Å; M102-T121 HydrophobicContact CE-CG2 3.82Å; M102-Y126 HydrophobicContact CE-CD2 3.89Å; M102-Y126 HydrophobicContact CE-CE2 4.04Å; M102-Y126 HydrophobicContact CE-CG 4.17Å; M102-P136 HydrophobicContact SD-CB 4.16Å; M102-P136 HydrophobicContact SD-CG 4Å | ||
| 103 | T | 88.1 | Confident | 88.9 | Confident | 105 Ų | 105 | 58.4 Ų | 58.4 | 64% | 0.644 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -73.9 | -43.5 | 172.8 | 53.6 | 0 | 0 | 0 | 0 | 111.8 | K84 | K84-T103 PolarHBondContact NZ-O 2.95Š|
| 104 | D | 87.9 | Confident | 89.1 | Confident | 63 Ų | 63 | 55.2 Ų | 55.2 | 34% | 0.337 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -104.4 | 154.7 | -179.4 | -63.2 | -17.8 | 0 | 0 | 0 | 110.7 | M102 V106 T121 S123 | M102-D104 WeakPolarHBondContact CB-O 3.43Å; D104-V106 PolarHBondContact O-N 3.26Å; D104-T121 HydrophobicContact CB-CG2 3.91Å; D104-S123 PolarHBondContact OD2-OG 3.33Å |
| 105 | D | 88.1 | Confident | 89.6 | Confident | 90 Ų | 90 | 50 Ų | 50 | 48% | 0.481 | 28% | 0.284 | S | S | . | . | trans | -67.2 | 130 | 174.5 | -67.4 | -33.5 | 0 | 0 | 0 | 111 | K84 A107 T121 | K84-D105 WeakPolarHBondContact CE-OD1 3.23Å; K84-D105 WeakPolarHBondContact CG-OD1 3.41Å; D105-A107 PolarHBondContact O-N 3.01Å; D105-T121 WeakPolarHBondContact O-CA 2.68Å | ||
| 106 | V | 91 | Very high | 90 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 108.1 | 174 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | K81 L86 M102 D104 F108 W109 L119 V120 | K81-V106 HydrophobicContact CD-CB 4.41Å; K81-V106 PolarHBondContact NZ-O 2.62Å; L86-V106 HydrophobicContact CD1-CG2 4.3Å; L86-V106 HydrophobicContact CD2-CG2 4.48Å; M102-V106 HydrophobicContact CB-CG2 4.32Å; M102-V106 HydrophobicContact CE-CG2 4.41Å; M102-V106 HydrophobicContact CG-CG2 3.77Å; D104-V106 PolarHBondContact O-N 3.26Å; V106-F108 VanDerWaalsContact CG1-O 3.3Å; V106-F108 WeakPolarHBondContact CG1-O 3.23Å; V106-W109 HydrophobicContact CG1-CB 3.94Å; V106-W109 HydrophobicContact CG1-CG 4.32Å; V106-L119 HydrophobicContact CG1-CB 4.3Å; V106-L119 HydrophobicContact CG1-CD2 4.39Å; V106-L119 HydrophobicContact CG2-CB 4.49Å; V106-V120 CarbonylContact C-O 3.55Å |
| 107 | A | 89.3 | Confident | 90.4 | Very high | 59 Ų | 59 | 43 Ų | 43 | 49% | 0.488 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | -33 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | D105 V120 L122 | D105-A107 PolarHBondContact O-N 3.01Å; A107-V120 PolarHBondContact N-O 2.82Å; A107-L122 HydrophobicContact CB-CD2 4.42Å |
| 108 | F | 91.6 | Very high | 90.8 | Very high | 28 Ų | 28 | 40.7 Ų | 40.7 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 152.3 | 176.6 | -178.9 | -94.4 | 0 | 0 | 0 | 109.9 | F25 V106 K110 V120 I151 | F25-F108 HydrophobicContact CZ-CE2 4.22Å; V106-F108 VanDerWaalsContact CG1-O 3.3Å; V106-F108 WeakPolarHBondContact CG1-O 3.23Å; F108-K110 HydrophobicContact CE1-CB 3.84Å; F108-K110 HydrophobicContact CZ-CB 4.2Å; F108-K110 HydrophobicContact CZ-CD 4.44Å; F108-V120 HydrophobicContact CB-CB 4.12Å; F108-V120 HydrophobicContact CB-CG2 4.48Å; F108-V120 HydrophobicContact CD1-CG2 4.15Å; F108-V120 PolarHBondContact N-O 3.39Å; F108-V120 VanDerWaalsContact N-O 3.14Å; F108-V120 WeakPolarHBondContact O-CA 3.21Å; F108-V120 WeakPolarHBondContact O-CB 3.45Å; F108-V120 PolarHBondContact O-N 2.99Å; F108-I151 HydrophobicContact CB-CB 3.86Å; F108-I151 HydrophobicContact CB-CG2 3.67Å; F108-I151 HydrophobicContact CD1-CG2 3.69Å; F108-I151 HydrophobicContact CD2-CG2 4.28Å; F108-I151 HydrophobicContact CE1-CG2 4.42Å; F108-I151 HydrophobicContact CG-CB 4.21Å; F108-I151 HydrophobicContact CG-CG2 3.61Å |
| 109 | W | 93.3 | Very high | 91.1 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 148.8 | -179.5 | 61.3 | -26.2 | 0 | 0 | 0 | 110.7 | S68 V70 A79 L80 K81 L86 V106 L117 A118 L119 | S68-W109 WeakPolarHBondContact O-CZ2 3.43Å; S68-W109 PolarHBondContact OG-NE1 3.27Å; V70-W109 HydrophobicContact CG2-CD2 4.08Å; V70-W109 HydrophobicContact CG2-CG 4.38Å; V70-W109 HydrophobicContact CG2-CH2 4.49Å; V70-W109 HydrophobicContact CG2-CZ2 3.81Å; A79-W109 VanDerWaalsContact C-CH2 3.46Å; A79-W109 HydrophobicContact CB-CH2 3.9Å; A79-W109 HydrophobicContact CB-CZ3 3.69Å; A79-W109 WeakPolarHBondContact O-CH2 3.29Å; L80-W109 VanDerWaalsContact C-CH2 3.43Å; K81-W109 HydrophobicContact CB-CH2 3.63Å; K81-W109 HydrophobicContact CB-CZ2 3.6Å; K81-W109 HydrophobicContact CB-CZ3 4.2Å; L86-W109 HydrophobicContact CD2-CE3 4.02Å; L86-W109 HydrophobicContact CD2-CZ3 3.86Å; V106-W109 HydrophobicContact CG1-CB 3.94Å; V106-W109 HydrophobicContact CG1-CG 4.32Å; W109-L117 HydrophobicContact CE3-CD2 3.73Å; W109-L117 HydrophobicContact CE3-CG 4.45Å; W109-L117 HydrophobicContact CZ3-CD2 3.94Å; W109-A118 CarbonylContact C-O 3.5Å; W109-A118 WeakPolarHBondContact CA-O 3.37Å; W109-A118 VanDerWaalsContact CB-O 3.3Å; W109-A118 WeakPolarHBondContact CB-O 3.27Å; W109-L119 HydrophobicContact CB-CD2 3.95Å; W109-L119 HydrophobicContact CE3-CD2 3.97Å |
| 110 | K | 92.7 | Very high | 91.4 | Very high | 20 Ų | 20 | 37.3 Ų | 37.3 | 9% | 0.087 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 149.9 | -171.1 | -168.2 | 173.2 | 177.8 | 161.9 | 0 | 111.2 | E31 F108 A118 N153 | E31-K110 WeakPolarHBondContact OE2-CE 3.44Å; E31-K110 WeakPolarHBondContact OE2-CG 3.22Å; F108-K110 HydrophobicContact CE1-CB 3.84Å; F108-K110 HydrophobicContact CZ-CB 4.2Å; F108-K110 HydrophobicContact CZ-CD 4.44Å; K110-A118 PolarHBondContact N-O 2.94Å; K110-A118 PolarHBondContact O-N 3.43Å; K110-N153 PolarHBondContact NZ-OD1 3.34Å |
| 111 | W | 93.3 | Very high | 91.5 | Very high | 9 Ų | 9 | 35 Ų | 35 | 3% | 0.034 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 125.4 | 168.5 | -70.8 | 95.5 | 0 | 0 | 0 | 109.9 | E31 M71 N72 P73 A79 I88 L117 M130 | E31-W111 PolarHBondContact OE2-N 3.39Å; M71-W111 PolarHBondContact O-NE1 3.38Å; N72-W111 HydrophobicContact CB-CZ2 4.26Å; P73-W111 HydrophobicContact CG-CB 3.7Å; P73-W111 HydrophobicContact CG-CG 4.3Å; A79-W111 HydrophobicContact CB-CZ2 4.26Å; I88-W111 HydrophobicContact CD1-CH2 4.34Å; W111-L117 HydrophobicContact CD2-CB 4.43Å; W111-L117 HydrophobicContact CD2-CD1 3.69Å; W111-L117 HydrophobicContact CE3-CB 4.24Å; W111-L117 HydrophobicContact CE3-CD1 4.34Å; W111-L117 HydrophobicContact CG-CD1 3.78Å; W111-L117 HydrophobicContact CZ2-CD1 4.29Å; W111-L117 HydrophobicContact CZ3-CB 4.3Å; W111-M130 HydrophobicContact CH2-SD 4.35Å |
| 112 | I | 90.9 | Very high | 91.3 | Very high | 36 Ų | 36 | 36.6 Ų | 36.6 | 19% | 0.185 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -91.1 | -26.4 | 175 | 56.1 | 170.6 | 0 | 0 | 0 | 112.4 | T116 A118 H127 Y154 A156 | I112-T116 HydrophobicContact CD1-CG2 3.71Å; I112-T116 HydrophobicContact CG1-CG2 3.96Å; I112-T116 WeakPolarHBondContact CG1-O 3.38Å; I112-T116 PolarHBondContact N-O 2.74Å; I112-A118 HydrophobicContact CG2-CB 3.83Å; I112-H127 VanDerWaalsContact CD1-CE1 3.41Å; I112-H127 WeakPolarHBondContact CD1-CE1 3.4Å; I112-Y154 HydrophobicContact CG2-CD1 3.49Å; I112-Y154 VanDerWaalsContact CG2-CD1 3.49Å; I112-Y154 HydrophobicContact CG2-CE1 3.6Å; I112-A156 HydrophobicContact CB-CB 4.31Å; I112-A156 HydrophobicContact CD1-CB 4.31Å; I112-A156 HydrophobicContact CG2-CB 4.47Å |
| 113 | N | 89.5 | Confident | 91.2 | Very high | 56 Ų | 56 | 38.7 Ų | 38.7 | 30% | 0.299 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -153.1 | -175.1 | 172.5 | 62.5 | 42.9 | 0 | 0 | 0 | 108.1 | N115 T116 | N113-N115 PolarHBondContact O-N 3.16Å; N113-N115 WeakPolarHBondContact OD1-CA 3.15Å; N113-N115 PolarHBondContact OD1-N 2.73Å; N113-T116 WeakPolarHBondContact OD1-CB 3.48Å; N113-T116 PolarHBondContact OD1-N 3.07Å; N113-T116 PolarHBondContact OD1-OG1 2.92Å |
| 114 | V | 89.1 | Confident | 91.5 | Very high | 62 Ų | 62 | 33.8 Ų | 33.8 | 38% | 0.376 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -65.2 | -22.9 | -177.8 | -176 | 0 | 0 | 0 | 0 | 112.6 | N72 A74 | N72-V114 PolarHBondContact ND2-O 3.01Å; A74-V114 HydrophobicContact CB-CG1 4.05Å; A74-V114 HydrophobicContact CB-CG2 3.89Å |
| 115 | N | 90.1 | Very high | 91.8 | Very high | 62 Ų | 62 | 30.8 Ų | 30.8 | 33% | 0.332 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -113.2 | -12.2 | -170.3 | -59.3 | -4.6 | 0 | 0 | 0 | 113 | N113 S129 M130 E131 | N113-N115 PolarHBondContact O-N 3.16Å; N113-N115 WeakPolarHBondContact OD1-CA 3.15Å; N113-N115 PolarHBondContact OD1-N 2.73Å; N115-S129 CarbonylContact O-C 3.48Å; N115-S129 WeakPolarHBondContact O-CA 2.94Å; N115-M130 WeakPolarHBondContact O-CB 3.47Å; N115-M130 PolarHBondContact O-N 3.01Å; N115-E131 PolarHBondContact ND2-OE1 3.05Å |
| 116 | T | 92.4 | Very high | 92.2 | Very high | 23 Ų | 23 | 28.2 Ų | 28.2 | 14% | 0.141 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 125.9 | -170.4 | -50.9 | 0 | 0 | 0 | 0 | 112.2 | I112 N113 H127 | I112-T116 HydrophobicContact CD1-CG2 3.71Å; I112-T116 HydrophobicContact CG1-CG2 3.96Å; I112-T116 WeakPolarHBondContact CG1-O 3.38Å; I112-T116 PolarHBondContact N-O 2.74Å; N113-T116 WeakPolarHBondContact OD1-CB 3.48Å; N113-T116 PolarHBondContact OD1-N 3.07Å; N113-T116 PolarHBondContact OD1-OG1 2.92Å; T116-H127 HydrophobicContact CG2-CB 3.76Å |
| 117 | L | 93.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 125.2 | 174.7 | -169.1 | 71.1 | 0 | 0 | 0 | 109.6 | A79 W109 W111 L119 H127 W128 | A79-L117 HydrophobicContact CB-CD2 3.98Å; W109-L117 HydrophobicContact CE3-CD2 3.73Å; W109-L117 HydrophobicContact CE3-CG 4.45Å; W109-L117 HydrophobicContact CZ3-CD2 3.94Å; W111-L117 HydrophobicContact CD2-CB 4.43Å; W111-L117 HydrophobicContact CD2-CD1 3.69Å; W111-L117 HydrophobicContact CE3-CB 4.24Å; W111-L117 HydrophobicContact CE3-CD1 4.34Å; W111-L117 HydrophobicContact CG-CD1 3.78Å; W111-L117 HydrophobicContact CZ2-CD1 4.29Å; W111-L117 HydrophobicContact CZ3-CB 4.3Å; L117-L119 HydrophobicContact CD2-CD2 3.87Å; L117-L119 HydrophobicContact CG-CD2 4.09Å; L117-H127 CarbonylContact O-C 3.56Å; L117-W128 HydrophobicContact CD2-CE3 4.09Å; L117-W128 PolarHBondContact N-O 3.31Å; L117-W128 PolarHBondContact O-N 3.45Å |
| 118 | A | 94.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 133.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | W109 K110 I112 Y126 Y154 | W109-A118 CarbonylContact C-O 3.5Å; W109-A118 WeakPolarHBondContact CA-O 3.37Å; W109-A118 VanDerWaalsContact CB-O 3.3Å; W109-A118 WeakPolarHBondContact CB-O 3.27Å; K110-A118 PolarHBondContact N-O 2.94Å; K110-A118 PolarHBondContact O-N 3.43Å; I112-A118 HydrophobicContact CG2-CB 3.83Å; A118-Y126 CarbonylContact C-O 3.56Å; A118-Y126 WeakPolarHBondContact CA-O 3.47Å; A118-Y154 HydrophobicContact CB-CD1 3.26Å; A118-Y154 HydrophobicContact CB-CE1 3.34Å; A118-Y154 HydrophobicContact CB-CG 4.25Å |
| 119 | L | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 121.5 | -179.6 | -50.8 | 171 | 0 | 0 | 0 | 108.6 | L86 M102 V106 W109 L117 V125 Y126 W128 P136 | L86-L119 HydrophobicContact CD1-CD1 3.43Å; L86-L119 VanDerWaalsContact CD1-CD1 3.43Å; L86-L119 HydrophobicContact CD1-CD2 3.63Å; L86-L119 HydrophobicContact CD1-CG 4.15Å; M102-L119 HydrophobicContact CE-CD1 4.49Å; M102-L119 HydrophobicContact SD-CD1 3.99Å; V106-L119 HydrophobicContact CG1-CB 4.3Å; V106-L119 HydrophobicContact CG1-CD2 4.39Å; V106-L119 HydrophobicContact CG2-CB 4.49Å; W109-L119 HydrophobicContact CB-CD2 3.95Å; W109-L119 HydrophobicContact CE3-CD2 3.97Å; L117-L119 HydrophobicContact CD2-CD2 3.87Å; L117-L119 HydrophobicContact CG-CD2 4.09Å; L119-V125 CarbonylContact O-C 3.57Å; L119-V125 WeakPolarHBondContact O-CA 3.49Å; L119-Y126 PolarHBondContact N-O 3.28Å; L119-Y126 PolarHBondContact O-N 3.23Å; L119-W128 HydrophobicContact CD1-CB 4.1Å; L119-P136 HydrophobicContact CD1-CB 4.01Å; L119-P136 HydrophobicContact CD1-CG 3.97Å |
| 120 | V | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 112.5 | -178.2 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | V106 A107 F108 V125 I151 L165 | V106-V120 CarbonylContact C-O 3.55Å; A107-V120 PolarHBondContact N-O 2.82Å; F108-V120 HydrophobicContact CB-CB 4.12Å; F108-V120 HydrophobicContact CB-CG2 4.48Å; F108-V120 HydrophobicContact CD1-CG2 4.15Å; F108-V120 PolarHBondContact N-O 3.39Å; F108-V120 VanDerWaalsContact N-O 3.14Å; F108-V120 WeakPolarHBondContact O-CA 3.21Å; F108-V120 WeakPolarHBondContact O-CB 3.45Å; F108-V120 PolarHBondContact O-N 2.99Å; V120-V125 HydrophobicContact CG1-CG2 4.21Å; V120-V125 HydrophobicContact CG2-CG1 4.22Å; V120-V125 HydrophobicContact CG2-CG2 4.17Å; V120-I151 HydrophobicContact CG1-CG1 4.22Å; V120-L165 HydrophobicContact CG1-CD1 4.04Å; V120-L165 HydrophobicContact CG1-CD2 4.33Å; V120-L165 HydrophobicContact CG2-CD1 3.9Å |
| 121 | T | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -175.4 | 172.6 | 70.5 | 0 | 0 | 0 | 0 | 110 | M102 D104 D105 S123 A124 Y126 R142 | M102-T121 HydrophobicContact CE-CG2 3.82Å; D104-T121 HydrophobicContact CB-CG2 3.91Å; D105-T121 WeakPolarHBondContact O-CA 2.68Å; T121-S123 PolarHBondContact O-N 2.9Å; T121-S123 PolarHBondContact OG1-N 3.28Å; T121-S123 PolarHBondContact OG1-OG 3.12Å; T121-A124 PolarHBondContact N-O 3.45Å; T121-A124 PolarHBondContact OG1-N 3.25Å; T121-A124 PolarHBondContact OG1-O 3.01Å; T121-A124 VanDerWaalsContact OG1-O 3.13Å; T121-Y126 HydrophobicContact CG2-CD2 4.11Å; T121-Y126 HydrophobicContact CG2-CE2 3.74Å; T121-R142 WeakPolarHBondContact O-CD 3.14Å; T121-R142 PolarHBondContact O-NH1 3Å |
| 122 | L | 88.4 | Confident | 91.1 | Very high | 126 Ų | 126 | 35 Ų | 35 | 66% | 0.66 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -67.9 | -24.9 | 171.6 | -66.6 | 175.3 | 0 | 0 | 0 | 112.6 | A107 | A107-L122 HydrophobicContact CB-CD2 4.42Š|
| 123 | S | 89.6 | Confident | 90.5 | Very high | 55 Ų | 55 | 40.9 Ų | 40.9 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -107.3 | -33.9 | -171.4 | 55.6 | 0 | 0 | 0 | 0 | 113.6 | D104 T121 R142 | D104-S123 PolarHBondContact OD2-OG 3.33Å; T121-S123 PolarHBondContact O-N 2.9Å; T121-S123 PolarHBondContact OG1-N 3.28Å; T121-S123 PolarHBondContact OG1-OG 3.12Å; S123-R142 PolarHBondContact O-N 3.43Å |
| 124 | A | 93.9 | Very high | 90 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 168.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T121 Y126 K138 F140 | T121-A124 PolarHBondContact N-O 3.45Å; T121-A124 PolarHBondContact OG1-N 3.25Å; T121-A124 PolarHBondContact OG1-O 3.01Å; T121-A124 VanDerWaalsContact OG1-O 3.13Å; A124-Y126 HydrophobicContact CB-CD2 4.47Å; A124-Y126 HydrophobicContact CB-CE2 3.67Å; A124-K138 HydrophobicContact CB-CD 4.35Å; A124-K138 HydrophobicContact CB-CG 4.25Å; A124-F140 WeakPolarHBondContact CA-O 3.29Å; A124-F140 WeakPolarHBondContact CB-O 3.23Å |
| 125 | V | 95.3 | Very high | 90 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 135 | 172.8 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | L119 V120 M139 F140 R142 Y154 L165 | L119-V125 CarbonylContact O-C 3.57Å; L119-V125 WeakPolarHBondContact O-CA 3.49Å; V120-V125 HydrophobicContact CG1-CG2 4.21Å; V120-V125 HydrophobicContact CG2-CG1 4.22Å; V120-V125 HydrophobicContact CG2-CG2 4.17Å; V125-M139 PolarHBondContact O-N 3.04Å; V125-F140 HydrophobicContact CB-CD1 4.44Å; V125-F140 HydrophobicContact CB-CE1 4.1Å; V125-F140 HydrophobicContact CB-CE2 4.2Å; V125-F140 HydrophobicContact CB-CZ 3.98Å; V125-F140 HydrophobicContact CG1-CE1 4.35Å; V125-F140 HydrophobicContact CG1-CZ 4.41Å; V125-F140 HydrophobicContact CG2-CD2 4.28Å; V125-F140 HydrophobicContact CG2-CE1 4.29Å; V125-F140 HydrophobicContact CG2-CE2 3.64Å; V125-F140 HydrophobicContact CG2-CZ 3.66Å; V125-F140 PolarHBondContact N-O 3Å; V125-R142 HydrophobicContact CG2-CG 4.41Å; V125-Y154 HydrophobicContact CG1-CD2 4.42Å; V125-Y154 HydrophobicContact CG1-CE1 4.41Å; V125-Y154 HydrophobicContact CG1-CE2 3.74Å; V125-L165 HydrophobicContact CG2-CD2 3.91Å |
| 126 | Y | 95.7 | Very high | 90.1 | Very high | 35 Ų | 35 | 41.2 Ų | 41.2 | 14% | 0.137 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 149.1 | -180 | -56 | -106 | 0 | 0 | 0 | 110.3 | M102 A118 L119 T121 A124 P136 Q137 K138 | M102-Y126 HydrophobicContact CE-CD2 3.89Å; M102-Y126 HydrophobicContact CE-CE2 4.04Å; M102-Y126 HydrophobicContact CE-CG 4.17Å; A118-Y126 CarbonylContact C-O 3.56Å; A118-Y126 WeakPolarHBondContact CA-O 3.47Å; L119-Y126 PolarHBondContact N-O 3.28Å; L119-Y126 PolarHBondContact O-N 3.23Å; T121-Y126 HydrophobicContact CG2-CD2 4.11Å; T121-Y126 HydrophobicContact CG2-CE2 3.74Å; A124-Y126 HydrophobicContact CB-CD2 4.47Å; A124-Y126 HydrophobicContact CB-CE2 3.67Å; Y126-P136 HydrophobicContact CD1-CB 4.41Å; Y126-Q137 CarbonylContact C-O 3.43Å; Y126-Q137 WeakPolarHBondContact CA-O 3.42Å; Y126-Q137 WeakPolarHBondContact CB-O 3.36Å; Y126-K138 VanDerWaalsContact CD1-CA 3.48Å; Y126-K138 HydrophobicContact CD1-CB 3.79Å; Y126-K138 HydrophobicContact CD1-CG 4.44Å; Y126-K138 HydrophobicContact CE1-CB 3.61Å; Y126-K138 HydrophobicContact CE1-CG 4.04Å |
| 127 | H | 95.4 | Very high | 90.1 | Very high | 20 Ų | 20 | 46.2 Ų | 46.2 | 9% | 0.093 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 133.3 | 168.1 | -75.7 | -173.7 | 0 | 0 | 0 | 109.2 | I112 T116 L117 Q137 M139 Y154 | I112-H127 VanDerWaalsContact CD1-CE1 3.41Å; I112-H127 WeakPolarHBondContact CD1-CE1 3.4Å; T116-H127 HydrophobicContact CG2-CB 3.76Å; L117-H127 CarbonylContact O-C 3.56Å; H127-Q137 PolarHBondContact N-O 3.2Å; H127-Q137 PolarHBondContact O-N 3.47Å; H127-M139 HydrophobicContact CB-CG 4Å; H127-M139 HydrophobicContact CB-SD 4.12Å; H127-Y154 AromaticContact NE2-CE1 3.47Å; H127-Y154 WeakPolarHBondContact NE2-CE1 3.33Å; H127-Y154 AromaticContact NE2-CZ 3.57Å; H127-Y154 PolarHBondContact NE2-OH 2.99Å |
| 128 | W | 94.5 | Very high | 90.1 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 1% | 0.011 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 108.7 | 179.2 | -171.9 | 31.5 | 0 | 0 | 0 | 109.6 | L86 I88 K98 H100 L117 L119 S134 P136 | L86-W128 HydrophobicContact CB-CH2 4.25Å; L86-W128 HydrophobicContact CB-CZ3 3.79Å; L86-W128 HydrophobicContact CD1-CE3 4.5Å; L86-W128 HydrophobicContact CD1-CZ3 4.44Å; I88-W128 HydrophobicContact CD1-CD2 4.39Å; I88-W128 HydrophobicContact CD1-CE3 3.9Å; I88-W128 HydrophobicContact CD1-CH2 3.92Å; I88-W128 HydrophobicContact CD1-CZ2 4.41Å; I88-W128 HydrophobicContact CD1-CZ3 3.63Å; I88-W128 HydrophobicContact CG1-CE3 4.44Å; I88-W128 HydrophobicContact CG1-CH2 3.95Å; I88-W128 HydrophobicContact CG1-CZ3 3.72Å; K98-W128 HydrophobicContact CB-CH2 4.07Å; K98-W128 HydrophobicContact CB-CZ2 3.73Å; K98-W128 HydrophobicContact CD-CZ2 4.19Å; K98-W128 HydrophobicContact CG-CZ2 4.29Å; H100-W128 HydrophobicContact CB-CH2 4.08Å; H100-W128 HydrophobicContact CB-CZ2 3.76Å; L117-W128 HydrophobicContact CD2-CE3 4.09Å; L117-W128 PolarHBondContact N-O 3.31Å; L117-W128 PolarHBondContact O-N 3.45Å; L119-W128 HydrophobicContact CD1-CB 4.1Å; W128-S134 VanDerWaalsContact CD1-O 3.22Å; W128-S134 PolarHBondContact NE1-O 2.74Å; W128-P136 HydrophobicContact CB-CB 4.27Å; W128-P136 HydrophobicContact CB-CG 4.12Å; W128-P136 HydrophobicContact CD2-CG 4.21Å; W128-P136 HydrophobicContact CG-CB 4.44Å; W128-P136 HydrophobicContact CG-CG 3.81Å |
| 129 | S | 90.9 | Very high | 90.1 | Very high | 31 Ų | 31 | 53.2 Ų | 53.2 | 22% | 0.217 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 142.8 | 176.3 | -176.5 | 0 | 0 | 0 | 0 | 110.8 | K98 N115 E131 S134 | K98-S129 PolarHBondContact NZ-O 3.4Å; N115-S129 CarbonylContact O-C 3.48Å; N115-S129 WeakPolarHBondContact O-CA 2.94Å; S129-E131 VanDerWaalsContact C-N 3.28Å; S129-E131 PolarHBondContact OG-N 3.43Å; S129-E131 VanDerWaalsContact OG-N 3.15Å; S129-S134 WeakPolarHBondContact CB-OG 3.32Å; S129-S134 PolarHBondContact O-OG 3.44Å |
| 130 | M | 84.9 | Confident | 90.1 | Very high | 41 Ų | 41 | 53.6 Ų | 53.6 | 20% | 0.202 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -75.6 | -20.7 | 171.5 | -170.6 | 178.1 | 172.4 | 0 | 0 | 111.4 | V77 I88 V97 K98 W111 N115 | V77-M130 HydrophobicContact CB-CE 4.28Å; V77-M130 HydrophobicContact CG1-CE 3.66Å; V77-M130 HydrophobicContact CG1-SD 3.97Å; V77-M130 HydrophobicContact CG2-CE 3.7Å; V77-M130 HydrophobicContact CG2-SD 4.49Å; I88-M130 HydrophobicContact CG2-CE 4.37Å; V97-M130 HydrophobicContact CB-CE 4.24Å; V97-M130 HydrophobicContact CG1-CE 3.69Å; V97-M130 HydrophobicContact CG1-CG 4.1Å; V97-M130 HydrophobicContact CG2-CE 3.9Å; K98-M130 PolarHBondContact NZ-O 2.72Å; W111-M130 HydrophobicContact CH2-SD 4.35Å; N115-M130 WeakPolarHBondContact O-CB 3.47Å; N115-M130 PolarHBondContact O-N 3.01Å |
| 131 | E | 82.9 | Confident | 90.1 | Very high | 120 Ų | 120 | 59.7 Ų | 59.7 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -79.8 | 142.9 | -177.5 | -63.5 | 175.6 | -173.6 | 0 | 0 | 112.7 | K98 N115 S129 S134 | K98-E131 PolarHBondContact NZ-O 3.24Å; N115-E131 PolarHBondContact ND2-OE1 3.05Å; S129-E131 VanDerWaalsContact C-N 3.28Å; S129-E131 PolarHBondContact OG-N 3.43Å; S129-E131 VanDerWaalsContact OG-N 3.15Å; E131-S134 PolarHBondContact O-OG 3.15Å |
| 132 | G | 79.3 | Confident | 90.1 | Very high | 63 Ų | 63 | 60.8 Ų | 60.8 | 65% | 0.649 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | -151.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K98 | K98-G132 WeakPolarHBondContact CE-O 3.32Å; K98-G132 PolarHBondContact NZ-O 2.89Å |
| 133 | D | 77.6 | Confident | 90.3 | Very high | 158 Ų | 158 | 57.8 Ų | 57.8 | 85% | 0.845 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 23 | 176.5 | -67.9 | -42 | 0 | 0 | 0 | 113.2 | M135 | D133-M135 PolarHBondContact O-N 3.13Š|
| 134 | S | 80.5 | Confident | 90.3 | Very high | 33 Ų | 33 | 58.4 Ų | 58.4 | 23% | 0.231 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 126.4 | -176.4 | 68.5 | 0 | 0 | 0 | 0 | 112.9 | K98 W128 S129 E131 | K98-S134 PolarHBondContact NZ-O 3.19Å; K98-S134 PolarHBondContact NZ-OG 3.1Å; W128-S134 VanDerWaalsContact CD1-O 3.22Å; W128-S134 PolarHBondContact NE1-O 2.74Å; S129-S134 WeakPolarHBondContact CB-OG 3.32Å; S129-S134 PolarHBondContact O-OG 3.44Å; E131-S134 PolarHBondContact O-OG 3.15Å |
| 135 | M | 87.9 | Confident | 90.1 | Very high | 136 Ų | 136 | 61.4 Ų | 61.4 | 67% | 0.67 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -80.4 | 159.9 | 168.9 | -64.1 | -164.6 | 167.7 | 0 | 0 | 111.4 | D133 Q137 | D133-M135 PolarHBondContact O-N 3.13Å; M135-Q137 PolarHBondContact O-N 3.3Å |
| 136 | P | 92 | Very high | 89.8 | Confident | 19 Ų | 19 | 61.4 Ų | 61.4 | 12% | 0.123 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 118.4 | 174.5 | -26.9 | 36.5 | 0 | 0 | 0 | 112.7 | H100 M102 L119 Y126 W128 | H100-P136 VanDerWaalsContact CD2-CG 3.44Å; H100-P136 WeakPolarHBondContact CD2-CG 3.26Å; M102-P136 HydrophobicContact SD-CB 4.16Å; M102-P136 HydrophobicContact SD-CG 4Å; L119-P136 HydrophobicContact CD1-CB 4.01Å; L119-P136 HydrophobicContact CD1-CG 3.97Å; Y126-P136 HydrophobicContact CD1-CB 4.41Å; W128-P136 HydrophobicContact CB-CB 4.27Å; W128-P136 HydrophobicContact CB-CG 4.12Å; W128-P136 HydrophobicContact CD2-CG 4.21Å; W128-P136 HydrophobicContact CG-CB 4.44Å; W128-P136 HydrophobicContact CG-CG 3.81Å |
| 137 | Q | 92.4 | Very high | 89.4 | Confident | 128 Ų | 128 | 64.1 Ų | 64.1 | 60% | 0.598 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 125.8 | -179.5 | -65.8 | -176.7 | -2.8 | 0 | 0 | 110.3 | Y126 H127 M135 M139 | Y126-Q137 CarbonylContact C-O 3.43Å; Y126-Q137 WeakPolarHBondContact CA-O 3.42Å; Y126-Q137 WeakPolarHBondContact CB-O 3.36Å; H127-Q137 PolarHBondContact N-O 3.2Å; H127-Q137 PolarHBondContact O-N 3.47Å; M135-Q137 PolarHBondContact O-N 3.3Å; Q137-M139 PolarHBondContact O-N 3.43Å |
| 138 | K | 94.3 | Very high | 88.9 | Confident | 108 Ų | 108 | 70.9 Ų | 70.9 | 47% | 0.47 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 121.9 | 175.9 | -174.1 | 178.9 | 173.8 | -178.1 | 0 | 109.5 | A124 Y126 E141 | A124-K138 HydrophobicContact CB-CD 4.35Å; A124-K138 HydrophobicContact CB-CG 4.25Å; Y126-K138 VanDerWaalsContact CD1-CA 3.48Å; Y126-K138 HydrophobicContact CD1-CB 3.79Å; Y126-K138 HydrophobicContact CD1-CG 4.44Å; Y126-K138 HydrophobicContact CE1-CB 3.61Å; Y126-K138 HydrophobicContact CE1-CG 4.04Å; K138-E141 VanDerWaalsContact CE-CG 3.48Å; K138-E141 IonicContact NZ-OE1 3.41Å; K138-E141 PolarHBondContact NZ-OE1 3.43Å |
| 139 | M | 93.8 | Very high | 88.6 | Confident | 39 Ų | 39 | 71.3 Ų | 71.3 | 19% | 0.192 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -52.4 | 177.9 | -61.3 | -52.9 | -69 | 0 | 0 | 111.6 | V125 H127 Q137 L163 Y182 V184 | V125-M139 PolarHBondContact O-N 3.04Å; H127-M139 HydrophobicContact CB-CG 4Å; H127-M139 HydrophobicContact CB-SD 4.12Å; Q137-M139 PolarHBondContact O-N 3.43Å; M139-L163 HydrophobicContact CB-CD1 3.98Å; M139-L163 HydrophobicContact CE-CD1 3.84Å; M139-L163 HydrophobicContact CG-CD1 4.23Å; M139-Y182 PolarHBondContact O-OH 3.42Å; M139-V184 HydrophobicContact CE-CG1 4.29Å; M139-V184 HydrophobicContact CE-CG2 4.02Å |
| 140 | F | 95.1 | Very high | 88.6 | Confident | 9 Ų | 9 | 75.1 Ų | 75.1 | 4% | 0.039 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 163.5 | 178.7 | 60.4 | -92.4 | 0 | 0 | 0 | 112.1 | A124 V125 Y154 L163 L165 Q180 Y182 | A124-F140 WeakPolarHBondContact CA-O 3.29Å; A124-F140 WeakPolarHBondContact CB-O 3.23Å; V125-F140 HydrophobicContact CB-CD1 4.44Å; V125-F140 HydrophobicContact CB-CE1 4.1Å; V125-F140 HydrophobicContact CB-CE2 4.2Å; V125-F140 HydrophobicContact CB-CZ 3.98Å; V125-F140 HydrophobicContact CG1-CE1 4.35Å; V125-F140 HydrophobicContact CG1-CZ 4.41Å; V125-F140 HydrophobicContact CG2-CD2 4.28Å; V125-F140 HydrophobicContact CG2-CE1 4.29Å; V125-F140 HydrophobicContact CG2-CE2 3.64Å; V125-F140 HydrophobicContact CG2-CZ 3.66Å; V125-F140 PolarHBondContact N-O 3Å; F140-Y154 HydrophobicContact CE1-CE2 4.16Å; F140-Y154 AromaticContact CZ-CE2 4Å; F140-Y154 HydrophobicContact CZ-CE2 4Å; F140-L163 HydrophobicContact CD1-CD1 4.05Å; F140-L163 HydrophobicContact CE1-CB 3.78Å; F140-L163 HydrophobicContact CE1-CD1 3.87Å; F140-L163 HydrophobicContact CE1-CG 4.47Å; F140-L165 HydrophobicContact CE2-CD2 4.49Å; F140-L165 HydrophobicContact CZ-CB 4.28Å; F140-Q180 VanDerWaalsContact CD2-NE2 3.31Å; F140-Q180 HydrophobicContact CE2-CG 4.14Å; F140-Y182 HydrophobicContact CB-CD1 4.15Å; F140-Y182 HydrophobicContact CB-CD2 3.69Å; F140-Y182 HydrophobicContact CB-CE1 4.06Å; F140-Y182 HydrophobicContact CB-CE2 3.61Å; F140-Y182 HydrophobicContact CB-CG 3.94Å; F140-Y182 AromaticContact CD1-CD1 3.46Å; F140-Y182 HydrophobicContact CD1-CD1 3.46Å; F140-Y182 VanDerWaalsContact CD1-CD1 3.46Å; F140-Y182 HydrophobicContact CD1-CD2 4.18Å; F140-Y182 HydrophobicContact CD1-CE1 4.01Å; F140-Y182 AromaticContact CD1-CG 3.53Å; F140-Y182 HydrophobicContact CD1-CG 3.53Å; F140-Y182 HydrophobicContact CE1-CD1 4.14Å; F140-Y182 HydrophobicContact CE1-CG 4.13Å; F140-Y182 HydrophobicContact CG-CD1 4.07Å; F140-Y182 AromaticContact CG-CD2 3.97Å; F140-Y182 HydrophobicContact CG-CD2 3.97Å; F140-Y182 HydrophobicContact CG-CE1 4.44Å; F140-Y182 HydrophobicContact CG-CE2 4.37Å; F140-Y182 AromaticContact CG-CG 3.78Å; F140-Y182 HydrophobicContact CG-CG 3.78Å |
| 141 | E | 94.1 | Very high | 89 | Confident | 127 Ų | 127 | 73.8 Ų | 73.8 | 59% | 0.593 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 140.8 | 174.8 | -66.8 | -175.8 | 173 | 0 | 0 | 111.4 | K138 H143 Q180 | K138-E141 VanDerWaalsContact CE-CG 3.48Å; K138-E141 IonicContact NZ-OE1 3.41Å; K138-E141 PolarHBondContact NZ-OE1 3.43Å; E141-H143 PolarHBondContact O-N 3.12Å; E141-Q180 PolarHBondContact O-NE2 2.64Å |
| 142 | R | 93 | Very high | 89.3 | Confident | 24 Ų | 24 | 69.6 Ų | 69.6 | 9% | 0.091 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -64 | 126.3 | 176.2 | -75.2 | -179.4 | 60.5 | 171.5 | -3.1 | 109.3 | T121 S123 V125 L146 L165 | T121-R142 WeakPolarHBondContact O-CD 3.14Å; T121-R142 PolarHBondContact O-NH1 3Å; S123-R142 PolarHBondContact O-N 3.43Å; V125-R142 HydrophobicContact CG2-CG 4.41Å; R142-L146 PolarHBondContact NH2-O 3.11Å; R142-L165 HydrophobicContact CG-CD2 3.86Å |
| 143 | H | 93.5 | Very high | 89.9 | Confident | 63 Ų | 63 | 67.7 Ų | 67.7 | 29% | 0.292 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -66 | 143.3 | 178.4 | -169.1 | -93.1 | 0 | 0 | 0 | 110.4 | E141 T145 L146 Q180 | E141-H143 PolarHBondContact O-N 3.12Å; H143-T145 WeakPolarHBondContact ND1-CG2 3.38Å; H143-T145 PolarHBondContact ND1-N 3.25Å; H143-T145 PolarHBondContact ND1-OG1 2.92Å; H143-T145 PolarHBondContact O-N 2.95Å; H143-L146 WeakPolarHBondContact O-CB 3.28Å; H143-L146 PolarHBondContact O-N 2.81Å; H143-Q180 HydrophobicContact CB-CG 4.2Å |
| 144 | A | 89.8 | Confident | 90.7 | Very high | 68 Ų | 68 | 60.3 Ų | 60.3 | 56% | 0.562 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -57.8 | -22.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L146 N147 | A144-L146 PolarHBondContact O-N 3.27Å; A144-N147 VanDerWaalsContact O-CB 3.25Å; A144-N147 WeakPolarHBondContact O-CB 3.44Å; A144-N147 PolarHBondContact O-N 3.34Å; A144-N147 VanDerWaalsContact O-N 3.15Å; A144-N147 PolarHBondContact O-ND2 3.1Å |
| 145 | T | 88.8 | Confident | 91.3 | Very high | 65 Ų | 65 | 61 Ų | 61 | 40% | 0.399 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -67 | -19.6 | 175.1 | 55.2 | 0 | 0 | 0 | 0 | 113.5 | H143 P191 | H143-T145 WeakPolarHBondContact ND1-CG2 3.38Å; H143-T145 PolarHBondContact ND1-N 3.25Å; H143-T145 PolarHBondContact ND1-OG1 2.92Å; H143-T145 PolarHBondContact O-N 2.95Å; T145-P191 HydrophobicContact CG2-CB 4.45Å |
| 146 | L | 90.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -92.7 | 5.4 | 175.5 | -72.9 | 168.2 | 0 | 0 | 0 | 113 | R142 H143 A144 S149 I151 L165 T178 Q180 | R142-L146 PolarHBondContact NH2-O 3.11Å; H143-L146 WeakPolarHBondContact O-CB 3.28Å; H143-L146 PolarHBondContact O-N 2.81Å; A144-L146 PolarHBondContact O-N 3.27Å; L146-S149 WeakPolarHBondContact O-CB 3.47Å; L146-S149 PolarHBondContact O-N 2.97Å; L146-I151 HydrophobicContact CD2-CD1 4.27Å; L146-L165 HydrophobicContact CD1-CB 4.48Å; L146-L165 HydrophobicContact CD1-CD2 3.68Å; L146-L165 HydrophobicContact CD1-CG 4.06Å; L146-T178 HydrophobicContact CD2-CG2 3.83Å; L146-T178 WeakPolarHBondContact CD2-O 3.38Å; L146-T178 HydrophobicContact CG-CG2 4.04Å; L146-Q180 HydrophobicContact CD1-CB 3.63Å |
| 147 | N | 86.4 | Confident | 91.6 | Very high | 91 Ų | 91 | 55 Ų | 55 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 135.7 | 172.9 | -68.6 | -6.4 | 0 | 0 | 0 | 109.3 | A144 S149 | A144-N147 VanDerWaalsContact O-CB 3.25Å; A144-N147 WeakPolarHBondContact O-CB 3.44Å; A144-N147 PolarHBondContact O-N 3.34Å; A144-N147 VanDerWaalsContact O-N 3.15Å; A144-N147 PolarHBondContact O-ND2 3.1Å; N147-S149 PolarHBondContact O-N 2.71Å; N147-S149 VanDerWaalsContact O-N 3.11Å |
| 148 | N | 84.9 | Confident | 91.3 | Very high | 163 Ų | 163 | 55.1 Ų | 55.1 | 87% | 0.872 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 7.3 | -173.4 | -51.8 | -30.1 | 0 | 0 | 0 | 115.5 | ||
| 149 | S | 88.6 | Confident | 91 | Very high | 11 Ų | 11 | 57 Ų | 57 | 8% | 0.077 | 29% | 0.292 | C | S | . | . | trans | -82.3 | 136.9 | 173.1 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | L146 N147 I151 T169 | L146-S149 WeakPolarHBondContact O-CB 3.47Å; L146-S149 PolarHBondContact O-N 2.97Å; N147-S149 PolarHBondContact O-N 2.71Å; N147-S149 VanDerWaalsContact O-N 3.11Å; S149-I151 PolarHBondContact O-N 3.19Å; S149-T169 WeakPolarHBondContact CA-OG1 3.49Å; S149-T169 PolarHBondContact OG-OG1 3.43Å | ||
| 150 | Q | 90.5 | Very high | 90.9 | Very high | 112 Ų | 112 | 56.8 Ų | 56.8 | 52% | 0.523 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 115.3 | 167.5 | -176.5 | 179.1 | 7.2 | 0 | 0 | 108.3 | I152 G167 I168 | Q150-I152 PolarHBondContact O-N 3.18Å; Q150-G167 CarbonylContact O-C 3.57Å; Q150-G167 VanDerWaalsContact O-CA 3.24Å; Q150-G167 WeakPolarHBondContact O-CA 3.25Å; Q150-I168 HydrophobicContact CB-CG1 4.42Å; Q150-I168 PolarHBondContact N-O 3.07Å; Q150-I168 PolarHBondContact O-N 3.21Å |
| 151 | I | 92.6 | Very high | 90.7 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 6% | 0.062 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 126.4 | 175.1 | -57.2 | -53 | 0 | 0 | 0 | 108.8 | F108 V120 L146 S149 L165 | F108-I151 HydrophobicContact CB-CB 3.86Å; F108-I151 HydrophobicContact CB-CG2 3.67Å; F108-I151 HydrophobicContact CD1-CG2 3.69Å; F108-I151 HydrophobicContact CD2-CG2 4.28Å; F108-I151 HydrophobicContact CE1-CG2 4.42Å; F108-I151 HydrophobicContact CG-CB 4.21Å; F108-I151 HydrophobicContact CG-CG2 3.61Å; V120-I151 HydrophobicContact CG1-CG1 4.22Å; L146-I151 HydrophobicContact CD2-CD1 4.27Å; S149-I151 PolarHBondContact O-N 3.19Å; I151-L165 HydrophobicContact CD1-CD1 4.17Å; I151-L165 HydrophobicContact CD1-CD2 4.22Å; I151-L165 HydrophobicContact CD1-CG 4.11Å; I151-L165 HydrophobicContact CG1-CD1 4.44Å; I151-L165 HydrophobicContact CG2-CD1 3.58Å |
| 152 | I | 90 | Very high | 90.8 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 16% | 0.164 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | -23.4 | -176.5 | 54.9 | 162.8 | 0 | 0 | 0 | 113.1 | F25 Q150 I166 I168 | F25-I152 HydrophobicContact CZ-CB 4.4Å; F25-I152 HydrophobicContact CZ-CG2 4.35Å; Q150-I152 PolarHBondContact O-N 3.18Å; I152-I166 HydrophobicContact CD1-CG2 3.92Å; I152-I166 HydrophobicContact CG1-CB 4.3Å; I152-I166 HydrophobicContact CG1-CG2 3.86Å; I152-I166 PolarHBondContact N-O 3.38Å; I152-I168 HydrophobicContact CD1-CG2 3.71Å; I152-I168 HydrophobicContact CG1-CG2 4.37Å; I152-I168 HydrophobicContact CG2-CD1 3.75Å; I152-I168 HydrophobicContact CG2-CG1 3.72Å |
| 153 | N | 91.3 | Very high | 90.9 | Very high | 24 Ų | 24 | 54 Ų | 54 | 13% | 0.128 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 158.3 | -179.5 | -144.1 | -20 | 0 | 0 | 0 | 111.9 | K110 I166 | K110-N153 PolarHBondContact NZ-OD1 3.34Å; N153-I166 HydrophobicContact CB-CB 4.28Å; N153-I166 HydrophobicContact CB-CD1 4.25Å; N153-I166 PolarHBondContact N-O 3.02Å; N153-I166 PolarHBondContact O-N 2.92Å |
| 154 | Y | 94.3 | Very high | 91 | Very high | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 133.3 | 171.2 | -176.5 | -104.9 | 0 | 0 | 0 | 108.7 | I112 A118 V125 H127 F140 L163 L164 L165 | I112-Y154 HydrophobicContact CG2-CD1 3.49Å; I112-Y154 VanDerWaalsContact CG2-CD1 3.49Å; I112-Y154 HydrophobicContact CG2-CE1 3.6Å; A118-Y154 HydrophobicContact CB-CD1 3.26Å; A118-Y154 HydrophobicContact CB-CE1 3.34Å; A118-Y154 HydrophobicContact CB-CG 4.25Å; V125-Y154 HydrophobicContact CG1-CD2 4.42Å; V125-Y154 HydrophobicContact CG1-CE1 4.41Å; V125-Y154 HydrophobicContact CG1-CE2 3.74Å; H127-Y154 AromaticContact NE2-CE1 3.47Å; H127-Y154 WeakPolarHBondContact NE2-CE1 3.33Å; H127-Y154 AromaticContact NE2-CZ 3.57Å; H127-Y154 PolarHBondContact NE2-OH 2.99Å; F140-Y154 HydrophobicContact CE1-CE2 4.16Å; F140-Y154 AromaticContact CZ-CE2 4Å; F140-Y154 HydrophobicContact CZ-CE2 4Å; Y154-L163 HydrophobicContact CE2-CB 4.35Å; Y154-L163 WeakPolarHBondContact OH-CB 3.26Å; Y154-L163 WeakPolarHBondContact OH-CD1 3.39Å; Y154-L164 CarbonylContact C-O 3.53Å; Y154-L164 WeakPolarHBondContact CA-O 3.46Å; Y154-L164 VanDerWaalsContact CD2-O 3.23Å; Y154-L164 WeakPolarHBondContact CD2-O 3.49Å; Y154-L165 HydrophobicContact CD2-CB 4.1Å; Y154-L165 HydrophobicContact CD2-CD1 3.88Å; Y154-L165 HydrophobicContact CE2-CB 4.44Å |
| 155 | R | 93.4 | Very high | 91.3 | Very high | 46 Ų | 46 | 47.7 Ų | 47.7 | 17% | 0.174 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 147.8 | -178.1 | -65.7 | -70.4 | -166.4 | 149.6 | 9.1 | 110.1 | L164 F199 Q263 | R155-L164 HydrophobicContact CB-CB 4.39Å; R155-L164 PolarHBondContact N-O 2.92Å; R155-L164 PolarHBondContact O-N 2.84Å; R155-F199 HydrophobicContact CB-CD2 4.41Å; R155-F199 HydrophobicContact CB-CE2 4.45Å; R155-Q263 VanDerWaalsContact NH1-OE1 3.15Å |
| 156 | A | 93.9 | Very high | 91.6 | Very high | 23 Ų | 23 | 44.7 Ų | 44.7 | 19% | 0.19 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 153.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | I112 W162 L163 F199 | I112-A156 HydrophobicContact CB-CB 4.31Å; I112-A156 HydrophobicContact CD1-CB 4.31Å; I112-A156 HydrophobicContact CG2-CB 4.47Å; A156-W162 WeakPolarHBondContact CA-O 3.43Å; A156-L163 HydrophobicContact CB-CD2 3.71Å; A156-F199 VanDerWaalsContact C-CD2 3.44Å |
| 157 | D | 93 | Very high | 91.7 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | trans | -72.5 | 169.9 | 164.4 | 76.3 | -43.2 | 0 | 0 | 0 | 110.7 | K159 C160 L161 W162 F199 T212 | D157-K159 PolarHBondContact O-N 3.39Å; D157-C160 PolarHBondContact O-N 3.34Å; D157-C160 VanDerWaalsContact OD1-C 3.3Å; D157-C160 VanDerWaalsContact OD1-CA 3.23Å; D157-C160 WeakPolarHBondContact OD1-CA 3.46Å; D157-C160 PolarHBondContact OD1-N 2.87Å; D157-L161 PolarHBondContact OD1-N 3.28Å; D157-W162 HydrophobicContact CB-CB 4.23Å; D157-W162 PolarHBondContact N-O 3.47Å; D157-W162 PolarHBondContact OD1-N 2.69Å; D157-F199 HydrophobicContact CB-CB 3.95Å; D157-F199 HydrophobicContact CB-CD1 4.24Å; D157-F199 HydrophobicContact CB-CD2 4.09Å; D157-F199 HydrophobicContact CB-CG 3.83Å; D157-T212 HydrophobicContact CB-CG2 4.03Å | ||
| 158 | E | 86.3 | Confident | 91.9 | Very high | 130 Ų | 130 | 42 Ų | 42 | 61% | 0.607 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -32.4 | -175.3 | -173.7 | 169.1 | -156.7 | 0 | 0 | 113.2 | N201 | E158-N201 PolarHBondContact OE2-ND2 3.23Š|
| 159 | K | 88 | Confident | 92.2 | Very high | 147 Ų | 147 | 35.5 Ų | 35.5 | 64% | 0.639 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -0.2 | 178.2 | -63.2 | 179.5 | -179.9 | 174.9 | 0 | 113.4 | D157 L161 | D157-K159 PolarHBondContact O-N 3.39Å; K159-L161 HydrophobicContact CB-CD1 4.02Å; K159-L161 HydrophobicContact CB-CG 3.91Å; K159-L161 HydrophobicContact CD-CD1 4.26Å; K159-L161 PolarHBondContact O-N 3.41Å; K159-L161 VanDerWaalsContact O-N 3.15Å |
| 160 | C | 90.6 | Very high | 92 | Very high | 35 Ų | 35 | 39.2 Ų | 39.2 | 24% | 0.236 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 52.2 | 29.1 | -173.3 | -62.8 | 0 | 0 | 0 | 0 | 114.1 | D157 V184 | D157-C160 PolarHBondContact O-N 3.34Å; D157-C160 VanDerWaalsContact OD1-C 3.3Å; D157-C160 VanDerWaalsContact OD1-CA 3.23Å; D157-C160 WeakPolarHBondContact OD1-CA 3.46Å; D157-C160 PolarHBondContact OD1-N 2.87Å; C160-V184 WeakPolarHBondContact O-CG2 3.45Å |
| 161 | L | 91.7 | Very high | 91.6 | Very high | 67 Ų | 67 | 39.5 Ų | 39.5 | 35% | 0.351 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -87.4 | -23.4 | 174.8 | -66 | 177.8 | 0 | 0 | 0 | 112.2 | D157 K159 V184 | D157-L161 PolarHBondContact OD1-N 3.28Å; K159-L161 HydrophobicContact CB-CD1 4.02Å; K159-L161 HydrophobicContact CB-CG 3.91Å; K159-L161 HydrophobicContact CD-CD1 4.26Å; K159-L161 PolarHBondContact O-N 3.41Å; K159-L161 VanDerWaalsContact O-N 3.15Å; L161-V184 PolarHBondContact O-N 2.95Å |
| 162 | W | 95 | Very high | 90.9 | Very high | 34 Ų | 34 | 46.4 Ų | 46.4 | 13% | 0.129 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 127.3 | 178.4 | -67.6 | 97.2 | 0 | 0 | 0 | 110.3 | A156 D157 L181 Y182 F199 V231 G232 | A156-W162 WeakPolarHBondContact CA-O 3.43Å; D157-W162 HydrophobicContact CB-CB 4.23Å; D157-W162 PolarHBondContact N-O 3.47Å; D157-W162 PolarHBondContact OD1-N 2.69Å; W162-L181 HydrophobicContact CE3-CD1 4.08Å; W162-L181 HydrophobicContact CE3-CD2 4.25Å; W162-L181 HydrophobicContact CE3-CG 4.04Å; W162-L181 HydrophobicContact CZ3-CD2 4.18Å; W162-L181 HydrophobicContact CZ3-CG 4.25Å; W162-Y182 WeakPolarHBondContact CA-O 3.49Å; W162-F199 HydrophobicContact CB-CD1 4.45Å; W162-F199 HydrophobicContact CB-CE1 3.72Å; W162-F199 HydrophobicContact CB-CE2 4.43Å; W162-F199 HydrophobicContact CB-CZ 3.7Å; W162-F199 HydrophobicContact CG-CE1 4.5Å; W162-V231 HydrophobicContact CD2-CB 4.07Å; W162-V231 HydrophobicContact CD2-CG2 4.09Å; W162-V231 HydrophobicContact CG-CG2 4.01Å; W162-V231 HydrophobicContact CH2-CB 4.41Å; W162-V231 HydrophobicContact CZ2-CB 3.98Å; W162-G232 VanDerWaalsContact CZ2-N 3.34Å |
| 163 | L | 96.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 138.4 | -176.8 | -51 | 176.9 | 0 | 0 | 0 | 109.3 | M139 F140 Y154 A156 L181 Y182 V184 | M139-L163 HydrophobicContact CB-CD1 3.98Å; M139-L163 HydrophobicContact CE-CD1 3.84Å; M139-L163 HydrophobicContact CG-CD1 4.23Å; F140-L163 HydrophobicContact CD1-CD1 4.05Å; F140-L163 HydrophobicContact CE1-CB 3.78Å; F140-L163 HydrophobicContact CE1-CD1 3.87Å; F140-L163 HydrophobicContact CE1-CG 4.47Å; Y154-L163 HydrophobicContact CE2-CB 4.35Å; Y154-L163 WeakPolarHBondContact OH-CB 3.26Å; Y154-L163 WeakPolarHBondContact OH-CD1 3.39Å; A156-L163 HydrophobicContact CB-CD2 3.71Å; L163-L181 CarbonylContact O-C 3.57Å; L163-L181 WeakPolarHBondContact O-CA 3.47Å; L163-Y182 HydrophobicContact CD1-CD1 3.94Å; L163-Y182 HydrophobicContact CG-CD1 4.4Å; L163-Y182 PolarHBondContact N-O 3.26Å; L163-Y182 PolarHBondContact O-N 2.91Å; L163-V184 HydrophobicContact CD1-CG2 3.65Å; L163-V184 HydrophobicContact CG-CG2 3.85Å |
| 164 | L | 96 | Very high | 89.7 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 117.9 | -176.3 | -179.9 | 71.6 | 0 | 0 | 0 | 110.1 | Y154 R155 I166 M179 Q180 L181 F199 F214 | Y154-L164 CarbonylContact C-O 3.53Å; Y154-L164 WeakPolarHBondContact CA-O 3.46Å; Y154-L164 VanDerWaalsContact CD2-O 3.23Å; Y154-L164 WeakPolarHBondContact CD2-O 3.49Å; R155-L164 HydrophobicContact CB-CB 4.39Å; R155-L164 PolarHBondContact N-O 2.92Å; R155-L164 PolarHBondContact O-N 2.84Å; L164-I166 HydrophobicContact CD2-CD1 3.82Å; L164-I166 HydrophobicContact CD2-CG1 4.03Å; L164-I166 HydrophobicContact CG-CD1 4.29Å; L164-I166 HydrophobicContact CG-CG1 3.92Å; L164-M179 HydrophobicContact CD1-CB 4Å; L164-M179 HydrophobicContact CD1-SD 4.25Å; L164-Q180 WeakPolarHBondContact CA-O 3.12Å; L164-L181 HydrophobicContact CD1-CB 4.42Å; L164-L181 HydrophobicContact CD1-CD1 4.34Å; L164-F199 HydrophobicContact CB-CE2 3.73Å; L164-F199 HydrophobicContact CB-CZ 3.89Å; L164-F214 HydrophobicContact CD1-CE2 3.85Å; L164-F214 HydrophobicContact CD1-CZ 3.73Å; L164-F214 HydrophobicContact CD2-CD2 4.47Å; L164-F214 HydrophobicContact CD2-CE2 3.58Å; L164-F214 HydrophobicContact CD2-CZ 4.26Å; L164-F214 HydrophobicContact CG-CE2 4.31Å |
| 165 | L | 95.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.3 | 171.8 | -177.1 | 65.2 | 0 | 0 | 0 | 109.6 | V120 V125 F140 R142 L146 I151 Y154 M179 Q180 | V120-L165 HydrophobicContact CG1-CD1 4.04Å; V120-L165 HydrophobicContact CG1-CD2 4.33Å; V120-L165 HydrophobicContact CG2-CD1 3.9Å; V125-L165 HydrophobicContact CG2-CD2 3.91Å; F140-L165 HydrophobicContact CE2-CD2 4.49Å; F140-L165 HydrophobicContact CZ-CB 4.28Å; R142-L165 HydrophobicContact CG-CD2 3.86Å; L146-L165 HydrophobicContact CD1-CB 4.48Å; L146-L165 HydrophobicContact CD1-CD2 3.68Å; L146-L165 HydrophobicContact CD1-CG 4.06Å; I151-L165 HydrophobicContact CD1-CD1 4.17Å; I151-L165 HydrophobicContact CD1-CD2 4.22Å; I151-L165 HydrophobicContact CD1-CG 4.11Å; I151-L165 HydrophobicContact CG1-CD1 4.44Å; I151-L165 HydrophobicContact CG2-CD1 3.58Å; Y154-L165 HydrophobicContact CD2-CB 4.1Å; Y154-L165 HydrophobicContact CD2-CD1 3.88Å; Y154-L165 HydrophobicContact CE2-CB 4.44Å; L165-M179 CarbonylContact O-C 3.49Å; L165-M179 WeakPolarHBondContact O-CA 3.29Å; L165-Q180 HydrophobicContact CB-CB 4.36Å; L165-Q180 PolarHBondContact N-O 3.39Å; L165-Q180 PolarHBondContact O-N 3.03Å |
| 166 | I | 94.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 124.2 | -176.4 | -50 | -176.8 | 0 | 0 | 0 | 109.5 | I152 N153 L164 M179 | I152-I166 HydrophobicContact CD1-CG2 3.92Å; I152-I166 HydrophobicContact CG1-CB 4.3Å; I152-I166 HydrophobicContact CG1-CG2 3.86Å; I152-I166 PolarHBondContact N-O 3.38Å; N153-I166 HydrophobicContact CB-CB 4.28Å; N153-I166 HydrophobicContact CB-CD1 4.25Å; N153-I166 PolarHBondContact N-O 3.02Å; N153-I166 PolarHBondContact O-N 2.92Å; L164-I166 HydrophobicContact CD2-CD1 3.82Å; L164-I166 HydrophobicContact CD2-CG1 4.03Å; L164-I166 HydrophobicContact CG-CD1 4.29Å; L164-I166 HydrophobicContact CG-CG1 3.92Å; I166-M179 HydrophobicContact CB-CG 4.29Å; I166-M179 HydrophobicContact CD1-SD 4.27Å; I166-M179 HydrophobicContact CG1-CG 4.01Å; I166-M179 HydrophobicContact CG1-SD 4.16Å; I166-M179 HydrophobicContact CG2-CG 4Å |
| 167 | G | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 154.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q150 T178 | Q150-G167 CarbonylContact O-C 3.57Å; Q150-G167 VanDerWaalsContact O-CA 3.24Å; Q150-G167 WeakPolarHBondContact O-CA 3.25Å; G167-T178 PolarHBondContact N-O 3.49Å; G167-T178 PolarHBondContact O-N 3.36Å |
| 168 | I | 90.7 | Very high | 88.9 | Confident | 33 Ų | 33 | 57.4 Ų | 57.4 | 17% | 0.169 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 146.5 | 174.7 | 58 | 172.6 | 0 | 0 | 0 | 110.5 | Q150 I152 V175 V176 | Q150-I168 HydrophobicContact CB-CG1 4.42Å; Q150-I168 PolarHBondContact N-O 3.07Å; Q150-I168 PolarHBondContact O-N 3.21Å; I152-I168 HydrophobicContact CD1-CG2 3.71Å; I152-I168 HydrophobicContact CG1-CG2 4.37Å; I152-I168 HydrophobicContact CG2-CD1 3.75Å; I152-I168 HydrophobicContact CG2-CG1 3.72Å; I168-V175 HydrophobicContact CB-CG1 3.75Å; I168-V175 HydrophobicContact CD1-CG1 4.17Å; I168-V175 HydrophobicContact CG1-CG1 4.46Å; I168-V175 HydrophobicContact CG2-CG1 4.08Å; I168-V176 CarbonylContact C-O 3.58Å; I168-V176 WeakPolarHBondContact CA-O 3.25Å |
| 169 | T | 90 | Very high | 89.4 | Confident | 27 Ų | 27 | 51.2 Ų | 51.2 | 17% | 0.166 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 135.9 | 175.7 | -53.4 | 0 | 0 | 0 | 0 | 109.6 | S149 K171 V176 | S149-T169 WeakPolarHBondContact CA-OG1 3.49Å; S149-T169 PolarHBondContact OG-OG1 3.43Å; T169-K171 HydrophobicContact CG2-CG 4.12Å; T169-K171 PolarHBondContact O-N 3.17Å; T169-V176 PolarHBondContact N-O 3.45Å; T169-V176 PolarHBondContact O-N 3.16Å |
| 170 | A | 85.7 | Confident | 89.7 | Confident | 90 Ų | 90 | 44.2 Ų | 44.2 | 74% | 0.744 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 119.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | R174 | A170-R174 WeakPolarHBondContact CA-O 3.49Å |
| 171 | K | 82.5 | Confident | 90 | Very high | 118 Ų | 118 | 42.8 Ų | 42.8 | 51% | 0.513 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 129.8 | 175.2 | -68.3 | -174.9 | 177.6 | 179.3 | 0 | 108.2 | T169 N173 R174 V176 | T169-K171 HydrophobicContact CG2-CG 4.12Å; T169-K171 PolarHBondContact O-N 3.17Å; K171-N173 PolarHBondContact O-N 3.3Å; K171-R174 PolarHBondContact N-O 3.45Å; K171-R174 CarbonylContact O-C 3.56Å; K171-R174 WeakPolarHBondContact O-CG 3.32Å; K171-R174 PolarHBondContact O-N 3.47Å; K171-V176 HydrophobicContact CB-CG2 4.11Å; K171-V176 HydrophobicContact CD-CG2 4.32Å; K171-V176 HydrophobicContact CG-CG2 4.49Å |
| 172 | E | 76.8 | Confident | 90.2 | Very high | 156 Ų | 156 | 40.6 Ų | 40.6 | 73% | 0.729 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 47.3 | 172.1 | -54.5 | 168.9 | 155 | 0 | 0 | 114.3 | R174 | E172-R174 PolarHBondContact O-N 3.07Å; E172-R174 IonicContact OE2-CZ 3.73Å; E172-R174 IonicContact OE2-NE 2.76Å; E172-R174 PolarHBondContact OE2-NE 3.14Å; E172-R174 IonicContact OE2-NH2 3.93Å; E172-R174 PolarHBondContact OE2-NH2 3.01Å |
| 173 | N | 75.9 | Confident | 90.2 | Very high | 175 Ų | 175 | 39.1 Ų | 39.1 | 94% | 0.936 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 6.1 | -175 | -70.3 | -17.8 | 0 | 0 | 0 | 116.3 | K171 | K171-N173 PolarHBondContact O-N 3.3Š|
| 174 | R | 81.1 | Confident | 90 | Very high | 108 Ų | 108 | 41 Ų | 41 | 41% | 0.408 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 159.6 | 171.2 | 58.5 | 173.4 | 171 | 162.3 | -3.8 | 111.5 | A170 K171 E172 V176 P221 | A170-R174 WeakPolarHBondContact CA-O 3.49Å; K171-R174 PolarHBondContact N-O 3.45Å; K171-R174 CarbonylContact O-C 3.56Å; K171-R174 WeakPolarHBondContact O-CG 3.32Å; K171-R174 PolarHBondContact O-N 3.47Å; E172-R174 PolarHBondContact O-N 3.07Å; E172-R174 IonicContact OE2-CZ 3.73Å; E172-R174 IonicContact OE2-NE 2.76Å; E172-R174 PolarHBondContact OE2-NE 3.14Å; E172-R174 IonicContact OE2-NH2 3.93Å; E172-R174 PolarHBondContact OE2-NH2 3.01Å; R174-V176 HydrophobicContact CG-CG2 4.4Å; R174-P221 VanDerWaalsContact NH1-CG 3.27Å |
| 175 | V | 85.7 | Confident | 89.7 | Confident | 36 Ų | 36 | 48 Ų | 48 | 22% | 0.218 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 116.7 | 172.7 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | I168 H195 F258 | I168-V175 HydrophobicContact CB-CG1 3.75Å; I168-V175 HydrophobicContact CD1-CG1 4.17Å; I168-V175 HydrophobicContact CG1-CG1 4.46Å; I168-V175 HydrophobicContact CG2-CG1 4.08Å; V175-H195 PolarHBondContact O-NE2 3.17Å; V175-F258 HydrophobicContact CB-CD1 4.13Å; V175-F258 HydrophobicContact CB-CE1 3.67Å; V175-F258 HydrophobicContact CB-CE2 4.33Å; V175-F258 HydrophobicContact CB-CZ 3.8Å; V175-F258 HydrophobicContact CG1-CE1 4.24Å; V175-F258 HydrophobicContact CG1-CE2 4.06Å; V175-F258 HydrophobicContact CG1-CZ 3.84Å; V175-F258 HydrophobicContact CG2-CD1 4.39Å; V175-F258 HydrophobicContact CG2-CE1 3.56Å; V175-F258 HydrophobicContact CG2-CZ 3.79Å |
| 176 | V | 88.1 | Confident | 89.4 | Confident | 28 Ų | 28 | 54.8 Ų | 54.8 | 17% | 0.17 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 126.5 | 175.5 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | I168 T169 K171 R174 | I168-V176 CarbonylContact C-O 3.58Å; I168-V176 WeakPolarHBondContact CA-O 3.25Å; T169-V176 PolarHBondContact N-O 3.45Å; T169-V176 PolarHBondContact O-N 3.16Å; K171-V176 HydrophobicContact CB-CG2 4.11Å; K171-V176 HydrophobicContact CD-CG2 4.32Å; K171-V176 HydrophobicContact CG-CG2 4.49Å; R174-V176 HydrophobicContact CG-CG2 4.4Å |
| 177 | G | 90.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 128.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G194 H195 | G177-G194 CarbonylContact C-O 3.57Å; G177-G194 WeakPolarHBondContact CA-O 3.23Å; G177-G194 PolarHBondContact O-N 3.18Å; G177-H195 PolarHBondContact N-NE2 3.04Å |
| 178 | T | 93.3 | Very high | 89.2 | Confident | 18 Ų | 18 | 68.5 Ų | 68.5 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 133 | 175.4 | -53.3 | 0 | 0 | 0 | 0 | 108.1 | L146 G167 G194 | L146-T178 HydrophobicContact CD2-CG2 3.83Å; L146-T178 WeakPolarHBondContact CD2-O 3.38Å; L146-T178 HydrophobicContact CG-CG2 4.04Å; G167-T178 PolarHBondContact N-O 3.49Å; G167-T178 PolarHBondContact O-N 3.36Å; T178-G194 PolarHBondContact N-O 3.44Å |
| 179 | M | 95.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 154.1 | 176.5 | -58.4 | 179.8 | -58.1 | 0 | 0 | 110.7 | L164 L165 I166 V192 G194 F214 F216 | L164-M179 HydrophobicContact CD1-CB 4Å; L164-M179 HydrophobicContact CD1-SD 4.25Å; L165-M179 CarbonylContact O-C 3.49Å; L165-M179 WeakPolarHBondContact O-CA 3.29Å; I166-M179 HydrophobicContact CB-CG 4.29Å; I166-M179 HydrophobicContact CD1-SD 4.27Å; I166-M179 HydrophobicContact CG1-CG 4.01Å; I166-M179 HydrophobicContact CG1-SD 4.16Å; I166-M179 HydrophobicContact CG2-CG 4Å; M179-V192 WeakPolarHBondContact CA-O 3.44Å; M179-V192 HydrophobicContact CB-CB 4.33Å; M179-V192 WeakPolarHBondContact CB-O 3.39Å; M179-V192 HydrophobicContact CE-CB 4.07Å; M179-V192 HydrophobicContact CE-CG1 3.63Å; M179-V192 PolarHBondContact N-O 3.32Å; M179-V192 PolarHBondContact O-N 3.35Å; M179-G194 WeakPolarHBondContact CG-O 3.48Å; M179-F214 HydrophobicContact CE-CZ 4.2Å; M179-F216 HydrophobicContact CE-CB 3.77Å; M179-F216 HydrophobicContact CE-CD2 3.64Å; M179-F216 HydrophobicContact CE-CE2 4.46Å; M179-F216 HydrophobicContact CE-CG 3.87Å; M179-F216 HydrophobicContact SD-CB 4.39Å |
| 180 | Q | 95.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 113 | 169.6 | 176.5 | 178.6 | 3.3 | 0 | 0 | 108 | F140 E141 H143 L146 L164 L165 S189 | F140-Q180 VanDerWaalsContact CD2-NE2 3.31Å; F140-Q180 HydrophobicContact CE2-CG 4.14Å; E141-Q180 PolarHBondContact O-NE2 2.64Å; H143-Q180 HydrophobicContact CB-CG 4.2Å; L146-Q180 HydrophobicContact CD1-CB 3.63Å; L164-Q180 WeakPolarHBondContact CA-O 3.12Å; L165-Q180 HydrophobicContact CB-CB 4.36Å; L165-Q180 PolarHBondContact N-O 3.39Å; L165-Q180 PolarHBondContact O-N 3.03Å; Q180-S189 PolarHBondContact NE2-OG 3.36Å |
| 181 | L | 95.8 | Very high | 89.8 | Confident | 5 Ų | 5 | 71.8 Ų | 71.8 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 128.2 | 172.3 | -178.5 | 68.5 | 0 | 0 | 0 | 108.5 | W162 L163 L164 S189 Q190 V192 F199 F214 V231 | W162-L181 HydrophobicContact CE3-CD1 4.08Å; W162-L181 HydrophobicContact CE3-CD2 4.25Å; W162-L181 HydrophobicContact CE3-CG 4.04Å; W162-L181 HydrophobicContact CZ3-CD2 4.18Å; W162-L181 HydrophobicContact CZ3-CG 4.25Å; L163-L181 CarbonylContact O-C 3.57Å; L163-L181 WeakPolarHBondContact O-CA 3.47Å; L164-L181 HydrophobicContact CD1-CB 4.42Å; L164-L181 HydrophobicContact CD1-CD1 4.34Å; L181-S189 CarbonylContact O-C 3.59Å; L181-S189 WeakPolarHBondContact O-CA 3.45Å; L181-Q190 PolarHBondContact N-O 3.44Å; L181-Q190 PolarHBondContact O-N 2.89Å; L181-V192 HydrophobicContact CB-CG2 4.35Å; L181-F199 HydrophobicContact CD1-CE1 3.87Å; L181-F199 HydrophobicContact CD1-CZ 3.59Å; L181-F214 HydrophobicContact CD1-CD1 4.45Å; L181-F214 HydrophobicContact CD1-CE1 4.49Å; L181-F214 HydrophobicContact CD2-CD1 3.89Å; L181-F214 HydrophobicContact CD2-CE1 4.03Å; L181-V231 HydrophobicContact CD2-CG1 4.47Å |
| 182 | Y | 96 | Very high | 90.3 | Very high | 22 Ų | 22 | 67.1 Ų | 67.1 | 9% | 0.086 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 133.1 | -179.1 | 179.3 | -103.3 | 0 | 0 | 0 | 110.7 | M139 F140 W162 L163 V184 R187 V188 S189 | M139-Y182 PolarHBondContact O-OH 3.42Å; F140-Y182 HydrophobicContact CB-CD1 4.15Å; F140-Y182 HydrophobicContact CB-CD2 3.69Å; F140-Y182 HydrophobicContact CB-CE1 4.06Å; F140-Y182 HydrophobicContact CB-CE2 3.61Å; F140-Y182 HydrophobicContact CB-CG 3.94Å; F140-Y182 AromaticContact CD1-CD1 3.46Å; F140-Y182 HydrophobicContact CD1-CD1 3.46Å; F140-Y182 VanDerWaalsContact CD1-CD1 3.46Å; F140-Y182 HydrophobicContact CD1-CD2 4.18Å; F140-Y182 HydrophobicContact CD1-CE1 4.01Å; F140-Y182 AromaticContact CD1-CG 3.53Å; F140-Y182 HydrophobicContact CD1-CG 3.53Å; F140-Y182 HydrophobicContact CE1-CD1 4.14Å; F140-Y182 HydrophobicContact CE1-CG 4.13Å; F140-Y182 HydrophobicContact CG-CD1 4.07Å; F140-Y182 AromaticContact CG-CD2 3.97Å; F140-Y182 HydrophobicContact CG-CD2 3.97Å; F140-Y182 HydrophobicContact CG-CE1 4.44Å; F140-Y182 HydrophobicContact CG-CE2 4.37Å; F140-Y182 AromaticContact CG-CG 3.78Å; F140-Y182 HydrophobicContact CG-CG 3.78Å; W162-Y182 WeakPolarHBondContact CA-O 3.49Å; L163-Y182 HydrophobicContact CD1-CD1 3.94Å; L163-Y182 HydrophobicContact CG-CD1 4.4Å; L163-Y182 PolarHBondContact N-O 3.26Å; L163-Y182 PolarHBondContact O-N 2.91Å; Y182-V184 HydrophobicContact CD1-CG2 4.08Å; Y182-V184 HydrophobicContact CE1-CB 4.41Å; Y182-V184 HydrophobicContact CE1-CG2 4Å; Y182-R187 WeakPolarHBondContact OH-CA 3.29Å; Y182-V188 WeakPolarHBondContact CA-O 3.31Å; Y182-V188 VanDerWaalsContact CD2-O 3.3Å; Y182-V188 WeakPolarHBondContact CD2-O 3.38Å; Y182-S189 VanDerWaalsContact CD2-OG 3.3Å; Y182-S189 WeakPolarHBondContact CD2-OG 3.49Å |
| 183 | S | 94.5 | Very high | 90.9 | Very high | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 118 | 169.8 | -178.9 | 0 | 0 | 0 | 0 | 109 | R186 R187 V188 | S183-R186 PolarHBondContact OG-N 3.19Å; S183-R187 WeakPolarHBondContact O-CA 3.24Å; S183-R187 PolarHBondContact O-N 3.07Å; S183-V188 PolarHBondContact N-O 3.37Å; S183-V188 PolarHBondContact O-N 2.85Å |
| 184 | V | 92.7 | Very high | 91.7 | Very high | 40 Ų | 40 | 57.3 Ų | 57.3 | 24% | 0.242 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -41.6 | 177.3 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | M139 C160 L161 L163 Y182 R187 | M139-V184 HydrophobicContact CE-CG1 4.29Å; M139-V184 HydrophobicContact CE-CG2 4.02Å; C160-V184 WeakPolarHBondContact O-CG2 3.45Å; L161-V184 PolarHBondContact O-N 2.95Å; L163-V184 HydrophobicContact CD1-CG2 3.65Å; L163-V184 HydrophobicContact CG-CG2 3.85Å; Y182-V184 HydrophobicContact CD1-CG2 4.08Å; Y182-V184 HydrophobicContact CE1-CB 4.41Å; Y182-V184 HydrophobicContact CE1-CG2 4Å; V184-R187 WeakPolarHBondContact O-CG 3.49Å; V184-R187 PolarHBondContact O-N 2.98Å |
| 185 | E | 90 | Very high | 92.2 | Very high | 145 Ų | 145 | 52.3 Ų | 52.3 | 68% | 0.678 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -47.6 | -179.5 | -173.2 | -175.1 | -174.2 | 0 | 0 | 111.8 | ||
| 186 | R | 89.8 | Confident | 92.5 | Very high | 143 Ų | 143 | 50.8 Ų | 50.8 | 54% | 0.54 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -13.9 | -179.9 | -60 | -175.3 | -178.8 | -172.4 | 1.3 | 113.2 | S183 V188 N233 | S183-R186 PolarHBondContact OG-N 3.19Å; R186-V188 HydrophobicContact CB-CB 4.48Å; R186-V188 HydrophobicContact CB-CG2 4.28Å; R186-V188 WeakPolarHBondContact O-CG2 3.49Å; R186-V188 PolarHBondContact O-N 3Å; R186-N233 PolarHBondContact NH2-OD1 3.21Å; R186-N233 VanDerWaalsContact NH2-OD1 3.13Å |
| 187 | R | 91.2 | Very high | 92.8 | Very high | 204 Ų | 204 | 49.5 Ų | 49.5 | 77% | 0.77 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 34.4 | -172.1 | -56.6 | -178.5 | 179 | -176.5 | -0.8 | 114 | Y182 S183 V184 | Y182-R187 WeakPolarHBondContact OH-CA 3.29Å; S183-R187 WeakPolarHBondContact O-CA 3.24Å; S183-R187 PolarHBondContact O-N 3.07Å; V184-R187 WeakPolarHBondContact O-CG 3.49Å; V184-R187 PolarHBondContact O-N 2.98Å |
| 188 | V | 91.5 | Very high | 93 | Very high | 87 Ų | 87 | 49.6 Ų | 49.6 | 53% | 0.527 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.7 | -177.8 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | Y182 S183 R186 | Y182-V188 WeakPolarHBondContact CA-O 3.31Å; Y182-V188 VanDerWaalsContact CD2-O 3.3Å; Y182-V188 WeakPolarHBondContact CD2-O 3.38Å; S183-V188 PolarHBondContact N-O 3.37Å; S183-V188 PolarHBondContact O-N 2.85Å; R186-V188 HydrophobicContact CB-CB 4.48Å; R186-V188 HydrophobicContact CB-CG2 4.28Å; R186-V188 WeakPolarHBondContact O-CG2 3.49Å; R186-V188 PolarHBondContact O-N 3Å |
| 189 | S | 92.4 | Very high | 93 | Very high | 41 Ų | 41 | 50.3 Ų | 50.3 | 29% | 0.287 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 137.8 | 169.2 | -70 | 0 | 0 | 0 | 0 | 111 | Q180 L181 Y182 | Q180-S189 PolarHBondContact NE2-OG 3.36Å; L181-S189 CarbonylContact O-C 3.59Å; L181-S189 WeakPolarHBondContact O-CA 3.45Å; Y182-S189 VanDerWaalsContact CD2-OG 3.3Å; Y182-S189 WeakPolarHBondContact CD2-OG 3.49Å |
| 190 | Q | 92.9 | Very high | 92.8 | Very high | 117 Ų | 117 | 50.6 Ų | 50.6 | 55% | 0.547 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 119.3 | 172.6 | -174.1 | 175.5 | 10.4 | 0 | 0 | 109.7 | L181 V192 | L181-Q190 PolarHBondContact N-O 3.44Å; L181-Q190 PolarHBondContact O-N 2.89Å; Q190-V192 HydrophobicContact CG-CG2 4.3Å |
| 191 | P | 93.4 | Very high | 92.5 | Very high | 60 Ų | 60 | 53 Ų | 53 | 39% | 0.39 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 134.7 | 170.3 | 30.1 | -33.3 | 0 | 0 | 0 | 110.1 | T145 | T145-P191 HydrophobicContact CG2-CB 4.45Å |
| 192 | V | 92.7 | Very high | 92.2 | Very high | 21 Ų | 21 | 53.4 Ų | 53.4 | 13% | 0.127 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 131.7 | -179.6 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | M179 L181 Q190 F216 | M179-V192 WeakPolarHBondContact CA-O 3.44Å; M179-V192 HydrophobicContact CB-CB 4.33Å; M179-V192 WeakPolarHBondContact CB-O 3.39Å; M179-V192 HydrophobicContact CE-CB 4.07Å; M179-V192 HydrophobicContact CE-CG1 3.63Å; M179-V192 PolarHBondContact N-O 3.32Å; M179-V192 PolarHBondContact O-N 3.35Å; L181-V192 HydrophobicContact CB-CG2 4.35Å; Q190-V192 HydrophobicContact CG-CG2 4.3Å; V192-F216 HydrophobicContact CG1-CD2 4.05Å; V192-F216 HydrophobicContact CG1-CE1 4.44Å; V192-F216 HydrophobicContact CG1-CE2 3.64Å; V192-F216 HydrophobicContact CG1-CZ 3.85Å |
| 193 | E | 90.5 | Very high | 91.7 | Very high | 124 Ų | 124 | 58 Ų | 58 | 58% | 0.579 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 124.7 | 169.8 | -67 | -172.6 | 163.7 | 0 | 0 | 109.7 | V218 | E193-V218 HydrophobicContact CB-CG2 4.25Å |
| 194 | G | 92.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | 174.7 | 153 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | G177 T178 M179 T217 | G177-G194 CarbonylContact C-O 3.57Å; G177-G194 WeakPolarHBondContact CA-O 3.23Å; G177-G194 PolarHBondContact O-N 3.18Å; T178-G194 PolarHBondContact N-O 3.44Å; M179-G194 WeakPolarHBondContact CG-O 3.48Å; G194-T217 CarbonylContact C-O 3.59Å; G194-T217 VanDerWaalsContact CA-O 3.3Å; G194-T217 WeakPolarHBondContact CA-O 3.35Å | ||
| 195 | H | 91.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.019 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -97.2 | -34.4 | -172.4 | -64.5 | 77.3 | 0 | 0 | 0 | 112.7 | V175 G177 T217 K219 F258 P259 | V175-H195 PolarHBondContact O-NE2 3.17Å; G177-H195 PolarHBondContact N-NE2 3.04Å; H195-T217 PolarHBondContact N-O 3.05Å; H195-K219 PolarHBondContact CE1-N 3.43Å; H195-K219 VanDerWaalsContact CE1-N 3.28Å; H195-K219 PolarHBondContact CE1-O 2.97Å; H195-K219 VanDerWaalsContact CE1-O 3.28Å; H195-K219 PolarHBondContact ND1-N 3.46Å; H195-F258 AromaticContact CD2-CD2 3.82Å; H195-P259 HydrophobicContact CB-CB 4.23Å; H195-P259 WeakPolarHBondContact CB-O 3.2Å |
| 196 | A | 93.1 | Very high | 89.6 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 3% | 0.025 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 144.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | F216 T217 P259 M262 | A196-F216 CarbonylContact O-C 3.58Å; A196-F216 VanDerWaalsContact O-CA 3.3Å; A196-F216 WeakPolarHBondContact O-CA 3.21Å; A196-T217 HydrophobicContact CB-CG2 4.15Å; A196-T217 PolarHBondContact O-N 3.27Å; A196-P259 HydrophobicContact CB-CB 4.32Å; A196-M262 HydrophobicContact CB-CB 4.04Å |
| 197 | G | 93.9 | Very high | 89.3 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 159.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C215 | G197-C215 CarbonylContact C-O 3.34Å; G197-C215 WeakPolarHBondContact CA-O 3.44Å |
| 198 | C | 94.2 | Very high | 88.7 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.02 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 164.2 | 177.9 | 66.7 | 0 | 0 | 0 | 0 | 111.2 | C215 | C198-C215 PolarHBondContact N-O 3.25Å; C198-C215 PolarHBondContact O-N 3.44Å |
| 199 | F | 94.5 | Very high | 88.3 | Confident | 32 Ų | 32 | 47.7 Ų | 47.7 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 146.8 | 170.5 | -61.5 | -73.6 | 0 | 0 | 0 | 110.5 | R155 A156 D157 W162 L164 L181 L213 F214 | R155-F199 HydrophobicContact CB-CD2 4.41Å; R155-F199 HydrophobicContact CB-CE2 4.45Å; A156-F199 VanDerWaalsContact C-CD2 3.44Å; D157-F199 HydrophobicContact CB-CB 3.95Å; D157-F199 HydrophobicContact CB-CD1 4.24Å; D157-F199 HydrophobicContact CB-CD2 4.09Å; D157-F199 HydrophobicContact CB-CG 3.83Å; W162-F199 HydrophobicContact CB-CD1 4.45Å; W162-F199 HydrophobicContact CB-CE1 3.72Å; W162-F199 HydrophobicContact CB-CE2 4.43Å; W162-F199 HydrophobicContact CB-CZ 3.7Å; W162-F199 HydrophobicContact CG-CE1 4.5Å; L164-F199 HydrophobicContact CB-CE2 3.73Å; L164-F199 HydrophobicContact CB-CZ 3.89Å; L181-F199 HydrophobicContact CD1-CE1 3.87Å; L181-F199 HydrophobicContact CD1-CZ 3.59Å; F199-L213 CarbonylContact C-O 3.48Å; F199-L213 VanDerWaalsContact CA-O 3.31Å; F199-L213 WeakPolarHBondContact CA-O 3.49Å; F199-F214 HydrophobicContact CD1-CB 4.05Å; F199-F214 HydrophobicContact CD1-CD2 4.15Å; F199-F214 HydrophobicContact CD1-CG 4.47Å; F199-F214 HydrophobicContact CE1-CB 3.95Å; F199-F214 AromaticContact CE1-CD2 3.83Å; F199-F214 HydrophobicContact CE1-CD2 3.83Å; F199-F214 HydrophobicContact CE1-CG 4.07Å; F199-F214 HydrophobicContact CZ-CD2 4.38Å |
| 200 | V | 91.2 | Very high | 88.1 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 124.9 | 179.2 | -166.7 | 0 | 0 | 0 | 0 | 108.2 | F202 L213 A264 | V200-F202 HydrophobicContact CG1-CB 4.26Å; V200-F202 PolarHBondContact O-N 2.95Å; V200-L213 HydrophobicContact CB-CB 4.4Å; V200-L213 PolarHBondContact N-O 3.29Å; V200-L213 PolarHBondContact O-N 3.04Å; V200-A264 HydrophobicContact CB-CB 4.27Å; V200-A264 HydrophobicContact CG1-CB 4.08Å; V200-A264 HydrophobicContact CG2-CB 3.23Å |
| 201 | N | 89.6 | Confident | 87.9 | Confident | 52 Ų | 52 | 42.7 Ų | 42.7 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 102.5 | 170.3 | -159.4 | 2.8 | 0 | 0 | 0 | 107.6 | E158 P210 | E158-N201 PolarHBondContact OE2-ND2 3.23Å; N201-P210 WeakPolarHBondContact OD1-CB 3.11Å; N201-P210 WeakPolarHBondContact OD1-CG 3.28Å |
| 202 | F | 89.2 | Confident | 87.8 | Confident | 12 Ų | 12 | 41.1 Ų | 41.1 | 5% | 0.053 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123.5 | -167.6 | -175.8 | -101.1 | 0 | 0 | 0 | 111.2 | V200 L204 S211 L213 Y241 V285 E286 | V200-F202 HydrophobicContact CG1-CB 4.26Å; V200-F202 PolarHBondContact O-N 2.95Å; F202-L204 HydrophobicContact CD1-CD2 4.41Å; F202-L204 HydrophobicContact CD1-CG 4.38Å; F202-L204 HydrophobicContact CE1-CD2 3.79Å; F202-L204 HydrophobicContact CE1-CG 4.18Å; F202-S211 PolarHBondContact N-O 2.95Å; F202-S211 PolarHBondContact O-N 3.19Å; F202-L213 HydrophobicContact CB-CD1 3.66Å; F202-L213 HydrophobicContact CB-CG 4.13Å; F202-L213 HydrophobicContact CD1-CD1 4.06Å; F202-L213 HydrophobicContact CG-CD1 4.08Å; F202-Y241 HydrophobicContact CD1-CE2 4.46Å; F202-V285 HydrophobicContact CB-CG1 4.44Å; F202-V285 HydrophobicContact CD1-CG1 4.17Å; F202-V285 HydrophobicContact CD2-CB 4.28Å; F202-V285 HydrophobicContact CD2-CG1 3.98Å; F202-V285 HydrophobicContact CE1-CG1 4.47Å; F202-V285 HydrophobicContact CE2-CB 4.27Å; F202-V285 HydrophobicContact CE2-CG1 4.3Å; F202-V285 HydrophobicContact CG-CG1 3.92Å; F202-E286 HydrophobicContact CE1-CB 4.12Å; F202-E286 HydrophobicContact CZ-CB 3.87Å |
| 203 | K | 85.7 | Confident | 87.9 | Confident | 119 Ų | 119 | 40.1 Ų | 40.1 | 52% | 0.517 | 21% | 0.211 | S | C | . | . | trans | -95.3 | 113.6 | 177.2 | -172.9 | 171.6 | 174.2 | 163.2 | 0 | 110.4 | N207 P208 P210 | K203-N207 WeakPolarHBondContact CE-O 3Å; K203-P208 WeakPolarHBondContact CE-O 2.87Å; K203-P208 PolarHBondContact NZ-O 2.97Å; K203-P210 HydrophobicContact CB-CB 4.08Å | ||
| 204 | L | 81.8 | Confident | 88.1 | Confident | 27 Ų | 27 | 34.2 Ų | 34.2 | 14% | 0.141 | 18% | 0.183 | C | C | . | . | trans | -69.8 | 142.4 | 167.5 | -73.1 | 166.5 | 0 | 0 | 0 | 109.6 | F202 V206 N207 Y241 E286 | F202-L204 HydrophobicContact CD1-CD2 4.41Å; F202-L204 HydrophobicContact CD1-CG 4.38Å; F202-L204 HydrophobicContact CE1-CD2 3.79Å; F202-L204 HydrophobicContact CE1-CG 4.18Å; L204-V206 PolarHBondContact O-N 3.12Å; L204-V206 VanDerWaalsContact O-N 3.09Å; L204-N207 HydrophobicContact CB-CB 4.09Å; L204-N207 PolarHBondContact O-N 2.97Å; L204-Y241 HydrophobicContact CD1-CD2 3.99Å; L204-Y241 HydrophobicContact CD2-CD2 4.32Å; L204-Y241 HydrophobicContact CD2-CE2 4.33Å; L204-Y241 HydrophobicContact CG-CD2 4.35Å; L204-E286 HydrophobicContact CD2-CG 4.26Å | ||
| 205 | D | 74.7 | Confident | 88.3 | Confident | 99 Ų | 99 | 34.2 Ų | 34.2 | 53% | 0.529 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -29.5 | -179.8 | -81 | -4.6 | 0 | 0 | 0 | 113.5 | ||
| 206 | V | 75.9 | Confident | 88.5 | Confident | 102 Ų | 102 | 35.1 Ų | 35.1 | 62% | 0.618 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -20 | 179.6 | -169.2 | 0 | 0 | 0 | 0 | 112.2 | L204 | L204-V206 PolarHBondContact O-N 3.12Å; L204-V206 VanDerWaalsContact O-N 3.09Å |
| 207 | N | 82.4 | Confident | 88.5 | Confident | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.027 | 19% | 0.186 | C | C | . | . | trans | -96.1 | 133.5 | -173.2 | -74.6 | -3.4 | 0 | 0 | 0 | 111.5 | K203 L204 N238 Q239 | K203-N207 WeakPolarHBondContact CE-O 3Å; L204-N207 HydrophobicContact CB-CB 4.09Å; L204-N207 PolarHBondContact O-N 2.97Å; N207-N238 HydrophobicContact CB-CB 4.26Å; N207-Q239 PolarHBondContact ND2-O 3.02Å; N207-Q239 PolarHBondContact OD1-N 3.33Å | ||
| 208 | P | 79.8 | Confident | 88.4 | Confident | 60 Ų | 60 | 35.5 Ų | 35.5 | 39% | 0.39 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -68.4 | -40.9 | 175 | 25.1 | -33.1 | 0 | 0 | 0 | 112.5 | K203 K237 N238 | K203-P208 WeakPolarHBondContact CE-O 2.87Å; K203-P208 PolarHBondContact NZ-O 2.97Å; P208-K237 HydrophobicContact CG-CB 3.72Å; P208-N238 VanDerWaalsContact CD-OD1 3.24Å; P208-N238 WeakPolarHBondContact CD-OD1 3.39Å |
| 209 | E | 83.4 | Confident | 88.1 | Confident | 113 Ų | 113 | 37.4 Ų | 37.4 | 53% | 0.528 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -103 | 152.2 | -178.6 | -66.4 | -62.9 | 148.2 | 0 | 0 | 110.7 | A235 N238 | E209-A235 HydrophobicContact CB-CB 4.08Å; E209-A235 HydrophobicContact CG-CB 4.35Å; E209-N238 PolarHBondContact N-OD1 3.36Å; E209-N238 PolarHBondContact O-ND2 2.64Å; E209-N238 PolarHBondContact O-OD1 3.41Å |
| 210 | P | 87.3 | Confident | 87.6 | Confident | 49 Ų | 49 | 38.8 Ų | 38.8 | 32% | 0.318 | 21% | 0.205 | S | C | . | . | P | Polyproline II helix | trans | -76.2 | 151.5 | 175.4 | 36.3 | -37.7 | 0 | 0 | 0 | 111.7 | N201 K203 | N201-P210 WeakPolarHBondContact OD1-CB 3.11Å; N201-P210 WeakPolarHBondContact OD1-CG 3.28Å; K203-P210 HydrophobicContact CB-CB 4.08Å |
| 211 | S | 89.1 | Confident | 86.8 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 137.9 | 176.7 | -74.8 | 0 | 0 | 0 | 0 | 110.6 | F202 L213 E230 | F202-S211 PolarHBondContact N-O 2.95Å; F202-S211 PolarHBondContact O-N 3.19Å; S211-L213 PolarHBondContact O-N 3.22Å; S211-E230 WeakPolarHBondContact CB-OE1 3.43Å; S211-E230 PolarHBondContact OG-OE1 2.81Å |
| 212 | T | 92.1 | Very high | 86.3 | Confident | 27 Ų | 27 | 47.8 Ų | 47.8 | 17% | 0.166 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 110.4 | 173 | -55 | 0 | 0 | 0 | 0 | 109.5 | D157 E230 V231 | D157-T212 HydrophobicContact CB-CG2 4.03Å; T212-E230 WeakPolarHBondContact O-CA 3.31Å; T212-V231 HydrophobicContact CG2-CG2 3.78Å; T212-V231 WeakPolarHBondContact O-CG2 3.24Å; T212-V231 PolarHBondContact O-N 3.38Å |
| 213 | L | 93.8 | Very high | 86 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 133.9 | 178.5 | -52.4 | -176.2 | 0 | 0 | 0 | 110.6 | F199 V200 F202 S211 I228 I229 E230 Y241 V285 | F199-L213 CarbonylContact C-O 3.48Å; F199-L213 VanDerWaalsContact CA-O 3.31Å; F199-L213 WeakPolarHBondContact CA-O 3.49Å; V200-L213 HydrophobicContact CB-CB 4.4Å; V200-L213 PolarHBondContact N-O 3.29Å; V200-L213 PolarHBondContact O-N 3.04Å; F202-L213 HydrophobicContact CB-CD1 3.66Å; F202-L213 HydrophobicContact CB-CG 4.13Å; F202-L213 HydrophobicContact CD1-CD1 4.06Å; F202-L213 HydrophobicContact CG-CD1 4.08Å; S211-L213 PolarHBondContact O-N 3.22Å; L213-I228 HydrophobicContact CB-CG2 4.48Å; L213-I228 HydrophobicContact CD1-CG2 4.09Å; L213-I229 CarbonylContact C-O 3.56Å; L213-I229 VanDerWaalsContact CA-O 3.3Å; L213-I229 WeakPolarHBondContact CA-O 3.35Å; L213-E230 HydrophobicContact CD2-CB 3.74Å; L213-E230 HydrophobicContact CD2-CG 4.38Å; L213-Y241 HydrophobicContact CD1-CD2 4.03Å; L213-Y241 HydrophobicContact CD1-CE1 4.43Å; L213-Y241 HydrophobicContact CD1-CE2 3.85Å; L213-Y241 HydrophobicContact CD1-CG 4.43Å; L213-Y241 HydrophobicContact CD2-CD1 3.95Å; L213-Y241 HydrophobicContact CD2-CD2 3.91Å; L213-Y241 HydrophobicContact CD2-CE2 4.5Å; L213-Y241 HydrophobicContact CD2-CG 3.63Å; L213-V285 HydrophobicContact CD1-CG1 3.52Å |
| 214 | F | 95.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 115.9 | 166.1 | 174.5 | -136.2 | 0 | 0 | 0 | 109.2 | L164 M179 L181 F199 F216 I229 V231 | L164-F214 HydrophobicContact CD1-CE2 3.85Å; L164-F214 HydrophobicContact CD1-CZ 3.73Å; L164-F214 HydrophobicContact CD2-CD2 4.47Å; L164-F214 HydrophobicContact CD2-CE2 3.58Å; L164-F214 HydrophobicContact CD2-CZ 4.26Å; L164-F214 HydrophobicContact CG-CE2 4.31Å; M179-F214 HydrophobicContact CE-CZ 4.2Å; L181-F214 HydrophobicContact CD1-CD1 4.45Å; L181-F214 HydrophobicContact CD1-CE1 4.49Å; L181-F214 HydrophobicContact CD2-CD1 3.89Å; L181-F214 HydrophobicContact CD2-CE1 4.03Å; F199-F214 HydrophobicContact CD1-CB 4.05Å; F199-F214 HydrophobicContact CD1-CD2 4.15Å; F199-F214 HydrophobicContact CD1-CG 4.47Å; F199-F214 HydrophobicContact CE1-CB 3.95Å; F199-F214 AromaticContact CE1-CD2 3.83Å; F199-F214 HydrophobicContact CE1-CD2 3.83Å; F199-F214 HydrophobicContact CE1-CG 4.07Å; F199-F214 HydrophobicContact CZ-CD2 4.38Å; F214-F216 AromaticContact CD1-CD1 3.8Å; F214-F216 HydrophobicContact CD1-CD1 3.8Å; F214-F216 HydrophobicContact CD1-CE1 4.23Å; F214-F216 HydrophobicContact CE1-CB 4.29Å; F214-F216 AromaticContact CE1-CD1 3.34Å; F214-F216 HydrophobicContact CE1-CD1 3.34Å; F214-F216 AromaticContact CE1-CE1 3.85Å; F214-F216 HydrophobicContact CE1-CE1 3.85Å; F214-F216 AromaticContact CE1-CG 3.99Å; F214-F216 HydrophobicContact CE1-CG 3.99Å; F214-F216 HydrophobicContact CE2-CB 3.9Å; F214-F216 HydrophobicContact CE2-CD1 4.32Å; F214-F216 HydrophobicContact CE2-CG 4.49Å; F214-F216 HydrophobicContact CG-CD1 4.46Å; F214-F216 HydrophobicContact CZ-CB 3.66Å; F214-F216 AromaticContact CZ-CD1 3.65Å; F214-F216 HydrophobicContact CZ-CD1 3.65Å; F214-F216 AromaticContact CZ-CG 3.84Å; F214-F216 HydrophobicContact CZ-CG 3.84Å; F214-I229 HydrophobicContact CB-CG1 4.14Å; F214-I229 HydrophobicContact CD1-CD1 3.91Å; F214-I229 HydrophobicContact CD1-CG1 4.13Å; F214-I229 PolarHBondContact N-O 3.04Å; F214-I229 WeakPolarHBondContact O-CG1 3.43Å; F214-I229 PolarHBondContact O-N 3.09Å; F214-V231 HydrophobicContact CB-CG1 3.54Å; F214-V231 HydrophobicContact CB-CG2 4.3Å; F214-V231 HydrophobicContact CD1-CG1 4.5Å; F214-V231 HydrophobicContact CG-CG1 4.45Å |
| 215 | C | 95.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 127.6 | 177.1 | -57.6 | 0 | 0 | 0 | 0 | 108.6 | G197 C198 H227 M262 I271 | G197-C215 CarbonylContact C-O 3.34Å; G197-C215 WeakPolarHBondContact CA-O 3.44Å; C198-C215 PolarHBondContact N-O 3.25Å; C198-C215 PolarHBondContact O-N 3.44Å; C215-H227 CarbonylContact C-O 3.51Å; C215-H227 VanDerWaalsContact CA-O 3.27Å; C215-H227 WeakPolarHBondContact CA-O 3.27Å; C215-M262 HydrophobicContact CB-SD 3.71Å; C215-I271 HydrophobicContact CB-CD1 4.05Å |
| 216 | F | 95.6 | Very high | 87.6 | Confident | 23 Ų | 23 | 41.8 Ų | 41.8 | 10% | 0.101 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 154.4 | 175.7 | 71.8 | -84.1 | 0 | 0 | 0 | 112 | M179 V192 A196 F214 H227 I229 | M179-F216 HydrophobicContact CE-CB 3.77Å; M179-F216 HydrophobicContact CE-CD2 3.64Å; M179-F216 HydrophobicContact CE-CE2 4.46Å; M179-F216 HydrophobicContact CE-CG 3.87Å; M179-F216 HydrophobicContact SD-CB 4.39Å; V192-F216 HydrophobicContact CG1-CD2 4.05Å; V192-F216 HydrophobicContact CG1-CE1 4.44Å; V192-F216 HydrophobicContact CG1-CE2 3.64Å; V192-F216 HydrophobicContact CG1-CZ 3.85Å; A196-F216 CarbonylContact O-C 3.58Å; A196-F216 VanDerWaalsContact O-CA 3.3Å; A196-F216 WeakPolarHBondContact O-CA 3.21Å; F214-F216 AromaticContact CD1-CD1 3.8Å; F214-F216 HydrophobicContact CD1-CD1 3.8Å; F214-F216 HydrophobicContact CD1-CE1 4.23Å; F214-F216 HydrophobicContact CE1-CB 4.29Å; F214-F216 AromaticContact CE1-CD1 3.34Å; F214-F216 HydrophobicContact CE1-CD1 3.34Å; F214-F216 AromaticContact CE1-CE1 3.85Å; F214-F216 HydrophobicContact CE1-CE1 3.85Å; F214-F216 AromaticContact CE1-CG 3.99Å; F214-F216 HydrophobicContact CE1-CG 3.99Å; F214-F216 HydrophobicContact CE2-CB 3.9Å; F214-F216 HydrophobicContact CE2-CD1 4.32Å; F214-F216 HydrophobicContact CE2-CG 4.49Å; F214-F216 HydrophobicContact CG-CD1 4.46Å; F214-F216 HydrophobicContact CZ-CB 3.66Å; F214-F216 AromaticContact CZ-CD1 3.65Å; F214-F216 HydrophobicContact CZ-CD1 3.65Å; F214-F216 AromaticContact CZ-CG 3.84Å; F214-F216 HydrophobicContact CZ-CG 3.84Å; F216-H227 HydrophobicContact CD1-CB 3.8Å; F216-H227 HydrophobicContact CD2-CB 4.41Å; F216-H227 HydrophobicContact CE1-CB 3.4Å; F216-H227 VanDerWaalsContact CE1-CB 3.4Å; F216-H227 HydrophobicContact CE2-CB 4.08Å; F216-H227 AromaticContact CE2-CD2 3.5Å; F216-H227 HydrophobicContact CG-CB 4.3Å; F216-H227 HydrophobicContact CZ-CB 3.56Å; F216-H227 AromaticContact CZ-CD2 3.55Å; F216-H227 AromaticContact CZ-CG 3.69Å; F216-H227 PolarHBondContact N-O 3.47Å; F216-H227 PolarHBondContact O-N 3.15Å; F216-I229 HydrophobicContact CE1-CD1 4.21Å |
| 217 | T | 94.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 147.4 | 176.8 | -173.6 | 0 | 0 | 0 | 0 | 111.8 | G194 H195 A196 K225 P259 M262 L273 | G194-T217 CarbonylContact C-O 3.59Å; G194-T217 VanDerWaalsContact CA-O 3.3Å; G194-T217 WeakPolarHBondContact CA-O 3.35Å; H195-T217 PolarHBondContact N-O 3.05Å; A196-T217 HydrophobicContact CB-CG2 4.15Å; A196-T217 PolarHBondContact O-N 3.27Å; T217-K225 CarbonylContact C-O 3.6Å; T217-K225 WeakPolarHBondContact CA-O 3.33Å; T217-K225 WeakPolarHBondContact CB-O 3.35Å; T217-K225 PolarHBondContact OG1-O 3.32Å; T217-P259 HydrophobicContact CG2-CB 3.3Å; T217-P259 HydrophobicContact CG2-CG 3.4Å; T217-P259 VanDerWaalsContact CG2-CG 3.4Å; T217-M262 HydrophobicContact CG2-CE 3.71Å; T217-L273 HydrophobicContact CG2-CD1 3.71Å; T217-L273 HydrophobicContact CG2-CD2 4.21Å |
| 218 | V | 91 | Very high | 89.2 | Confident | 12 Ų | 12 | 38.1 Ų | 38.1 | 7% | 0.073 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 139.4 | 177.9 | 62.8 | 0 | 0 | 0 | 0 | 108.9 | E193 N220 G224 K225 | E193-V218 HydrophobicContact CB-CG2 4.25Å; V218-N220 WeakPolarHBondContact CG2-OD1 3.48Å; V218-G224 CarbonylContact O-C 3.48Å; V218-G224 WeakPolarHBondContact O-CA 3.3Å; V218-K225 HydrophobicContact CG1-CB 4.46Å; V218-K225 PolarHBondContact N-O 3.12Å; V218-K225 PolarHBondContact O-N 3.04Å |
| 219 | K | 87.5 | Confident | 89.8 | Confident | 43 Ų | 43 | 37.1 Ų | 37.1 | 19% | 0.187 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 108 | 167.9 | -173.1 | 176.8 | 175.4 | 170.8 | 0 | 110.8 | H195 F250 N255 D257 F258 | H195-K219 PolarHBondContact CE1-N 3.43Å; H195-K219 VanDerWaalsContact CE1-N 3.28Å; H195-K219 PolarHBondContact CE1-O 2.97Å; H195-K219 VanDerWaalsContact CE1-O 3.28Å; H195-K219 PolarHBondContact ND1-N 3.46Å; K219-F250 HydrophobicContact CD-CE1 4.32Å; K219-F250 HydrophobicContact CD-CE2 4.24Å; K219-F250 HydrophobicContact CD-CZ 4.14Å; K219-N255 PolarHBondContact NZ-O 3.03Å; K219-D257 WeakPolarHBondContact CD-O 3.33Å; K219-D257 VanDerWaalsContact CE-O 3.27Å; K219-D257 WeakPolarHBondContact CE-O 3.47Å; K219-D257 PolarHBondContact NZ-O 3.35Å; K219-F258 HydrophobicContact CD-CB 4.21Å |
| 220 | N | 83.9 | Confident | 90.2 | Very high | 61 Ų | 61 | 33.5 Ų | 33.5 | 33% | 0.326 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 170.2 | 175.6 | -74.7 | -9.8 | 0 | 0 | 0 | 110.6 | V218 T222 G223 | V218-N220 WeakPolarHBondContact CG2-OD1 3.48Å; N220-T222 PolarHBondContact O-N 3.23Å; N220-T222 VanDerWaalsContact O-N 3.11Å; N220-G223 PolarHBondContact N-O 3.42Å; N220-G223 PolarHBondContact O-N 3.44Å |
| 221 | P | 76 | Confident | 90.4 | Very high | 109 Ų | 109 | 32 Ų | 32 | 71% | 0.708 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -26.6 | 176.7 | -26.9 | 36.2 | 0 | 0 | 0 | 114.1 | R174 | R174-P221 VanDerWaalsContact NH1-CG 3.27Š|
| 222 | T | 78.9 | Confident | 90.2 | Very high | 139 Ų | 139 | 33.2 Ų | 33.2 | 85% | 0.853 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | -12.3 | 179.5 | 50.2 | 0 | 0 | 0 | 0 | 114 | N220 | N220-T222 PolarHBondContact O-N 3.23Å; N220-T222 VanDerWaalsContact O-N 3.11Å |
| 223 | G | 82.7 | Confident | 89.8 | Confident | 35 Ų | 35 | 38.2 Ų | 38.2 | 36% | 0.361 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 138.4 | 177.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N220 | N220-G223 PolarHBondContact N-O 3.42Å; N220-G223 PolarHBondContact O-N 3.44Å |
| 224 | G | 88.2 | Confident | 89.1 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 146 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V218 V248 | V218-G224 CarbonylContact O-C 3.48Å; V218-G224 WeakPolarHBondContact O-CA 3.3Å; G224-V248 PolarHBondContact O-N 3.39Å |
| 225 | K | 93 | Very high | 88.4 | Confident | 92 Ų | 92 | 42.2 Ų | 42.2 | 40% | 0.4 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 144.3 | 178.1 | -66.1 | -166.4 | 175.8 | -165.5 | 0 | 111.3 | T217 V218 I246 D247 | T217-K225 CarbonylContact C-O 3.6Å; T217-K225 WeakPolarHBondContact CA-O 3.33Å; T217-K225 WeakPolarHBondContact CB-O 3.35Å; T217-K225 PolarHBondContact OG1-O 3.32Å; V218-K225 HydrophobicContact CG1-CB 4.46Å; V218-K225 PolarHBondContact N-O 3.12Å; V218-K225 PolarHBondContact O-N 3.04Å; K225-I246 CarbonylContact C-O 3.55Å; K225-I246 VanDerWaalsContact CA-O 3.28Å; K225-I246 WeakPolarHBondContact CA-O 3.39Å; K225-D247 VanDerWaalsContact CE-OD1 3.26Å; K225-D247 WeakPolarHBondContact CE-OD1 3.27Å |
| 226 | L | 94.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 122.3 | 168.9 | 172.9 | 64.9 | 0 | 0 | 0 | 108.3 | I228 A245 I246 V248 M262 I271 Y283 | L226-I228 HydrophobicContact CG-CG1 4.4Å; L226-A245 CarbonylContact O-C 3.41Å; L226-A245 WeakPolarHBondContact O-CA 3.43Å; L226-I246 HydrophobicContact CB-CB 4.38Å; L226-I246 HydrophobicContact CD2-CD1 4.15Å; L226-I246 HydrophobicContact CG-CD1 4.33Å; L226-I246 PolarHBondContact N-O 3.42Å; L226-I246 PolarHBondContact O-N 3.16Å; L226-V248 HydrophobicContact CB-CG2 3.74Å; L226-M262 HydrophobicContact CD1-CE 3.39Å; L226-M262 HydrophobicContact CD1-SD 4.26Å; L226-I271 HydrophobicContact CD2-CD1 4.25Å; L226-Y283 HydrophobicContact CD2-CD1 3.98Å; L226-Y283 HydrophobicContact CD2-CD2 3.64Å; L226-Y283 HydrophobicContact CD2-CE1 4.4Å; L226-Y283 HydrophobicContact CD2-CE2 4.09Å; L226-Y283 HydrophobicContact CD2-CG 3.59Å |
| 227 | H | 95.4 | Very high | 87 | Confident | 30 Ų | 30 | 56.4 Ų | 56.4 | 14% | 0.139 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 134.6 | 176.2 | -69.9 | -66.7 | 0 | 0 | 0 | 110.3 | C215 F216 K244 | C215-H227 CarbonylContact C-O 3.51Å; C215-H227 VanDerWaalsContact CA-O 3.27Å; C215-H227 WeakPolarHBondContact CA-O 3.27Å; F216-H227 HydrophobicContact CD1-CB 3.8Å; F216-H227 HydrophobicContact CD2-CB 4.41Å; F216-H227 HydrophobicContact CE1-CB 3.4Å; F216-H227 VanDerWaalsContact CE1-CB 3.4Å; F216-H227 HydrophobicContact CE2-CB 4.08Å; F216-H227 AromaticContact CE2-CD2 3.5Å; F216-H227 HydrophobicContact CG-CB 4.3Å; F216-H227 HydrophobicContact CZ-CB 3.56Å; F216-H227 AromaticContact CZ-CD2 3.55Å; F216-H227 AromaticContact CZ-CG 3.69Å; F216-H227 PolarHBondContact N-O 3.47Å; F216-H227 PolarHBondContact O-N 3.15Å; H227-K244 WeakPolarHBondContact CA-O 3.49Å |
| 228 | I | 95.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 114.6 | 173.9 | -52.7 | 174 | 0 | 0 | 0 | 106.6 | L213 L226 Y241 K243 K244 I246 I271 V285 | L213-I228 HydrophobicContact CB-CG2 4.48Å; L213-I228 HydrophobicContact CD1-CG2 4.09Å; L226-I228 HydrophobicContact CG-CG1 4.4Å; I228-Y241 HydrophobicContact CB-CE1 4.38Å; I228-Y241 HydrophobicContact CG2-CE1 3.69Å; I228-K243 WeakPolarHBondContact O-CA 3.34Å; I228-K244 HydrophobicContact CB-CB 4.2Å; I228-K244 PolarHBondContact N-O 2.94Å; I228-K244 PolarHBondContact O-N 2.91Å; I228-I246 HydrophobicContact CD1-CD1 3.97Å; I228-I246 HydrophobicContact CG1-CD1 4.49Å; I228-I271 HydrophobicContact CD1-CD1 3.68Å; I228-I271 HydrophobicContact CG1-CD1 4.04Å; I228-V285 WeakPolarHBondContact CD1-O 3.3Å; I228-V285 HydrophobicContact CG2-CG1 4.44Å |
| 229 | I | 93.6 | Very high | 86.4 | Confident | 39 Ų | 39 | 62.3 Ų | 62.3 | 20% | 0.2 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 141.6 | -176.8 | 50.5 | 169.1 | 0 | 0 | 0 | 110.9 | L213 F214 F216 K243 | L213-I229 CarbonylContact C-O 3.56Å; L213-I229 VanDerWaalsContact CA-O 3.3Å; L213-I229 WeakPolarHBondContact CA-O 3.35Å; F214-I229 HydrophobicContact CB-CG1 4.14Å; F214-I229 HydrophobicContact CD1-CD1 3.91Å; F214-I229 HydrophobicContact CD1-CG1 4.13Å; F214-I229 PolarHBondContact N-O 3.04Å; F214-I229 WeakPolarHBondContact O-CG1 3.43Å; F214-I229 PolarHBondContact O-N 3.09Å; F216-I229 HydrophobicContact CE1-CD1 4.21Å; I229-K243 HydrophobicContact CG2-CB 3.98Å; I229-K243 HydrophobicContact CG2-CD 3.52Å; I229-K243 HydrophobicContact CG2-CG 3.47Å; I229-K243 VanDerWaalsContact CG2-CG 3.47Å |
| 230 | E | 92.6 | Very high | 86.3 | Confident | 38 Ų | 38 | 64.6 Ų | 64.6 | 18% | 0.178 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 136.4 | 167.3 | 178.3 | 170.9 | -144.7 | 0 | 0 | 110 | S211 T212 L213 P240 Y241 | S211-E230 WeakPolarHBondContact CB-OE1 3.43Å; S211-E230 PolarHBondContact OG-OE1 2.81Å; T212-E230 WeakPolarHBondContact O-CA 3.31Å; L213-E230 HydrophobicContact CD2-CB 3.74Å; L213-E230 HydrophobicContact CD2-CG 4.38Å; E230-P240 WeakPolarHBondContact OE2-CA 3.17Å; E230-Y241 WeakPolarHBondContact OE2-CB 3.13Å; E230-Y241 PolarHBondContact OE2-N 3.4Å |
| 231 | V | 90.7 | Very high | 86.6 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 10% | 0.097 | 36% | 0.362 | C | S | . | . | trans | -115.2 | 138.2 | 179.7 | -69.1 | 0 | 0 | 0 | 0 | 110.2 | W162 L181 T212 F214 | W162-V231 HydrophobicContact CD2-CB 4.07Å; W162-V231 HydrophobicContact CD2-CG2 4.09Å; W162-V231 HydrophobicContact CG-CG2 4.01Å; W162-V231 HydrophobicContact CH2-CB 4.41Å; W162-V231 HydrophobicContact CZ2-CB 3.98Å; L181-V231 HydrophobicContact CD2-CG1 4.47Å; T212-V231 HydrophobicContact CG2-CG2 3.78Å; T212-V231 WeakPolarHBondContact O-CG2 3.24Å; T212-V231 PolarHBondContact O-N 3.38Å; F214-V231 HydrophobicContact CB-CG1 3.54Å; F214-V231 HydrophobicContact CB-CG2 4.3Å; F214-V231 HydrophobicContact CD1-CG1 4.5Å; F214-V231 HydrophobicContact CG-CG1 4.45Å | ||
| 232 | G | 85.1 | Confident | 87.2 | Confident | 29 Ų | 29 | 61.6 Ų | 61.6 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 89 | -174.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113 | W162 | W162-G232 VanDerWaalsContact CZ2-N 3.34Š|
| 233 | N | 82.7 | Confident | 87.8 | Confident | 133 Ų | 133 | 62 Ų | 62 | 71% | 0.711 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -85.8 | 131 | 174.6 | -66.7 | -13.7 | 0 | 0 | 0 | 108.7 | R186 | R186-N233 PolarHBondContact NH2-OD1 3.21Å; R186-N233 VanDerWaalsContact NH2-OD1 3.13Å |
| 234 | P | 80.3 | Confident | 88.3 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 33% | 0.331 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 147.1 | 175.2 | 24 | -31.3 | 0 | 0 | 0 | 110.2 | P240 | P234-P240 HydrophobicContact CG-CB 4.44Å; P234-P240 HydrophobicContact CG-CG 4.18Å |
| 235 | A | 80.2 | Confident | 88.5 | Confident | 33 Ų | 33 | 66.3 Ų | 66.3 | 27% | 0.273 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 148.8 | 177 | 0 | 0 | 0 | 0 | 0 | 110.6 | E209 K237 N238 | E209-A235 HydrophobicContact CB-CB 4.08Å; E209-A235 HydrophobicContact CG-CB 4.35Å; A235-K237 PolarHBondContact O-N 3.16Å; A235-N238 HydrophobicContact CB-CB 4.23Å; A235-N238 WeakPolarHBondContact O-CB 3.31Å; A235-N238 PolarHBondContact O-N 3.46Å |
| 236 | P | 79.2 | Confident | 88.5 | Confident | 142 Ų | 142 | 63.5 Ų | 63.5 | 92% | 0.922 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.4 | -168.9 | -26.1 | 33 | 0 | 0 | 0 | 115.8 | ||
| 237 | K | 82.2 | Confident | 88.3 | Confident | 179 Ų | 179 | 69 Ų | 69 | 78% | 0.778 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 1.5 | 179.4 | -64.3 | -177.4 | -179.9 | 177.5 | 0 | 113.7 | P208 A235 | P208-K237 HydrophobicContact CG-CB 3.72Å; A235-K237 PolarHBondContact O-N 3.16Å |
| 238 | N | 86.8 | Confident | 88 | Confident | 16 Ų | 16 | 68 Ų | 68 | 9% | 0.086 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -92.5 | 139.1 | -179.1 | -78.3 | 13.5 | 0 | 0 | 0 | 111 | N207 P208 E209 A235 | N207-N238 HydrophobicContact CB-CB 4.26Å; P208-N238 VanDerWaalsContact CD-OD1 3.24Å; P208-N238 WeakPolarHBondContact CD-OD1 3.39Å; E209-N238 PolarHBondContact N-OD1 3.36Å; E209-N238 PolarHBondContact O-ND2 2.64Å; E209-N238 PolarHBondContact O-OD1 3.41Å; A235-N238 HydrophobicContact CB-CB 4.23Å; A235-N238 WeakPolarHBondContact O-CB 3.31Å; A235-N238 PolarHBondContact O-N 3.46Å |
| 239 | Q | 84.8 | Confident | 87.6 | Confident | 121 Ų | 121 | 74.2 Ų | 74.2 | 57% | 0.565 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 133.8 | 162.1 | -64.3 | -176.7 | 4.2 | 0 | 0 | 109.3 | N207 | N207-Q239 PolarHBondContact ND2-O 3.02Å; N207-Q239 PolarHBondContact OD1-N 3.33Å |
| 240 | P | 86.2 | Confident | 87.3 | Confident | 90 Ų | 90 | 73.7 Ų | 73.7 | 58% | 0.584 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 141.9 | 179 | -19.9 | 29.9 | 0 | 0 | 0 | 112.5 | E230 P234 S242 | E230-P240 WeakPolarHBondContact OE2-CA 3.17Å; P234-P240 HydrophobicContact CG-CB 4.44Å; P234-P240 HydrophobicContact CG-CG 4.18Å; P240-S242 PolarHBondContact O-N 3.28Å |
| 241 | Y | 90.1 | Very high | 86.8 | Confident | 20 Ų | 20 | 73.1 Ų | 73.1 | 8% | 0.078 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 128.4 | 176.6 | -170.5 | -90.2 | 0 | 0 | 0 | 111.4 | F202 L204 L213 I228 E230 K243 K244 V285 E286 | F202-Y241 HydrophobicContact CD1-CE2 4.46Å; L204-Y241 HydrophobicContact CD1-CD2 3.99Å; L204-Y241 HydrophobicContact CD2-CD2 4.32Å; L204-Y241 HydrophobicContact CD2-CE2 4.33Å; L204-Y241 HydrophobicContact CG-CD2 4.35Å; L213-Y241 HydrophobicContact CD1-CD2 4.03Å; L213-Y241 HydrophobicContact CD1-CE1 4.43Å; L213-Y241 HydrophobicContact CD1-CE2 3.85Å; L213-Y241 HydrophobicContact CD1-CG 4.43Å; L213-Y241 HydrophobicContact CD2-CD1 3.95Å; L213-Y241 HydrophobicContact CD2-CD2 3.91Å; L213-Y241 HydrophobicContact CD2-CE2 4.5Å; L213-Y241 HydrophobicContact CD2-CG 3.63Å; I228-Y241 HydrophobicContact CB-CE1 4.38Å; I228-Y241 HydrophobicContact CG2-CE1 3.69Å; E230-Y241 WeakPolarHBondContact OE2-CB 3.13Å; E230-Y241 PolarHBondContact OE2-N 3.4Å; Y241-K243 PolarHBondContact O-N 2.94Å; Y241-K244 HydrophobicContact CE1-CG 4.29Å; Y241-V285 PolarHBondContact OH-O 3.44Å; Y241-E286 PolarHBondContact OH-O 3.27Å |
| 242 | S | 88.8 | Confident | 86.3 | Confident | 87 Ų | 87 | 78 Ų | 78 | 61% | 0.608 | 43% | 0.433 | S | S | * | . | trans | -74.8 | 112.9 | 177.5 | -67.5 | 0 | 0 | 0 | 0 | 111.3 | P240 K244 | P240-S242 PolarHBondContact O-N 3.28Å; S242-K244 PolarHBondContact O-N 3.27Å | ||
| 243 | K | 90.9 | Very high | 86.1 | Confident | 148 Ų | 148 | 84.9 Ų | 84.9 | 64% | 0.643 | 46% | 0.458 | S | S | * | . | trans | -47.4 | 131.1 | 177.4 | 170.3 | 168.9 | -173.7 | -178.3 | 0 | 112.1 | I228 I229 Y241 | I228-K243 WeakPolarHBondContact O-CA 3.34Å; I229-K243 HydrophobicContact CG2-CB 3.98Å; I229-K243 HydrophobicContact CG2-CD 3.52Å; I229-K243 HydrophobicContact CG2-CG 3.47Å; I229-K243 VanDerWaalsContact CG2-CG 3.47Å; Y241-K243 PolarHBondContact O-N 2.94Å | ||
| 244 | K | 93.2 | Very high | 85.9 | Confident | 68 Ų | 68 | 78.6 Ų | 78.6 | 30% | 0.296 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 143 | 174.5 | -53.7 | -65.3 | -177.2 | 168 | 0 | 111.1 | H227 I228 Y241 S242 I246 E286 | H227-K244 WeakPolarHBondContact CA-O 3.49Å; I228-K244 HydrophobicContact CB-CB 4.2Å; I228-K244 PolarHBondContact N-O 2.94Å; I228-K244 PolarHBondContact O-N 2.91Å; Y241-K244 HydrophobicContact CE1-CG 4.29Å; S242-K244 PolarHBondContact O-N 3.27Å; K244-I246 HydrophobicContact CB-CD1 3.97Å; K244-I246 HydrophobicContact CB-CG1 4.39Å; K244-E286 WeakPolarHBondContact CE-O 3.33Å |
| 245 | A | 92.4 | Very high | 85.7 | Confident | 61 Ų | 61 | 81.8 Ų | 81.8 | 50% | 0.504 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 101.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | L226 | L226-A245 CarbonylContact O-C 3.41Å; L226-A245 WeakPolarHBondContact O-CA 3.43Å |
| 246 | I | 92.7 | Very high | 85.9 | Confident | 32 Ų | 32 | 85.7 Ų | 85.7 | 16% | 0.164 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 134.7 | -170.1 | -55.9 | 129.7 | 0 | 0 | 0 | 108.6 | K225 L226 I228 K244 V248 Y283 G288 | K225-I246 CarbonylContact C-O 3.55Å; K225-I246 VanDerWaalsContact CA-O 3.28Å; K225-I246 WeakPolarHBondContact CA-O 3.39Å; L226-I246 HydrophobicContact CB-CB 4.38Å; L226-I246 HydrophobicContact CD2-CD1 4.15Å; L226-I246 HydrophobicContact CG-CD1 4.33Å; L226-I246 PolarHBondContact N-O 3.42Å; L226-I246 PolarHBondContact O-N 3.16Å; I228-I246 HydrophobicContact CD1-CD1 3.97Å; I228-I246 HydrophobicContact CG1-CD1 4.49Å; K244-I246 HydrophobicContact CB-CD1 3.97Å; K244-I246 HydrophobicContact CB-CG1 4.39Å; I246-V248 PolarHBondContact O-N 2.97Å; I246-Y283 HydrophobicContact CG2-CD1 4.3Å; I246-Y283 HydrophobicContact CG2-CE1 3.91Å; I246-G288 WeakPolarHBondContact CD1-O 3.46Å; I246-G288 WeakPolarHBondContact CG1-O 3.28Å; I246-G288 WeakPolarHBondContact CG2-O 3.47Å |
| 247 | D | 90.8 | Very high | 86.3 | Confident | 117 Ų | 117 | 79 Ų | 79 | 63% | 0.626 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 128.3 | 174.9 | -66.4 | -35.5 | 0 | 0 | 0 | 110.4 | K225 | K225-D247 VanDerWaalsContact CE-OD1 3.26Å; K225-D247 WeakPolarHBondContact CE-OD1 3.27Å |
| 248 | V | 90.2 | Very high | 86.6 | Confident | 7 Ų | 7 | 71.5 Ų | 71.5 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 114.8 | 176.7 | -179.5 | 0 | 0 | 0 | 0 | 107.7 | G224 L226 I246 F250 L273 | G224-V248 PolarHBondContact O-N 3.39Å; L226-V248 HydrophobicContact CB-CG2 3.74Å; I246-V248 PolarHBondContact O-N 2.97Å; V248-F250 HydrophobicContact CB-CE2 3.88Å; V248-F250 HydrophobicContact CB-CZ 4.38Å; V248-F250 HydrophobicContact CG1-CD2 4.38Å; V248-F250 HydrophobicContact CG1-CE2 3.61Å; V248-F250 HydrophobicContact CG1-CZ 3.73Å; V248-F250 WeakPolarHBondContact O-CD2 3.47Å; V248-F250 WeakPolarHBondContact O-CE2 3.33Å; V248-L273 HydrophobicContact CG1-CD2 4.08Å; V248-L273 HydrophobicContact CG2-CD2 4.41Å |
| 249 | F | 86.6 | Confident | 86.8 | Confident | 132 Ų | 132 | 70.8 Ų | 70.8 | 58% | 0.579 | 38% | 0.375 | S | S | * | . | trans | -73.8 | 132.1 | 179.5 | 174.6 | -95.3 | 0 | 0 | 0 | 111.3 | P251 H281 M293 | F249-P251 HydrophobicContact CE1-CG 4.16Å; F249-H281 PolarHBondContact O-CE1 3.49Å; F249-H281 VanDerWaalsContact O-CE1 3.24Å; F249-M293 HydrophobicContact CB-CE 3.69Å; F249-M293 HydrophobicContact CD1-CE 3.83Å; F249-M293 HydrophobicContact CD1-SD 3.69Å; F249-M293 HydrophobicContact CE1-SD 4.47Å; F249-M293 HydrophobicContact CG-CE 4.24Å | ||
| 250 | F | 86.6 | Confident | 87 | Confident | 28 Ų | 28 | 66.5 Ų | 66.5 | 12% | 0.123 | 36% | 0.357 | C | S | . | . | trans | -122 | 127.5 | 172.2 | -65.6 | -91.7 | 0 | 0 | 0 | 108.4 | K219 V248 D257 P259 T275 | K219-F250 HydrophobicContact CD-CE1 4.32Å; K219-F250 HydrophobicContact CD-CE2 4.24Å; K219-F250 HydrophobicContact CD-CZ 4.14Å; V248-F250 HydrophobicContact CB-CE2 3.88Å; V248-F250 HydrophobicContact CB-CZ 4.38Å; V248-F250 HydrophobicContact CG1-CD2 4.38Å; V248-F250 HydrophobicContact CG1-CE2 3.61Å; V248-F250 HydrophobicContact CG1-CZ 3.73Å; V248-F250 WeakPolarHBondContact O-CD2 3.47Å; V248-F250 WeakPolarHBondContact O-CE2 3.33Å; F250-D257 HydrophobicContact CD1-CB 4.27Å; F250-P259 HydrophobicContact CZ-CG 4.09Å; F250-T275 HydrophobicContact CE1-CG2 4.05Å | ||
| 251 | P | 83 | Confident | 87.3 | Confident | 25 Ų | 25 | 62.4 Ų | 62.4 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | trans | -57.2 | 149.5 | 175.4 | -25 | 34.1 | 0 | 0 | 0 | 112.4 | F249 E253 A254 Y279 | F249-P251 HydrophobicContact CE1-CG 4.16Å; P251-E253 PolarHBondContact O-N 2.83Å; P251-A254 HydrophobicContact CB-CB 4.35Å; P251-A254 CarbonylContact O-C 3.48Å; P251-A254 WeakPolarHBondContact O-CA 3.24Å; P251-A254 WeakPolarHBondContact O-CB 3.47Å; P251-A254 PolarHBondContact O-N 3.25Å; P251-Y279 HydrophobicContact CG-CE1 3.98Å | ||
| 252 | T | 79.9 | Confident | 87.5 | Confident | 118 Ų | 118 | 61.7 Ų | 61.7 | 72% | 0.724 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -60.3 | -32.1 | -179.4 | 47.7 | 0 | 0 | 0 | 0 | 113.2 | A254 N255 | T252-A254 PolarHBondContact O-N 3.42Å; T252-N255 VanDerWaalsContact O-CG 3.26Å; T252-N255 PolarHBondContact O-ND2 3.07Å; T252-N255 PolarHBondContact O-OD1 2.56Å |
| 253 | E | 80.8 | Confident | 87.7 | Confident | 175 Ų | 175 | 58 Ų | 58 | 82% | 0.818 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -66.8 | -18.9 | 173.5 | -59.8 | 176.7 | -173.4 | 0 | 0 | 112.7 | P251 | P251-E253 PolarHBondContact O-N 2.83Š|
| 254 | A | 79.1 | Confident | 87.7 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -109.6 | 32.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P251 T252 N256 D257 Y277 Y279 | P251-A254 HydrophobicContact CB-CB 4.35Å; P251-A254 CarbonylContact O-C 3.48Å; P251-A254 WeakPolarHBondContact O-CA 3.24Å; P251-A254 WeakPolarHBondContact O-CB 3.47Å; P251-A254 PolarHBondContact O-N 3.25Å; T252-A254 PolarHBondContact O-N 3.42Å; A254-N256 PolarHBondContact O-N 2.91Å; A254-N256 VanDerWaalsContact O-N 3.13Å; A254-D257 HydrophobicContact CB-CB 3.86Å; A254-D257 WeakPolarHBondContact O-CB 3.5Å; A254-D257 PolarHBondContact O-N 3.39Å; A254-Y277 HydrophobicContact CB-CD2 3.78Å; A254-Y277 HydrophobicContact CB-CE2 4.23Å; A254-Y279 HydrophobicContact CB-CE2 4.35Å |
| 255 | N | 75.5 | Confident | 87.5 | Confident | 117 Ų | 117 | 48 Ų | 48 | 63% | 0.626 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -35.9 | -177.4 | -84.1 | -12.9 | 0 | 0 | 0 | 113.8 | K219 T252 | K219-N255 PolarHBondContact NZ-O 3.03Å; T252-N255 VanDerWaalsContact O-CG 3.26Å; T252-N255 PolarHBondContact O-ND2 3.07Å; T252-N255 PolarHBondContact O-OD1 2.56Å |
| 256 | N | 83.3 | Confident | 87 | Confident | 115 Ų | 115 | 51.5 Ų | 51.5 | 62% | 0.615 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 6.5 | 178.2 | -68.7 | -22.9 | 0 | 0 | 0 | 114.3 | A254 | A254-N256 PolarHBondContact O-N 2.91Å; A254-N256 VanDerWaalsContact O-N 3.13Å |
| 257 | D | 88.4 | Confident | 86.6 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | trans | -71.5 | 158.3 | 175.8 | -164.5 | 11.2 | 0 | 0 | 0 | 111 | K219 F250 A254 T275 K276 Y277 | K219-D257 WeakPolarHBondContact CD-O 3.33Å; K219-D257 VanDerWaalsContact CE-O 3.27Å; K219-D257 WeakPolarHBondContact CE-O 3.47Å; K219-D257 PolarHBondContact NZ-O 3.35Å; F250-D257 HydrophobicContact CD1-CB 4.27Å; A254-D257 HydrophobicContact CB-CB 3.86Å; A254-D257 WeakPolarHBondContact O-CB 3.5Å; A254-D257 PolarHBondContact O-N 3.39Å; D257-T275 VanDerWaalsContact CG-OG1 3.31Å; D257-T275 VanDerWaalsContact OD1-CB 3.31Å; D257-T275 WeakPolarHBondContact OD1-CB 3.22Å; D257-T275 PolarHBondContact OD1-OG1 3.2Å; D257-T275 WeakPolarHBondContact OD2-CB 3.33Å; D257-T275 PolarHBondContact OD2-OG1 3.24Å; D257-K276 WeakPolarHBondContact OD1-CA 3.43Å; D257-K276 WeakPolarHBondContact OD1-CB 3.45Å; D257-K276 PolarHBondContact OD1-N 3.26Å; D257-Y277 HydrophobicContact CB-CD1 4.44Å; D257-Y277 HydrophobicContact CB-CD2 3.75Å; D257-Y277 HydrophobicContact CB-CE2 4.14Å; D257-Y277 HydrophobicContact CB-CG 3.92Å; D257-Y277 PolarHBondContact OD1-N 3.42Å | ||
| 258 | F | 89.2 | Confident | 86.4 | Confident | 22 Ų | 22 | 50.1 Ų | 50.1 | 10% | 0.096 | 25% | 0.25 | C | S | . | . | trans | -158.4 | 160.7 | 174.1 | 59.8 | -92 | 0 | 0 | 0 | 110.3 | V175 H195 K219 V260 T275 K276 | V175-F258 HydrophobicContact CB-CD1 4.13Å; V175-F258 HydrophobicContact CB-CE1 3.67Å; V175-F258 HydrophobicContact CB-CE2 4.33Å; V175-F258 HydrophobicContact CB-CZ 3.8Å; V175-F258 HydrophobicContact CG1-CE1 4.24Å; V175-F258 HydrophobicContact CG1-CE2 4.06Å; V175-F258 HydrophobicContact CG1-CZ 3.84Å; V175-F258 HydrophobicContact CG2-CD1 4.39Å; V175-F258 HydrophobicContact CG2-CE1 3.56Å; V175-F258 HydrophobicContact CG2-CZ 3.79Å; H195-F258 AromaticContact CD2-CD2 3.82Å; K219-F258 HydrophobicContact CD-CB 4.21Å; F258-V260 HydrophobicContact CD2-CG2 4.32Å; F258-V260 HydrophobicContact CE2-CG2 3.96Å; F258-V260 PolarHBondContact O-N 3.39Å; F258-T275 CarbonylContact O-C 2.98Å; F258-T275 VanDerWaalsContact O-CA 3.3Å; F258-T275 WeakPolarHBondContact O-CA 3.39Å; F258-K276 HydrophobicContact CD1-CB 4.33Å; F258-K276 HydrophobicContact CD1-CD 3.96Å; F258-K276 HydrophobicContact CE1-CB 4.19Å; F258-K276 HydrophobicContact CE1-CD 3.23Å; F258-K276 HydrophobicContact CE1-CG 4.3Å; F258-K276 HydrophobicContact CZ-CB 4.28Å; F258-K276 HydrophobicContact CZ-CD 3.62Å; F258-K276 HydrophobicContact CZ-CG 4.43Å; F258-K276 PolarHBondContact O-N 3.47Å | ||
| 259 | P | 90.8 | Very high | 86.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 132.3 | 177.6 | -21 | 34.1 | 0 | 0 | 0 | 112.6 | H195 A196 T217 F250 L273 | H195-P259 HydrophobicContact CB-CB 4.23Å; H195-P259 WeakPolarHBondContact CB-O 3.2Å; A196-P259 HydrophobicContact CB-CB 4.32Å; T217-P259 HydrophobicContact CG2-CB 3.3Å; T217-P259 HydrophobicContact CG2-CG 3.4Å; T217-P259 VanDerWaalsContact CG2-CG 3.4Å; F250-P259 HydrophobicContact CZ-CG 4.09Å; P259-L273 HydrophobicContact CB-CD1 3.99Å; P259-L273 HydrophobicContact CB-CG 4.42Å; P259-L273 HydrophobicContact CG-CD2 4.49Å |
| 260 | V | 89.3 | Confident | 86.6 | Confident | 32 Ų | 32 | 43.8 Ų | 43.8 | 19% | 0.194 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | -39 | -179.8 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | F258 I274 K276 | F258-V260 HydrophobicContact CD2-CG2 4.32Å; F258-V260 HydrophobicContact CE2-CG2 3.96Å; F258-V260 PolarHBondContact O-N 3.39Å; V260-I274 PolarHBondContact N-O 3.32Å; V260-K276 HydrophobicContact CG2-CB 3.69Å |
| 261 | A | 91.5 | Very high | 87 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 3% | 0.033 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 142.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L273 I274 T304 | A261-L273 WeakPolarHBondContact O-CD1 3.29Å; A261-I274 HydrophobicContact CB-CB 4.47Å; A261-I274 PolarHBondContact N-O 3.15Å; A261-I274 PolarHBondContact O-N 3.39Å; A261-T304 HydrophobicContact CB-CG2 3.61Å; A261-T304 VanDerWaalsContact CB-OG1 3.25Å; A261-T304 WeakPolarHBondContact CB-OG1 3.48Å |
| 262 | M | 94.1 | Very high | 87.6 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 131.9 | 173.1 | -172.7 | -175.8 | -68.8 | 0 | 0 | 108.7 | A196 C215 T217 L226 I271 Y272 L273 | A196-M262 HydrophobicContact CB-CB 4.04Å; C215-M262 HydrophobicContact CB-SD 3.71Å; T217-M262 HydrophobicContact CG2-CE 3.71Å; L226-M262 HydrophobicContact CD1-CE 3.39Å; L226-M262 HydrophobicContact CD1-SD 4.26Å; M262-I271 HydrophobicContact CE-CG2 4.48Å; M262-I271 HydrophobicContact CG-CG2 3.61Å; M262-I271 HydrophobicContact SD-CG2 3.93Å; M262-Y272 WeakPolarHBondContact CA-O 2.79Å; M262-L273 HydrophobicContact CB-CD1 4.01Å; M262-L273 HydrophobicContact CE-CD1 3.77Å; M262-L273 HydrophobicContact CG-CD1 4.27Å |
| 263 | Q | 92.8 | Very high | 88.3 | Confident | 11 Ų | 11 | 35.6 Ų | 35.6 | 5% | 0.051 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 138.3 | 172.3 | -174 | 64 | 37.9 | 0 | 0 | 107.9 | R155 Y272 E306 I313 | R155-Q263 VanDerWaalsContact NH1-OE1 3.15Å; Q263-Y272 PolarHBondContact N-O 3.32Å; Q263-Y272 PolarHBondContact O-N 2.93Å; Q263-E306 HydrophobicContact CG-CB 4.22Å; Q263-E306 HydrophobicContact CG-CG 4.38Å; Q263-E306 PolarHBondContact NE2-OE2 2.83Å; Q263-E306 VanDerWaalsContact NE2-OE2 3.11Å; Q263-I313 HydrophobicContact CB-CB 4.4Å; Q263-I313 HydrophobicContact CB-CD1 3.83Å; Q263-I313 HydrophobicContact CB-CG1 4.2Å |
| 264 | A | 91.7 | Very high | 88.9 | Confident | 5 Ų | 5 | 27.4 Ų | 27.4 | 4% | 0.041 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 140.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | V200 K266 I270 I271 | V200-A264 HydrophobicContact CB-CB 4.27Å; V200-A264 HydrophobicContact CG1-CB 4.08Å; V200-A264 HydrophobicContact CG2-CB 3.23Å; A264-K266 PolarHBondContact O-N 3.29Å; A264-I270 CarbonylContact C-O 3.56Å; A264-I270 WeakPolarHBondContact CA-O 3.1Å; A264-I271 HydrophobicContact CB-CG1 4.1Å |
| 265 | S | 89.5 | Confident | 89.6 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | trans | -72.7 | 117 | 175.7 | -165.9 | 0 | 0 | 0 | 0 | 110.3 | K267 H268 G269 I270 G311 | S265-K267 PolarHBondContact O-N 3.48Å; S265-K267 PolarHBondContact OG-N 3.42Å; S265-H268 PolarHBondContact OG-N 3.14Å; S265-H268 VanDerWaalsContact OG-N 3.14Å; S265-H268 PolarHBondContact OG-ND1 3.5Å; S265-G269 WeakPolarHBondContact O-CA 3.42Å; S265-G269 PolarHBondContact O-N 3.23Å; S265-I270 PolarHBondContact N-O 3.24Å; S265-G311 WeakPolarHBondContact CB-O 3.09Å; S265-G311 PolarHBondContact OG-O 3.38Å | ||
| 266 | K | 82.2 | Confident | 90.2 | Very high | 133 Ų | 133 | 25 Ų | 25 | 58% | 0.578 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -31.8 | 168.1 | -60.9 | -178.8 | -174.9 | -179.8 | 0 | 111.8 | A264 | A264-K266 PolarHBondContact O-N 3.29Š|
| 267 | K | 83.5 | Confident | 90.5 | Very high | 116 Ų | 116 | 23 Ų | 23 | 50% | 0.504 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -44.3 | -178.3 | -176.2 | 178.4 | 167.5 | -167.7 | 0 | 113 | S265 E329 | S265-K267 PolarHBondContact O-N 3.48Å; S265-K267 PolarHBondContact OG-N 3.42Å; K267-E329 IonicContact NZ-OE1 2.86Å; K267-E329 PolarHBondContact NZ-OE1 2.94Å |
| 268 | H | 86.6 | Confident | 90.6 | Very high | 5 Ų | 5 | 23 Ų | 23 | 2% | 0.023 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -12.4 | -170.4 | -55.1 | 108.6 | 0 | 0 | 0 | 114.8 | S265 I270 T310 I327 E329 R352 C353 | S265-H268 PolarHBondContact OG-N 3.14Å; S265-H268 VanDerWaalsContact OG-N 3.14Å; S265-H268 PolarHBondContact OG-ND1 3.5Å; H268-I270 HydrophobicContact CB-CB 4.47Å; H268-I270 HydrophobicContact CB-CD1 4.15Å; H268-I270 HydrophobicContact CB-CG1 4.28Å; H268-T310 PolarHBondContact CE1-O 2.97Å; H268-T310 VanDerWaalsContact CE1-O 3.28Å; H268-I327 HydrophobicContact CB-CD1 3.61Å; H268-E329 IonicContact NE2-OE1 2.76Å; H268-R352 PolarHBondContact O-NH2 3.33Å; H268-C353 VanDerWaalsContact CA-SG 3.59Å; H268-C353 PolarHBondContact O-SG 3.37Å; H268-C353 VanDerWaalsContact O-SG 3.34Å |
| 269 | G | 88.5 | Confident | 90.7 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 4% | 0.041 | 11% | 0.106 | C | C | . | . | trans | 64.2 | 41.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S265 V285 R352 | S265-G269 WeakPolarHBondContact O-CA 3.42Å; S265-G269 PolarHBondContact O-N 3.23Å; G269-V285 WeakPolarHBondContact O-CB 3.14Å; G269-V285 WeakPolarHBondContact O-CG2 3.42Å; G269-V285 PolarHBondContact O-N 3.01Å; G269-R352 PolarHBondContact O-NH2 3.16Å | ||
| 270 | I | 93 | Very high | 90.8 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.4 | -178.5 | -71.8 | 174.1 | 0 | 0 | 0 | 109.9 | A264 S265 H268 Y272 L282 Y283 I291 I327 M332 L349 | A264-I270 CarbonylContact C-O 3.56Å; A264-I270 WeakPolarHBondContact CA-O 3.1Å; S265-I270 PolarHBondContact N-O 3.24Å; H268-I270 HydrophobicContact CB-CB 4.47Å; H268-I270 HydrophobicContact CB-CD1 4.15Å; H268-I270 HydrophobicContact CB-CG1 4.28Å; I270-Y272 HydrophobicContact CG2-CE2 4.34Å; I270-L282 HydrophobicContact CG2-CB 4.12Å; I270-L282 HydrophobicContact CG2-CD2 4.28Å; I270-L282 HydrophobicContact CG2-CG 4.08Å; I270-Y283 CarbonylContact C-O 3.54Å; I270-Y283 VanDerWaalsContact CA-O 3.31Å; I270-Y283 WeakPolarHBondContact CA-O 3.47Å; I270-I291 HydrophobicContact CD1-CD1 3.94Å; I270-I291 HydrophobicContact CG1-CD1 4.26Å; I270-I327 HydrophobicContact CB-CD1 4.01Å; I270-I327 HydrophobicContact CD1-CD1 3.26Å; I270-I327 HydrophobicContact CD1-CG1 3.87Å; I270-I327 HydrophobicContact CG1-CD1 4.1Å; I270-I327 HydrophobicContact CG2-CD1 4.23Å; I270-M332 HydrophobicContact CD1-CE 3.35Å; I270-L349 HydrophobicContact CD1-CD1 4.34Å; I270-L349 HydrophobicContact CD1-CD2 4.49Å |
| 271 | I | 95.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 121.6 | 175.9 | -60.6 | 165.5 | 0 | 0 | 0 | 108.6 | C215 L226 I228 M262 A264 L282 Y283 V285 | C215-I271 HydrophobicContact CB-CD1 4.05Å; L226-I271 HydrophobicContact CD2-CD1 4.25Å; I228-I271 HydrophobicContact CD1-CD1 3.68Å; I228-I271 HydrophobicContact CG1-CD1 4.04Å; M262-I271 HydrophobicContact CE-CG2 4.48Å; M262-I271 HydrophobicContact CG-CG2 3.61Å; M262-I271 HydrophobicContact SD-CG2 3.93Å; A264-I271 HydrophobicContact CB-CG1 4.1Å; I271-L282 CarbonylContact O-C 3.48Å; I271-L282 VanDerWaalsContact O-CA 3.31Å; I271-L282 WeakPolarHBondContact O-CA 3.37Å; I271-Y283 PolarHBondContact N-O 3.37Å; I271-Y283 PolarHBondContact O-N 3.04Å; I271-V285 HydrophobicContact CD1-CG2 4Å; I271-V285 HydrophobicContact CG1-CG2 3.69Å |
| 272 | Y | 95.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 118.8 | 167.2 | -57.1 | -91.3 | 0 | 0 | 0 | 109.1 | M262 Q263 I270 H281 L282 G311 I313 V325 I327 | M262-Y272 WeakPolarHBondContact CA-O 2.79Å; Q263-Y272 PolarHBondContact N-O 3.32Å; Q263-Y272 PolarHBondContact O-N 2.93Å; I270-Y272 HydrophobicContact CG2-CE2 4.34Å; Y272-H281 WeakPolarHBondContact CA-O 3.42Å; Y272-L282 HydrophobicContact CD1-CD1 3.77Å; Y272-L282 HydrophobicContact CD1-CD2 4.31Å; Y272-L282 HydrophobicContact CD1-CG 3.78Å; Y272-L282 HydrophobicContact CE1-CD1 4.12Å; Y272-L282 HydrophobicContact CE1-CD2 3.86Å; Y272-L282 HydrophobicContact CE1-CG 3.83Å; Y272-G311 WeakPolarHBondContact CE2-O 3.18Å; Y272-G311 PolarHBondContact OH-O 2.88Å; Y272-I313 HydrophobicContact CD1-CG2 3.96Å; Y272-I313 HydrophobicContact CG-CB 4.2Å; Y272-I313 HydrophobicContact CG-CG2 3.88Å; Y272-V325 HydrophobicContact CD1-CG1 4.41Å; Y272-V325 HydrophobicContact CE1-CG1 4.33Å; Y272-I327 VanDerWaalsContact OH-CD1 3.23Å; Y272-I327 WeakPolarHBondContact OH-CD1 3.29Å; Y272-I327 WeakPolarHBondContact OH-CG1 3.32Å; Y272-I327 PolarHBondContact OH-N 3.34Å |
| 273 | L | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 122.8 | 176.1 | -172.9 | 63.7 | 0 | 0 | 0 | 109.7 | T217 V248 P259 A261 M262 V280 H281 | T217-L273 HydrophobicContact CG2-CD1 3.71Å; T217-L273 HydrophobicContact CG2-CD2 4.21Å; V248-L273 HydrophobicContact CG1-CD2 4.08Å; V248-L273 HydrophobicContact CG2-CD2 4.41Å; P259-L273 HydrophobicContact CB-CD1 3.99Å; P259-L273 HydrophobicContact CB-CG 4.42Å; P259-L273 HydrophobicContact CG-CD2 4.49Å; A261-L273 WeakPolarHBondContact O-CD1 3.29Å; M262-L273 HydrophobicContact CB-CD1 4.01Å; M262-L273 HydrophobicContact CE-CD1 3.77Å; M262-L273 HydrophobicContact CG-CD1 4.27Å; L273-V280 CarbonylContact O-C 3.45Å; L273-V280 VanDerWaalsContact O-CA 3.27Å; L273-V280 WeakPolarHBondContact O-CA 3.5Å; L273-H281 HydrophobicContact CB-CB 4.11Å; L273-H281 PolarHBondContact N-O 3.16Å; L273-H281 PolarHBondContact O-N 3.38Å |
| 274 | I | 93.8 | Very high | 91.2 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.015 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 134.4 | 176 | -64.7 | -179.9 | 0 | 0 | 0 | 109.9 | V260 A261 Y279 V280 I301 T304 I313 | V260-I274 PolarHBondContact N-O 3.32Å; A261-I274 HydrophobicContact CB-CB 4.47Å; A261-I274 PolarHBondContact N-O 3.15Å; A261-I274 PolarHBondContact O-N 3.39Å; I274-Y279 CarbonylContact C-O 2.89Å; I274-Y279 VanDerWaalsContact CA-O 3.27Å; I274-Y279 WeakPolarHBondContact CA-O 3.47Å; I274-V280 HydrophobicContact CG1-CG2 4.2Å; I274-I301 HydrophobicContact CD1-CD1 4.14Å; I274-I301 HydrophobicContact CG2-CB 4.08Å; I274-I301 HydrophobicContact CG2-CD1 4.01Å; I274-T304 HydrophobicContact CD1-CG2 4.13Å; I274-I313 HydrophobicContact CD1-CD1 3.54Å; I274-I313 HydrophobicContact CD1-CG1 4.04Å; I274-I313 HydrophobicContact CD1-CG2 4.17Å; I274-I313 HydrophobicContact CG1-CD1 4.01Å |
| 275 | T | 92 | Very high | 91.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 165 | 176.1 | 80 | 0 | 0 | 0 | 0 | 112.7 | F250 D257 F258 Y277 G278 Y279 | F250-T275 HydrophobicContact CE1-CG2 4.05Å; D257-T275 VanDerWaalsContact CG-OG1 3.31Å; D257-T275 VanDerWaalsContact OD1-CB 3.31Å; D257-T275 WeakPolarHBondContact OD1-CB 3.22Å; D257-T275 PolarHBondContact OD1-OG1 3.2Å; D257-T275 WeakPolarHBondContact OD2-CB 3.33Å; D257-T275 PolarHBondContact OD2-OG1 3.24Å; F258-T275 CarbonylContact O-C 2.98Å; F258-T275 VanDerWaalsContact O-CA 3.3Å; F258-T275 WeakPolarHBondContact O-CA 3.39Å; T275-Y277 PolarHBondContact O-N 3.05Å; T275-G278 PolarHBondContact O-N 2.91Å; T275-Y279 PolarHBondContact N-O 2.98Å; T275-Y279 WeakPolarHBondContact OG1-CB 3.4Å; T275-Y279 PolarHBondContact OG1-N 2.78Å; T275-Y279 VanDerWaalsContact OG1-N 3.11Å |
| 276 | K | 89.2 | Confident | 91.3 | Very high | 67 Ų | 67 | 23.5 Ų | 23.5 | 29% | 0.291 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -35.3 | 179 | 175 | 179.1 | 168.6 | -174.5 | 0 | 112.4 | D257 F258 V260 G278 T300 | D257-K276 WeakPolarHBondContact OD1-CA 3.43Å; D257-K276 WeakPolarHBondContact OD1-CB 3.45Å; D257-K276 PolarHBondContact OD1-N 3.26Å; F258-K276 HydrophobicContact CD1-CB 4.33Å; F258-K276 HydrophobicContact CD1-CD 3.96Å; F258-K276 HydrophobicContact CE1-CB 4.19Å; F258-K276 HydrophobicContact CE1-CD 3.23Å; F258-K276 HydrophobicContact CE1-CG 4.3Å; F258-K276 HydrophobicContact CZ-CB 4.28Å; F258-K276 HydrophobicContact CZ-CD 3.62Å; F258-K276 HydrophobicContact CZ-CG 4.43Å; F258-K276 PolarHBondContact O-N 3.47Å; V260-K276 HydrophobicContact CG2-CB 3.69Å; K276-G278 PolarHBondContact O-N 3.49Å; K276-T300 HydrophobicContact CG-CG2 4.09Å; K276-T300 WeakPolarHBondContact O-CA 3.42Å; K276-T300 WeakPolarHBondContact O-CB 3.22Å; K276-T300 PolarHBondContact O-OG1 3.29Å |
| 277 | Y | 89.4 | Confident | 91.5 | Very high | 73 Ų | 73 | 19.3 Ų | 19.3 | 29% | 0.286 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 5.8 | 178.5 | -68.4 | -0.1 | 0 | 0 | 0 | 113.4 | A254 D257 T275 R295 | A254-Y277 HydrophobicContact CB-CD2 3.78Å; A254-Y277 HydrophobicContact CB-CE2 4.23Å; D257-Y277 HydrophobicContact CB-CD1 4.44Å; D257-Y277 HydrophobicContact CB-CD2 3.75Å; D257-Y277 HydrophobicContact CB-CE2 4.14Å; D257-Y277 HydrophobicContact CB-CG 3.92Å; D257-Y277 PolarHBondContact OD1-N 3.42Å; T275-Y277 PolarHBondContact O-N 3.05Å; Y277-R295 PolarHBondContact O-NE 2.84Å; Y277-R295 PolarHBondContact O-NH2 2.76Å |
| 278 | G | 89.9 | Confident | 91.8 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.068 | C | C | . | . | S | Bend | trans | 84.1 | 24.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T275 K276 I296 S297 | T275-G278 PolarHBondContact O-N 2.91Å; K276-G278 PolarHBondContact O-N 3.49Å; G278-I296 VanDerWaalsContact O-CG1 3.3Å; G278-I296 WeakPolarHBondContact O-CG1 3.23Å; G278-I296 PolarHBondContact O-N 3.39Å; G278-S297 WeakPolarHBondContact CA-O 3.43Å; G278-S297 PolarHBondContact O-N 3.25Å |
| 279 | Y | 92.2 | Very high | 92 | Very high | 34 Ų | 34 | 15.9 Ų | 15.9 | 13% | 0.133 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 141.9 | 167.5 | -70.8 | -93.3 | 0 | 0 | 0 | 110.2 | P251 A254 I274 T275 N294 R295 | P251-Y279 HydrophobicContact CG-CE1 3.98Å; A254-Y279 HydrophobicContact CB-CE2 4.35Å; I274-Y279 CarbonylContact C-O 2.89Å; I274-Y279 VanDerWaalsContact CA-O 3.27Å; I274-Y279 WeakPolarHBondContact CA-O 3.47Å; T275-Y279 PolarHBondContact N-O 2.98Å; T275-Y279 WeakPolarHBondContact OG1-CB 3.4Å; T275-Y279 PolarHBondContact OG1-N 2.78Å; T275-Y279 VanDerWaalsContact OG1-N 3.11Å; Y279-N294 WeakPolarHBondContact CA-O 3.36Å; Y279-R295 HydrophobicContact CD1-CB 3.94Å; Y279-R295 HydrophobicContact CD2-CG 4.44Å; Y279-R295 HydrophobicContact CE1-CB 3.74Å; Y279-R295 HydrophobicContact CE1-CG 4.43Å; Y279-R295 HydrophobicContact CE2-CB 4.46Å; Y279-R295 HydrophobicContact CE2-CG 4.29Å; Y279-R295 HydrophobicContact CG-CB 4.38Å |
| 280 | V | 93 | Very high | 92.2 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 135.3 | 168.3 | 73.7 | 0 | 0 | 0 | 0 | 109.1 | L273 I274 L282 M293 N294 I296 V325 | L273-V280 CarbonylContact O-C 3.45Å; L273-V280 VanDerWaalsContact O-CA 3.27Å; L273-V280 WeakPolarHBondContact O-CA 3.5Å; I274-V280 HydrophobicContact CG1-CG2 4.2Å; V280-L282 HydrophobicContact CG1-CD1 4.4Å; V280-L282 HydrophobicContact CG2-CD1 3.93Å; V280-M293 VanDerWaalsContact O-CA 3.3Å; V280-M293 WeakPolarHBondContact O-CA 3.38Å; V280-N294 PolarHBondContact N-O 3.42Å; V280-N294 PolarHBondContact O-N 3.31Å; V280-N294 VanDerWaalsContact O-N 3.16Å; V280-I296 HydrophobicContact CB-CD1 4.08Å; V280-I296 HydrophobicContact CB-CG1 4.37Å; V280-I296 HydrophobicContact CB-CG2 4.32Å; V280-I296 HydrophobicContact CG1-CD1 4.48Å; V280-I296 HydrophobicContact CG1-CG2 3.62Å; V280-V325 HydrophobicContact CG2-CG1 4.46Å |
| 281 | H | 94 | Very high | 92.2 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.3 | 172.5 | -49.5 | -116.7 | 0 | 0 | 0 | 109.1 | F249 Y272 L273 Y283 Y292 M293 | F249-H281 PolarHBondContact O-CE1 3.49Å; F249-H281 VanDerWaalsContact O-CE1 3.24Å; Y272-H281 WeakPolarHBondContact CA-O 3.42Å; L273-H281 HydrophobicContact CB-CB 4.11Å; L273-H281 PolarHBondContact N-O 3.16Å; L273-H281 PolarHBondContact O-N 3.38Å; H281-Y283 HydrophobicContact CB-CD2 4.1Å; H281-Y283 HydrophobicContact CB-CE2 3.43Å; H281-Y283 VanDerWaalsContact CB-CE2 3.43Å; H281-Y292 WeakPolarHBondContact CA-O 3.43Å; H281-M293 WeakPolarHBondContact CE1-CE 3.49Å; H281-M293 PolarHBondContact CE1-SD 3.36Å; H281-M293 WeakPolarHBondContact ND1-CE 3.34Å; H281-M293 WeakPolarHBondContact ND1-CG 3.3Å |
| 282 | L | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 123.1 | 174 | -82.1 | 67.2 | 0 | 0 | 0 | 108.9 | I5 I270 I271 Y272 V280 I291 Y292 I327 | I5-L282 HydrophobicContact CG2-CD1 4.27Å; I5-L282 HydrophobicContact CG2-CD2 3.4Å; I5-L282 HydrophobicContact CG2-CG 4.49Å; I270-L282 HydrophobicContact CG2-CB 4.12Å; I270-L282 HydrophobicContact CG2-CD2 4.28Å; I270-L282 HydrophobicContact CG2-CG 4.08Å; I271-L282 CarbonylContact O-C 3.48Å; I271-L282 VanDerWaalsContact O-CA 3.31Å; I271-L282 WeakPolarHBondContact O-CA 3.37Å; Y272-L282 HydrophobicContact CD1-CD1 3.77Å; Y272-L282 HydrophobicContact CD1-CD2 4.31Å; Y272-L282 HydrophobicContact CD1-CG 3.78Å; Y272-L282 HydrophobicContact CE1-CD1 4.12Å; Y272-L282 HydrophobicContact CE1-CD2 3.86Å; Y272-L282 HydrophobicContact CE1-CG 3.83Å; V280-L282 HydrophobicContact CG1-CD1 4.4Å; V280-L282 HydrophobicContact CG2-CD1 3.93Å; L282-I291 HydrophobicContact CB-CB 4.4Å; L282-I291 PolarHBondContact O-N 2.92Å; L282-Y292 PolarHBondContact N-O 2.84Å; L282-I327 HydrophobicContact CD2-CG1 4.24Å |
| 283 | Y | 94.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 137 | 174 | -64.4 | -92.3 | 0 | 0 | 0 | 110.4 | L226 I246 I270 I271 H281 T289 C290 | L226-Y283 HydrophobicContact CD2-CD1 3.98Å; L226-Y283 HydrophobicContact CD2-CD2 3.64Å; L226-Y283 HydrophobicContact CD2-CE1 4.4Å; L226-Y283 HydrophobicContact CD2-CE2 4.09Å; L226-Y283 HydrophobicContact CD2-CG 3.59Å; I246-Y283 HydrophobicContact CG2-CD1 4.3Å; I246-Y283 HydrophobicContact CG2-CE1 3.91Å; I270-Y283 CarbonylContact C-O 3.54Å; I270-Y283 VanDerWaalsContact CA-O 3.31Å; I270-Y283 WeakPolarHBondContact CA-O 3.47Å; I271-Y283 PolarHBondContact N-O 3.37Å; I271-Y283 PolarHBondContact O-N 3.04Å; H281-Y283 HydrophobicContact CB-CD2 4.1Å; H281-Y283 HydrophobicContact CB-CE2 3.43Å; H281-Y283 VanDerWaalsContact CB-CE2 3.43Å; Y283-T289 WeakPolarHBondContact CA-O 3.03Å; Y283-C290 HydrophobicContact CD1-CB 3.84Å; Y283-C290 HydrophobicContact CE1-CB 3.47Å; Y283-C290 VanDerWaalsContact CE1-CB 3.47Å |
| 284 | D | 92.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 130.5 | 165.2 | 170.3 | 50 | 0 | 0 | 0 | 109.4 | S287 G288 T289 I291 L345 R352 | D284-S287 VanDerWaalsContact OD2-CB 3.25Å; D284-S287 WeakPolarHBondContact OD2-CB 3.44Å; D284-S287 PolarHBondContact OD2-N 3.4Å; D284-S287 PolarHBondContact OD2-OG 2.84Å; D284-G288 WeakPolarHBondContact O-CA 3.16Å; D284-G288 PolarHBondContact O-N 2.89Å; D284-T289 PolarHBondContact N-O 3.39Å; D284-I291 HydrophobicContact CB-CD1 4.04Å; D284-L345 HydrophobicContact CB-CD1 4.07Å; D284-L345 WeakPolarHBondContact OD2-CD1 3.35Å; D284-R352 IonicContact OD1-CZ 3.83Å; D284-R352 IonicContact OD1-NH1 2.89Å; D284-R352 PolarHBondContact OD1-NH1 2.86Å; D284-R352 IonicContact OD1-NH2 3.23Å; D284-R352 PolarHBondContact OD1-NH2 2.85Å |
| 285 | V | 92.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -48.8 | -178.6 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | F202 L213 I228 Y241 G269 I271 | F202-V285 HydrophobicContact CB-CG1 4.44Å; F202-V285 HydrophobicContact CD1-CG1 4.17Å; F202-V285 HydrophobicContact CD2-CB 4.28Å; F202-V285 HydrophobicContact CD2-CG1 3.98Å; F202-V285 HydrophobicContact CE1-CG1 4.47Å; F202-V285 HydrophobicContact CE2-CB 4.27Å; F202-V285 HydrophobicContact CE2-CG1 4.3Å; F202-V285 HydrophobicContact CG-CG1 3.92Å; L213-V285 HydrophobicContact CD1-CG1 3.52Å; I228-V285 WeakPolarHBondContact CD1-O 3.3Å; I228-V285 HydrophobicContact CG2-CG1 4.44Å; Y241-V285 PolarHBondContact OH-O 3.44Å; G269-V285 WeakPolarHBondContact O-CB 3.14Å; G269-V285 WeakPolarHBondContact O-CG2 3.42Å; G269-V285 PolarHBondContact O-N 3.01Å; I271-V285 HydrophobicContact CD1-CG2 4Å; I271-V285 HydrophobicContact CG1-CG2 3.69Å |
| 286 | E | 89.5 | Confident | 91.3 | Very high | 54 Ų | 54 | 31 Ų | 31 | 25% | 0.252 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -52.4 | -170.8 | -177 | 178.6 | -179.6 | 0 | 0 | 113.5 | F202 L204 Y241 K244 R352 | F202-E286 HydrophobicContact CE1-CB 4.12Å; F202-E286 HydrophobicContact CZ-CB 3.87Å; L204-E286 HydrophobicContact CD2-CG 4.26Å; Y241-E286 PolarHBondContact OH-O 3.27Å; K244-E286 WeakPolarHBondContact CE-O 3.33Å; E286-R352 VanDerWaalsContact CB-NH1 3.3Å; E286-R352 IonicContact OE2-CZ 3.04Å; E286-R352 IonicContact OE2-NH1 2.73Å; E286-R352 PolarHBondContact OE2-NH1 3.46Å |
| 287 | S | 87.7 | Confident | 91.4 | Very high | 46 Ų | 46 | 28.1 Ų | 28.1 | 32% | 0.322 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -27.5 | -179.2 | 64.7 | 0 | 0 | 0 | 0 | 112.8 | D284 T289 | D284-S287 VanDerWaalsContact OD2-CB 3.25Å; D284-S287 WeakPolarHBondContact OD2-CB 3.44Å; D284-S287 PolarHBondContact OD2-N 3.4Å; D284-S287 PolarHBondContact OD2-OG 2.84Å; S287-T289 WeakPolarHBondContact CB-OG1 3.46Å; S287-T289 WeakPolarHBondContact OG-CB 3.37Å; S287-T289 PolarHBondContact OG-N 3.27Å; S287-T289 PolarHBondContact OG-OG1 3.44Å |
| 288 | G | 89.7 | Confident | 91.3 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | trans | 77.3 | 6.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I246 D284 | I246-G288 WeakPolarHBondContact CD1-O 3.46Å; I246-G288 WeakPolarHBondContact CG1-O 3.28Å; I246-G288 WeakPolarHBondContact CG2-O 3.47Å; D284-G288 WeakPolarHBondContact O-CA 3.16Å; D284-G288 PolarHBondContact O-N 2.89Å | ||
| 289 | T | 91.4 | Very high | 91.3 | Very high | 44 Ų | 44 | 32.3 Ų | 32.3 | 27% | 0.27 | 17% | 0.168 | S | C | . | . | trans | -71.2 | 133.1 | -175.7 | -52.4 | 0 | 0 | 0 | 0 | 110.9 | Y283 D284 S287 I291 L345 | Y283-T289 WeakPolarHBondContact CA-O 3.03Å; D284-T289 PolarHBondContact N-O 3.39Å; S287-T289 WeakPolarHBondContact CB-OG1 3.46Å; S287-T289 WeakPolarHBondContact OG-CB 3.37Å; S287-T289 PolarHBondContact OG-N 3.27Å; S287-T289 PolarHBondContact OG-OG1 3.44Å; T289-I291 PolarHBondContact O-N 3.03Å; T289-L345 HydrophobicContact CG2-CD2 4.1Å | ||
| 290 | C | 92.5 | Very high | 91.1 | Very high | 42 Ų | 42 | 32 Ų | 32 | 28% | 0.284 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 116.3 | 169.4 | -167.9 | 0 | 0 | 0 | 0 | 109.5 | Y283 | Y283-C290 HydrophobicContact CD1-CB 3.84Å; Y283-C290 HydrophobicContact CE1-CB 3.47Å; Y283-C290 VanDerWaalsContact CE1-CB 3.47Å |
| 291 | I | 92.1 | Very high | 91 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.015 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -47.3 | -176.7 | -51.7 | 176.4 | 0 | 0 | 0 | 110.1 | I270 L282 D284 T289 M332 Y335 I336 L340 | I270-I291 HydrophobicContact CD1-CD1 3.94Å; I270-I291 HydrophobicContact CG1-CD1 4.26Å; L282-I291 HydrophobicContact CB-CB 4.4Å; L282-I291 PolarHBondContact O-N 2.92Å; D284-I291 HydrophobicContact CB-CD1 4.04Å; T289-I291 PolarHBondContact O-N 3.03Å; I291-M332 HydrophobicContact CB-CE 4.46Å; I291-M332 HydrophobicContact CD1-CE 3.38Å; I291-M332 HydrophobicContact CG1-CE 4.44Å; I291-M332 HydrophobicContact CG2-CE 3.71Å; I291-M332 HydrophobicContact CG2-SD 4.01Å; I291-Y335 WeakPolarHBondContact O-CE1 3.38Å; I291-I336 HydrophobicContact CG2-CG1 4.15Å; I291-L340 HydrophobicContact CG2-CD1 4.09Å |
| 292 | Y | 92.4 | Very high | 90.7 | Very high | 19 Ų | 19 | 33.1 Ų | 33.1 | 8% | 0.075 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 144.9 | -175 | -176.9 | -100 | 0 | 0 | 0 | 111 | L3 P4 I5 H281 L282 N294 | L3-Y292 HydrophobicContact CD2-CE2 3.8Å; P4-Y292 HydrophobicContact CG-CD2 3.64Å; P4-Y292 HydrophobicContact CG-CE2 4.43Å; P4-Y292 HydrophobicContact CG-CG 3.85Å; I5-Y292 HydrophobicContact CD1-CD1 3.87Å; I5-Y292 HydrophobicContact CD1-CE1 3.33Å; I5-Y292 HydrophobicContact CG1-CD1 4.16Å; I5-Y292 HydrophobicContact CG1-CE1 3.84Å; I5-Y292 HydrophobicContact CG2-CD1 4.06Å; I5-Y292 HydrophobicContact CG2-CG 4.44Å; H281-Y292 WeakPolarHBondContact CA-O 3.43Å; L282-Y292 PolarHBondContact N-O 2.84Å; Y292-N294 HydrophobicContact CE1-CB 3.62Å; Y292-N294 WeakPolarHBondContact OH-CB 3.41Å; Y292-N294 PolarHBondContact OH-ND2 3.28Å |
| 293 | M | 90.1 | Very high | 90.6 | Very high | 54 Ų | 54 | 34.2 Ų | 34.2 | 27% | 0.266 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 126.8 | 175.2 | -176.2 | -165.7 | -54.1 | 0 | 0 | 110.3 | F249 V280 H281 | F249-M293 HydrophobicContact CB-CE 3.69Å; F249-M293 HydrophobicContact CD1-CE 3.83Å; F249-M293 HydrophobicContact CD1-SD 3.69Å; F249-M293 HydrophobicContact CE1-SD 4.47Å; F249-M293 HydrophobicContact CG-CE 4.24Å; V280-M293 VanDerWaalsContact O-CA 3.3Å; V280-M293 WeakPolarHBondContact O-CA 3.38Å; H281-M293 WeakPolarHBondContact CE1-CE 3.49Å; H281-M293 PolarHBondContact CE1-SD 3.36Å; H281-M293 WeakPolarHBondContact ND1-CE 3.34Å; H281-M293 WeakPolarHBondContact ND1-CG 3.3Å |
| 294 | N | 90.1 | Very high | 90.5 | Very high | 79 Ų | 79 | 34.6 Ų | 34.6 | 42% | 0.422 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 164 | 172 | -151.9 | -15.1 | 0 | 0 | 0 | 111.8 | Y279 V280 Y292 | Y279-N294 WeakPolarHBondContact CA-O 3.36Å; V280-N294 PolarHBondContact N-O 3.42Å; V280-N294 PolarHBondContact O-N 3.31Å; V280-N294 VanDerWaalsContact O-N 3.16Å; Y292-N294 HydrophobicContact CE1-CB 3.62Å; Y292-N294 WeakPolarHBondContact OH-CB 3.41Å; Y292-N294 PolarHBondContact OH-ND2 3.28Å |
| 295 | R | 90.6 | Very high | 90.5 | Very high | 100 Ų | 100 | 34.7 Ų | 34.7 | 38% | 0.377 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 123.7 | 172.9 | -162.8 | 178.7 | -173.4 | -177.2 | -0.4 | 110.3 | Y277 Y279 S297 N298 | Y277-R295 PolarHBondContact O-NE 2.84Å; Y277-R295 PolarHBondContact O-NH2 2.76Å; Y279-R295 HydrophobicContact CD1-CB 3.94Å; Y279-R295 HydrophobicContact CD2-CG 4.44Å; Y279-R295 HydrophobicContact CE1-CB 3.74Å; Y279-R295 HydrophobicContact CE1-CG 4.43Å; Y279-R295 HydrophobicContact CE2-CB 4.46Å; Y279-R295 HydrophobicContact CE2-CG 4.29Å; Y279-R295 HydrophobicContact CG-CB 4.38Å; R295-S297 WeakPolarHBondContact CG-O 3.35Å; R295-S297 PolarHBondContact NE-O 3.07Å; R295-N298 PolarHBondContact NH1-OD1 3.45Å; R295-N298 PolarHBondContact NH2-O 2.74Å; R295-N298 VanDerWaalsContact NH2-O 3.17Å |
| 296 | I | 89.9 | Confident | 90.4 | Very high | 29 Ų | 29 | 36.5 Ų | 36.5 | 15% | 0.149 | 19% | 0.193 | C | C | . | . | trans | -108.2 | -16.9 | -180 | 59.7 | 166.7 | 0 | 0 | 0 | 113.4 | F7 G278 V280 I301 V325 | F7-I296 HydrophobicContact CD2-CB 4.26Å; F7-I296 HydrophobicContact CD2-CG2 4.23Å; F7-I296 HydrophobicContact CE2-CB 3.83Å; F7-I296 HydrophobicContact CE2-CG2 4.31Å; G278-I296 VanDerWaalsContact O-CG1 3.3Å; G278-I296 WeakPolarHBondContact O-CG1 3.23Å; G278-I296 PolarHBondContact O-N 3.39Å; V280-I296 HydrophobicContact CB-CD1 4.08Å; V280-I296 HydrophobicContact CB-CG1 4.37Å; V280-I296 HydrophobicContact CB-CG2 4.32Å; V280-I296 HydrophobicContact CG1-CD1 4.48Å; V280-I296 HydrophobicContact CG1-CG2 3.62Å; I296-I301 HydrophobicContact CD1-CD1 3.83Å; I296-I301 HydrophobicContact CG1-CD1 4.26Å; I296-V325 HydrophobicContact CD1-CG2 3.66Å; I296-V325 HydrophobicContact CG2-CG2 4.39Å | ||
| 297 | S | 90.5 | Very high | 90.5 | Very high | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | trans | -144.2 | 139 | 178.8 | 178.5 | 0 | 0 | 0 | 0 | 110 | G278 R295 D299 N317 | G278-S297 WeakPolarHBondContact CA-O 3.43Å; G278-S297 PolarHBondContact O-N 3.25Å; R295-S297 WeakPolarHBondContact CG-O 3.35Å; R295-S297 PolarHBondContact NE-O 3.07Å; S297-D299 VanDerWaalsContact C-N 3.28Å; S297-D299 WeakPolarHBondContact CB-O 3.28Å; S297-D299 PolarHBondContact OG-N 2.82Å; S297-D299 VanDerWaalsContact OG-N 3.15Å; S297-D299 PolarHBondContact OG-O 3.5Å; S297-N317 PolarHBondContact OG-ND2 3.4Å; S297-N317 VanDerWaalsContact OG-ND2 3.09Å | ||
| 298 | N | 87.2 | Confident | 90.4 | Very high | 120 Ų | 120 | 39.3 Ų | 39.3 | 64% | 0.642 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -78.7 | -19.6 | 171 | -73.3 | -33.5 | 0 | 0 | 0 | 112.1 | R295 | R295-N298 PolarHBondContact NH1-OD1 3.45Å; R295-N298 PolarHBondContact NH2-O 2.74Å; R295-N298 VanDerWaalsContact NH2-O 3.17Å |
| 299 | D | 89 | Confident | 90.1 | Very high | 42 Ų | 42 | 42.7 Ų | 42.7 | 23% | 0.225 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -108 | 150.3 | -178.7 | -65.4 | -86.9 | 0 | 0 | 0 | 111 | S297 I301 N317 R318 K319 | S297-D299 VanDerWaalsContact C-N 3.28Å; S297-D299 WeakPolarHBondContact CB-O 3.28Å; S297-D299 PolarHBondContact OG-N 2.82Å; S297-D299 VanDerWaalsContact OG-N 3.15Å; S297-D299 PolarHBondContact OG-O 3.5Å; D299-I301 PolarHBondContact O-N 2.88Å; D299-N317 HydrophobicContact CB-CB 4.21Å; D299-R318 HydrophobicContact CB-CB 4.49Å; D299-K319 IonicContact OD1-NZ 2.79Å; D299-K319 WeakPolarHBondContact OD2-CD 3.39Å; D299-K319 WeakPolarHBondContact OD2-CE 3.26Å; D299-K319 IonicContact OD2-NZ 3.18Å; D299-K319 PolarHBondContact OD2-NZ 3.37Å |
| 300 | T | 88.6 | Confident | 89.8 | Confident | 26 Ų | 26 | 42.3 Ų | 42.3 | 16% | 0.16 | 23% | 0.225 | C | C | . | . | trans | -63.2 | 125.2 | -179.3 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | K276 N317 R318 | K276-T300 HydrophobicContact CG-CG2 4.09Å; K276-T300 WeakPolarHBondContact O-CA 3.42Å; K276-T300 WeakPolarHBondContact O-CB 3.22Å; K276-T300 PolarHBondContact O-OG1 3.29Å; T300-N317 WeakPolarHBondContact O-CA 3.39Å; T300-R318 PolarHBondContact O-N 2.7Å; T300-R318 VanDerWaalsContact O-N 3.11Å | ||
| 301 | I | 91.5 | Very high | 89.5 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 114.4 | 166.1 | -61.5 | 170.9 | 0 | 0 | 0 | 107 | I274 I296 D299 T304 V316 N317 | I274-I301 HydrophobicContact CD1-CD1 4.14Å; I274-I301 HydrophobicContact CG2-CB 4.08Å; I274-I301 HydrophobicContact CG2-CD1 4.01Å; I296-I301 HydrophobicContact CD1-CD1 3.83Å; I296-I301 HydrophobicContact CG1-CD1 4.26Å; D299-I301 PolarHBondContact O-N 2.88Å; I301-T304 HydrophobicContact CG2-CG2 3.66Å; I301-V316 WeakPolarHBondContact CA-O 3.35Å; I301-N317 HydrophobicContact CG1-CB 4.07Å |
| 302 | F | 88.5 | Confident | 89.5 | Confident | 23 Ų | 23 | 40.4 Ų | 40.4 | 10% | 0.101 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | -17.1 | -170.5 | 66 | -95.1 | 0 | 0 | 0 | 113.7 | I23 F25 L28 V316 N317 R318 | I23-F302 HydrophobicContact CG2-CE1 4.11Å; I23-F302 HydrophobicContact CG2-CZ 4.16Å; F25-F302 HydrophobicContact CB-CD2 4.03Å; F25-F302 HydrophobicContact CD2-CD2 4.43Å; L28-F302 HydrophobicContact CB-CE2 4.23Å; L28-F302 HydrophobicContact CB-CZ 4.28Å; L28-F302 HydrophobicContact CD1-CZ 4.29Å; L28-F302 HydrophobicContact CD2-CE2 4.18Å; L28-F302 HydrophobicContact CD2-CZ 4.29Å; F302-V316 WeakPolarHBondContact CD1-O 3.49Å; F302-V316 HydrophobicContact CE1-CG1 4.45Å; F302-V316 HydrophobicContact CZ-CG1 4.46Å; F302-V316 PolarHBondContact N-O 2.88Å; F302-V316 VanDerWaalsContact N-O 3.09Å; F302-N317 WeakPolarHBondContact CE1-O 3.28Å; F302-R318 HydrophobicContact CD1-CG 4.07Å |
| 303 | V | 90.9 | Very high | 89.6 | Confident | 24 Ų | 24 | 39.5 Ų | 39.5 | 15% | 0.145 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 142.4 | 173.9 | 68.4 | 0 | 0 | 0 | 0 | 109.2 | L28 M30 G315 V316 | L28-V303 HydrophobicContact CD2-CG1 3.56Å; M30-V303 HydrophobicContact CB-CG1 4.33Å; M30-V303 HydrophobicContact CB-CG2 3.91Å; M30-V303 HydrophobicContact CE-CG1 4.39Å; V303-G315 WeakPolarHBondContact O-CA 3.22Å; V303-V316 HydrophobicContact CG1-CB 3.78Å; V303-V316 HydrophobicContact CG1-CG2 3.95Å; V303-V316 PolarHBondContact O-N 3.37Å |
| 304 | T | 93 | Very high | 89.8 | Confident | 9 Ų | 9 | 37 Ų | 37 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 149.3 | -178.2 | 61.1 | 0 | 0 | 0 | 0 | 111.2 | A261 I274 I301 I313 I314 | A261-T304 HydrophobicContact CB-CG2 3.61Å; A261-T304 VanDerWaalsContact CB-OG1 3.25Å; A261-T304 WeakPolarHBondContact CB-OG1 3.48Å; I274-T304 HydrophobicContact CD1-CG2 4.13Å; I301-T304 HydrophobicContact CG2-CG2 3.66Å; T304-I313 HydrophobicContact CG2-CD1 4.19Å; T304-I313 HydrophobicContact CG2-CG1 4.49Å; T304-I314 CarbonylContact C-O 3.58Å; T304-I314 WeakPolarHBondContact CA-O 3.48Å; T304-I314 WeakPolarHBondContact CB-O 3.44Å |
| 305 | A | 92.3 | Very high | 89.9 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 169.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | M30 I314 | M30-A305 HydrophobicContact CE-CB 3.91Å; M30-A305 HydrophobicContact CG-CB 4.34Å; A305-I314 HydrophobicContact CB-CG2 3.99Å; A305-I314 PolarHBondContact N-O 3.02Å; A305-I314 PolarHBondContact O-N 3.46Å |
| 306 | E | 90.7 | Very high | 90.1 | Very high | 38 Ų | 38 | 28.6 Ų | 28.6 | 18% | 0.178 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 137.2 | 168.3 | -169 | 166.4 | 176.5 | 0 | 0 | 109.4 | Q263 | Q263-E306 HydrophobicContact CG-CB 4.22Å; Q263-E306 HydrophobicContact CG-CG 4.38Å; Q263-E306 PolarHBondContact NE2-OE2 2.83Å; Q263-E306 VanDerWaalsContact NE2-OE2 3.11Å |
| 307 | Y | 91.2 | Very high | 90.2 | Very high | 42 Ų | 42 | 27.2 Ų | 27.2 | 17% | 0.165 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 89 | 170.4 | -170.7 | -142.6 | 0 | 0 | 0 | 108.7 | D33 A309 T310 G311 G312 I314 | D33-Y307 HydrophobicContact CB-CD2 3.63Å; D33-Y307 HydrophobicContact CB-CE2 4.24Å; D33-Y307 WeakPolarHBondContact OD2-CD2 3.37Å; Y307-A309 VanDerWaalsContact C-N 3.3Å; Y307-A309 HydrophobicContact CE2-CB 4.34Å; Y307-A309 PolarHBondContact O-N 3.15Å; Y307-T310 HydrophobicContact CD1-CG2 4.26Å; Y307-T310 WeakPolarHBondContact CD1-OG1 3.23Å; Y307-T310 HydrophobicContact CE1-CG2 3.85Å; Y307-T310 WeakPolarHBondContact CE1-OG1 3.19Å; Y307-T310 PolarHBondContact O-N 2.91Å; Y307-G311 WeakPolarHBondContact O-CA 3.45Å; Y307-G311 PolarHBondContact O-N 3.36Å; Y307-G312 PolarHBondContact N-O 2.92Å; Y307-G312 PolarHBondContact O-N 2.96Å; Y307-G312 VanDerWaalsContact O-N 3.08Å; Y307-I314 HydrophobicContact CD2-CD1 4.45Å |
| 308 | E | 86 | Confident | 90.2 | Very high | 116 Ų | 116 | 34.7 Ų | 34.7 | 54% | 0.542 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -40.7 | -166.1 | -68.2 | -173 | 169 | 0 | 0 | 111.8 | D33 T310 G311 | D33-E308 PolarHBondContact OD2-N 2.92Å; E308-T310 PolarHBondContact O-N 3.5Å; E308-T310 VanDerWaalsContact O-N 3.11Å; E308-G311 PolarHBondContact O-N 2.91Å |
| 309 | A | 83.8 | Confident | 90.2 | Very high | 75 Ų | 75 | 34.4 Ų | 34.4 | 62% | 0.62 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -30.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y307 | Y307-A309 VanDerWaalsContact C-N 3.3Å; Y307-A309 HydrophobicContact CE2-CB 4.34Å; Y307-A309 PolarHBondContact O-N 3.15Å |
| 310 | T | 84.3 | Confident | 90.3 | Very high | 37 Ų | 37 | 32.4 Ų | 32.4 | 23% | 0.227 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | -1.6 | -178.5 | 63.1 | 0 | 0 | 0 | 0 | 113.5 | H268 Y307 E308 G312 S326 | H268-T310 PolarHBondContact CE1-O 2.97Å; H268-T310 VanDerWaalsContact CE1-O 3.28Å; Y307-T310 HydrophobicContact CD1-CG2 4.26Å; Y307-T310 WeakPolarHBondContact CD1-OG1 3.23Å; Y307-T310 HydrophobicContact CE1-CG2 3.85Å; Y307-T310 WeakPolarHBondContact CE1-OG1 3.19Å; Y307-T310 PolarHBondContact O-N 2.91Å; E308-T310 PolarHBondContact O-N 3.5Å; E308-T310 VanDerWaalsContact O-N 3.11Å; T310-G312 PolarHBondContact O-N 3.39Å; T310-S326 WeakPolarHBondContact OG1-CB 3.37Å; T310-S326 PolarHBondContact OG1-OG 2.84Å |
| 311 | G | 86.3 | Confident | 90.5 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 34.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S265 Y272 Y307 E308 | S265-G311 WeakPolarHBondContact CB-O 3.09Å; S265-G311 PolarHBondContact OG-O 3.38Å; Y272-G311 WeakPolarHBondContact CE2-O 3.18Å; Y272-G311 PolarHBondContact OH-O 2.88Å; Y307-G311 WeakPolarHBondContact O-CA 3.45Å; Y307-G311 PolarHBondContact O-N 3.36Å; E308-G311 PolarHBondContact O-N 2.91Å |
| 312 | G | 92.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -161.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y307 T310 V325 | Y307-G312 PolarHBondContact N-O 2.92Å; Y307-G312 PolarHBondContact O-N 2.96Å; Y307-G312 VanDerWaalsContact O-N 3.08Å; T310-G312 PolarHBondContact O-N 3.39Å; G312-V325 CarbonylContact C-O 3.59Å; G312-V325 VanDerWaalsContact CA-O 3.28Å; G312-V325 WeakPolarHBondContact CA-O 3.16Å |
| 313 | I | 93.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 137.4 | 170.2 | -172.1 | 163 | 0 | 0 | 0 | 109.6 | Q263 Y272 I274 T304 S324 V325 | Q263-I313 HydrophobicContact CB-CB 4.4Å; Q263-I313 HydrophobicContact CB-CD1 3.83Å; Q263-I313 HydrophobicContact CB-CG1 4.2Å; Y272-I313 HydrophobicContact CD1-CG2 3.96Å; Y272-I313 HydrophobicContact CG-CB 4.2Å; Y272-I313 HydrophobicContact CG-CG2 3.88Å; I274-I313 HydrophobicContact CD1-CD1 3.54Å; I274-I313 HydrophobicContact CD1-CG1 4.04Å; I274-I313 HydrophobicContact CD1-CG2 4.17Å; I274-I313 HydrophobicContact CG1-CD1 4.01Å; T304-I313 HydrophobicContact CG2-CD1 4.19Å; T304-I313 HydrophobicContact CG2-CG1 4.49Å; I313-S324 CarbonylContact O-C 3.45Å; I313-S324 VanDerWaalsContact O-CA 3.26Å; I313-S324 WeakPolarHBondContact O-CA 3.36Å; I313-V325 HydrophobicContact CG2-CB 4Å; I313-V325 PolarHBondContact N-O 3.26Å; I313-V325 PolarHBondContact O-N 3.21Å |
| 314 | I | 94.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 144.4 | 171.4 | -170 | 166.2 | 0 | 0 | 0 | 108.9 | M30 D33 T304 A305 Y307 V322 L323 | M30-I314 HydrophobicContact CE-CG2 4.06Å; M30-I314 WeakPolarHBondContact CE-O 3.47Å; M30-I314 HydrophobicContact SD-CG2 4.41Å; D33-I314 HydrophobicContact CB-CD1 4.42Å; D33-I314 HydrophobicContact CB-CG2 4.05Å; T304-I314 CarbonylContact C-O 3.58Å; T304-I314 WeakPolarHBondContact CA-O 3.48Å; T304-I314 WeakPolarHBondContact CB-O 3.44Å; A305-I314 HydrophobicContact CB-CG2 3.99Å; A305-I314 PolarHBondContact N-O 3.02Å; A305-I314 PolarHBondContact O-N 3.46Å; Y307-I314 HydrophobicContact CD2-CD1 4.45Å; I314-V322 HydrophobicContact CD1-CG1 3.95Å; I314-V322 HydrophobicContact CG1-CG1 4.11Å; I314-L323 CarbonylContact C-O 3.49Å; I314-L323 WeakPolarHBondContact CA-O 3.44Å; I314-L323 WeakPolarHBondContact CG1-O 3.34Å |
| 315 | G | 93.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 158 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V303 L323 | V303-G315 WeakPolarHBondContact O-CA 3.22Å; G315-L323 PolarHBondContact N-O 3.22Å; G315-L323 PolarHBondContact O-N 3.18Å |
| 316 | V | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.6 | 176.5 | -169.9 | 0 | 0 | 0 | 0 | 110 | L13 L28 M30 I36 I301 F302 V303 Q321 V322 | L13-V316 HydrophobicContact CD1-CG1 3.86Å; L28-V316 HydrophobicContact CD1-CG1 4.17Å; L28-V316 HydrophobicContact CD2-CG2 4.34Å; M30-V316 HydrophobicContact SD-CG2 4.05Å; I36-V316 HydrophobicContact CD1-CG2 4.27Å; I301-V316 WeakPolarHBondContact CA-O 3.35Å; F302-V316 WeakPolarHBondContact CD1-O 3.49Å; F302-V316 HydrophobicContact CE1-CG1 4.45Å; F302-V316 HydrophobicContact CZ-CG1 4.46Å; F302-V316 PolarHBondContact N-O 2.88Å; F302-V316 VanDerWaalsContact N-O 3.09Å; V303-V316 HydrophobicContact CG1-CB 3.78Å; V303-V316 HydrophobicContact CG1-CG2 3.95Å; V303-V316 PolarHBondContact O-N 3.37Å; V316-Q321 WeakPolarHBondContact CA-O 3.3Å; V316-V322 HydrophobicContact CG2-CG2 4.11Å |
| 317 | N | 92.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 168.6 | 174.8 | 77.3 | 10.4 | 0 | 0 | 0 | 112.5 | S297 D299 T300 I301 F302 K319 G320 Q321 | S297-N317 PolarHBondContact OG-ND2 3.4Å; S297-N317 VanDerWaalsContact OG-ND2 3.09Å; D299-N317 HydrophobicContact CB-CB 4.21Å; T300-N317 WeakPolarHBondContact O-CA 3.39Å; I301-N317 HydrophobicContact CG1-CB 4.07Å; F302-N317 WeakPolarHBondContact CE1-O 3.28Å; N317-K319 PolarHBondContact O-N 3.41Å; N317-K319 VanDerWaalsContact O-N 3.12Å; N317-K319 PolarHBondContact OD1-N 3.41Å; N317-G320 PolarHBondContact O-N 2.84Å; N317-G320 PolarHBondContact OD1-N 3.5Å; N317-Q321 PolarHBondContact N-O 3.21Å; N317-Q321 VanDerWaalsContact N-O 3.14Å; N317-Q321 PolarHBondContact ND2-OE1 3Å; N317-Q321 WeakPolarHBondContact OD1-CB 3.23Å; N317-Q321 PolarHBondContact OD1-N 3.3Å |
| 318 | R | 89.3 | Confident | 91.1 | Very high | 163 Ų | 163 | 30.2 Ų | 30.2 | 62% | 0.615 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -17 | -179.5 | -71.1 | -174.2 | 177.5 | -163.9 | -2.8 | 115.2 | D299 T300 F302 G320 | D299-R318 HydrophobicContact CB-CB 4.49Å; T300-R318 PolarHBondContact O-N 2.7Å; T300-R318 VanDerWaalsContact O-N 3.11Å; F302-R318 HydrophobicContact CD1-CG 4.07Å; R318-G320 VanDerWaalsContact C-N 3.31Å |
| 319 | K | 88.5 | Confident | 91.1 | Very high | 114 Ų | 114 | 27.9 Ų | 27.9 | 50% | 0.496 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.3 | 172.8 | -77.8 | -176.2 | 179 | 144.3 | 0 | 113.1 | Q12 D299 N317 | Q12-K319 PolarHBondContact NE2-O 2.88Å; D299-K319 IonicContact OD1-NZ 2.79Å; D299-K319 WeakPolarHBondContact OD2-CD 3.39Å; D299-K319 WeakPolarHBondContact OD2-CE 3.26Å; D299-K319 IonicContact OD2-NZ 3.18Å; D299-K319 PolarHBondContact OD2-NZ 3.37Å; N317-K319 PolarHBondContact O-N 3.41Å; N317-K319 VanDerWaalsContact O-N 3.12Å; N317-K319 PolarHBondContact OD1-N 3.41Å |
| 320 | G | 90.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | 90.6 | 13.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q12 L13 N317 R318 | Q12-G320 PolarHBondContact OE1-O 3.4Å; L13-G320 WeakPolarHBondContact CB-O 3.11Å; L13-G320 VanDerWaalsContact CG-O 3.24Å; L13-G320 WeakPolarHBondContact CG-O 3.29Å; L13-G320 PolarHBondContact N-O 2.9Å; N317-G320 PolarHBondContact O-N 2.84Å; N317-G320 PolarHBondContact OD1-N 3.5Å; R318-G320 VanDerWaalsContact C-N 3.31Å | ||
| 321 | Q | 93.3 | Very high | 91.4 | Very high | 48 Ų | 48 | 32.4 Ų | 32.4 | 22% | 0.224 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 127.2 | 176.1 | -61.5 | 176.7 | -69.1 | 0 | 0 | 108.9 | E9 Q12 V316 N317 L323 | E9-Q321 PolarHBondContact OE1-NE2 3.24Å; E9-Q321 PolarHBondContact OE2-NE2 3.07Å; Q12-Q321 VanDerWaalsContact OE1-CA 3.23Å; V316-Q321 WeakPolarHBondContact CA-O 3.3Å; N317-Q321 PolarHBondContact N-O 3.21Å; N317-Q321 VanDerWaalsContact N-O 3.14Å; N317-Q321 PolarHBondContact ND2-OE1 3Å; N317-Q321 WeakPolarHBondContact OD1-CB 3.23Å; N317-Q321 PolarHBondContact OD1-N 3.3Å; Q321-L323 HydrophobicContact CB-CD1 4.43Å; Q321-L323 HydrophobicContact CB-CD2 3.96Å; Q321-L323 HydrophobicContact CB-CG 4.03Å |
| 322 | V | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 108.6 | 172.1 | -174 | 0 | 0 | 0 | 0 | 108 | H10 V11 L13 I36 M53 I314 V316 | H10-V322 HydrophobicContact CB-CB 4.46Å; H10-V322 HydrophobicContact CB-CG1 4.38Å; H10-V322 PolarHBondContact N-O 2.89Å; V11-V322 HydrophobicContact CG1-CB 3.87Å; V11-V322 HydrophobicContact CG1-CG2 3.52Å; V11-V322 PolarHBondContact O-N 3.09Å; L13-V322 HydrophobicContact CD1-CG2 4.48Å; L13-V322 HydrophobicContact CD2-CG2 4.05Å; L13-V322 HydrophobicContact CG-CG2 4.06Å; I36-V322 HydrophobicContact CD1-CG1 4.04Å; I36-V322 HydrophobicContact CD1-CG2 3.61Å; M53-V322 HydrophobicContact CE-CG1 3.88Å; I314-V322 HydrophobicContact CD1-CG1 3.95Å; I314-V322 HydrophobicContact CG1-CG1 4.11Å; V316-V322 HydrophobicContact CG2-CG2 4.11Å |
| 323 | L | 94.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 138.5 | -171.4 | -56.7 | 176.7 | 0 | 0 | 0 | 110 | F7 Q8 E9 I314 G315 Q321 | F7-L323 HydrophobicContact CE2-CB 4.13Å; F7-L323 HydrophobicContact CE2-CD1 4.26Å; F7-L323 HydrophobicContact CE2-CD2 4.24Å; F7-L323 HydrophobicContact CE2-CG 4.44Å; F7-L323 HydrophobicContact CZ-CD1 4.15Å; F7-L323 HydrophobicContact CZ-CD2 3.77Å; F7-L323 HydrophobicContact CZ-CG 4.36Å; Q8-L323 WeakPolarHBondContact O-CA 3.35Å; E9-L323 HydrophobicContact CB-CD2 3.81Å; E9-L323 HydrophobicContact CG-CD2 3.9Å; I314-L323 CarbonylContact C-O 3.49Å; I314-L323 WeakPolarHBondContact CA-O 3.44Å; I314-L323 WeakPolarHBondContact CG1-O 3.34Å; G315-L323 PolarHBondContact N-O 3.22Å; G315-L323 PolarHBondContact O-N 3.18Å; Q321-L323 HydrophobicContact CB-CD1 4.43Å; Q321-L323 HydrophobicContact CB-CD2 3.96Å; Q321-L323 HydrophobicContact CB-CG 4.03Å |
| 324 | S | 93.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 149.9 | 168 | 75.6 | 0 | 0 | 0 | 0 | 112.8 | Q8 H10 I313 | Q8-S324 PolarHBondContact N-O 3.4Å; Q8-S324 PolarHBondContact O-N 2.79Å; H10-S324 WeakPolarHBondContact NE2-CB 3.39Å; H10-S324 PolarHBondContact NE2-OG 3.33Å; I313-S324 CarbonylContact O-C 3.45Å; I313-S324 VanDerWaalsContact O-CA 3.26Å; I313-S324 WeakPolarHBondContact O-CA 3.36Å |
| 325 | V | 93.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 127.5 | 173.1 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | I5 R6 F7 Y272 V280 I296 G312 I313 | I5-V325 HydrophobicContact CB-CG1 4.26Å; I5-V325 HydrophobicContact CD1-CG1 4.01Å; I5-V325 HydrophobicContact CG2-CG1 4.34Å; R6-V325 WeakPolarHBondContact O-CA 3.44Å; F7-V325 HydrophobicContact CD2-CG2 4Å; Y272-V325 HydrophobicContact CD1-CG1 4.41Å; Y272-V325 HydrophobicContact CE1-CG1 4.33Å; V280-V325 HydrophobicContact CG2-CG1 4.46Å; I296-V325 HydrophobicContact CD1-CG2 3.66Å; I296-V325 HydrophobicContact CG2-CG2 4.39Å; G312-V325 CarbonylContact C-O 3.59Å; G312-V325 VanDerWaalsContact CA-O 3.28Å; G312-V325 WeakPolarHBondContact CA-O 3.16Å; I313-V325 HydrophobicContact CG2-CB 4Å; I313-V325 PolarHBondContact N-O 3.26Å; I313-V325 PolarHBondContact O-N 3.21Å |
| 326 | S | 92.8 | Very high | 90.3 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 4% | 0.035 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 170.6 | 171 | 59.5 | 0 | 0 | 0 | 0 | 110.7 | I5 R6 T310 | I5-S326 CarbonylContact C-O 3.55Å; I5-S326 WeakPolarHBondContact CA-O 3.11Å; I5-S326 WeakPolarHBondContact CB-O 3.37Å; R6-S326 PolarHBondContact N-O 3Å; R6-S326 PolarHBondContact O-N 3.15Å; T310-S326 WeakPolarHBondContact OG1-CB 3.37Å; T310-S326 PolarHBondContact OG1-OG 2.84Å |
| 327 | I | 91.2 | Very high | 89.9 | Confident | 11 Ų | 11 | 37 Ų | 37 | 6% | 0.056 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 140.1 | 175.7 | -63.1 | 136.9 | 0 | 0 | 0 | 109.4 | H268 I270 Y272 L282 E329 M332 | H268-I327 HydrophobicContact CB-CD1 3.61Å; I270-I327 HydrophobicContact CB-CD1 4.01Å; I270-I327 HydrophobicContact CD1-CD1 3.26Å; I270-I327 HydrophobicContact CD1-CG1 3.87Å; I270-I327 HydrophobicContact CG1-CD1 4.1Å; I270-I327 HydrophobicContact CG2-CD1 4.23Å; Y272-I327 VanDerWaalsContact OH-CD1 3.23Å; Y272-I327 WeakPolarHBondContact OH-CD1 3.29Å; Y272-I327 WeakPolarHBondContact OH-CG1 3.32Å; Y272-I327 PolarHBondContact OH-N 3.34Å; L282-I327 HydrophobicContact CD2-CG1 4.24Å; I327-E329 PolarHBondContact O-N 3.05Å; I327-M332 HydrophobicContact CG1-CE 4.39Å; I327-M332 HydrophobicContact CG2-CB 3.7Å; I327-M332 HydrophobicContact CG2-CE 4.23Å; I327-M332 HydrophobicContact CG2-CG 3.69Å; I327-M332 HydrophobicContact CG2-SD 3.78Å |
| 328 | D | 90.7 | Very high | 89.6 | Confident | 45 Ų | 45 | 42.4 Ų | 42.4 | 24% | 0.241 | 20% | 0.199 | C | C | . | . | trans | -86.1 | 100 | 164.6 | -176.5 | -8.6 | 0 | 0 | 0 | 109.2 | P4 K330 N331 M332 | P4-D328 PolarHBondContact O-N 3.3Å; D328-K330 PolarHBondContact O-N 3.1Å; D328-K330 PolarHBondContact OD1-N 3.36Å; D328-K330 VanDerWaalsContact OD1-N 3.09Å; D328-N331 HydrophobicContact CB-CB 4.33Å; D328-N331 PolarHBondContact O-N 3.45Å; D328-N331 PolarHBondContact OD2-ND2 2.96Å; D328-M332 WeakPolarHBondContact O-CB 3.44Å; D328-M332 PolarHBondContact O-N 3.29Å | ||
| 329 | E | 85.7 | Confident | 89.4 | Confident | 67 Ų | 67 | 37.2 Ų | 37.2 | 31% | 0.313 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -27.3 | -177.6 | -65 | -176.3 | -178.8 | 0 | 0 | 113.4 | K267 H268 I327 L355 P356 | K267-E329 IonicContact NZ-OE1 2.86Å; K267-E329 PolarHBondContact NZ-OE1 2.94Å; H268-E329 IonicContact NE2-OE1 2.76Å; I327-E329 PolarHBondContact O-N 3.05Å; E329-L355 HydrophobicContact CB-CD2 3.77Å; E329-L355 HydrophobicContact CG-CD2 3.71Å; E329-P356 VanDerWaalsContact O-CD 3.32Å; E329-P356 WeakPolarHBondContact O-CD 3.12Å; E329-P356 WeakPolarHBondContact O-CG 3.49Å |
| 330 | K | 85.7 | Confident | 89.3 | Confident | 155 Ų | 155 | 34.7 Ų | 34.7 | 67% | 0.674 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -36.8 | 179.5 | -65.9 | -177.1 | -178.9 | 179.5 | 0 | 113.2 | D328 P334 | D328-K330 PolarHBondContact O-N 3.1Å; D328-K330 PolarHBondContact OD1-N 3.36Å; D328-K330 VanDerWaalsContact OD1-N 3.09Å; K330-P334 WeakPolarHBondContact O-CD 3.37Å |
| 331 | N | 88.3 | Confident | 89.1 | Confident | 51 Ų | 51 | 42.5 Ų | 42.5 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -14.1 | -171.2 | -71.6 | -45.2 | 0 | 0 | 0 | 113.4 | A2 L3 D328 P334 Y335 | A2-N331 HydrophobicContact CB-CB 4.19Å; L3-N331 WeakPolarHBondContact O-CB 3.41Å; D328-N331 HydrophobicContact CB-CB 4.33Å; D328-N331 PolarHBondContact O-N 3.45Å; D328-N331 PolarHBondContact OD2-ND2 2.96Å; N331-P334 WeakPolarHBondContact O-CD 3.5Å; N331-Y335 WeakPolarHBondContact O-CB 3.3Å; N331-Y335 PolarHBondContact O-N 3.21Å |
| 332 | M | 88.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.5 | -56 | -178.5 | -173.9 | 62.3 | 161.8 | 0 | 0 | 113.3 | P4 I270 I291 I327 D328 Y335 I336 L349 L355 | P4-M332 HydrophobicContact CB-SD 3.77Å; I270-M332 HydrophobicContact CD1-CE 3.35Å; I291-M332 HydrophobicContact CB-CE 4.46Å; I291-M332 HydrophobicContact CD1-CE 3.38Å; I291-M332 HydrophobicContact CG1-CE 4.44Å; I291-M332 HydrophobicContact CG2-CE 3.71Å; I291-M332 HydrophobicContact CG2-SD 4.01Å; I327-M332 HydrophobicContact CG1-CE 4.39Å; I327-M332 HydrophobicContact CG2-CB 3.7Å; I327-M332 HydrophobicContact CG2-CE 4.23Å; I327-M332 HydrophobicContact CG2-CG 3.69Å; I327-M332 HydrophobicContact CG2-SD 3.78Å; D328-M332 WeakPolarHBondContact O-CB 3.44Å; D328-M332 PolarHBondContact O-N 3.29Å; M332-Y335 PolarHBondContact O-N 2.9Å; M332-I336 HydrophobicContact CE-CD1 4.14Å; M332-I336 HydrophobicContact CG-CD1 4.12Å; M332-I336 VanDerWaalsContact O-CG1 3.31Å; M332-I336 WeakPolarHBondContact O-CG1 3.48Å; M332-I336 PolarHBondContact O-N 3.18Å; M332-I336 HydrophobicContact SD-CD1 4.29Å; M332-L349 HydrophobicContact CE-CD2 3.59Å; M332-L349 HydrophobicContact CG-CD2 3.7Å; M332-L355 HydrophobicContact CB-CD1 4.48Å; M332-L355 HydrophobicContact CG-CD1 4.29Å |
| 333 | I | 88.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66 | -48.8 | -178.2 | -58.8 | -56.5 | 0 | 0 | 0 | 111.4 | Y335 I336 T337 A346 L349 A350 L355 P356 A358 | I333-Y335 PolarHBondContact O-N 3.3Å; I333-I336 PolarHBondContact O-N 3.33Å; I333-I336 VanDerWaalsContact O-N 3.14Å; I333-T337 PolarHBondContact O-N 3.02Å; I333-T337 PolarHBondContact O-OG1 3.34Å; I333-T337 VanDerWaalsContact O-OG1 3.08Å; I333-A346 HydrophobicContact CG2-CB 4.21Å; I333-L349 HydrophobicContact CD1-CB 4.02Å; I333-L349 HydrophobicContact CD1-CD2 4.05Å; I333-L349 HydrophobicContact CD1-CG 4.32Å; I333-A350 HydrophobicContact CD1-CB 3.98Å; I333-A350 HydrophobicContact CG1-CB 4.21Å; I333-L355 HydrophobicContact CD1-CB 4.26Å; I333-L355 HydrophobicContact CD1-CD1 4.12Å; I333-L355 HydrophobicContact CG1-CB 3.78Å; I333-L355 HydrophobicContact CG1-CD1 4.33Å; I333-P356 WeakPolarHBondContact CB-O 3.27Å; I333-P356 WeakPolarHBondContact CG1-O 3.26Å; I333-A358 HydrophobicContact CG2-CB 3.85Å |
| 334 | P | 85.3 | Confident | 87.7 | Confident | 40 Ų | 40 | 52.9 Ų | 52.9 | 26% | 0.26 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -55.4 | -36.6 | 173.7 | -27.3 | 35.1 | 0 | 0 | 0 | 113.7 | K330 N331 N338 | K330-P334 WeakPolarHBondContact O-CD 3.37Å; N331-P334 WeakPolarHBondContact O-CD 3.5Å; P334-N338 VanDerWaalsContact O-CB 3.24Å; P334-N338 WeakPolarHBondContact O-CB 3.39Å; P334-N338 PolarHBondContact O-N 2.95Å; P334-N338 PolarHBondContact O-ND2 2.94Å |
| 335 | Y | 88.4 | Confident | 87.3 | Confident | 38 Ų | 38 | 53 Ų | 53 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.5 | -46.1 | 177.1 | -178.6 | -87.1 | 0 | 0 | 0 | 111.7 | P4 I291 N331 M332 I333 T339 L340 | P4-Y335 HydrophobicContact CB-CD1 3.86Å; P4-Y335 HydrophobicContact CB-CD2 4.35Å; P4-Y335 HydrophobicContact CB-CE1 4.47Å; P4-Y335 HydrophobicContact CB-CG 3.8Å; P4-Y335 HydrophobicContact CG-CD1 3.76Å; P4-Y335 HydrophobicContact CG-CD2 4.04Å; P4-Y335 HydrophobicContact CG-CE1 3.88Å; P4-Y335 HydrophobicContact CG-CE2 4.13Å; P4-Y335 HydrophobicContact CG-CG 3.85Å; I291-Y335 WeakPolarHBondContact O-CE1 3.38Å; N331-Y335 WeakPolarHBondContact O-CB 3.3Å; N331-Y335 PolarHBondContact O-N 3.21Å; M332-Y335 PolarHBondContact O-N 2.9Å; I333-Y335 PolarHBondContact O-N 3.3Å; Y335-T339 HydrophobicContact CD2-CG2 4.42Å; Y335-T339 HydrophobicContact CE2-CG2 3.87Å; Y335-T339 WeakPolarHBondContact O-CA 3.46Å; Y335-T339 WeakPolarHBondContact O-CB 3.45Å; Y335-T339 PolarHBondContact O-N 3.28Å; Y335-T339 PolarHBondContact O-OG1 3.01Å; Y335-L340 HydrophobicContact CD1-CD1 4.43Å; Y335-L340 HydrophobicContact CD1-CG 4.35Å; Y335-L340 HydrophobicContact CE1-CD1 4.22Å; Y335-L340 HydrophobicContact CE1-CD2 4.31Å; Y335-L340 HydrophobicContact CE1-CG 3.98Å; Y335-L340 PolarHBondContact O-N 3.34Å |
| 336 | I | 87.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.1 | -44 | 177.5 | -63.8 | 166.6 | 0 | 0 | 0 | 110.7 | I291 M332 I333 L340 Q341 N342 L345 A346 L349 | I291-I336 HydrophobicContact CG2-CG1 4.15Å; M332-I336 HydrophobicContact CE-CD1 4.14Å; M332-I336 HydrophobicContact CG-CD1 4.12Å; M332-I336 VanDerWaalsContact O-CG1 3.31Å; M332-I336 WeakPolarHBondContact O-CG1 3.48Å; M332-I336 PolarHBondContact O-N 3.18Å; M332-I336 HydrophobicContact SD-CD1 4.29Å; I333-I336 PolarHBondContact O-N 3.33Å; I333-I336 VanDerWaalsContact O-N 3.14Å; I336-L340 HydrophobicContact CB-CD1 4.47Å; I336-L340 HydrophobicContact CG1-CD1 4.13Å; I336-L340 HydrophobicContact CG2-CD1 4.46Å; I336-L340 CarbonylContact O-C 3.56Å; I336-L340 WeakPolarHBondContact O-CB 3.39Å; I336-L340 PolarHBondContact O-N 2.69Å; I336-Q341 PolarHBondContact O-N 3.48Å; I336-Q341 VanDerWaalsContact O-N 3.11Å; I336-N342 HydrophobicContact CG2-CB 4.25Å; I336-N342 VanDerWaalsContact CG2-O 3.3Å; I336-N342 WeakPolarHBondContact CG2-O 3.49Å; I336-N342 PolarHBondContact O-N 2.86Å; I336-L345 HydrophobicContact CD1-CD2 4.42Å; I336-L345 HydrophobicContact CD1-CG 4.37Å; I336-L345 HydrophobicContact CG2-CB 4.05Å; I336-L345 HydrophobicContact CG2-CD2 4.03Å; I336-L345 HydrophobicContact CG2-CG 4.06Å; I336-A346 HydrophobicContact CB-CB 4.41Å; I336-A346 HydrophobicContact CG2-CB 3.99Å; I336-L349 HydrophobicContact CD1-CD2 3.57Å |
| 337 | T | 85 | Confident | 86.3 | Confident | 27 Ų | 27 | 54.7 Ų | 54.7 | 17% | 0.166 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.8 | -47.1 | -179 | -55.7 | 0 | 0 | 0 | 0 | 112.2 | I333 Q341 T343 A346 L361 | I333-T337 PolarHBondContact O-N 3.02Å; I333-T337 PolarHBondContact O-OG1 3.34Å; I333-T337 VanDerWaalsContact O-OG1 3.08Å; T337-Q341 WeakPolarHBondContact O-CA 3.26Å; T337-T343 HydrophobicContact CG2-CG2 4.37Å; T337-A346 WeakPolarHBondContact OG1-CB 3.29Å; T337-L361 HydrophobicContact CG2-CD1 4.36Å |
| 338 | N | 86.1 | Confident | 85.9 | Confident | 114 Ų | 114 | 55.5 Ų | 55.5 | 61% | 0.61 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -92.8 | -35.6 | -170.4 | -61.6 | -33.8 | 0 | 0 | 0 | 113.4 | P334 | P334-N338 VanDerWaalsContact O-CB 3.24Å; P334-N338 WeakPolarHBondContact O-CB 3.39Å; P334-N338 PolarHBondContact O-N 2.95Å; P334-N338 PolarHBondContact O-ND2 2.94Å |
| 339 | T | 85.3 | Confident | 85.5 | Confident | 54 Ų | 54 | 53.4 Ų | 53.4 | 33% | 0.331 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -48.8 | -173.9 | -44.4 | 0 | 0 | 0 | 0 | 111.4 | M1 Y335 Q341 | M1-T339 HydrophobicContact SD-CG2 4.16Å; Y335-T339 HydrophobicContact CD2-CG2 4.42Å; Y335-T339 HydrophobicContact CE2-CG2 3.87Å; Y335-T339 WeakPolarHBondContact O-CA 3.46Å; Y335-T339 WeakPolarHBondContact O-CB 3.45Å; Y335-T339 PolarHBondContact O-N 3.28Å; Y335-T339 PolarHBondContact O-OG1 3.01Å; T339-Q341 VanDerWaalsContact C-N 3.32Å |
| 340 | L | 85.9 | Confident | 85.4 | Confident | 61 Ų | 61 | 50.2 Ų | 50.2 | 32% | 0.319 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -81.1 | -13.6 | 176.1 | -59.8 | 176.1 | 0 | 0 | 0 | 112.9 | I291 Y335 I336 N342 | I291-L340 HydrophobicContact CG2-CD1 4.09Å; Y335-L340 HydrophobicContact CD1-CD1 4.43Å; Y335-L340 HydrophobicContact CD1-CG 4.35Å; Y335-L340 HydrophobicContact CE1-CD1 4.22Å; Y335-L340 HydrophobicContact CE1-CD2 4.31Å; Y335-L340 HydrophobicContact CE1-CG 3.98Å; Y335-L340 PolarHBondContact O-N 3.34Å; I336-L340 HydrophobicContact CB-CD1 4.47Å; I336-L340 HydrophobicContact CG1-CD1 4.13Å; I336-L340 HydrophobicContact CG2-CD1 4.46Å; I336-L340 CarbonylContact O-C 3.56Å; I336-L340 WeakPolarHBondContact O-CB 3.39Å; I336-L340 PolarHBondContact O-N 2.69Å; L340-N342 HydrophobicContact CB-CB 4.42Å; L340-N342 PolarHBondContact O-N 3.34Å; L340-N342 VanDerWaalsContact O-N 3.14Å |
| 341 | Q | 86.5 | Confident | 85.2 | Confident | 164 Ų | 164 | 44.6 Ų | 44.6 | 77% | 0.766 | 24% | 0.235 | S | C | * | . | trans | 51.8 | 32.7 | -176 | -61 | -176 | -9.1 | 0 | 0 | 113.3 | I336 T337 T339 | I336-Q341 PolarHBondContact O-N 3.48Å; I336-Q341 VanDerWaalsContact O-N 3.11Å; T337-Q341 WeakPolarHBondContact O-CA 3.26Å; T339-Q341 VanDerWaalsContact C-N 3.32Å | ||
| 342 | N | 86.4 | Confident | 84.9 | Confident | 46 Ų | 46 | 44.3 Ų | 44.3 | 25% | 0.246 | 23% | 0.23 | C | C | . | . | trans | -111.1 | 83.2 | -177.9 | -170.2 | -22.4 | 0 | 0 | 0 | 110.7 | I336 L340 E344 L345 A346 | I336-N342 HydrophobicContact CG2-CB 4.25Å; I336-N342 VanDerWaalsContact CG2-O 3.3Å; I336-N342 WeakPolarHBondContact CG2-O 3.49Å; I336-N342 PolarHBondContact O-N 2.86Å; L340-N342 HydrophobicContact CB-CB 4.42Å; L340-N342 PolarHBondContact O-N 3.34Å; L340-N342 VanDerWaalsContact O-N 3.14Å; N342-E344 VanDerWaalsContact C-N 3.3Å; N342-E344 PolarHBondContact O-N 3.23Å; N342-E344 PolarHBondContact OD1-N 2.96Å; N342-L345 HydrophobicContact CB-CB 4.29Å; N342-L345 WeakPolarHBondContact OD1-CB 3.46Å; N342-L345 PolarHBondContact OD1-N 3.22Å; N342-A346 PolarHBondContact O-N 2.97Å | ||
| 343 | T | 82.8 | Confident | 84.6 | Confident | 70 Ų | 70 | 45.4 Ų | 45.4 | 43% | 0.429 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.6 | -31.3 | -178.3 | 43.7 | 0 | 0 | 0 | 0 | 113.4 | T337 A346 F347 | T337-T343 HydrophobicContact CG2-CG2 4.37Å; T343-A346 PolarHBondContact O-N 3.33Å; T343-F347 WeakPolarHBondContact O-CD2 3.3Å; T343-F347 PolarHBondContact O-N 3.46Å |
| 344 | E | 83.6 | Confident | 84.1 | Confident | 158 Ų | 158 | 49.7 Ų | 49.7 | 74% | 0.738 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -66.9 | -46.4 | 179.5 | -67.6 | -172.6 | 166.5 | 0 | 0 | 111.7 | N342 A346 F347 S348 | N342-E344 VanDerWaalsContact C-N 3.3Å; N342-E344 PolarHBondContact O-N 3.23Å; N342-E344 PolarHBondContact OD1-N 2.96Å; E344-A346 VanDerWaalsContact C-N 3.29Å; E344-A346 PolarHBondContact O-N 3.19Å; E344-F347 PolarHBondContact O-N 3.46Å; E344-S348 PolarHBondContact O-N 3.16Å; E344-S348 PolarHBondContact O-OG 3.15Å |
| 345 | L | 85.4 | Confident | 84 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63 | -37.4 | 174.6 | 180 | 62.3 | 0 | 0 | 0 | 111.7 | D284 T289 I336 N342 F347 S348 L349 | D284-L345 HydrophobicContact CB-CD1 4.07Å; D284-L345 WeakPolarHBondContact OD2-CD1 3.35Å; T289-L345 HydrophobicContact CG2-CD2 4.1Å; I336-L345 HydrophobicContact CD1-CD2 4.42Å; I336-L345 HydrophobicContact CD1-CG 4.37Å; I336-L345 HydrophobicContact CG2-CB 4.05Å; I336-L345 HydrophobicContact CG2-CD2 4.03Å; I336-L345 HydrophobicContact CG2-CG 4.06Å; N342-L345 HydrophobicContact CB-CB 4.29Å; N342-L345 WeakPolarHBondContact OD1-CB 3.46Å; N342-L345 PolarHBondContact OD1-N 3.22Å; L345-F347 VanDerWaalsContact C-N 3.34Å; L345-S348 PolarHBondContact O-N 3.45Å; L345-S348 PolarHBondContact O-OG 2.89Å; L345-L349 WeakPolarHBondContact O-CB 3.48Å; L345-L349 PolarHBondContact O-N 3.18Å |
| 346 | A | 84.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.8 | -42.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I333 I336 T337 N342 T343 E344 A350 | I333-A346 HydrophobicContact CG2-CB 4.21Å; I336-A346 HydrophobicContact CB-CB 4.41Å; I336-A346 HydrophobicContact CG2-CB 3.99Å; T337-A346 WeakPolarHBondContact OG1-CB 3.29Å; N342-A346 PolarHBondContact O-N 2.97Å; T343-A346 PolarHBondContact O-N 3.33Å; E344-A346 VanDerWaalsContact C-N 3.29Å; E344-A346 PolarHBondContact O-N 3.19Å; A346-A350 WeakPolarHBondContact O-CB 3.03Å; A346-A350 PolarHBondContact O-N 3.41Å |
| 347 | F | 81.3 | Confident | 83.1 | Confident | 42 Ų | 42 | 48 Ų | 48 | 18% | 0.184 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.4 | -51.2 | 174.9 | -86.3 | -67.5 | 0 | 0 | 0 | 112.1 | T343 E344 L345 L349 A350 V351 L361 F362 K365 | T343-F347 WeakPolarHBondContact O-CD2 3.3Å; T343-F347 PolarHBondContact O-N 3.46Å; E344-F347 PolarHBondContact O-N 3.46Å; L345-F347 VanDerWaalsContact C-N 3.34Å; F347-L349 PolarHBondContact O-N 3.49Å; F347-A350 PolarHBondContact O-N 3.23Å; F347-V351 WeakPolarHBondContact O-CG2 3.31Å; F347-V351 PolarHBondContact O-N 3.02Å; F347-L361 HydrophobicContact CE1-CB 3.9Å; F347-L361 HydrophobicContact CE2-CB 4.39Å; F347-L361 HydrophobicContact CZ-CB 3.61Å; F347-F362 HydrophobicContact CD1-CD2 4.47Å; F347-F362 HydrophobicContact CD1-CE1 4.03Å; F347-F362 AromaticContact CD1-CE2 3.92Å; F347-F362 HydrophobicContact CD1-CE2 3.92Å; F347-F362 AromaticContact CD1-CZ 3.66Å; F347-F362 HydrophobicContact CD1-CZ 3.66Å; F347-F362 HydrophobicContact CE1-CD1 4.37Å; F347-F362 HydrophobicContact CE1-CD2 4.29Å; F347-F362 HydrophobicContact CE1-CE1 4.29Å; F347-F362 HydrophobicContact CE1-CE2 4.19Å; F347-F362 HydrophobicContact CE1-CG 4.35Å; F347-F362 HydrophobicContact CE1-CZ 4.17Å; F347-K365 HydrophobicContact CE1-CD 4.18Å; F347-K365 HydrophobicContact CZ-CD 4.13Å |
| 348 | S | 82.4 | Confident | 82.7 | Confident | 29 Ų | 29 | 46.8 Ų | 46.8 | 20% | 0.203 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.2 | -46.4 | -176.7 | 63.7 | 0 | 0 | 0 | 0 | 111.4 | E344 L345 A350 V351 R352 | E344-S348 PolarHBondContact O-N 3.16Å; E344-S348 PolarHBondContact O-OG 3.15Å; L345-S348 PolarHBondContact O-N 3.45Å; L345-S348 PolarHBondContact O-OG 2.89Å; S348-A350 PolarHBondContact O-N 2.93Å; S348-V351 PolarHBondContact O-N 3.31Å; S348-R352 WeakPolarHBondContact O-CB 3.41Å; S348-R352 PolarHBondContact O-N 3.02Å |
| 349 | L | 83.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.5 | -37.8 | 180 | -162.5 | 74.6 | 0 | 0 | 0 | 112.1 | I270 M332 I333 I336 L345 F347 C353 L355 | I270-L349 HydrophobicContact CD1-CD1 4.34Å; I270-L349 HydrophobicContact CD1-CD2 4.49Å; M332-L349 HydrophobicContact CE-CD2 3.59Å; M332-L349 HydrophobicContact CG-CD2 3.7Å; I333-L349 HydrophobicContact CD1-CB 4.02Å; I333-L349 HydrophobicContact CD1-CD2 4.05Å; I333-L349 HydrophobicContact CD1-CG 4.32Å; I336-L349 HydrophobicContact CD1-CD2 3.57Å; L345-L349 WeakPolarHBondContact O-CB 3.48Å; L345-L349 PolarHBondContact O-N 3.18Å; F347-L349 PolarHBondContact O-N 3.49Å; L349-C353 WeakPolarHBondContact O-CB 3.45Å; L349-C353 PolarHBondContact O-N 2.52Å; L349-L355 HydrophobicContact CD2-CD1 4.01Å; L349-L355 HydrophobicContact CG-CD1 4.01Å |
| 350 | A | 83.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I333 A346 F347 S348 N354 L355 A358 F362 P386 | I333-A350 HydrophobicContact CD1-CB 3.98Å; I333-A350 HydrophobicContact CG1-CB 4.21Å; A346-A350 WeakPolarHBondContact O-CB 3.03Å; A346-A350 PolarHBondContact O-N 3.41Å; F347-A350 PolarHBondContact O-N 3.23Å; S348-A350 PolarHBondContact O-N 2.93Å; A350-N354 WeakPolarHBondContact O-CA 3.41Å; A350-N354 PolarHBondContact O-N 3.41Å; A350-L355 PolarHBondContact O-N 2.94Å; A350-A358 HydrophobicContact CB-CB 3.9Å; A350-F362 HydrophobicContact CB-CE2 4.14Å; A350-P386 HydrophobicContact CB-CG 3.92Å; A350-P386 WeakPolarHBondContact O-CG 3.44Å |
| 351 | V | 80.5 | Confident | 81.7 | Confident | 37 Ų | 37 | 48.1 Ų | 48.1 | 22% | 0.224 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.6 | -51.6 | 175.6 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | F347 S348 C353 F362 C384 | F347-V351 WeakPolarHBondContact O-CG2 3.31Å; F347-V351 PolarHBondContact O-N 3.02Å; S348-V351 PolarHBondContact O-N 3.31Å; V351-C353 VanDerWaalsContact C-N 3.32Å; V351-C353 PolarHBondContact O-N 2.89Å; V351-F362 HydrophobicContact CG2-CE1 3.74Å; V351-F362 HydrophobicContact CG2-CZ 3.46Å; V351-F362 VanDerWaalsContact CG2-CZ 3.46Å; V351-C384 HydrophobicContact CG1-CB 4.27Å |
| 352 | R | 82.9 | Confident | 81.5 | Confident | 46 Ų | 46 | 40.7 Ų | 40.7 | 17% | 0.174 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.4 | -38.9 | -173 | -170 | 178.6 | 73.5 | -160.4 | 7.6 | 112.3 | H268 G269 D284 E286 S348 | H268-R352 PolarHBondContact O-NH2 3.33Å; G269-R352 PolarHBondContact O-NH2 3.16Å; D284-R352 IonicContact OD1-CZ 3.83Å; D284-R352 IonicContact OD1-NH1 2.89Å; D284-R352 PolarHBondContact OD1-NH1 2.86Å; D284-R352 IonicContact OD1-NH2 3.23Å; D284-R352 PolarHBondContact OD1-NH2 2.85Å; E286-R352 VanDerWaalsContact CB-NH1 3.3Å; E286-R352 IonicContact OE2-CZ 3.04Å; E286-R352 IonicContact OE2-NH1 2.73Å; E286-R352 PolarHBondContact OE2-NH1 3.46Å; S348-R352 WeakPolarHBondContact O-CB 3.41Å; S348-R352 PolarHBondContact O-N 3.02Å |
| 353 | C | 80.5 | Confident | 81.3 | Confident | 23 Ų | 23 | 40.8 Ų | 40.8 | 16% | 0.155 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -111.7 | 6.6 | -173.8 | -58.6 | 0 | 0 | 0 | 0 | 114 | H268 L349 V351 L355 | H268-C353 VanDerWaalsContact CA-SG 3.59Å; H268-C353 PolarHBondContact O-SG 3.37Å; H268-C353 VanDerWaalsContact O-SG 3.34Å; L349-C353 WeakPolarHBondContact O-CB 3.45Å; L349-C353 PolarHBondContact O-N 2.52Å; V351-C353 VanDerWaalsContact C-N 3.32Å; V351-C353 PolarHBondContact O-N 2.89Å; C353-L355 VanDerWaalsContact C-N 3.28Å; C353-L355 HydrophobicContact CB-CD1 4.01Å; C353-L355 HydrophobicContact CB-CD2 4.33Å; C353-L355 HydrophobicContact CB-CG 3.76Å; C353-L355 PolarHBondContact O-N 3.47Å |
| 354 | N | 79.1 | Confident | 81.3 | Confident | 89 Ų | 89 | 45.5 Ų | 45.5 | 48% | 0.476 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 39 | -179.4 | -164.2 | 33.4 | 0 | 0 | 0 | 114.1 | A350 P386 R387 | A350-N354 WeakPolarHBondContact O-CA 3.41Å; A350-N354 PolarHBondContact O-N 3.41Å; N354-P386 WeakPolarHBondContact OD1-CA 3.46Å; N354-R387 PolarHBondContact OD1-N 3.38Å |
| 355 | L | 82.6 | Confident | 81.2 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | trans | -85.5 | 143.3 | -174.5 | -60.8 | 176.1 | 0 | 0 | 0 | 112.3 | E329 M332 I333 L349 A350 C353 | E329-L355 HydrophobicContact CB-CD2 3.77Å; E329-L355 HydrophobicContact CG-CD2 3.71Å; M332-L355 HydrophobicContact CB-CD1 4.48Å; M332-L355 HydrophobicContact CG-CD1 4.29Å; I333-L355 HydrophobicContact CD1-CB 4.26Å; I333-L355 HydrophobicContact CD1-CD1 4.12Å; I333-L355 HydrophobicContact CG1-CB 3.78Å; I333-L355 HydrophobicContact CG1-CD1 4.33Å; L349-L355 HydrophobicContact CD2-CD1 4.01Å; L349-L355 HydrophobicContact CG-CD1 4.01Å; A350-L355 PolarHBondContact O-N 2.94Å; C353-L355 VanDerWaalsContact C-N 3.28Å; C353-L355 HydrophobicContact CB-CD1 4.01Å; C353-L355 HydrophobicContact CB-CD2 4.33Å; C353-L355 HydrophobicContact CB-CG 3.76Å; C353-L355 PolarHBondContact O-N 3.47Å | ||
| 356 | P | 80 | Confident | 81.3 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 8% | 0.078 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -74.6 | 167.3 | 172.8 | 33.5 | -37.2 | 0 | 0 | 0 | 112.6 | E329 I333 E359 | E329-P356 VanDerWaalsContact O-CD 3.32Å; E329-P356 WeakPolarHBondContact O-CD 3.12Å; E329-P356 WeakPolarHBondContact O-CG 3.49Å; I333-P356 WeakPolarHBondContact CB-O 3.27Å; I333-P356 WeakPolarHBondContact CG1-O 3.26Å; P356-E359 WeakPolarHBondContact CA-OE1 3.4Å; P356-E359 WeakPolarHBondContact CB-OE1 3.39Å |
| 357 | G | 77 | Confident | 81.4 | Confident | 29 Ų | 29 | 46.8 Ų | 46.8 | 30% | 0.299 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 104.4 | -7.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | E359 | G357-E359 WeakPolarHBondContact CA-OE2 3.45Å; G357-E359 PolarHBondContact N-OE1 3.28Å; G357-E359 PolarHBondContact N-OE2 3.38Å |
| 358 | A | 77.7 | Confident | 81.7 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 2% | 0.017 | 25% | 0.249 | C | C | . | . | trans | -103.8 | 9.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I333 A350 E360 L361 F362 | I333-A358 HydrophobicContact CG2-CB 3.85Å; A350-A358 HydrophobicContact CB-CB 3.9Å; A358-E360 PolarHBondContact O-N 3.27Å; A358-L361 HydrophobicContact CB-CD1 4.39Å; A358-L361 WeakPolarHBondContact O-CB 3.2Å; A358-L361 PolarHBondContact O-N 3.4Å; A358-F362 HydrophobicContact CB-CD2 3.84Å; A358-F362 HydrophobicContact CB-CE2 3.63Å; A358-F362 VanDerWaalsContact O-CD2 3.28Å; A358-F362 WeakPolarHBondContact O-CD2 3.5Å; A358-F362 PolarHBondContact O-N 2.77Å; A358-F362 VanDerWaalsContact O-N 3.12Å | ||
| 359 | E | 79.4 | Confident | 81.9 | Confident | 70 Ų | 70 | 49.8 Ų | 49.8 | 33% | 0.327 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -50.9 | -55.6 | -170.2 | -68.1 | 83.8 | -176.3 | 0 | 0 | 112.9 | P356 G357 L361 F362 V363 I389 | P356-E359 WeakPolarHBondContact CA-OE1 3.4Å; P356-E359 WeakPolarHBondContact CB-OE1 3.39Å; G357-E359 WeakPolarHBondContact CA-OE2 3.45Å; G357-E359 PolarHBondContact N-OE1 3.28Å; G357-E359 PolarHBondContact N-OE2 3.38Å; E359-L361 VanDerWaalsContact C-N 3.26Å; E359-L361 PolarHBondContact O-N 3.2Å; E359-F362 PolarHBondContact O-N 3.5Å; E359-V363 WeakPolarHBondContact O-CG2 3.43Å; E359-V363 PolarHBondContact O-N 3.02Å; E359-V363 VanDerWaalsContact O-N 3.16Å; E359-I389 HydrophobicContact CB-CD1 3.43Å; E359-I389 VanDerWaalsContact CB-CD1 3.43Å; E359-I389 HydrophobicContact CG-CD1 3.17Å |
| 360 | E | 78.4 | Confident | 82 | Confident | 139 Ų | 139 | 51.8 Ų | 51.8 | 65% | 0.65 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.6 | -31.7 | 179.7 | -69.3 | -170.5 | 178.4 | 0 | 0 | 112.8 | A358 V363 R364 | A358-E360 PolarHBondContact O-N 3.27Å; E360-V363 PolarHBondContact O-N 3.24Å; E360-R364 WeakPolarHBondContact O-CG 3.37Å; E360-R364 PolarHBondContact O-N 2.8Å |
| 361 | L | 77.1 | Confident | 82.1 | Confident | 48 Ų | 48 | 55.8 Ų | 55.8 | 25% | 0.251 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 179.1 | -63.4 | 175.1 | 0 | 0 | 0 | 111.1 | T337 F347 A358 E359 K365 | T337-L361 HydrophobicContact CG2-CD1 4.36Å; F347-L361 HydrophobicContact CE1-CB 3.9Å; F347-L361 HydrophobicContact CE2-CB 4.39Å; F347-L361 HydrophobicContact CZ-CB 3.61Å; A358-L361 HydrophobicContact CB-CD1 4.39Å; A358-L361 WeakPolarHBondContact O-CB 3.2Å; A358-L361 PolarHBondContact O-N 3.4Å; E359-L361 VanDerWaalsContact C-N 3.26Å; E359-L361 PolarHBondContact O-N 3.2Å; L361-K365 WeakPolarHBondContact O-CB 3.26Å; L361-K365 PolarHBondContact O-N 3.17Å; L361-K365 VanDerWaalsContact O-N 3.11Å |
| 362 | F | 82.5 | Confident | 82.6 | Confident | 7 Ų | 7 | 58 Ų | 58 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.2 | -41.2 | 175 | -78.7 | -84.8 | 0 | 0 | 0 | 112.2 | F347 A350 V351 A358 E359 K365 F366 V381 A385 P386 L390 | F347-F362 HydrophobicContact CD1-CD2 4.47Å; F347-F362 HydrophobicContact CD1-CE1 4.03Å; F347-F362 AromaticContact CD1-CE2 3.92Å; F347-F362 HydrophobicContact CD1-CE2 3.92Å; F347-F362 AromaticContact CD1-CZ 3.66Å; F347-F362 HydrophobicContact CD1-CZ 3.66Å; F347-F362 HydrophobicContact CE1-CD1 4.37Å; F347-F362 HydrophobicContact CE1-CD2 4.29Å; F347-F362 HydrophobicContact CE1-CE1 4.29Å; F347-F362 HydrophobicContact CE1-CE2 4.19Å; F347-F362 HydrophobicContact CE1-CG 4.35Å; F347-F362 HydrophobicContact CE1-CZ 4.17Å; A350-F362 HydrophobicContact CB-CE2 4.14Å; V351-F362 HydrophobicContact CG2-CE1 3.74Å; V351-F362 HydrophobicContact CG2-CZ 3.46Å; V351-F362 VanDerWaalsContact CG2-CZ 3.46Å; A358-F362 HydrophobicContact CB-CD2 3.84Å; A358-F362 HydrophobicContact CB-CE2 3.63Å; A358-F362 VanDerWaalsContact O-CD2 3.28Å; A358-F362 WeakPolarHBondContact O-CD2 3.5Å; A358-F362 PolarHBondContact O-N 2.77Å; A358-F362 VanDerWaalsContact O-N 3.12Å; E359-F362 PolarHBondContact O-N 3.5Å; F362-K365 PolarHBondContact O-N 3.37Å; F362-F366 VanDerWaalsContact O-CB 3.31Å; F362-F366 WeakPolarHBondContact O-CB 3.43Å; F362-F366 PolarHBondContact O-N 3.38Å; F362-V381 HydrophobicContact CD1-CG1 4.06Å; F362-A385 HydrophobicContact CB-CB 4.21Å; F362-A385 HydrophobicContact CD1-CB 4Å; F362-A385 HydrophobicContact CG-CB 4.14Å; F362-P386 HydrophobicContact CD2-CG 4.24Å; F362-P386 HydrophobicContact CE2-CG 3.68Å; F362-P386 HydrophobicContact CZ-CG 4.06Å; F362-L390 HydrophobicContact CB-CD1 4.31Å |
| 363 | V | 82.8 | Confident | 82.5 | Confident | 48 Ų | 48 | 63.2 Ų | 63.2 | 29% | 0.291 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.3 | -50.6 | 177.6 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | E359 E360 K365 F366 E367 L390 | E359-V363 WeakPolarHBondContact O-CG2 3.43Å; E359-V363 PolarHBondContact O-N 3.02Å; E359-V363 VanDerWaalsContact O-N 3.16Å; E360-V363 PolarHBondContact O-N 3.24Å; V363-K365 VanDerWaalsContact C-N 3.34Å; V363-K365 PolarHBondContact O-N 3.16Å; V363-F366 PolarHBondContact O-N 3.03Å; V363-E367 HydrophobicContact CG1-CG 4.46Å; V363-E367 WeakPolarHBondContact O-CG 3.27Å; V363-E367 PolarHBondContact O-N 3.47Å; V363-L390 HydrophobicContact CG2-CD2 3.94Å |
| 364 | R | 83.3 | Confident | 82.7 | Confident | 170 Ų | 170 | 68.2 Ų | 68.2 | 64% | 0.642 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.2 | -42.6 | 178.2 | -72.5 | -177.5 | -174.3 | -177.1 | 6.4 | 112.4 | E360 E367 Q368 | E360-R364 WeakPolarHBondContact O-CG 3.37Å; E360-R364 PolarHBondContact O-N 2.8Å; R364-E367 PolarHBondContact O-N 2.97Å; R364-Q368 WeakPolarHBondContact O-CB 3.23Å; R364-Q368 PolarHBondContact O-N 3.48Å |
| 365 | K | 81.5 | Confident | 83 | Confident | 89 Ų | 89 | 66.9 Ų | 66.9 | 39% | 0.387 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 177.8 | -170.5 | 173.3 | -174.4 | 174.7 | 0 | 111.8 | F347 L361 F362 V363 L369 V381 | F347-K365 HydrophobicContact CE1-CD 4.18Å; F347-K365 HydrophobicContact CZ-CD 4.13Å; L361-K365 WeakPolarHBondContact O-CB 3.26Å; L361-K365 PolarHBondContact O-N 3.17Å; L361-K365 VanDerWaalsContact O-N 3.11Å; F362-K365 PolarHBondContact O-N 3.37Å; V363-K365 VanDerWaalsContact C-N 3.34Å; V363-K365 PolarHBondContact O-N 3.16Å; K365-L369 HydrophobicContact CG-CD1 4.18Å; K365-L369 WeakPolarHBondContact O-CB 3.18Å; K365-L369 VanDerWaalsContact O-CG 3.27Å; K365-L369 WeakPolarHBondContact O-CG 3.43Å; K365-L369 PolarHBondContact O-N 3.01Å; K365-V381 HydrophobicContact CD-CG2 4.37Å; K365-V381 HydrophobicContact CG-CG2 4.46Å |
| 366 | F | 86 | Confident | 82.9 | Confident | 3 Ų | 3 | 70.5 Ų | 70.5 | 1% | 0.013 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.1 | -48.1 | 174.5 | 174.8 | -97.9 | 0 | 0 | 0 | 111.4 | F362 V363 Q368 L369 F370 A378 V381 A382 L390 T395 K398 F399 | F362-F366 VanDerWaalsContact O-CB 3.31Å; F362-F366 WeakPolarHBondContact O-CB 3.43Å; F362-F366 PolarHBondContact O-N 3.38Å; V363-F366 PolarHBondContact O-N 3.03Å; F366-Q368 PolarHBondContact O-N 2.96Å; F366-L369 PolarHBondContact O-N 3.35Å; F366-F370 HydrophobicContact CE1-CD2 4.18Å; F366-F370 HydrophobicContact CE2-CD2 4.25Å; F366-F370 AromaticContact CZ-CD2 3.69Å; F366-F370 HydrophobicContact CZ-CD2 3.69Å; F366-F370 HydrophobicContact CZ-CE2 4.2Å; F366-F370 VanDerWaalsContact O-CB 3.25Å; F366-F370 WeakPolarHBondContact O-CB 3.43Å; F366-F370 PolarHBondContact O-N 3.1Å; F366-A378 HydrophobicContact CD2-CB 3.96Å; F366-A378 VanDerWaalsContact CD2-O 3.28Å; F366-A378 WeakPolarHBondContact CD2-O 3.19Å; F366-A378 HydrophobicContact CE2-CB 3.87Å; F366-A378 WeakPolarHBondContact CE2-O 3.35Å; F366-V381 HydrophobicContact CB-CG1 4.16Å; F366-A382 HydrophobicContact CD2-CB 3.86Å; F366-A382 HydrophobicContact CE2-CB 3.76Å; F366-L390 HydrophobicContact CB-CD1 3.58Å; F366-L390 HydrophobicContact CB-CD2 4.44Å; F366-L390 HydrophobicContact CD1-CD2 4.35Å; F366-L390 HydrophobicContact CD2-CD1 4.2Å; F366-L390 HydrophobicContact CG-CD1 3.91Å; F366-L390 HydrophobicContact CG-CD2 4.38Å; F366-T395 HydrophobicContact CE1-CG2 4.39Å; F366-T395 HydrophobicContact CE2-CG2 4.19Å; F366-T395 HydrophobicContact CZ-CG2 3.75Å; F366-K398 HydrophobicContact CE1-CD 4.19Å; F366-F399 AromaticContact CE2-CE2 3.98Å; F366-F399 HydrophobicContact CE2-CE2 3.98Å; F366-F399 AromaticContact CE2-CZ 3.89Å; F366-F399 HydrophobicContact CE2-CZ 3.89Å; F366-F399 HydrophobicContact CZ-CE2 4.08Å; F366-F399 HydrophobicContact CZ-CZ 4.22Å |
| 367 | E | 87.1 | Confident | 83 | Confident | 98 Ų | 98 | 74.1 Ų | 74.1 | 46% | 0.458 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 179.1 | -71.8 | -177.7 | 158.5 | 0 | 0 | 112.5 | V363 R364 F370 A371 K398 | V363-E367 HydrophobicContact CG1-CG 4.46Å; V363-E367 WeakPolarHBondContact O-CG 3.27Å; V363-E367 PolarHBondContact O-N 3.47Å; R364-E367 PolarHBondContact O-N 2.97Å; E367-F370 PolarHBondContact O-N 2.9Å; E367-A371 VanDerWaalsContact O-CB 3.3Å; E367-A371 WeakPolarHBondContact O-CB 3.38Å; E367-A371 PolarHBondContact O-N 3.44Å; E367-K398 IonicContact OE1-NZ 2.89Å |
| 368 | Q | 87.5 | Confident | 83.4 | Confident | 117 Ų | 117 | 72.7 Ų | 72.7 | 55% | 0.547 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.1 | -51 | 174.2 | -176.8 | -178.1 | -5.9 | 0 | 0 | 111.5 | R364 F366 F370 A371 E372 | R364-Q368 WeakPolarHBondContact O-CB 3.23Å; R364-Q368 PolarHBondContact O-N 3.48Å; F366-Q368 PolarHBondContact O-N 2.96Å; Q368-F370 VanDerWaalsContact C-N 3.29Å; Q368-F370 PolarHBondContact O-N 3.5Å; Q368-A371 PolarHBondContact O-N 3.49Å; Q368-E372 WeakPolarHBondContact CG-OE1 3.38Å; Q368-E372 PolarHBondContact NE2-OE1 3.15Å; Q368-E372 WeakPolarHBondContact O-CB 3.25Å; Q368-E372 WeakPolarHBondContact O-CG 3.24Å; Q368-E372 PolarHBondContact O-N 2.97Å |
| 369 | L | 86.7 | Confident | 83.6 | Confident | 17 Ų | 17 | 72.7 Ų | 72.7 | 9% | 0.089 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.4 | -36.3 | 179.6 | -71.6 | 170.8 | 0 | 0 | 0 | 112.3 | K365 F366 E372 K373 R374 E377 A378 V381 | K365-L369 HydrophobicContact CG-CD1 4.18Å; K365-L369 WeakPolarHBondContact O-CB 3.18Å; K365-L369 VanDerWaalsContact O-CG 3.27Å; K365-L369 WeakPolarHBondContact O-CG 3.43Å; K365-L369 PolarHBondContact O-N 3.01Å; F366-L369 PolarHBondContact O-N 3.35Å; L369-E372 PolarHBondContact O-N 2.74Å; L369-K373 PolarHBondContact O-N 2.87Å; L369-R374 HydrophobicContact CD2-CB 4.35Å; L369-R374 PolarHBondContact O-N 2.93Å; L369-E377 HydrophobicContact CD1-CB 4.06Å; L369-E377 HydrophobicContact CD2-CB 4.06Å; L369-E377 WeakPolarHBondContact CD2-OE2 3.32Å; L369-A378 HydrophobicContact CB-CB 3.9Å; L369-V381 HydrophobicContact CD1-CB 4.34Å; L369-V381 HydrophobicContact CD1-CG2 3.55Å |
| 370 | F | 85.9 | Confident | 83.7 | Confident | 42 Ų | 42 | 74.4 Ų | 74.4 | 18% | 0.184 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.3 | -41 | 176.6 | -156 | -81.8 | 0 | 0 | 0 | 111.3 | F366 E367 Q368 K373 Y375 A378 K398 F399 I402 | F366-F370 HydrophobicContact CE1-CD2 4.18Å; F366-F370 HydrophobicContact CE2-CD2 4.25Å; F366-F370 AromaticContact CZ-CD2 3.69Å; F366-F370 HydrophobicContact CZ-CD2 3.69Å; F366-F370 HydrophobicContact CZ-CE2 4.2Å; F366-F370 VanDerWaalsContact O-CB 3.25Å; F366-F370 WeakPolarHBondContact O-CB 3.43Å; F366-F370 PolarHBondContact O-N 3.1Å; E367-F370 PolarHBondContact O-N 2.9Å; Q368-F370 VanDerWaalsContact C-N 3.29Å; Q368-F370 PolarHBondContact O-N 3.5Å; F370-K373 PolarHBondContact O-N 3.02Å; F370-K373 VanDerWaalsContact O-N 3.17Å; F370-Y375 HydrophobicContact CD1-CE1 4.48Å; F370-Y375 HydrophobicContact CD2-CD1 4.35Å; F370-Y375 HydrophobicContact CE1-CE1 4.33Å; F370-Y375 HydrophobicContact CE2-CD1 4.27Å; F370-Y375 HydrophobicContact CZ-CD1 4.5Å; F370-Y375 HydrophobicContact CZ-CE1 4.38Å; F370-A378 HydrophobicContact CB-CB 4.5Å; F370-A378 HydrophobicContact CD2-CB 4.33Å; F370-K398 HydrophobicContact CE2-CB 4.09Å; F370-K398 HydrophobicContact CZ-CB 3.82Å; F370-F399 HydrophobicContact CE2-CD1 4.13Å; F370-F399 HydrophobicContact CE2-CE1 4.04Å; F370-F399 HydrophobicContact CE2-CZ 4.4Å; F370-I402 HydrophobicContact CE1-CD1 4.47Å; F370-I402 HydrophobicContact CE2-CD1 3.95Å; F370-I402 HydrophobicContact CZ-CD1 3.61Å; F370-I402 HydrophobicContact CZ-CG1 4.02Å |
| 371 | A | 86.5 | Confident | 83.9 | Confident | 83 Ų | 83 | 68.6 Ų | 68.6 | 69% | 0.686 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66.2 | -35.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E367 Q368 K373 | E367-A371 VanDerWaalsContact O-CB 3.3Å; E367-A371 WeakPolarHBondContact O-CB 3.38Å; E367-A371 PolarHBondContact O-N 3.44Å; Q368-A371 PolarHBondContact O-N 3.49Å; A371-K373 PolarHBondContact O-N 3.24Å |
| 372 | E | 89.3 | Confident | 84.2 | Confident | 83 Ų | 83 | 66.3 Ų | 66.3 | 39% | 0.388 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 4.5 | 173.5 | -70.1 | 177.1 | -160.5 | 0 | 0 | 113.6 | Q368 L369 R374 | Q368-E372 WeakPolarHBondContact CG-OE1 3.38Å; Q368-E372 PolarHBondContact NE2-OE1 3.15Å; Q368-E372 WeakPolarHBondContact O-CB 3.25Å; Q368-E372 WeakPolarHBondContact O-CG 3.24Å; Q368-E372 PolarHBondContact O-N 2.97Å; L369-E372 PolarHBondContact O-N 2.74Å; E372-R374 HydrophobicContact CB-CG 4.2Å; E372-R374 PolarHBondContact O-N 3.39Å; E372-R374 IonicContact OE2-CZ 2.92Å; E372-R374 IonicContact OE2-NE 3.07Å; E372-R374 PolarHBondContact OE2-NE 3.22Å; E372-R374 IonicContact OE2-NH2 3.36Å |
| 373 | K | 82.5 | Confident | 83.9 | Confident | 157 Ų | 157 | 66.6 Ų | 66.6 | 68% | 0.683 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 19.9 | -175.5 | -56.4 | -178.5 | 177.9 | -179.6 | 0 | 114.5 | L369 F370 A371 Y375 | L369-K373 PolarHBondContact O-N 2.87Å; F370-K373 PolarHBondContact O-N 3.02Å; F370-K373 VanDerWaalsContact O-N 3.17Å; A371-K373 PolarHBondContact O-N 3.24Å; K373-Y375 VanDerWaalsContact C-N 3.31Å; K373-Y375 HydrophobicContact CB-CE2 4.28Å; K373-Y375 PolarHBondContact O-N 3.01Å; K373-Y375 VanDerWaalsContact O-N 3.11Å |
| 374 | R | 84.1 | Confident | 83.6 | Confident | 128 Ų | 128 | 65.6 Ų | 65.6 | 48% | 0.483 | 31% | 0.309 | S | S | . | . | trans | -87.9 | 66.6 | 177.1 | -61.4 | -169.8 | -171.7 | -175.1 | 4.9 | 111 | L369 E372 N376 E377 A378 | L369-R374 HydrophobicContact CD2-CB 4.35Å; L369-R374 PolarHBondContact O-N 2.93Å; E372-R374 HydrophobicContact CB-CG 4.2Å; E372-R374 PolarHBondContact O-N 3.39Å; E372-R374 IonicContact OE2-CZ 2.92Å; E372-R374 IonicContact OE2-NE 3.07Å; E372-R374 PolarHBondContact OE2-NE 3.22Å; E372-R374 IonicContact OE2-NH2 3.36Å; R374-N376 VanDerWaalsContact C-N 3.33Å; R374-N376 PolarHBondContact O-N 3.1Å; R374-E377 HydrophobicContact CB-CB 4.24Å; R374-E377 WeakPolarHBondContact CD-OE2 3.42Å; R374-E377 IonicContact NH1-OE2 2.64Å; R374-E377 PolarHBondContact NH1-OE2 3.29Å; R374-E377 PolarHBondContact O-N 3.24Å; R374-A378 PolarHBondContact O-N 3.32Å | ||
| 375 | Y | 84.4 | Confident | 83.3 | Confident | 61 Ų | 61 | 57.8 Ų | 57.8 | 24% | 0.239 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.7 | -34.1 | -170.4 | -52.8 | -57 | 0 | 0 | 0 | 114.3 | F370 K373 A378 A379 I402 P412 | F370-Y375 HydrophobicContact CD1-CE1 4.48Å; F370-Y375 HydrophobicContact CD2-CD1 4.35Å; F370-Y375 HydrophobicContact CE1-CE1 4.33Å; F370-Y375 HydrophobicContact CE2-CD1 4.27Å; F370-Y375 HydrophobicContact CZ-CD1 4.5Å; F370-Y375 HydrophobicContact CZ-CE1 4.38Å; K373-Y375 VanDerWaalsContact C-N 3.31Å; K373-Y375 HydrophobicContact CB-CE2 4.28Å; K373-Y375 PolarHBondContact O-N 3.01Å; K373-Y375 VanDerWaalsContact O-N 3.11Å; Y375-A378 PolarHBondContact O-N 3.13Å; Y375-A379 WeakPolarHBondContact O-CB 3.45Å; Y375-A379 PolarHBondContact O-N 3.18Å; Y375-I402 HydrophobicContact CD1-CD1 3.48Å; Y375-I402 VanDerWaalsContact CD1-CD1 3.48Å; Y375-I402 HydrophobicContact CD2-CD1 4.4Å; Y375-I402 HydrophobicContact CE1-CD1 3.54Å; Y375-I402 HydrophobicContact CE1-CG1 4.21Å; Y375-I402 HydrophobicContact CE2-CD1 4.43Å; Y375-I402 HydrophobicContact CE2-CG2 4.06Å; Y375-I402 HydrophobicContact CG-CD1 3.93Å; Y375-P412 HydrophobicContact CD2-CG 4.49Å |
| 376 | N | 81.7 | Confident | 82.7 | Confident | 77 Ų | 77 | 54.1 Ų | 54.1 | 41% | 0.412 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 177.5 | -169.2 | -9.8 | 0 | 0 | 0 | 111.5 | R374 A379 K380 | R374-N376 VanDerWaalsContact C-N 3.33Å; R374-N376 PolarHBondContact O-N 3.1Å; N376-A379 PolarHBondContact O-N 2.94Å; N376-K380 WeakPolarHBondContact O-CG 3.33Å; N376-K380 PolarHBondContact O-N 3.09Å |
| 377 | E | 81.5 | Confident | 81.9 | Confident | 88 Ų | 88 | 61.3 Ų | 61.3 | 41% | 0.411 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 174.8 | -63.9 | -173.1 | 168.1 | 0 | 0 | 111.3 | L369 R374 K380 V381 | L369-E377 HydrophobicContact CD1-CB 4.06Å; L369-E377 HydrophobicContact CD2-CB 4.06Å; L369-E377 WeakPolarHBondContact CD2-OE2 3.32Å; R374-E377 HydrophobicContact CB-CB 4.24Å; R374-E377 WeakPolarHBondContact CD-OE2 3.42Å; R374-E377 IonicContact NH1-OE2 2.64Å; R374-E377 PolarHBondContact NH1-OE2 3.29Å; R374-E377 PolarHBondContact O-N 3.24Å; E377-K380 WeakPolarHBondContact O-CB 3.35Å; E377-K380 PolarHBondContact O-N 3.34Å; E377-V381 WeakPolarHBondContact O-CG2 3.47Å; E377-V381 PolarHBondContact O-N 2.95Å |
| 378 | A | 84.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F366 L369 F370 R374 Y375 K380 V381 A382 | F366-A378 HydrophobicContact CD2-CB 3.96Å; F366-A378 VanDerWaalsContact CD2-O 3.28Å; F366-A378 WeakPolarHBondContact CD2-O 3.19Å; F366-A378 HydrophobicContact CE2-CB 3.87Å; F366-A378 WeakPolarHBondContact CE2-O 3.35Å; L369-A378 HydrophobicContact CB-CB 3.9Å; F370-A378 HydrophobicContact CB-CB 4.5Å; F370-A378 HydrophobicContact CD2-CB 4.33Å; R374-A378 PolarHBondContact O-N 3.32Å; Y375-A378 PolarHBondContact O-N 3.13Å; A378-K380 PolarHBondContact O-N 3.29Å; A378-V381 PolarHBondContact O-N 2.82Å; A378-A382 WeakPolarHBondContact O-CB 3.31Å; A378-A382 PolarHBondContact O-N 3.07Å |
| 379 | A | 83.2 | Confident | 80.6 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y375 N376 A382 A383 F399 F416 L419 | Y375-A379 WeakPolarHBondContact O-CB 3.45Å; Y375-A379 PolarHBondContact O-N 3.18Å; N376-A379 PolarHBondContact O-N 2.94Å; A379-A382 PolarHBondContact O-N 3.18Å; A379-A383 VanDerWaalsContact O-CB 3.28Å; A379-A383 WeakPolarHBondContact O-CB 3.44Å; A379-A383 PolarHBondContact O-N 3.24Å; A379-F399 HydrophobicContact CB-CE1 4.14Å; A379-F399 HydrophobicContact CB-CZ 3.8Å; A379-F416 HydrophobicContact CB-CB 4.13Å; A379-F416 HydrophobicContact CB-CD2 4.04Å; A379-L419 HydrophobicContact CB-CD1 3.9Å |
| 380 | K | 81.4 | Confident | 80.2 | Confident | 107 Ų | 107 | 55.1 Ų | 55.1 | 47% | 0.465 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.5 | -50 | 171.3 | -73.1 | 177.4 | -176 | -179.1 | 0 | 111 | N376 E377 A378 A382 A383 C384 L419 | N376-K380 WeakPolarHBondContact O-CG 3.33Å; N376-K380 PolarHBondContact O-N 3.09Å; E377-K380 WeakPolarHBondContact O-CB 3.35Å; E377-K380 PolarHBondContact O-N 3.34Å; A378-K380 PolarHBondContact O-N 3.29Å; K380-A382 VanDerWaalsContact C-N 3.34Å; K380-A382 PolarHBondContact O-N 3.27Å; K380-A383 PolarHBondContact O-N 2.98Å; K380-C384 VanDerWaalsContact O-CB 3.25Å; K380-C384 WeakPolarHBondContact O-CB 3.23Å; K380-C384 PolarHBondContact O-N 2.98Å; K380-C384 PolarHBondContact O-SG 3.3Å; K380-L419 HydrophobicContact CG-CD1 3.77Å; K380-L419 HydrophobicContact CG-CD2 4.28Å |
| 381 | V | 82.3 | Confident | 80.1 | Confident | 17 Ų | 17 | 55.9 Ų | 55.9 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 178.8 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | F362 K365 F366 L369 E377 A378 C384 A385 L390 | F362-V381 HydrophobicContact CD1-CG1 4.06Å; K365-V381 HydrophobicContact CD-CG2 4.37Å; K365-V381 HydrophobicContact CG-CG2 4.46Å; F366-V381 HydrophobicContact CB-CG1 4.16Å; L369-V381 HydrophobicContact CD1-CB 4.34Å; L369-V381 HydrophobicContact CD1-CG2 3.55Å; E377-V381 WeakPolarHBondContact O-CG2 3.47Å; E377-V381 PolarHBondContact O-N 2.95Å; A378-V381 PolarHBondContact O-N 2.82Å; V381-C384 PolarHBondContact O-N 3.37Å; V381-A385 WeakPolarHBondContact O-CB 3.27Å; V381-A385 PolarHBondContact O-N 3.02Å; V381-L390 HydrophobicContact CG1-CD1 4.24Å |
| 382 | A | 83 | Confident | 79.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F366 A378 A379 K380 C384 L390 T395 F416 | F366-A382 HydrophobicContact CD2-CB 3.86Å; F366-A382 HydrophobicContact CE2-CB 3.76Å; A378-A382 WeakPolarHBondContact O-CB 3.31Å; A378-A382 PolarHBondContact O-N 3.07Å; A379-A382 PolarHBondContact O-N 3.18Å; K380-A382 VanDerWaalsContact C-N 3.34Å; K380-A382 PolarHBondContact O-N 3.27Å; A382-C384 VanDerWaalsContact C-N 3.32Å; A382-L390 HydrophobicContact CB-CB 3.89Å; A382-L390 HydrophobicContact CB-CD1 4.3Å; A382-T395 HydrophobicContact CB-CG2 4.2Å; A382-F416 HydrophobicContact CB-CD2 4.4Å; A382-F416 HydrophobicContact CB-CE2 3.62Å; A382-F416 HydrophobicContact CB-CZ 4.26Å |
| 383 | A | 76.6 | Confident | 79.2 | Confident | 12 Ų | 12 | 52.8 Ų | 52.8 | 10% | 0.099 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.3 | -25.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A379 K380 F416 L419 L420 | A379-A383 VanDerWaalsContact O-CB 3.28Å; A379-A383 WeakPolarHBondContact O-CB 3.44Å; A379-A383 PolarHBondContact O-N 3.24Å; K380-A383 PolarHBondContact O-N 2.98Å; A383-F416 HydrophobicContact CB-CE2 4.31Å; A383-L419 HydrophobicContact CB-CB 4.27Å; A383-L420 HydrophobicContact CB-CD2 3.83Å; A383-L420 HydrophobicContact CB-CG 4.47Å |
| 384 | C | 76.2 | Confident | 79.2 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -91.7 | -11.5 | 179.9 | -60.4 | 0 | 0 | 0 | 0 | 114.6 | V351 K380 V381 A382 R423 | V351-C384 HydrophobicContact CG1-CB 4.27Å; K380-C384 VanDerWaalsContact O-CB 3.25Å; K380-C384 WeakPolarHBondContact O-CB 3.23Å; K380-C384 PolarHBondContact O-N 2.98Å; K380-C384 PolarHBondContact O-SG 3.3Å; V381-C384 PolarHBondContact O-N 3.37Å; A382-C384 VanDerWaalsContact C-N 3.32Å; C384-R423 VanDerWaalsContact CA-NH1 3.3Å; C384-R423 PolarHBondContact SG-NH1 2.79Å; C384-R423 PolarHBondContact SG-NH2 3.43Å |
| 385 | A | 76.8 | Confident | 79.1 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 5% | 0.05 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -64.7 | 131.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F362 V381 G388 I389 L390 | F362-A385 HydrophobicContact CB-CB 4.21Å; F362-A385 HydrophobicContact CD1-CB 4Å; F362-A385 HydrophobicContact CG-CB 4.14Å; V381-A385 WeakPolarHBondContact O-CB 3.27Å; V381-A385 PolarHBondContact O-N 3.02Å; A385-G388 PolarHBondContact O-N 3.14Å; A385-I389 HydrophobicContact CB-CG2 3.91Å; A385-L390 HydrophobicContact CB-CB 4.11Å; A385-L390 HydrophobicContact CB-CD1 3.97Å; A385-L390 HydrophobicContact CB-CG 4.06Å |
| 386 | P | 68.3 | Low | 79 | Confident | 12 Ų | 12 | 43.7 Ų | 43.7 | 8% | 0.078 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -54.5 | 143.9 | -179.4 | -22.6 | 30.3 | 0 | 0 | 0 | 111.6 | A350 N354 F362 G388 I389 | A350-P386 HydrophobicContact CB-CG 3.92Å; A350-P386 WeakPolarHBondContact O-CG 3.44Å; N354-P386 WeakPolarHBondContact OD1-CA 3.46Å; F362-P386 HydrophobicContact CD2-CG 4.24Å; F362-P386 HydrophobicContact CE2-CG 3.68Å; F362-P386 HydrophobicContact CZ-CG 4.06Å; P386-G388 PolarHBondContact O-N 3.37Å; P386-I389 PolarHBondContact O-N 3.26Å |
| 387 | R | 70.1 | Confident | 78.9 | Confident | 155 Ų | 155 | 45.9 Ų | 45.9 | 59% | 0.585 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | 55.3 | 17.7 | 179.9 | -59.3 | -179.2 | 171.3 | -173.2 | -5.6 | 114.3 | N354 I389 | N354-R387 PolarHBondContact OD1-N 3.38Å; R387-I389 VanDerWaalsContact C-N 3.29Å; R387-I389 PolarHBondContact O-N 3.11Å |
| 388 | G | 71.6 | Confident | 79 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 23% | 0.227 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | 64.6 | 30.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A385 P386 L390 R391 | A385-G388 PolarHBondContact O-N 3.14Å; P386-G388 PolarHBondContact O-N 3.37Å; G388-L390 PolarHBondContact O-N 2.94Å; G388-L390 VanDerWaalsContact O-N 3.12Å; G388-R391 WeakPolarHBondContact O-CA 3.29Å; G388-R391 VanDerWaalsContact O-CB 3.29Å; G388-R391 WeakPolarHBondContact O-CB 3.42Å; G388-R391 PolarHBondContact O-N 3.47Å |
| 389 | I | 74.6 | Confident | 79 | Confident | 69 Ų | 69 | 45.6 Ų | 45.6 | 35% | 0.354 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -26.9 | -174.5 | -158.3 | 163.3 | 0 | 0 | 0 | 114.2 | E359 A385 P386 R387 T392 | E359-I389 HydrophobicContact CB-CD1 3.43Å; E359-I389 VanDerWaalsContact CB-CD1 3.43Å; E359-I389 HydrophobicContact CG-CD1 3.17Å; A385-I389 HydrophobicContact CB-CG2 3.91Å; P386-I389 PolarHBondContact O-N 3.26Å; R387-I389 VanDerWaalsContact C-N 3.29Å; R387-I389 PolarHBondContact O-N 3.11Å; I389-T392 VanDerWaalsContact O-CG2 3.31Å; I389-T392 WeakPolarHBondContact O-CG2 3.25Å |
| 390 | L | 79.5 | Confident | 78.9 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -0.3 | 174.7 | -70.3 | 177.1 | 0 | 0 | 0 | 112.9 | F362 V363 F366 V381 A382 A385 G388 T392 T395 | F362-L390 HydrophobicContact CB-CD1 4.31Å; V363-L390 HydrophobicContact CG2-CD2 3.94Å; F366-L390 HydrophobicContact CB-CD1 3.58Å; F366-L390 HydrophobicContact CB-CD2 4.44Å; F366-L390 HydrophobicContact CD1-CD2 4.35Å; F366-L390 HydrophobicContact CD2-CD1 4.2Å; F366-L390 HydrophobicContact CG-CD1 3.91Å; F366-L390 HydrophobicContact CG-CD2 4.38Å; V381-L390 HydrophobicContact CG1-CD1 4.24Å; A382-L390 HydrophobicContact CB-CB 3.89Å; A382-L390 HydrophobicContact CB-CD1 4.3Å; A385-L390 HydrophobicContact CB-CB 4.11Å; A385-L390 HydrophobicContact CB-CD1 3.97Å; A385-L390 HydrophobicContact CB-CG 4.06Å; G388-L390 PolarHBondContact O-N 2.94Å; G388-L390 VanDerWaalsContact O-N 3.12Å; L390-T392 PolarHBondContact O-N 3.09Å; L390-T395 WeakPolarHBondContact O-CB 3.22Å; L390-T395 VanDerWaalsContact O-CG2 3.28Å; L390-T395 WeakPolarHBondContact O-CG2 3.19Å; L390-T395 PolarHBondContact O-OG1 3.1Å |
| 391 | R | 83.1 | Confident | 78.8 | Confident | 59 Ų | 59 | 49 Ų | 49 | 22% | 0.223 | 25% | 0.253 | C | S | . | . | trans | -85.6 | 53.9 | 175.8 | -69 | 178.6 | 63.1 | -173.6 | 1.4 | 111.1 | G388 L420 M425 N427 E430 | G388-R391 WeakPolarHBondContact O-CA 3.29Å; G388-R391 VanDerWaalsContact O-CB 3.29Å; G388-R391 WeakPolarHBondContact O-CB 3.42Å; G388-R391 PolarHBondContact O-N 3.47Å; R391-L420 HydrophobicContact CG-CD2 4.07Å; R391-M425 PolarHBondContact NH1-O 2.94Å; R391-M425 PolarHBondContact NH2-O 3.35Å; R391-N427 PolarHBondContact O-ND2 3.3Å; R391-N427 VanDerWaalsContact O-ND2 3.11Å; R391-E430 VanDerWaalsContact CB-OE1 3.28Å; R391-E430 WeakPolarHBondContact CB-OE1 3.19Å; R391-E430 IonicContact CZ-OE1 2.59Å; R391-E430 IonicContact CZ-OE2 3.74Å; R391-E430 IonicContact NE-OE1 3.63Å; R391-E430 PolarHBondContact NE-OE1 2.84Å; R391-E430 IonicContact NE-OE2 3.01Å; R391-E430 PolarHBondContact NE-OE2 3.25Å; R391-E430 IonicContact NH2-OE1 2.69Å; R391-E430 IonicContact NH2-OE2 3.75Å; R391-E430 PolarHBondContact NH2-OE2 3.31Å | ||
| 392 | T | 80.6 | Confident | 78.6 | Confident | 44 Ų | 44 | 49.3 Ų | 49.3 | 27% | 0.27 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -108.6 | 158.5 | -175.5 | 65.9 | 0 | 0 | 0 | 0 | 111.5 | I389 L390 Q394 T395 I396 | I389-T392 VanDerWaalsContact O-CG2 3.31Å; I389-T392 WeakPolarHBondContact O-CG2 3.25Å; L390-T392 PolarHBondContact O-N 3.09Å; T392-Q394 PolarHBondContact O-N 2.98Å; T392-T395 PolarHBondContact O-N 3.29Å; T392-T395 VanDerWaalsContact O-N 3.09Å; T392-T395 PolarHBondContact OG1-N 3.14Å; T392-T395 PolarHBondContact OG1-OG1 3.03Å; T392-I396 PolarHBondContact O-N 3.39Å |
| 393 | P | 77.6 | Confident | 78 | Confident | 57 Ų | 57 | 54.5 Ų | 54.5 | 37% | 0.37 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -55.1 | -32.6 | 173.1 | -26.4 | 34.8 | 0 | 0 | 0 | 113.2 | I396 Q397 Y429 | P393-I396 PolarHBondContact O-N 3.24Å; P393-Q397 WeakPolarHBondContact O-CB 2.99Å; P393-Q397 WeakPolarHBondContact O-CG 3.3Å; P393-Q397 PolarHBondContact O-N 3.05Å; P393-Y429 HydrophobicContact CG-CD1 4.24Å; P393-Y429 HydrophobicContact CG-CD2 4.36Å; P393-Y429 HydrophobicContact CG-CG 4.14Å |
| 394 | Q | 80.8 | Confident | 77.3 | Confident | 142 Ų | 142 | 57.6 Ų | 57.6 | 66% | 0.664 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.9 | -40.3 | 177.9 | -64.5 | 170.1 | 1.6 | 0 | 0 | 112 | T392 Q397 K398 | T392-Q394 PolarHBondContact O-N 2.98Å; Q394-Q397 PolarHBondContact O-N 2.93Å; Q394-K398 WeakPolarHBondContact O-CG 3.46Å; Q394-K398 PolarHBondContact O-N 3.34Å |
| 395 | T | 83 | Confident | 76.7 | Confident | 6 Ų | 6 | 63.3 Ų | 63.3 | 4% | 0.037 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 175.4 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | F366 A382 L390 T392 K398 F399 F416 | F366-T395 HydrophobicContact CE1-CG2 4.39Å; F366-T395 HydrophobicContact CE2-CG2 4.19Å; F366-T395 HydrophobicContact CZ-CG2 3.75Å; A382-T395 HydrophobicContact CB-CG2 4.2Å; L390-T395 WeakPolarHBondContact O-CB 3.22Å; L390-T395 VanDerWaalsContact O-CG2 3.28Å; L390-T395 WeakPolarHBondContact O-CG2 3.19Å; L390-T395 PolarHBondContact O-OG1 3.1Å; T392-T395 PolarHBondContact O-N 3.29Å; T392-T395 VanDerWaalsContact O-N 3.09Å; T392-T395 PolarHBondContact OG1-N 3.14Å; T392-T395 PolarHBondContact OG1-OG1 3.03Å; T395-K398 WeakPolarHBondContact O-CB 3.42Å; T395-K398 PolarHBondContact O-N 3.38Å; T395-F399 HydrophobicContact CG2-CD2 3.93Å; T395-F399 HydrophobicContact CG2-CE2 3.7Å; T395-F399 VanDerWaalsContact O-CD2 3.25Å; T395-F399 WeakPolarHBondContact O-CD2 3.48Å; T395-F399 PolarHBondContact O-N 3.5Å; T395-F416 HydrophobicContact CG2-CZ 4.5Å |
| 396 | I | 81.6 | Confident | 75.6 | Confident | 6 Ų | 6 | 69.7 Ų | 69.7 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 175.3 | -64 | 171.9 | 0 | 0 | 0 | 110.2 | T392 P393 K398 F399 Q400 L413 F416 E430 | T392-I396 PolarHBondContact O-N 3.39Å; P393-I396 PolarHBondContact O-N 3.24Å; I396-K398 PolarHBondContact O-N 2.83Å; I396-F399 PolarHBondContact O-N 2.88Å; I396-Q400 HydrophobicContact CG2-CG 4.33Å; I396-Q400 WeakPolarHBondContact O-CB 3.34Å; I396-Q400 WeakPolarHBondContact O-CG 3.29Å; I396-Q400 PolarHBondContact O-N 3.08Å; I396-L413 HydrophobicContact CG2-CD1 3.99Å; I396-F416 HydrophobicContact CG1-CE1 4.34Å; I396-E430 HydrophobicContact CD1-CG 3.73Å |
| 397 | Q | 80.9 | Confident | 75.1 | Confident | 123 Ų | 123 | 73.3 Ų | 73.3 | 58% | 0.575 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -60.9 | -41 | 175.5 | -75.9 | 176.4 | -3.2 | 0 | 0 | 112.4 | P393 Q394 F399 Q400 S401 | P393-Q397 WeakPolarHBondContact O-CB 2.99Å; P393-Q397 WeakPolarHBondContact O-CG 3.3Å; P393-Q397 PolarHBondContact O-N 3.05Å; Q394-Q397 PolarHBondContact O-N 2.93Å; Q397-F399 PolarHBondContact O-N 3.42Å; Q397-Q400 PolarHBondContact O-N 3.46Å; Q397-S401 WeakPolarHBondContact O-CB 3.44Å; Q397-S401 PolarHBondContact O-N 2.99Å |
| 398 | K | 83 | Confident | 74.3 | Confident | 80 Ų | 80 | 68.3 Ų | 68.3 | 35% | 0.348 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -57.5 | -47.8 | 173.2 | -78.1 | -177.3 | 179.5 | -178.5 | 0 | 110.7 | F366 E367 F370 Q394 T395 I396 S401 | F366-K398 HydrophobicContact CE1-CD 4.19Å; E367-K398 IonicContact OE1-NZ 2.89Å; F370-K398 HydrophobicContact CE2-CB 4.09Å; F370-K398 HydrophobicContact CZ-CB 3.82Å; Q394-K398 WeakPolarHBondContact O-CG 3.46Å; Q394-K398 PolarHBondContact O-N 3.34Å; T395-K398 WeakPolarHBondContact O-CB 3.42Å; T395-K398 PolarHBondContact O-N 3.38Å; I396-K398 PolarHBondContact O-N 2.83Å; K398-S401 PolarHBondContact O-N 2.97Å; K398-S401 PolarHBondContact O-OG 3.33Å |
| 399 | F | 84.3 | Confident | 73.6 | Confident | 3 Ų | 3 | 73 Ų | 73 | 1% | 0.013 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67 | -34.7 | 176 | -77.1 | -65.9 | 0 | 0 | 0 | 113.8 | F366 F370 A379 T395 I396 Q397 S401 I402 P412 L413 F416 | F366-F399 AromaticContact CE2-CE2 3.98Å; F366-F399 HydrophobicContact CE2-CE2 3.98Å; F366-F399 AromaticContact CE2-CZ 3.89Å; F366-F399 HydrophobicContact CE2-CZ 3.89Å; F366-F399 HydrophobicContact CZ-CE2 4.08Å; F366-F399 HydrophobicContact CZ-CZ 4.22Å; F370-F399 HydrophobicContact CE2-CD1 4.13Å; F370-F399 HydrophobicContact CE2-CE1 4.04Å; F370-F399 HydrophobicContact CE2-CZ 4.4Å; A379-F399 HydrophobicContact CB-CE1 4.14Å; A379-F399 HydrophobicContact CB-CZ 3.8Å; T395-F399 HydrophobicContact CG2-CD2 3.93Å; T395-F399 HydrophobicContact CG2-CE2 3.7Å; T395-F399 VanDerWaalsContact O-CD2 3.25Å; T395-F399 WeakPolarHBondContact O-CD2 3.48Å; T395-F399 PolarHBondContact O-N 3.5Å; I396-F399 PolarHBondContact O-N 2.88Å; Q397-F399 PolarHBondContact O-N 3.42Å; F399-S401 VanDerWaalsContact C-N 3.33Å; F399-I402 HydrophobicContact CD1-CD1 4.1Å; F399-P412 HydrophobicContact CD1-CB 4.02Å; F399-L413 HydrophobicContact CB-CB 4.29Å; F399-L413 HydrophobicContact CB-CD1 3.94Å; F399-F416 HydrophobicContact CD2-CB 4.34Å; F399-F416 HydrophobicContact CD2-CD1 4.16Å; F399-F416 HydrophobicContact CD2-CG 4.11Å; F399-F416 HydrophobicContact CE2-CB 4.34Å; F399-F416 HydrophobicContact CE2-CD1 4.37Å; F399-F416 HydrophobicContact CE2-CD2 4.01Å; F399-F416 HydrophobicContact CE2-CE2 4.4Å; F399-F416 AromaticContact CE2-CG 3.98Å; F399-F416 HydrophobicContact CE2-CG 3.98Å |
| 400 | Q | 80.7 | Confident | 72.9 | Confident | 89 Ų | 89 | 72.6 Ų | 72.6 | 42% | 0.416 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.1 | -32.7 | 175.2 | -78.8 | 175.4 | -10.8 | 0 | 0 | 112.7 | I396 Q397 I402 L413 E433 | I396-Q400 HydrophobicContact CG2-CG 4.33Å; I396-Q400 WeakPolarHBondContact O-CB 3.34Å; I396-Q400 WeakPolarHBondContact O-CG 3.29Å; I396-Q400 PolarHBondContact O-N 3.08Å; Q397-Q400 PolarHBondContact O-N 3.46Å; Q400-I402 PolarHBondContact O-N 3.2Å; Q400-L413 HydrophobicContact CG-CD1 4.31Å; Q400-L413 HydrophobicContact CG-CD2 3.63Å; Q400-E433 PolarHBondContact NE2-OE2 3.34Å |
| 401 | S | 80 | Confident | 72.7 | Confident | 91 Ų | 91 | 74 Ų | 74 | 64% | 0.636 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -10.9 | -178.8 | 72.3 | 0 | 0 | 0 | 0 | 114.6 | Q397 K398 F399 P403 | Q397-S401 WeakPolarHBondContact O-CB 3.44Å; Q397-S401 PolarHBondContact O-N 2.99Å; K398-S401 PolarHBondContact O-N 2.97Å; K398-S401 PolarHBondContact O-OG 3.33Å; F399-S401 VanDerWaalsContact C-N 3.33Å; S401-P403 WeakPolarHBondContact O-CD 3.3Å |
| 402 | I | 78.4 | Confident | 72.3 | Confident | 22 Ų | 22 | 72.1 Ų | 72.1 | 11% | 0.113 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -81.6 | 123.4 | -178.4 | -57.6 | 165.6 | 0 | 0 | 0 | 109.8 | F370 Y375 F399 Q400 P412 | F370-I402 HydrophobicContact CE1-CD1 4.47Å; F370-I402 HydrophobicContact CE2-CD1 3.95Å; F370-I402 HydrophobicContact CZ-CD1 3.61Å; F370-I402 HydrophobicContact CZ-CG1 4.02Å; Y375-I402 HydrophobicContact CD1-CD1 3.48Å; Y375-I402 VanDerWaalsContact CD1-CD1 3.48Å; Y375-I402 HydrophobicContact CD2-CD1 4.4Å; Y375-I402 HydrophobicContact CE1-CD1 3.54Å; Y375-I402 HydrophobicContact CE1-CG1 4.21Å; Y375-I402 HydrophobicContact CE2-CD1 4.43Å; Y375-I402 HydrophobicContact CE2-CG2 4.06Å; Y375-I402 HydrophobicContact CG-CD1 3.93Å; F399-I402 HydrophobicContact CD1-CD1 4.1Å; Q400-I402 PolarHBondContact O-N 3.2Å; I402-P412 HydrophobicContact CB-CG 4.38Å; I402-P412 HydrophobicContact CD1-CB 4.1Å; I402-P412 HydrophobicContact CD1-CG 4.28Å; I402-P412 HydrophobicContact CG2-CG 4.05Å |
| 403 | P | 69.7 | Low | 72.2 | Confident | 110 Ų | 110 | 71.4 Ų | 71.4 | 71% | 0.714 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 135.3 | 173.2 | -16.8 | 29.1 | 0 | 0 | 0 | 111.6 | S401 E405 | S401-P403 WeakPolarHBondContact O-CD 3.3Å; P403-E405 PolarHBondContact O-N 2.99Å |
| 404 | T | 62.9 | Low | 72.3 | Confident | 76 Ų | 76 | 72.9 Ų | 72.9 | 47% | 0.466 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 122.7 | 173.7 | -41.4 | 0 | 0 | 0 | 0 | 110.2 | T411 | T404-T411 HydrophobicContact CG2-CG2 3.94Š|
| 405 | E | 63 | Low | 72.2 | Confident | 148 Ų | 148 | 68.9 Ų | 68.9 | 69% | 0.692 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 136.3 | 176.2 | -77.4 | -173.4 | 163.7 | 0 | 0 | 111.5 | P403 G407 S408 | P403-E405 PolarHBondContact O-N 2.99Å; E405-G407 PolarHBondContact O-N 2.89Å; E405-G407 VanDerWaalsContact O-N 3.11Å; E405-S408 PolarHBondContact O-N 2.93Å |
| 406 | P | 53.4 | Low | 72.1 | Confident | 140 Ų | 140 | 68.6 Ų | 68.6 | 91% | 0.909 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 114.2 | 178.9 | -15.6 | 27.6 | 0 | 0 | 0 | 110.9 | ||
| 407 | G | 58.8 | Low | 72.2 | Confident | 88 Ų | 88 | 68.7 Ų | 68.7 | 91% | 0.907 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.6 | -14.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115 | E405 | E405-G407 PolarHBondContact O-N 2.89Å; E405-G407 VanDerWaalsContact O-N 3.11Å |
| 408 | S | 53.6 | Low | 72.1 | Confident | 50 Ų | 50 | 65 Ų | 65 | 35% | 0.35 | 40% | 0.402 | S | S | . | . | trans | -88.5 | 122.5 | 169.9 | -178.4 | 0 | 0 | 0 | 0 | 110.4 | E405 T410 | E405-S408 PolarHBondContact O-N 2.93Å; S408-T410 PolarHBondContact O-N 3.21Å; S408-T410 PolarHBondContact OG-N 2.87Å; S408-T410 PolarHBondContact OG-O 3.42Å; S408-T410 VanDerWaalsContact OG-O 3.1Å | ||
| 409 | S | 56.1 | Low | 72 | Confident | 119 Ų | 119 | 63.3 Ų | 63.3 | 83% | 0.832 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -77.2 | -7 | 174.8 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 410 | T | 60.6 | Low | 71.8 | Confident | 61 Ų | 61 | 63.3 Ų | 63.3 | 37% | 0.374 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -117.7 | 119.8 | -179 | 50.7 | 0 | 0 | 0 | 0 | 111 | S408 Q415 | S408-T410 PolarHBondContact O-N 3.21Å; S408-T410 PolarHBondContact OG-N 2.87Å; S408-T410 PolarHBondContact OG-O 3.42Å; S408-T410 VanDerWaalsContact OG-O 3.1Å; T410-Q415 PolarHBondContact OG1-NE2 3.25Å; T410-Q415 VanDerWaalsContact OG1-NE2 3.13Å |
| 411 | T | 73.6 | Confident | 71.7 | Confident | 40 Ų | 40 | 59.8 Ų | 59.8 | 25% | 0.245 | 38% | 0.381 | C | S | . | . | trans | -70.7 | 148.8 | 170.6 | 60.9 | 0 | 0 | 0 | 0 | 109.6 | T404 L413 L414 Q415 | T404-T411 HydrophobicContact CG2-CG2 3.94Å; T411-L413 PolarHBondContact O-N 3.35Å; T411-L413 VanDerWaalsContact O-N 3.12Å; T411-L414 PolarHBondContact O-N 3.28Å; T411-L414 WeakPolarHBondContact OG1-CD1 3.5Å; T411-L414 WeakPolarHBondContact OG1-CG 3.5Å; T411-L414 PolarHBondContact OG1-N 3.11Å; T411-Q415 PolarHBondContact O-N 2.98Å; T411-Q415 VanDerWaalsContact O-N 3.1Å | ||
| 412 | P | 74.6 | Confident | 71.5 | Confident | 19 Ų | 19 | 61.8 Ų | 61.8 | 12% | 0.123 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -53.2 | -32.7 | 174.2 | -28.5 | 36.2 | 0 | 0 | 0 | 113.1 | Y375 F399 I402 Q415 F416 | Y375-P412 HydrophobicContact CD2-CG 4.49Å; F399-P412 HydrophobicContact CD1-CB 4.02Å; I402-P412 HydrophobicContact CB-CG 4.38Å; I402-P412 HydrophobicContact CD1-CB 4.1Å; I402-P412 HydrophobicContact CD1-CG 4.28Å; I402-P412 HydrophobicContact CG2-CG 4.05Å; P412-Q415 PolarHBondContact O-N 2.89Å; P412-F416 PolarHBondContact O-N 3.44Å |
| 413 | L | 79.8 | Confident | 71.1 | Confident | 30 Ų | 30 | 67.7 Ų | 67.7 | 16% | 0.157 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 174 | -176.6 | 68.3 | 0 | 0 | 0 | 112.9 | I396 F399 Q400 T411 Q415 F416 F417 | I396-L413 HydrophobicContact CG2-CD1 3.99Å; F399-L413 HydrophobicContact CB-CB 4.29Å; F399-L413 HydrophobicContact CB-CD1 3.94Å; Q400-L413 HydrophobicContact CG-CD1 4.31Å; Q400-L413 HydrophobicContact CG-CD2 3.63Å; T411-L413 PolarHBondContact O-N 3.35Å; T411-L413 VanDerWaalsContact O-N 3.12Å; L413-Q415 VanDerWaalsContact C-N 3.31Å; L413-Q415 PolarHBondContact O-N 3.4Å; L413-F416 WeakPolarHBondContact O-CB 3.34Å; L413-F416 PolarHBondContact O-N 3.47Å; L413-F417 HydrophobicContact CD1-CD2 4.14Å; L413-F417 HydrophobicContact CD1-CE2 3.61Å; L413-F417 HydrophobicContact CD1-CZ 4.2Å; L413-F417 HydrophobicContact CD2-CE2 3.97Å; L413-F417 HydrophobicContact CG-CD2 3.87Å; L413-F417 HydrophobicContact CG-CE2 3.57Å; L413-F417 VanDerWaalsContact O-CD2 3.3Å; L413-F417 WeakPolarHBondContact O-CD2 3.48Å; L413-F417 PolarHBondContact O-N 3.08Å |
| 414 | L | 78.6 | Confident | 71.3 | Confident | 87 Ų | 87 | 64 Ų | 64 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.7 | -35.3 | 176.3 | -77.7 | 168.7 | 0 | 0 | 0 | 111.7 | T411 F417 A418 | T411-L414 PolarHBondContact O-N 3.28Å; T411-L414 WeakPolarHBondContact OG1-CD1 3.5Å; T411-L414 WeakPolarHBondContact OG1-CG 3.5Å; T411-L414 PolarHBondContact OG1-N 3.11Å; L414-F417 PolarHBondContact O-N 3.3Å; L414-A418 WeakPolarHBondContact O-CB 3.25Å; L414-A418 PolarHBondContact O-N 2.82Å |
| 415 | Q | 79.3 | Confident | 72.1 | Confident | 59 Ų | 59 | 65.2 Ų | 65.2 | 28% | 0.276 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 173.5 | -65.6 | -179.6 | 1.3 | 0 | 0 | 111.5 | T410 T411 P412 L413 A418 L419 | T410-Q415 PolarHBondContact OG1-NE2 3.25Å; T410-Q415 VanDerWaalsContact OG1-NE2 3.13Å; T411-Q415 PolarHBondContact O-N 2.98Å; T411-Q415 VanDerWaalsContact O-N 3.1Å; P412-Q415 PolarHBondContact O-N 2.89Å; L413-Q415 VanDerWaalsContact C-N 3.31Å; L413-Q415 PolarHBondContact O-N 3.4Å; Q415-A418 PolarHBondContact O-N 3.04Å; Q415-L419 WeakPolarHBondContact O-CG 3.46Å; Q415-L419 PolarHBondContact O-N 3.34Å |
| 416 | F | 82.2 | Confident | 73 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 174.3 | 179.2 | -118.1 | 0 | 0 | 0 | 112 | A379 A382 A383 T395 I396 F399 P412 L413 A418 L419 L420 | A379-F416 HydrophobicContact CB-CB 4.13Å; A379-F416 HydrophobicContact CB-CD2 4.04Å; A382-F416 HydrophobicContact CB-CD2 4.4Å; A382-F416 HydrophobicContact CB-CE2 3.62Å; A382-F416 HydrophobicContact CB-CZ 4.26Å; A383-F416 HydrophobicContact CB-CE2 4.31Å; T395-F416 HydrophobicContact CG2-CZ 4.5Å; I396-F416 HydrophobicContact CG1-CE1 4.34Å; F399-F416 HydrophobicContact CD2-CB 4.34Å; F399-F416 HydrophobicContact CD2-CD1 4.16Å; F399-F416 HydrophobicContact CD2-CG 4.11Å; F399-F416 HydrophobicContact CE2-CB 4.34Å; F399-F416 HydrophobicContact CE2-CD1 4.37Å; F399-F416 HydrophobicContact CE2-CD2 4.01Å; F399-F416 HydrophobicContact CE2-CE2 4.4Å; F399-F416 AromaticContact CE2-CG 3.98Å; F399-F416 HydrophobicContact CE2-CG 3.98Å; P412-F416 PolarHBondContact O-N 3.44Å; L413-F416 WeakPolarHBondContact O-CB 3.34Å; L413-F416 PolarHBondContact O-N 3.47Å; F416-A418 PolarHBondContact O-N 2.72Å; F416-L419 PolarHBondContact O-N 3.45Å; F416-L420 HydrophobicContact CD1-CD1 3.98Å; F416-L420 HydrophobicContact CD2-CG 4.46Å; F416-L420 HydrophobicContact CE1-CD1 3.52Å; F416-L420 HydrophobicContact CE1-CG 4.37Å; F416-L420 HydrophobicContact CE2-CD1 4.14Å; F416-L420 HydrophobicContact CE2-CD2 4.26Å; F416-L420 HydrophobicContact CE2-CG 4.14Å; F416-L420 HydrophobicContact CG-CD1 4.48Å; F416-L420 HydrophobicContact CZ-CD1 3.62Å; F416-L420 HydrophobicContact CZ-CD2 4.26Å; F416-L420 HydrophobicContact CZ-CG 4.11Å; F416-L420 WeakPolarHBondContact O-CG 3.44Å; F416-L420 PolarHBondContact O-N 3.26Å |
| 417 | F | 82.4 | Confident | 74.3 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.8 | -37.4 | 175.9 | -75.8 | -55.6 | 0 | 0 | 0 | 113.2 | L413 L414 L420 L421 L426 E430 E433 L434 | L413-F417 HydrophobicContact CD1-CD2 4.14Å; L413-F417 HydrophobicContact CD1-CE2 3.61Å; L413-F417 HydrophobicContact CD1-CZ 4.2Å; L413-F417 HydrophobicContact CD2-CE2 3.97Å; L413-F417 HydrophobicContact CG-CD2 3.87Å; L413-F417 HydrophobicContact CG-CE2 3.57Å; L413-F417 VanDerWaalsContact O-CD2 3.3Å; L413-F417 WeakPolarHBondContact O-CD2 3.48Å; L413-F417 PolarHBondContact O-N 3.08Å; L414-F417 PolarHBondContact O-N 3.3Å; F417-L420 HydrophobicContact CD1-CD1 4.29Å; F417-L420 PolarHBondContact O-N 2.83Å; F417-L421 WeakPolarHBondContact O-CB 3.41Å; F417-L421 VanDerWaalsContact O-CG 3.3Å; F417-L421 WeakPolarHBondContact O-CG 3.34Å; F417-L421 PolarHBondContact O-N 3.28Å; F417-L426 HydrophobicContact CD1-CD1 4.49Å; F417-L426 HydrophobicContact CD1-CD2 4.48Å; F417-E430 HydrophobicContact CE1-CB 3.92Å; F417-E430 HydrophobicContact CE1-CG 4.19Å; F417-E433 HydrophobicContact CZ-CB 4.24Å; F417-L434 HydrophobicContact CB-CD1 4.29Å; F417-L434 HydrophobicContact CD1-CB 4.49Å; F417-L434 HydrophobicContact CD2-CD1 4.14Å; F417-L434 HydrophobicContact CE1-CB 4.37Å; F417-L434 HydrophobicContact CG-CD1 4.15Å; F417-L434 HydrophobicContact CZ-CB 4.42Å |
| 418 | A | 79.8 | Confident | 75.3 | Confident | 46 Ų | 46 | 52.4 Ų | 52.4 | 38% | 0.38 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61 | -46 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L414 Q415 F416 L420 L421 D422 | L414-A418 WeakPolarHBondContact O-CB 3.25Å; L414-A418 PolarHBondContact O-N 2.82Å; Q415-A418 PolarHBondContact O-N 3.04Å; F416-A418 PolarHBondContact O-N 2.72Å; A418-L420 VanDerWaalsContact C-N 3.32Å; A418-L420 PolarHBondContact O-N 2.83Å; A418-L421 PolarHBondContact O-N 3.09Å; A418-D422 PolarHBondContact O-N 3.38Å |
| 419 | L | 79.9 | Confident | 76.5 | Confident | 44 Ų | 44 | 56.7 Ų | 56.7 | 23% | 0.23 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 175.7 | -72.9 | 169.1 | 0 | 0 | 0 | 112.6 | A379 K380 A383 Q415 F416 R423 | A379-L419 HydrophobicContact CB-CD1 3.9Å; K380-L419 HydrophobicContact CG-CD1 3.77Å; K380-L419 HydrophobicContact CG-CD2 4.28Å; A383-L419 HydrophobicContact CB-CB 4.27Å; Q415-L419 WeakPolarHBondContact O-CG 3.46Å; Q415-L419 PolarHBondContact O-N 3.34Å; F416-L419 PolarHBondContact O-N 3.45Å; L419-R423 PolarHBondContact O-N 3.35Å |
| 420 | L | 80.7 | Confident | 77.8 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.1 | -45.5 | 176.1 | -70.4 | 177.1 | 0 | 0 | 0 | 112 | A383 R391 F416 F417 A418 D422 R423 G424 L426 E430 | A383-L420 HydrophobicContact CB-CD2 3.83Å; A383-L420 HydrophobicContact CB-CG 4.47Å; R391-L420 HydrophobicContact CG-CD2 4.07Å; F416-L420 HydrophobicContact CD1-CD1 3.98Å; F416-L420 HydrophobicContact CD2-CG 4.46Å; F416-L420 HydrophobicContact CE1-CD1 3.52Å; F416-L420 HydrophobicContact CE1-CG 4.37Å; F416-L420 HydrophobicContact CE2-CD1 4.14Å; F416-L420 HydrophobicContact CE2-CD2 4.26Å; F416-L420 HydrophobicContact CE2-CG 4.14Å; F416-L420 HydrophobicContact CG-CD1 4.48Å; F416-L420 HydrophobicContact CZ-CD1 3.62Å; F416-L420 HydrophobicContact CZ-CD2 4.26Å; F416-L420 HydrophobicContact CZ-CG 4.11Å; F416-L420 WeakPolarHBondContact O-CG 3.44Å; F416-L420 PolarHBondContact O-N 3.26Å; F417-L420 HydrophobicContact CD1-CD1 4.29Å; F417-L420 PolarHBondContact O-N 2.83Å; A418-L420 VanDerWaalsContact C-N 3.32Å; A418-L420 PolarHBondContact O-N 2.83Å; L420-D422 VanDerWaalsContact C-N 3.27Å; L420-D422 PolarHBondContact O-N 3.08Å; L420-R423 PolarHBondContact O-N 3.12Å; L420-R423 VanDerWaalsContact O-N 3.09Å; L420-G424 PolarHBondContact O-N 2.71Å; L420-L426 HydrophobicContact CB-CD2 3.46Å; L420-L426 VanDerWaalsContact CB-CD2 3.46Å; L420-L426 HydrophobicContact CD1-CD2 3.87Å; L420-L426 HydrophobicContact CG-CD2 4.31Å; L420-E430 HydrophobicContact CD1-CG 4.34Å; L420-E430 WeakPolarHBondContact CD1-OE1 3.37Å |
| 421 | L | 78.5 | Confident | 79 | Confident | 15 Ų | 15 | 48.1 Ų | 48.1 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.2 | -31.5 | 178.1 | -76.1 | 169.6 | 0 | 0 | 0 | 112.6 | F417 A418 L426 L434 W450 K455 | F417-L421 WeakPolarHBondContact O-CB 3.41Å; F417-L421 VanDerWaalsContact O-CG 3.3Å; F417-L421 WeakPolarHBondContact O-CG 3.34Å; F417-L421 PolarHBondContact O-N 3.28Å; A418-L421 PolarHBondContact O-N 3.09Å; L421-L426 HydrophobicContact CD2-CD1 3.81Å; L421-L426 HydrophobicContact CD2-CG 4.08Å; L421-L426 HydrophobicContact CG-CD1 4.23Å; L421-L434 HydrophobicContact CD1-CD2 4.11Å; L421-L434 HydrophobicContact CD2-CD2 4.45Å; L421-W450 HydrophobicContact CD1-CD2 4.46Å; L421-W450 HydrophobicContact CD1-CH2 4.19Å; L421-W450 HydrophobicContact CD1-CZ2 3.66Å; L421-W450 HydrophobicContact CD2-CD2 4.3Å; L421-W450 HydrophobicContact CD2-CG 4.31Å; L421-K455 HydrophobicContact CD2-CB 3.98Å; L421-K455 HydrophobicContact CD2-CD 4.06Å; L421-K455 WeakPolarHBondContact O-CD 3.37Å; L421-K455 WeakPolarHBondContact O-CE 3.41Å; L421-K455 PolarHBondContact O-NZ 3.39Å |
| 422 | D | 75.2 | Confident | 79.4 | Confident | 132 Ų | 132 | 46.7 Ų | 46.7 | 71% | 0.706 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -74.2 | -28.4 | 174.8 | -76.3 | -15.2 | 0 | 0 | 0 | 112.4 | A418 L420 | A418-D422 PolarHBondContact O-N 3.38Å; L420-D422 VanDerWaalsContact C-N 3.27Å; L420-D422 PolarHBondContact O-N 3.08Å |
| 423 | R | 71.3 | Confident | 79.6 | Confident | 147 Ų | 147 | 48.5 Ų | 48.5 | 56% | 0.555 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -88.4 | -33.7 | -179.1 | -80.5 | -171.4 | 162.3 | -130.6 | -8.7 | 114.4 | C384 L419 L420 | C384-R423 VanDerWaalsContact CA-NH1 3.3Å; C384-R423 PolarHBondContact SG-NH1 2.79Å; C384-R423 PolarHBondContact SG-NH2 3.43Å; L419-R423 PolarHBondContact O-N 3.35Å; L420-R423 PolarHBondContact O-N 3.12Å; L420-R423 VanDerWaalsContact O-N 3.09Å |
| 424 | G | 72.8 | Confident | 79.7 | Confident | 32 Ų | 32 | 47.6 Ų | 47.6 | 33% | 0.33 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 167.9 | -154.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | L420 | L420-G424 PolarHBondContact O-N 2.71Š|
| 425 | M | 79.4 | Confident | 79.9 | Confident | 101 Ų | 101 | 43.5 Ų | 43.5 | 50% | 0.498 | 22% | 0.217 | S | C | . | . | trans | -75.3 | 132.4 | -175.5 | -170 | -174.6 | -70.2 | 0 | 0 | 111.6 | R391 N454 K455 | R391-M425 PolarHBondContact NH1-O 2.94Å; R391-M425 PolarHBondContact NH2-O 3.35Å; M425-N454 HydrophobicContact CE-CB 4.35Å; M425-N454 WeakPolarHBondContact CE-O 3.43Å; M425-K455 CarbonylContact C-O 3.5Å; M425-K455 WeakPolarHBondContact CA-O 3.45Å | ||
| 426 | L | 82.1 | Confident | 79.9 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -72.9 | 144.4 | 171.2 | -63.7 | -175.4 | 0 | 0 | 0 | 110.8 | F417 L420 L421 E430 S431 L434 K455 L456 E457 | F417-L426 HydrophobicContact CD1-CD1 4.49Å; F417-L426 HydrophobicContact CD1-CD2 4.48Å; L420-L426 HydrophobicContact CB-CD2 3.46Å; L420-L426 VanDerWaalsContact CB-CD2 3.46Å; L420-L426 HydrophobicContact CD1-CD2 3.87Å; L420-L426 HydrophobicContact CG-CD2 4.31Å; L421-L426 HydrophobicContact CD2-CD1 3.81Å; L421-L426 HydrophobicContact CD2-CG 4.08Å; L421-L426 HydrophobicContact CG-CD1 4.23Å; L426-E430 VanDerWaalsContact CA-OE2 3.32Å; L426-E430 WeakPolarHBondContact CA-OE2 3.47Å; L426-E430 HydrophobicContact CB-CB 3.97Å; L426-E430 HydrophobicContact CD2-CB 4.23Å; L426-E430 HydrophobicContact CG-CB 4.49Å; L426-S431 WeakPolarHBondContact CB-OG 3.42Å; L426-S431 PolarHBondContact O-OG 3.48Å; L426-L434 HydrophobicContact CD1-CB 4.48Å; L426-L434 HydrophobicContact CD1-CD2 3.41Å; L426-L434 VanDerWaalsContact CD1-CD2 3.41Å; L426-K455 PolarHBondContact N-O 3.33Å; L426-L456 HydrophobicContact CB-CD2 4.42Å; L426-L456 HydrophobicContact CD1-CD2 3.86Å; L426-L456 HydrophobicContact CG-CD2 4.49Å; L426-E457 WeakPolarHBondContact O-CB 3.28Å; L426-E457 PolarHBondContact O-N 3.48Å |
| 427 | N | 81.5 | Confident | 79.7 | Confident | 41 Ų | 41 | 50.2 Ų | 50.2 | 22% | 0.219 | 25% | 0.248 | C | C | . | . | trans | -77.3 | 174.5 | 175.4 | 69.4 | 29.7 | 0 | 0 | 0 | 111.7 | R391 Y429 E430 S431 E457 | R391-N427 PolarHBondContact O-ND2 3.3Å; R391-N427 VanDerWaalsContact O-ND2 3.11Å; N427-Y429 VanDerWaalsContact C-N 3.34Å; N427-Y429 PolarHBondContact O-N 2.81Å; N427-Y429 PolarHBondContact OD1-N 2.87Å; N427-E430 PolarHBondContact N-OE2 3.21Å; N427-E430 PolarHBondContact O-N 3.24Å; N427-E430 WeakPolarHBondContact OD1-CB 3.13Å; N427-E430 WeakPolarHBondContact OD1-CG 3.34Å; N427-E430 PolarHBondContact OD1-N 3.4Å; N427-S431 VanDerWaalsContact O-CB 3.29Å; N427-S431 WeakPolarHBondContact O-CB 3.46Å; N427-S431 PolarHBondContact O-N 2.95Å; N427-S431 PolarHBondContact O-OG 3.45Å; N427-E457 WeakPolarHBondContact CA-OE2 3.46Å | ||
| 428 | K | 79.7 | Confident | 79.5 | Confident | 66 Ų | 66 | 51.2 Ų | 51.2 | 29% | 0.287 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -50.8 | -50.4 | -179.5 | 180 | -179.7 | 175.1 | -172.1 | 0 | 112.3 | S431 L432 E457 E461 | K428-S431 PolarHBondContact O-N 2.88Å; K428-L432 HydrophobicContact CG-CD1 4.1Å; K428-L432 VanDerWaalsContact O-CG 3.24Å; K428-L432 WeakPolarHBondContact O-CG 3.32Å; K428-L432 PolarHBondContact O-N 3.5Å; K428-E457 PolarHBondContact N-OE2 2.97Å; K428-E461 VanDerWaalsContact CE-CD 3.44Å; K428-E461 WeakPolarHBondContact CE-OE1 3.25Å; K428-E461 WeakPolarHBondContact CE-OE2 3.43Å; K428-E461 IonicContact NZ-OE1 3.48Å; K428-E461 PolarHBondContact NZ-OE1 3.39Å; K428-E461 IonicContact NZ-OE2 2.75Å; K428-E461 PolarHBondContact NZ-OE2 2.75Å |
| 429 | Y | 79.2 | Confident | 79.4 | Confident | 140 Ų | 140 | 49.5 Ų | 49.5 | 55% | 0.549 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.8 | -44.5 | -177.2 | -85.3 | -85.1 | 0 | 0 | 0 | 112.7 | P393 N427 S431 L432 E433 | P393-Y429 HydrophobicContact CG-CD1 4.24Å; P393-Y429 HydrophobicContact CG-CD2 4.36Å; P393-Y429 HydrophobicContact CG-CG 4.14Å; N427-Y429 VanDerWaalsContact C-N 3.34Å; N427-Y429 PolarHBondContact O-N 2.81Å; N427-Y429 PolarHBondContact OD1-N 2.87Å; Y429-S431 VanDerWaalsContact C-N 3.33Å; Y429-S431 PolarHBondContact O-N 3.32Å; Y429-L432 PolarHBondContact O-N 3.34Å; Y429-E433 WeakPolarHBondContact O-CB 3.05Å; Y429-E433 WeakPolarHBondContact O-CG 3.29Å; Y429-E433 PolarHBondContact O-N 3Å |
| 430 | E | 83.5 | Confident | 79.2 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 176.1 | -72 | 166.3 | 171.5 | 0 | 0 | 111.5 | R391 I396 F417 L420 L426 N427 E433 L434 | R391-E430 VanDerWaalsContact CB-OE1 3.28Å; R391-E430 WeakPolarHBondContact CB-OE1 3.19Å; R391-E430 IonicContact CZ-OE1 2.59Å; R391-E430 IonicContact CZ-OE2 3.74Å; R391-E430 IonicContact NE-OE1 3.63Å; R391-E430 PolarHBondContact NE-OE1 2.84Å; R391-E430 IonicContact NE-OE2 3.01Å; R391-E430 PolarHBondContact NE-OE2 3.25Å; R391-E430 IonicContact NH2-OE1 2.69Å; R391-E430 IonicContact NH2-OE2 3.75Å; R391-E430 PolarHBondContact NH2-OE2 3.31Å; I396-E430 HydrophobicContact CD1-CG 3.73Å; F417-E430 HydrophobicContact CE1-CB 3.92Å; F417-E430 HydrophobicContact CE1-CG 4.19Å; L420-E430 HydrophobicContact CD1-CG 4.34Å; L420-E430 WeakPolarHBondContact CD1-OE1 3.37Å; L426-E430 VanDerWaalsContact CA-OE2 3.32Å; L426-E430 WeakPolarHBondContact CA-OE2 3.47Å; L426-E430 HydrophobicContact CB-CB 3.97Å; L426-E430 HydrophobicContact CD2-CB 4.23Å; L426-E430 HydrophobicContact CG-CB 4.49Å; N427-E430 PolarHBondContact N-OE2 3.21Å; N427-E430 PolarHBondContact O-N 3.24Å; N427-E430 WeakPolarHBondContact OD1-CB 3.13Å; N427-E430 WeakPolarHBondContact OD1-CG 3.34Å; N427-E430 PolarHBondContact OD1-N 3.4Å; E430-E433 PolarHBondContact O-N 3.31Å; E430-L434 VanDerWaalsContact O-CB 3.23Å; E430-L434 WeakPolarHBondContact O-CB 3.3Å; E430-L434 PolarHBondContact O-N 3.27Å |
| 431 | S | 85 | Confident | 79.1 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 176.9 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | L426 N427 K428 Y429 C435 E457 | L426-S431 WeakPolarHBondContact CB-OG 3.42Å; L426-S431 PolarHBondContact O-OG 3.48Å; N427-S431 VanDerWaalsContact O-CB 3.29Å; N427-S431 WeakPolarHBondContact O-CB 3.46Å; N427-S431 PolarHBondContact O-N 2.95Å; N427-S431 PolarHBondContact O-OG 3.45Å; K428-S431 PolarHBondContact O-N 2.88Å; Y429-S431 VanDerWaalsContact C-N 3.33Å; Y429-S431 PolarHBondContact O-N 3.32Å; S431-C435 WeakPolarHBondContact O-CB 3.43Å; S431-C435 PolarHBondContact O-N 3.43Å; S431-C435 PolarHBondContact O-SG 3.3Å; S431-E457 PolarHBondContact OG-N 2.99Å |
| 432 | L | 81.7 | Confident | 78.9 | Confident | 10 Ų | 10 | 62.4 Ų | 62.4 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.6 | -48 | 177.6 | -71.1 | 169.1 | 0 | 0 | 0 | 112.4 | K428 Y429 L434 C435 R436 E461 L462 L465 | K428-L432 HydrophobicContact CG-CD1 4.1Å; K428-L432 VanDerWaalsContact O-CG 3.24Å; K428-L432 WeakPolarHBondContact O-CG 3.32Å; K428-L432 PolarHBondContact O-N 3.5Å; Y429-L432 PolarHBondContact O-N 3.34Å; L432-L434 VanDerWaalsContact C-N 3.34Å; L432-L434 PolarHBondContact O-N 3.29Å; L432-C435 PolarHBondContact O-N 3.04Å; L432-R436 VanDerWaalsContact O-CB 3.25Å; L432-R436 WeakPolarHBondContact O-CB 3.49Å; L432-R436 PolarHBondContact O-N 2.88Å; L432-E461 HydrophobicContact CD1-CB 4.33Å; L432-E461 VanDerWaalsContact CD1-OE2 3.28Å; L432-E461 WeakPolarHBondContact CD1-OE2 3.38Å; L432-E461 HydrophobicContact CD2-CB 4.14Å; L432-L462 HydrophobicContact CD2-CB 3.98Å; L432-L462 HydrophobicContact CD2-CD1 4.2Å; L432-L465 HydrophobicContact CD2-CD1 3.63Å |
| 433 | E | 79.8 | Confident | 79 | Confident | 57 Ų | 57 | 62.7 Ų | 62.7 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.2 | -30.9 | -178.8 | -73.5 | -63.9 | 122.9 | 0 | 0 | 112.9 | Q400 F417 Y429 E430 R436 P437 | Q400-E433 PolarHBondContact NE2-OE2 3.34Å; F417-E433 HydrophobicContact CZ-CB 4.24Å; Y429-E433 WeakPolarHBondContact O-CB 3.05Å; Y429-E433 WeakPolarHBondContact O-CG 3.29Å; Y429-E433 PolarHBondContact O-N 3Å; E430-E433 PolarHBondContact O-N 3.31Å; E433-R436 IonicContact OE1-NH1 3.32Å; E433-R436 PolarHBondContact OE1-NH1 3.38Å; E433-P437 WeakPolarHBondContact O-CD 3.43Å; E433-P437 WeakPolarHBondContact O-CG 3.03Å |
| 434 | L | 81.7 | Confident | 79.4 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -73.1 | -44.4 | 172 | -179.3 | 64.4 | 0 | 0 | 0 | 111.7 | F417 L421 L426 E430 L432 P437 L438 W450 | F417-L434 HydrophobicContact CB-CD1 4.29Å; F417-L434 HydrophobicContact CD1-CB 4.49Å; F417-L434 HydrophobicContact CD2-CD1 4.14Å; F417-L434 HydrophobicContact CE1-CB 4.37Å; F417-L434 HydrophobicContact CG-CD1 4.15Å; F417-L434 HydrophobicContact CZ-CB 4.42Å; L421-L434 HydrophobicContact CD1-CD2 4.11Å; L421-L434 HydrophobicContact CD2-CD2 4.45Å; L426-L434 HydrophobicContact CD1-CB 4.48Å; L426-L434 HydrophobicContact CD1-CD2 3.41Å; L426-L434 VanDerWaalsContact CD1-CD2 3.41Å; E430-L434 VanDerWaalsContact O-CB 3.23Å; E430-L434 WeakPolarHBondContact O-CB 3.3Å; E430-L434 PolarHBondContact O-N 3.27Å; L432-L434 VanDerWaalsContact C-N 3.34Å; L432-L434 PolarHBondContact O-N 3.29Å; L434-P437 WeakPolarHBondContact O-CD 3.25Å; L434-P437 WeakPolarHBondContact O-CG 3.1Å; L434-L438 HydrophobicContact CD1-CD1 4.13Å; L434-L438 HydrophobicContact CG-CD1 4.03Å; L434-L438 WeakPolarHBondContact O-CD1 3.35Å; L434-L438 WeakPolarHBondContact O-CG 3.5Å; L434-W450 HydrophobicContact CD1-CH2 4.31Å; L434-W450 HydrophobicContact CD1-CZ3 4.38Å; L434-W450 HydrophobicContact CD2-CE3 4Å; L434-W450 HydrophobicContact CD2-CH2 3.92Å; L434-W450 HydrophobicContact CD2-CZ3 3.49Å; L434-W450 VanDerWaalsContact CD2-CZ3 3.49Å; L434-W450 HydrophobicContact CG-CH2 4.28Å; L434-W450 HydrophobicContact CG-CZ3 3.86Å |
| 435 | C | 81.4 | Confident | 79.7 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -77.4 | -34.8 | -172 | -64.2 | 0 | 0 | 0 | 0 | 113.2 | S431 L432 L438 L439 L447 L462 | S431-C435 WeakPolarHBondContact O-CB 3.43Å; S431-C435 PolarHBondContact O-N 3.43Å; S431-C435 PolarHBondContact O-SG 3.3Å; L432-C435 PolarHBondContact O-N 3.04Å; C435-L438 PolarHBondContact O-N 3.07Å; C435-L438 VanDerWaalsContact O-N 3.14Å; C435-L439 WeakPolarHBondContact O-CB 3.3Å; C435-L439 WeakPolarHBondContact O-CG 3.29Å; C435-L439 PolarHBondContact O-N 2.55Å; C435-L447 HydrophobicContact CB-CD1 4.3Å; C435-L447 WeakPolarHBondContact SG-CD1 3.42Å; C435-L462 HydrophobicContact CB-CD1 3.83Å |
| 436 | R | 80.4 | Confident | 79.7 | Confident | 134 Ų | 134 | 65.4 Ų | 65.4 | 51% | 0.506 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -52.6 | -51.6 | -179.6 | -174.8 | -177.8 | -84 | 151.3 | -9.1 | 113.2 | L432 E433 A440 | L432-R436 VanDerWaalsContact O-CB 3.25Å; L432-R436 WeakPolarHBondContact O-CB 3.49Å; L432-R436 PolarHBondContact O-N 2.88Å; E433-R436 IonicContact OE1-NH1 3.32Å; E433-R436 PolarHBondContact OE1-NH1 3.38Å; R436-A440 PolarHBondContact O-N 3.07Å |
| 437 | P | 77.5 | Confident | 79.6 | Confident | 65 Ų | 65 | 65.6 Ų | 65.6 | 42% | 0.422 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.3 | -30.4 | 176.1 | 25.6 | -32.4 | 0 | 0 | 0 | 113.7 | E433 L434 Q441 | E433-P437 WeakPolarHBondContact O-CD 3.43Å; E433-P437 WeakPolarHBondContact O-CG 3.03Å; L434-P437 WeakPolarHBondContact O-CD 3.25Å; L434-P437 WeakPolarHBondContact O-CG 3.1Å; P437-Q441 WeakPolarHBondContact O-CG 3.32Å; P437-Q441 PolarHBondContact O-N 2.99Å; P437-Q441 VanDerWaalsContact O-N 3.14Å |
| 438 | L | 78.3 | Confident | 79.6 | Confident | 28 Ų | 28 | 67.5 Ų | 67.5 | 15% | 0.147 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.6 | -39.7 | 178.5 | -76.5 | 167.4 | 0 | 0 | 0 | 112.7 | L434 C435 Q441 N442 R443 W450 | L434-L438 HydrophobicContact CD1-CD1 4.13Å; L434-L438 HydrophobicContact CG-CD1 4.03Å; L434-L438 WeakPolarHBondContact O-CD1 3.35Å; L434-L438 WeakPolarHBondContact O-CG 3.5Å; C435-L438 PolarHBondContact O-N 3.07Å; C435-L438 VanDerWaalsContact O-N 3.14Å; L438-Q441 PolarHBondContact O-N 3.38Å; L438-N442 PolarHBondContact O-N 3.28Å; L438-R443 HydrophobicContact CD2-CB 4.15Å; L438-R443 PolarHBondContact O-N 3.36Å; L438-W450 HydrophobicContact CD1-CE3 4.49Å; L438-W450 HydrophobicContact CD1-CH2 3.59Å; L438-W450 HydrophobicContact CD1-CZ3 3.28Å |
| 439 | L | 78.1 | Confident | 79.7 | Confident | 11 Ų | 11 | 70.5 Ų | 70.5 | 6% | 0.058 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 174.3 | -70.9 | 172.1 | 0 | 0 | 0 | 110.8 | C435 Q441 N442 L447 L465 V466 | C435-L439 WeakPolarHBondContact O-CB 3.3Å; C435-L439 WeakPolarHBondContact O-CG 3.29Å; C435-L439 PolarHBondContact O-N 2.55Å; L439-Q441 PolarHBondContact O-N 2.91Å; L439-N442 PolarHBondContact O-N 3.47Å; L439-L447 HydrophobicContact CD2-CD2 4.01Å; L439-L465 HydrophobicContact CD1-CB 4.23Å; L439-V466 HydrophobicContact CD1-CG2 4.14Å |
| 440 | A | 75.7 | Confident | 79.9 | Confident | 86 Ų | 86 | 65.6 Ų | 65.6 | 71% | 0.711 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.8 | -28 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R436 N442 | R436-A440 PolarHBondContact O-N 3.07Å; A440-N442 VanDerWaalsContact C-N 3.35Å |
| 441 | Q | 78.6 | Confident | 79.8 | Confident | 114 Ų | 114 | 66 Ų | 66 | 53% | 0.533 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 7.4 | 174.6 | -68.7 | 178.3 | 15.3 | 0 | 0 | 113.9 | P437 L438 L439 R443 | P437-Q441 WeakPolarHBondContact O-CG 3.32Å; P437-Q441 PolarHBondContact O-N 2.99Å; P437-Q441 VanDerWaalsContact O-N 3.14Å; L438-Q441 PolarHBondContact O-N 3.38Å; L439-Q441 PolarHBondContact O-N 2.91Å; Q441-R443 HydrophobicContact CB-CG 4.14Å; Q441-R443 PolarHBondContact O-N 3.23Å |
| 442 | N | 73.3 | Confident | 79.6 | Confident | 134 Ų | 134 | 74.1 Ų | 74.1 | 72% | 0.717 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 25.1 | -175.3 | -95.2 | -15.2 | 0 | 0 | 0 | 114.9 | L438 L439 A440 K444 | L438-N442 PolarHBondContact O-N 3.28Å; L439-N442 PolarHBondContact O-N 3.47Å; A440-N442 VanDerWaalsContact C-N 3.35Å; N442-K444 VanDerWaalsContact C-N 3.32Å; N442-K444 PolarHBondContact O-N 3.39Å |
| 443 | R | 78.5 | Confident | 79.5 | Confident | 137 Ų | 137 | 77.4 Ų | 77.4 | 52% | 0.517 | 37% | 0.37 | S | S | . | . | trans | -91.5 | 49.8 | -178.5 | -69 | -172.2 | 178.3 | -175.8 | 2.2 | 113 | L438 Q441 Q445 F446 | L438-R443 HydrophobicContact CD2-CB 4.15Å; L438-R443 PolarHBondContact O-N 3.36Å; Q441-R443 HydrophobicContact CB-CG 4.14Å; Q441-R443 PolarHBondContact O-N 3.23Å; R443-Q445 VanDerWaalsContact C-N 3.29Å; R443-Q445 PolarHBondContact O-N 2.89Å; R443-F446 HydrophobicContact CB-CD2 4.1Å; R443-F446 PolarHBondContact O-N 2.94Å | ||
| 444 | K | 78.3 | Confident | 79.5 | Confident | 82 Ų | 82 | 79.1 Ų | 79.1 | 36% | 0.357 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.7 | -23.4 | -173.7 | 69.4 | 176.3 | -170.8 | 169.6 | 0 | 115.5 | N442 F446 L447 E448 D470 | N442-K444 VanDerWaalsContact C-N 3.32Å; N442-K444 PolarHBondContact O-N 3.39Å; K444-F446 VanDerWaalsContact C-N 3.26Å; K444-F446 PolarHBondContact O-N 2.88Å; K444-L447 VanDerWaalsContact O-CB 3.29Å; K444-L447 WeakPolarHBondContact O-CB 3.46Å; K444-L447 PolarHBondContact O-N 3.03Å; K444-E448 PolarHBondContact O-N 3Å; K444-E448 VanDerWaalsContact O-N 3.1Å; K444-D470 IonicContact NZ-OD2 3.85Å; K444-D470 PolarHBondContact NZ-OD2 2.77Å |
| 445 | Q | 80.5 | Confident | 79.6 | Confident | 153 Ų | 153 | 81 Ų | 81 | 72% | 0.715 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60.3 | -32.3 | 179.3 | -65.2 | 175.1 | 1.6 | 0 | 0 | 113.3 | R443 K449 | R443-Q445 VanDerWaalsContact C-N 3.29Å; R443-Q445 PolarHBondContact O-N 2.89Å; Q445-K449 PolarHBondContact O-N 3.31Å; Q445-K449 VanDerWaalsContact O-N 3.14Å |
| 446 | F | 78.9 | Confident | 79.6 | Confident | 102 Ų | 102 | 81.2 Ų | 81.2 | 45% | 0.447 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69.4 | -37.6 | 175.3 | -70.1 | -76.6 | 0 | 0 | 0 | 111.7 | R443 K444 K449 W450 | R443-F446 HydrophobicContact CB-CD2 4.1Å; R443-F446 PolarHBondContact O-N 2.94Å; K444-F446 VanDerWaalsContact C-N 3.26Å; K444-F446 PolarHBondContact O-N 2.88Å; F446-K449 PolarHBondContact O-N 3.33Å; F446-W450 HydrophobicContact CB-CE3 4.44Å; F446-W450 HydrophobicContact CB-CH2 4.11Å; F446-W450 HydrophobicContact CB-CZ2 4.26Å; F446-W450 HydrophobicContact CB-CZ3 4.21Å; F446-W450 HydrophobicContact CD1-CZ2 4.44Å; F446-W450 VanDerWaalsContact O-CD2 3.3Å; F446-W450 VanDerWaalsContact O-CG 3.31Å; F446-W450 PolarHBondContact O-N 3.29Å |
| 447 | L | 80.5 | Confident | 79.7 | Confident | 5 Ų | 5 | 79 Ų | 79 | 3% | 0.026 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 176.3 | -175.1 | 67.6 | 0 | 0 | 0 | 110.7 | C435 L439 K444 K449 W450 L451 L456 V466 L473 | C435-L447 HydrophobicContact CB-CD1 4.3Å; C435-L447 WeakPolarHBondContact SG-CD1 3.42Å; L439-L447 HydrophobicContact CD2-CD2 4.01Å; K444-L447 VanDerWaalsContact O-CB 3.29Å; K444-L447 WeakPolarHBondContact O-CB 3.46Å; K444-L447 PolarHBondContact O-N 3.03Å; L447-K449 VanDerWaalsContact C-N 3.35Å; L447-K449 PolarHBondContact O-N 3.17Å; L447-W450 PolarHBondContact O-N 2.76Å; L447-L451 VanDerWaalsContact O-CB 3.23Å; L447-L451 WeakPolarHBondContact O-CB 3.2Å; L447-L451 PolarHBondContact O-N 3.03Å; L447-L456 HydrophobicContact CD1-CD1 3.44Å; L447-L456 VanDerWaalsContact CD1-CD1 3.44Å; L447-V466 HydrophobicContact CD2-CG2 3.61Å; L447-L473 HydrophobicContact CB-CD2 4.44Å; L447-L473 HydrophobicContact CD2-CD2 3.56Å; L447-L473 HydrophobicContact CD2-CG 4.49Å; L447-L473 HydrophobicContact CG-CD2 4.01Å |
| 448 | E | 80.2 | Confident | 79.9 | Confident | 81 Ų | 81 | 76.8 Ų | 76.8 | 38% | 0.379 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.2 | -46 | 175.4 | -71.3 | 169.6 | -169.9 | 0 | 0 | 112 | K444 L451 K452 L473 | K444-E448 PolarHBondContact O-N 3Å; K444-E448 VanDerWaalsContact O-N 3.1Å; E448-L451 PolarHBondContact O-N 3.45Å; E448-K452 WeakPolarHBondContact O-CB 3.27Å; E448-K452 PolarHBondContact O-N 2.83Å; E448-L473 HydrophobicContact CG-CD1 3.94Å; E448-L473 HydrophobicContact CG-CD2 4.06Å |
| 449 | K | 83.5 | Confident | 80.2 | Confident | 129 Ų | 129 | 76 Ų | 76 | 56% | 0.561 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.9 | -49.3 | 178.1 | -174.9 | 180 | 178 | -179.4 | 0 | 111.7 | Q445 F446 L447 L451 K452 D453 | Q445-K449 PolarHBondContact O-N 3.31Å; Q445-K449 VanDerWaalsContact O-N 3.14Å; F446-K449 PolarHBondContact O-N 3.33Å; L447-K449 VanDerWaalsContact C-N 3.35Å; L447-K449 PolarHBondContact O-N 3.17Å; K449-L451 VanDerWaalsContact C-N 3.31Å; K449-L451 PolarHBondContact O-N 3.4Å; K449-K452 PolarHBondContact O-N 2.88Å; K449-D453 PolarHBondContact O-N 3.41Å |
| 450 | W | 83 | Confident | 80.5 | Confident | 38 Ų | 38 | 80.1 Ų | 80.1 | 14% | 0.144 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69.1 | -30.1 | -179.3 | -64.4 | -30.4 | 0 | 0 | 0 | 113.2 | L421 L434 L438 F446 L447 N454 K455 L456 | L421-W450 HydrophobicContact CD1-CD2 4.46Å; L421-W450 HydrophobicContact CD1-CH2 4.19Å; L421-W450 HydrophobicContact CD1-CZ2 3.66Å; L421-W450 HydrophobicContact CD2-CD2 4.3Å; L421-W450 HydrophobicContact CD2-CG 4.31Å; L434-W450 HydrophobicContact CD1-CH2 4.31Å; L434-W450 HydrophobicContact CD1-CZ3 4.38Å; L434-W450 HydrophobicContact CD2-CE3 4Å; L434-W450 HydrophobicContact CD2-CH2 3.92Å; L434-W450 HydrophobicContact CD2-CZ3 3.49Å; L434-W450 VanDerWaalsContact CD2-CZ3 3.49Å; L434-W450 HydrophobicContact CG-CH2 4.28Å; L434-W450 HydrophobicContact CG-CZ3 3.86Å; L438-W450 HydrophobicContact CD1-CE3 4.49Å; L438-W450 HydrophobicContact CD1-CH2 3.59Å; L438-W450 HydrophobicContact CD1-CZ3 3.28Å; F446-W450 HydrophobicContact CB-CE3 4.44Å; F446-W450 HydrophobicContact CB-CH2 4.11Å; F446-W450 HydrophobicContact CB-CZ2 4.26Å; F446-W450 HydrophobicContact CB-CZ3 4.21Å; F446-W450 HydrophobicContact CD1-CZ2 4.44Å; F446-W450 VanDerWaalsContact O-CD2 3.3Å; F446-W450 VanDerWaalsContact O-CG 3.31Å; F446-W450 PolarHBondContact O-N 3.29Å; L447-W450 PolarHBondContact O-N 2.76Å; W450-N454 PolarHBondContact O-N 3.43Å; W450-K455 HydrophobicContact CB-CB 4.24Å; W450-K455 PolarHBondContact O-N 3.21Å; W450-L456 HydrophobicContact CB-CD1 3.83Å; W450-L456 HydrophobicContact CB-CG 3.95Å |
| 451 | L | 80.1 | Confident | 80.8 | Confident | 9 Ų | 9 | 80.5 Ų | 80.5 | 5% | 0.047 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.2 | -44.3 | 171.5 | -159.5 | 118.2 | 0 | 0 | 0 | 110 | L447 E448 K449 D453 N454 L473 S476 V477 R480 | L447-L451 VanDerWaalsContact O-CB 3.23Å; L447-L451 WeakPolarHBondContact O-CB 3.2Å; L447-L451 PolarHBondContact O-N 3.03Å; E448-L451 PolarHBondContact O-N 3.45Å; K449-L451 VanDerWaalsContact C-N 3.31Å; K449-L451 PolarHBondContact O-N 3.4Å; L451-D453 VanDerWaalsContact C-N 3.31Å; L451-D453 PolarHBondContact O-N 2.85Å; L451-N454 PolarHBondContact O-N 3.43Å; L451-N454 VanDerWaalsContact O-N 3.16Å; L451-L473 HydrophobicContact CD2-CD1 4.36Å; L451-S476 WeakPolarHBondContact CD2-OG 3.27Å; L451-V477 HydrophobicContact CD1-CG2 3.58Å; L451-R480 PolarHBondContact O-NH1 2.87Å; L451-R480 PolarHBondContact O-NH2 3.25Å |
| 452 | K | 81.9 | Confident | 81 | Confident | 170 Ų | 170 | 75.1 Ų | 75.1 | 74% | 0.739 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.5 | -38.3 | 175.3 | -168.3 | 175.8 | -179.3 | 178.1 | 0 | 112.9 | E448 K449 N454 | E448-K452 WeakPolarHBondContact O-CB 3.27Å; E448-K452 PolarHBondContact O-N 2.83Å; K449-K452 PolarHBondContact O-N 2.88Å; K452-N454 PolarHBondContact O-N 2.98Å |
| 453 | D | 80.5 | Confident | 81.6 | Confident | 79 Ų | 79 | 68.7 Ų | 68.7 | 42% | 0.422 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | 5 | 178.8 | -64.7 | -12 | 0 | 0 | 0 | 113.5 | K449 L451 K455 | K449-D453 PolarHBondContact O-N 3.41Å; L451-D453 VanDerWaalsContact C-N 3.31Å; L451-D453 PolarHBondContact O-N 2.85Å; D453-K455 HydrophobicContact CB-CD 4.19Å; D453-K455 HydrophobicContact CB-CG 3.86Å; D453-K455 PolarHBondContact O-N 2.94Å |
| 454 | N | 79.1 | Confident | 81.9 | Confident | 93 Ų | 93 | 65.1 Ų | 65.1 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 36.1 | -175.9 | -64.6 | -36.2 | 0 | 0 | 0 | 114.1 | M425 W450 L451 K452 R480 | M425-N454 HydrophobicContact CE-CB 4.35Å; M425-N454 WeakPolarHBondContact CE-O 3.43Å; W450-N454 PolarHBondContact O-N 3.43Å; L451-N454 PolarHBondContact O-N 3.43Å; L451-N454 VanDerWaalsContact O-N 3.16Å; K452-N454 PolarHBondContact O-N 2.98Å; N454-R480 PolarHBondContact OD1-NH1 3.24Å |
| 455 | K | 82.7 | Confident | 82 | Confident | 50 Ų | 50 | 63.5 Ų | 63.5 | 22% | 0.217 | 30% | 0.301 | C | S | . | . | trans | -90.6 | -5.3 | -178.4 | -64.5 | -168.7 | 179.2 | -158.4 | 0 | 114.4 | L421 M425 L426 W450 D453 | L421-K455 HydrophobicContact CD2-CB 3.98Å; L421-K455 HydrophobicContact CD2-CD 4.06Å; L421-K455 WeakPolarHBondContact O-CD 3.37Å; L421-K455 WeakPolarHBondContact O-CE 3.41Å; L421-K455 PolarHBondContact O-NZ 3.39Å; M425-K455 CarbonylContact C-O 3.5Å; M425-K455 WeakPolarHBondContact CA-O 3.45Å; L426-K455 PolarHBondContact N-O 3.33Å; W450-K455 HydrophobicContact CB-CB 4.24Å; W450-K455 PolarHBondContact O-N 3.21Å; D453-K455 HydrophobicContact CB-CD 4.19Å; D453-K455 HydrophobicContact CB-CG 3.86Å; D453-K455 PolarHBondContact O-N 2.94Å | ||
| 456 | L | 82.3 | Confident | 82.2 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -120.5 | 133.9 | -176.8 | -59.4 | 171.3 | 0 | 0 | 0 | 110.7 | L426 L447 W450 C458 | L426-L456 HydrophobicContact CB-CD2 4.42Å; L426-L456 HydrophobicContact CD1-CD2 3.86Å; L426-L456 HydrophobicContact CG-CD2 4.49Å; L447-L456 HydrophobicContact CD1-CD1 3.44Å; L447-L456 VanDerWaalsContact CD1-CD1 3.44Å; W450-L456 HydrophobicContact CB-CD1 3.83Å; W450-L456 HydrophobicContact CB-CG 3.95Å; L456-C458 PolarHBondContact O-N 2.91Å |
| 457 | E | 82.2 | Confident | 82.4 | Confident | 87 Ų | 87 | 54 Ų | 54 | 41% | 0.407 | 26% | 0.257 | S | S | . | . | trans | -75.8 | 110.6 | 168.5 | -175.3 | 176.3 | -179.2 | 0 | 0 | 109.1 | L426 N427 K428 S431 | L426-E457 WeakPolarHBondContact O-CB 3.28Å; L426-E457 PolarHBondContact O-N 3.48Å; N427-E457 WeakPolarHBondContact CA-OE2 3.46Å; K428-E457 PolarHBondContact N-OE2 2.97Å; S431-E457 PolarHBondContact OG-N 2.99Å | ||
| 458 | C | 82.7 | Confident | 82.3 | Confident | 20 Ų | 20 | 60.6 Ų | 60.6 | 14% | 0.135 | 29% | 0.292 | C | S | . | . | trans | -74.7 | 128.2 | -178.9 | -62.7 | 0 | 0 | 0 | 0 | 109.9 | L456 V477 R480 A481 | L456-C458 PolarHBondContact O-N 2.91Å; C458-V477 HydrophobicContact CB-CG1 4.01Å; C458-V477 WeakPolarHBondContact CB-O 3.25Å; C458-R480 HydrophobicContact CB-CB 3.63Å; C458-A481 HydrophobicContact CB-CB 4.37Å; C458-A481 WeakPolarHBondContact O-CB 3.08Å | ||
| 459 | S | 84.1 | Confident | 82.3 | Confident | 12 Ų | 12 | 61.2 Ų | 61.2 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | trans | -136.3 | 161.6 | 178.6 | 62.8 | 0 | 0 | 0 | 0 | 110.9 | E461 L462 G463 | S459-E461 VanDerWaalsContact C-N 3.33Å; S459-E461 PolarHBondContact O-N 3.22Å; S459-L462 PolarHBondContact O-N 2.71Å; S459-L462 PolarHBondContact OG-N 2.98Å; S459-G463 PolarHBondContact O-N 3.07Å | ||
| 460 | E | 83.4 | Confident | 82.1 | Confident | 97 Ų | 97 | 56.9 Ų | 56.9 | 45% | 0.453 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.3 | -45.3 | 177.1 | -171.8 | 175.9 | -179.1 | 0 | 0 | 111.7 | L462 G463 D464 Y478 A483 | E460-L462 VanDerWaalsContact C-N 3.31Å; E460-L462 PolarHBondContact O-N 2.95Å; E460-G463 CarbonylContact O-C 3.37Å; E460-G463 WeakPolarHBondContact O-CA 3.44Å; E460-G463 PolarHBondContact O-N 2.88Å; E460-D464 PolarHBondContact O-N 3.37Å; E460-Y478 HydrophobicContact CG-CE1 4.26Å; E460-A483 HydrophobicContact CG-CB 4.45Å |
| 461 | E | 83.2 | Confident | 82 | Confident | 94 Ų | 94 | 58.5 Ų | 58.5 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.6 | -37.9 | 176.8 | -69.3 | 166 | -151.4 | 0 | 0 | 112.9 | K428 L432 S459 D464 L465 | K428-E461 VanDerWaalsContact CE-CD 3.44Å; K428-E461 WeakPolarHBondContact CE-OE1 3.25Å; K428-E461 WeakPolarHBondContact CE-OE2 3.43Å; K428-E461 IonicContact NZ-OE1 3.48Å; K428-E461 PolarHBondContact NZ-OE1 3.39Å; K428-E461 IonicContact NZ-OE2 2.75Å; K428-E461 PolarHBondContact NZ-OE2 2.75Å; L432-E461 HydrophobicContact CD1-CB 4.33Å; L432-E461 VanDerWaalsContact CD1-OE2 3.28Å; L432-E461 WeakPolarHBondContact CD1-OE2 3.38Å; L432-E461 HydrophobicContact CD2-CB 4.14Å; S459-E461 VanDerWaalsContact C-N 3.33Å; S459-E461 PolarHBondContact O-N 3.22Å; E461-D464 PolarHBondContact O-N 3.41Å; E461-L465 WeakPolarHBondContact O-CG 3.42Å; E461-L465 PolarHBondContact O-N 2.96Å; E461-L465 VanDerWaalsContact O-N 3.13Å |
| 462 | L | 83.1 | Confident | 82 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.6 | -41.1 | 175 | -177.6 | 67 | 0 | 0 | 0 | 110.3 | L432 C435 S459 E460 L465 V466 V477 | L432-L462 HydrophobicContact CD2-CB 3.98Å; L432-L462 HydrophobicContact CD2-CD1 4.2Å; C435-L462 HydrophobicContact CB-CD1 3.83Å; S459-L462 PolarHBondContact O-N 2.71Å; S459-L462 PolarHBondContact OG-N 2.98Å; E460-L462 VanDerWaalsContact C-N 3.31Å; E460-L462 PolarHBondContact O-N 2.95Å; L462-L465 PolarHBondContact O-N 3.25Å; L462-V466 WeakPolarHBondContact O-CG2 3.48Å; L462-V466 PolarHBondContact O-N 2.92Å; L462-V477 HydrophobicContact CB-CG1 4.08Å; L462-V477 HydrophobicContact CD2-CG1 4.04Å; L462-V477 HydrophobicContact CG-CG1 4.07Å |
| 463 | G | 84.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S459 E460 V466 K467 Y478 | S459-G463 PolarHBondContact O-N 3.07Å; E460-G463 CarbonylContact O-C 3.37Å; E460-G463 WeakPolarHBondContact O-CA 3.44Å; E460-G463 PolarHBondContact O-N 2.88Å; G463-V466 PolarHBondContact O-N 3.17Å; G463-K467 WeakPolarHBondContact O-CB 3.27Å; G463-K467 PolarHBondContact O-N 3.4Å; G463-Y478 VanDerWaalsContact C-CZ 3.41Å; G463-Y478 PolarHBondContact O-OH 3.02Å |
| 464 | D | 84.7 | Confident | 82 | Confident | 62 Ų | 62 | 48.8 Ų | 48.8 | 33% | 0.332 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 178.1 | -75.4 | -38.3 | 0 | 0 | 0 | 111.2 | E460 E461 V466 K467 Y478 K486 | E460-D464 PolarHBondContact O-N 3.37Å; E461-D464 PolarHBondContact O-N 3.41Å; D464-V466 VanDerWaalsContact C-N 3.32Å; D464-V466 PolarHBondContact O-N 3.47Å; D464-K467 PolarHBondContact O-N 2.88Å; D464-Y478 VanDerWaalsContact CA-OH 3.28Å; D464-Y478 WeakPolarHBondContact CA-OH 3.35Å; D464-Y478 PolarHBondContact N-OH 2.75Å; D464-Y478 VanDerWaalsContact N-OH 3.08Å; D464-Y478 PolarHBondContact OD1-OH 3.41Å; D464-K486 IonicContact OD1-NZ 3.87Å; D464-K486 PolarHBondContact OD1-NZ 3.41Å |
| 465 | L | 81.6 | Confident | 82.1 | Confident | 47 Ų | 47 | 45.4 Ų | 45.4 | 25% | 0.246 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.4 | -39.5 | 174.1 | -74.2 | 173.1 | 0 | 0 | 0 | 112.4 | L432 L439 E461 L462 H469 | L432-L465 HydrophobicContact CD2-CD1 3.63Å; L439-L465 HydrophobicContact CD1-CB 4.23Å; E461-L465 WeakPolarHBondContact O-CG 3.42Å; E461-L465 PolarHBondContact O-N 2.96Å; E461-L465 VanDerWaalsContact O-N 3.13Å; L462-L465 PolarHBondContact O-N 3.25Å; L465-H469 PolarHBondContact O-ND1 3.39Å |
| 466 | V | 84.8 | Confident | 82.1 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -74.7 | -35.5 | 179.4 | 177 | 0 | 0 | 0 | 0 | 111.2 | L439 L447 L462 G463 D464 L468 H469 D470 L473 A474 | L439-V466 HydrophobicContact CD1-CG2 4.14Å; L447-V466 HydrophobicContact CD2-CG2 3.61Å; L462-V466 WeakPolarHBondContact O-CG2 3.48Å; L462-V466 PolarHBondContact O-N 2.92Å; G463-V466 PolarHBondContact O-N 3.17Å; D464-V466 VanDerWaalsContact C-N 3.32Å; D464-V466 PolarHBondContact O-N 3.47Å; V466-L468 PolarHBondContact O-N 3.43Å; V466-L468 VanDerWaalsContact O-N 3.15Å; V466-H469 PolarHBondContact O-N 2.94Å; V466-D470 PolarHBondContact O-N 3.45Å; V466-L473 HydrophobicContact CG1-CB 3.7Å; V466-L473 HydrophobicContact CG1-CD2 3.9Å; V466-L473 HydrophobicContact CG1-CG 3.78Å; V466-A474 HydrophobicContact CB-CB 4.27Å; V466-A474 HydrophobicContact CG1-CB 4.08Å |
| 467 | K | 81.4 | Confident | 82.2 | Confident | 54 Ų | 54 | 44.4 Ų | 44.4 | 24% | 0.235 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.4 | -30.7 | -178.7 | -173.5 | 170.8 | -178.4 | 167.2 | 0 | 112.6 | G463 D464 H469 T471 A474 E493 | G463-K467 WeakPolarHBondContact O-CB 3.27Å; G463-K467 PolarHBondContact O-N 3.4Å; D464-K467 PolarHBondContact O-N 2.88Å; K467-H469 PolarHBondContact O-N 3.21Å; K467-T471 HydrophobicContact CG-CG2 4.42Å; K467-A474 HydrophobicContact CB-CB 3.84Å; K467-E493 WeakPolarHBondContact CE-OE2 3.37Å; K467-E493 IonicContact NZ-OE1 2.74Å; K467-E493 PolarHBondContact NZ-OE1 3.47Å; K467-E493 IonicContact NZ-OE2 3.09Å; K467-E493 PolarHBondContact NZ-OE2 2.91Å |
| 468 | L | 80.1 | Confident | 82.4 | Confident | 144 Ų | 144 | 40.2 Ų | 40.2 | 75% | 0.754 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.5 | 174.7 | -64.7 | 172.9 | 0 | 0 | 0 | 113.8 | V466 | V466-L468 PolarHBondContact O-N 3.43Å; V466-L468 VanDerWaalsContact O-N 3.15Å |
| 469 | H | 78.9 | Confident | 82.3 | Confident | 94 Ų | 94 | 43.3 Ų | 43.3 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -39.1 | -175.7 | -59.4 | 79.6 | 0 | 0 | 0 | 112.6 | L465 V466 K467 | L465-H469 PolarHBondContact O-ND1 3.39Å; V466-H469 PolarHBondContact O-N 2.94Å; K467-H469 PolarHBondContact O-N 3.21Å |
| 470 | D | 80.8 | Confident | 82.1 | Confident | 39 Ų | 39 | 48 Ų | 48 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | trans | -153.6 | 111.8 | -174.3 | -162.9 | -49.8 | 0 | 0 | 0 | 111.6 | K444 V466 G472 L473 A474 | K444-D470 IonicContact NZ-OD2 3.85Å; K444-D470 PolarHBondContact NZ-OD2 2.77Å; V466-D470 PolarHBondContact O-N 3.45Å; D470-G472 PolarHBondContact OD1-N 3.41Å; D470-L473 HydrophobicContact CB-CB 4.01Å; D470-L473 PolarHBondContact OD1-N 3.21Å; D470-A474 WeakPolarHBondContact O-CB 3.49Å; D470-A474 PolarHBondContact O-N 3.06Å; D470-A474 VanDerWaalsContact O-N 3.07Å | ||
| 471 | T | 79.7 | Confident | 81.9 | Confident | 71 Ų | 71 | 45.2 Ų | 45.2 | 44% | 0.436 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.8 | -33.4 | 179.9 | 44.2 | 0 | 0 | 0 | 0 | 112.9 | K467 A474 L475 | K467-T471 HydrophobicContact CG-CG2 4.42Å; T471-A474 PolarHBondContact O-N 2.91Å; T471-L475 PolarHBondContact O-N 2.8Å |
| 472 | G | 79.8 | Confident | 81.6 | Confident | 38 Ų | 38 | 43.1 Ų | 43.1 | 39% | 0.392 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.4 | -42.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D470 L475 S476 | D470-G472 PolarHBondContact OD1-N 3.41Å; G472-L475 WeakPolarHBondContact O-CB 3.32Å; G472-L475 PolarHBondContact O-N 3.19Å; G472-S476 PolarHBondContact O-N 3.38Å |
| 473 | L | 80.4 | Confident | 81.4 | Confident | 17 Ų | 17 | 44 Ų | 44 | 9% | 0.089 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.3 | -38.6 | 174.2 | -168.4 | 61.7 | 0 | 0 | 0 | 111.2 | L447 E448 L451 V466 D470 L475 S476 V477 | L447-L473 HydrophobicContact CB-CD2 4.44Å; L447-L473 HydrophobicContact CD2-CD2 3.56Å; L447-L473 HydrophobicContact CD2-CG 4.49Å; L447-L473 HydrophobicContact CG-CD2 4.01Å; E448-L473 HydrophobicContact CG-CD1 3.94Å; E448-L473 HydrophobicContact CG-CD2 4.06Å; L451-L473 HydrophobicContact CD2-CD1 4.36Å; V466-L473 HydrophobicContact CG1-CB 3.7Å; V466-L473 HydrophobicContact CG1-CD2 3.9Å; V466-L473 HydrophobicContact CG1-CG 3.78Å; D470-L473 HydrophobicContact CB-CB 4.01Å; D470-L473 PolarHBondContact OD1-N 3.21Å; L473-L475 PolarHBondContact O-N 3.03Å; L473-S476 PolarHBondContact O-N 3.06Å; L473-S476 PolarHBondContact O-OG 2.93Å; L473-V477 WeakPolarHBondContact O-CG2 3.23Å; L473-V477 PolarHBondContact O-N 2.84Å |
| 474 | A | 83.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V466 K467 D470 T471 S476 V477 Y478 | V466-A474 HydrophobicContact CB-CB 4.27Å; V466-A474 HydrophobicContact CG1-CB 4.08Å; K467-A474 HydrophobicContact CB-CB 3.84Å; D470-A474 WeakPolarHBondContact O-CB 3.49Å; D470-A474 PolarHBondContact O-N 3.06Å; D470-A474 VanDerWaalsContact O-N 3.07Å; T471-A474 PolarHBondContact O-N 2.91Å; A474-S476 VanDerWaalsContact C-N 3.28Å; A474-S476 PolarHBondContact O-N 3.35Å; A474-V477 WeakPolarHBondContact O-CB 3.48Å; A474-V477 PolarHBondContact O-N 2.99Å; A474-V477 VanDerWaalsContact O-N 3.09Å; A474-Y478 HydrophobicContact CB-CD2 4.37Å; A474-Y478 HydrophobicContact CB-CE2 3.91Å; A474-Y478 WeakPolarHBondContact O-CD2 3.3Å; A474-Y478 PolarHBondContact O-N 2.94Å |
| 475 | L | 81.2 | Confident | 80.7 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -54.7 | -44.7 | 173.9 | 177.2 | 70 | 0 | 0 | 0 | 111.4 | T471 G472 L473 V477 Y478 L479 V487 C490 F491 | T471-L475 PolarHBondContact O-N 2.8Å; G472-L475 WeakPolarHBondContact O-CB 3.32Å; G472-L475 PolarHBondContact O-N 3.19Å; L473-L475 PolarHBondContact O-N 3.03Å; L475-V477 VanDerWaalsContact C-N 3.3Å; L475-V477 PolarHBondContact O-N 2.88Å; L475-Y478 PolarHBondContact O-N 2.97Å; L475-L479 WeakPolarHBondContact O-CB 3.28Å; L475-L479 PolarHBondContact O-N 2.88Å; L475-V487 HydrophobicContact CD1-CG1 4.25Å; L475-C490 HydrophobicContact CB-CB 4.24Å; L475-C490 HydrophobicContact CD1-CB 3.55Å; L475-C490 HydrophobicContact CG-CB 4.45Å; L475-F491 HydrophobicContact CD1-CD1 3.94Å; L475-F491 HydrophobicContact CD1-CE1 3.88Å; L475-F491 HydrophobicContact CD1-CG 4.32Å; L475-F491 HydrophobicContact CD1-CZ 4.22Å; L475-F491 HydrophobicContact CD2-CD1 4.05Å; L475-F491 HydrophobicContact CD2-CE1 3.83Å; L475-F491 HydrophobicContact CG-CE1 4.34Å |
| 476 | S | 82.3 | Confident | 80.6 | Confident | 34 Ų | 34 | 45 Ų | 45 | 24% | 0.238 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.5 | -34.4 | 178.9 | 77.6 | 0 | 0 | 0 | 0 | 113 | L451 G472 L473 A474 R480 | L451-S476 WeakPolarHBondContact CD2-OG 3.27Å; G472-S476 PolarHBondContact O-N 3.38Å; L473-S476 PolarHBondContact O-N 3.06Å; L473-S476 PolarHBondContact O-OG 2.93Å; A474-S476 VanDerWaalsContact C-N 3.28Å; A474-S476 PolarHBondContact O-N 3.35Å; S476-R480 WeakPolarHBondContact O-CD 3.4Å; S476-R480 WeakPolarHBondContact O-CG 3.5Å; S476-R480 PolarHBondContact O-N 3.43Å |
| 477 | V | 84.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.2 | -49 | 175.3 | 179 | 0 | 0 | 0 | 0 | 110.2 | L451 C458 L462 L473 A474 L475 L479 R480 A481 | L451-V477 HydrophobicContact CD1-CG2 3.58Å; C458-V477 HydrophobicContact CB-CG1 4.01Å; C458-V477 WeakPolarHBondContact CB-O 3.25Å; L462-V477 HydrophobicContact CB-CG1 4.08Å; L462-V477 HydrophobicContact CD2-CG1 4.04Å; L462-V477 HydrophobicContact CG-CG1 4.07Å; L473-V477 WeakPolarHBondContact O-CG2 3.23Å; L473-V477 PolarHBondContact O-N 2.84Å; A474-V477 WeakPolarHBondContact O-CB 3.48Å; A474-V477 PolarHBondContact O-N 2.99Å; A474-V477 VanDerWaalsContact O-N 3.09Å; L475-V477 VanDerWaalsContact C-N 3.3Å; L475-V477 PolarHBondContact O-N 2.88Å; V477-L479 VanDerWaalsContact C-N 3.32Å; V477-L479 PolarHBondContact O-N 3.36Å; V477-R480 PolarHBondContact O-N 2.95Å; V477-A481 WeakPolarHBondContact O-CB 3.49Å; V477-A481 PolarHBondContact O-N 2.98Å |
| 478 | Y | 85.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 179.9 | -65.6 | -51.6 | 0 | 0 | 0 | 112.8 | E460 G463 D464 A474 L475 R480 A481 G482 A483 K486 | E460-Y478 HydrophobicContact CG-CE1 4.26Å; G463-Y478 VanDerWaalsContact C-CZ 3.41Å; G463-Y478 PolarHBondContact O-OH 3.02Å; D464-Y478 VanDerWaalsContact CA-OH 3.28Å; D464-Y478 WeakPolarHBondContact CA-OH 3.35Å; D464-Y478 PolarHBondContact N-OH 2.75Å; D464-Y478 VanDerWaalsContact N-OH 3.08Å; D464-Y478 PolarHBondContact OD1-OH 3.41Å; A474-Y478 HydrophobicContact CB-CD2 4.37Å; A474-Y478 HydrophobicContact CB-CE2 3.91Å; A474-Y478 WeakPolarHBondContact O-CD2 3.3Å; A474-Y478 PolarHBondContact O-N 2.94Å; L475-Y478 PolarHBondContact O-N 2.97Å; Y478-R480 VanDerWaalsContact C-N 3.3Å; Y478-R480 PolarHBondContact O-N 2.72Å; Y478-A481 PolarHBondContact O-N 3.15Å; Y478-G482 PolarHBondContact O-N 3.42Å; Y478-A483 HydrophobicContact CD1-CB 4.15Å; Y478-A483 PolarHBondContact O-N 3.46Å; Y478-K486 HydrophobicContact CD1-CB 3.99Å; Y478-K486 HydrophobicContact CD2-CB 4.15Å; Y478-K486 HydrophobicContact CE1-CB 4.12Å; Y478-K486 HydrophobicContact CE1-CG 4.3Å; Y478-K486 HydrophobicContact CE2-CB 4.3Å; Y478-K486 HydrophobicContact CG-CB 4.01Å |
| 479 | L | 81 | Confident | 80.2 | Confident | 84 Ų | 84 | 39.4 Ų | 39.4 | 44% | 0.44 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.2 | -37.2 | 179.8 | -167.6 | 142.3 | 0 | 0 | 0 | 111.7 | L475 V477 V487 F491 Y503 | L475-L479 WeakPolarHBondContact O-CB 3.28Å; L475-L479 PolarHBondContact O-N 2.88Å; V477-L479 VanDerWaalsContact C-N 3.32Å; V477-L479 PolarHBondContact O-N 3.36Å; L479-V487 HydrophobicContact CB-CG2 4.38Å; L479-F491 HydrophobicContact CD1-CZ 4.03Å; L479-Y503 HydrophobicContact CD1-CE2 4.48Å; L479-Y503 HydrophobicContact CG-CE2 4.24Å |
| 480 | R | 80 | Confident | 80.2 | Confident | 112 Ų | 112 | 35 Ų | 35 | 42% | 0.423 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -78.6 | -26.8 | 175.3 | -67.3 | 173 | -176.4 | -162 | 2.9 | 113.2 | L451 N454 C458 S476 V477 Y478 | L451-R480 PolarHBondContact O-NH1 2.87Å; L451-R480 PolarHBondContact O-NH2 3.25Å; N454-R480 PolarHBondContact OD1-NH1 3.24Å; C458-R480 HydrophobicContact CB-CB 3.63Å; S476-R480 WeakPolarHBondContact O-CD 3.4Å; S476-R480 WeakPolarHBondContact O-CG 3.5Å; S476-R480 PolarHBondContact O-N 3.43Å; V477-R480 PolarHBondContact O-N 2.95Å; Y478-R480 VanDerWaalsContact C-N 3.3Å; Y478-R480 PolarHBondContact O-N 2.72Å |
| 481 | A | 78.6 | Confident | 80.2 | Confident | 38 Ų | 38 | 33.5 Ų | 33.5 | 31% | 0.314 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -80.4 | -13.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | C458 V477 Y478 A483 | C458-A481 HydrophobicContact CB-CB 4.37Å; C458-A481 WeakPolarHBondContact O-CB 3.08Å; V477-A481 WeakPolarHBondContact O-CB 3.49Å; V477-A481 PolarHBondContact O-N 2.98Å; Y478-A481 PolarHBondContact O-N 3.15Å; A481-A483 VanDerWaalsContact C-N 3.34Å |
| 482 | G | 76.7 | Confident | 79.8 | Confident | 50 Ų | 50 | 31.1 Ų | 31.1 | 52% | 0.515 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74 | 19.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y478 A484 | Y478-G482 PolarHBondContact O-N 3.42Å; G482-A484 VanDerWaalsContact C-N 3.33Å; G482-A484 PolarHBondContact O-N 3.35Å |
| 483 | A | 80 | Confident | 79.5 | Confident | 17 Ų | 17 | 33.5 Ų | 33.5 | 14% | 0.14 | 20% | 0.197 | C | C | . | . | trans | -80.2 | 73.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E460 Y478 A481 A485 K486 V487 | E460-A483 HydrophobicContact CG-CB 4.45Å; Y478-A483 HydrophobicContact CD1-CB 4.15Å; Y478-A483 PolarHBondContact O-N 3.46Å; A481-A483 VanDerWaalsContact C-N 3.34Å; A483-A485 PolarHBondContact O-N 2.88Å; A483-K486 HydrophobicContact CB-CB 4.33Å; A483-K486 PolarHBondContact O-N 2.79Å; A483-K486 VanDerWaalsContact O-N 3.1Å; A483-V487 WeakPolarHBondContact O-CG2 3.47Å; A483-V487 PolarHBondContact O-N 3.24Å | ||
| 484 | A | 77.6 | Confident | 79.3 | Confident | 13 Ų | 13 | 35.4 Ų | 35.4 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.1 | -43.1 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G482 K486 V487 I488 Y503 Y509 | G482-A484 VanDerWaalsContact C-N 3.33Å; G482-A484 PolarHBondContact O-N 3.35Å; A484-K486 PolarHBondContact O-N 3.36Å; A484-V487 PolarHBondContact O-N 3.32Å; A484-I488 VanDerWaalsContact O-CG1 3.3Å; A484-I488 WeakPolarHBondContact O-CG1 3.21Å; A484-I488 PolarHBondContact O-N 3.37Å; A484-Y503 HydrophobicContact CB-CE1 3.97Å; A484-Y509 HydrophobicContact CB-CD1 4.37Å; A484-Y509 HydrophobicContact CB-CG 4.26Å |
| 485 | A | 76.3 | Confident | 78.7 | Confident | 62 Ų | 62 | 36.5 Ų | 36.5 | 51% | 0.512 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.8 | -42 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A483 Q489 | A483-A485 PolarHBondContact O-N 2.88Å; A485-Q489 WeakPolarHBondContact O-CB 3.47Å; A485-Q489 PolarHBondContact O-N 3.24Å |
| 486 | K | 78.8 | Confident | 78.5 | Confident | 56 Ų | 56 | 38.9 Ų | 38.9 | 24% | 0.243 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72 | -36.2 | 178.3 | -65 | -77 | -172.5 | 143.6 | 0 | 111.8 | D464 Y478 A483 A484 Q489 C490 | D464-K486 IonicContact OD1-NZ 3.87Å; D464-K486 PolarHBondContact OD1-NZ 3.41Å; Y478-K486 HydrophobicContact CD1-CB 3.99Å; Y478-K486 HydrophobicContact CD2-CB 4.15Å; Y478-K486 HydrophobicContact CE1-CB 4.12Å; Y478-K486 HydrophobicContact CE1-CG 4.3Å; Y478-K486 HydrophobicContact CE2-CB 4.3Å; Y478-K486 HydrophobicContact CG-CB 4.01Å; A483-K486 HydrophobicContact CB-CB 4.33Å; A483-K486 PolarHBondContact O-N 2.79Å; A483-K486 VanDerWaalsContact O-N 3.1Å; A484-K486 PolarHBondContact O-N 3.36Å; K486-Q489 PolarHBondContact O-N 2.92Å; K486-C490 WeakPolarHBondContact O-CB 3.48Å; K486-C490 PolarHBondContact O-N 2.9Å; K486-C490 PolarHBondContact O-SG 2.95Å; K486-C490 VanDerWaalsContact O-SG 3.41Å |
| 487 | V | 80.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.3 | -47.7 | 174 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | L475 L479 A483 A484 Q489 C490 F491 Y503 | L475-V487 HydrophobicContact CD1-CG1 4.25Å; L479-V487 HydrophobicContact CB-CG2 4.38Å; A483-V487 WeakPolarHBondContact O-CG2 3.47Å; A483-V487 PolarHBondContact O-N 3.24Å; A484-V487 PolarHBondContact O-N 3.32Å; V487-Q489 PolarHBondContact O-N 3.25Å; V487-C490 PolarHBondContact O-N 2.87Å; V487-F491 HydrophobicContact CG1-CD2 3.61Å; V487-F491 HydrophobicContact CG1-CE2 3.25Å; V487-F491 HydrophobicContact CG1-CZ 4.02Å; V487-F491 WeakPolarHBondContact O-CD2 3.33Å; V487-F491 PolarHBondContact O-N 3.25Å; V487-Y503 HydrophobicContact CB-CE1 3.89Å; V487-Y503 HydrophobicContact CG1-CD1 3.99Å; V487-Y503 HydrophobicContact CG1-CD2 4.36Å; V487-Y503 HydrophobicContact CG1-CE1 3.7Å; V487-Y503 HydrophobicContact CG1-CE2 4.09Å; V487-Y503 HydrophobicContact CG1-CG 4.3Å; V487-Y503 HydrophobicContact CG2-CE1 4.42Å |
| 488 | I | 79.8 | Confident | 77.7 | Confident | 10 Ų | 10 | 42.4 Ų | 42.4 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 178.4 | -67.1 | 170 | 0 | 0 | 0 | 110.7 | A484 C490 F491 A492 I500 Y503 Y509 P511 I516 | A484-I488 VanDerWaalsContact O-CG1 3.3Å; A484-I488 WeakPolarHBondContact O-CG1 3.21Å; A484-I488 PolarHBondContact O-N 3.37Å; I488-C490 VanDerWaalsContact C-N 3.33Å; I488-C490 PolarHBondContact O-N 3.31Å; I488-F491 PolarHBondContact O-N 2.84Å; I488-A492 WeakPolarHBondContact O-CB 3.46Å; I488-A492 PolarHBondContact O-N 3.32Å; I488-I500 HydrophobicContact CG1-CG2 4.35Å; I488-I500 HydrophobicContact CG2-CG2 3.94Å; I488-Y503 HydrophobicContact CG1-CD1 4.44Å; I488-Y509 HydrophobicContact CD1-CD1 3.75Å; I488-Y509 HydrophobicContact CD1-CE1 3.87Å; I488-P511 HydrophobicContact CD1-CB 3.94Å; I488-P511 HydrophobicContact CD1-CG 4.14Å; I488-I516 HydrophobicContact CG2-CD1 3.71Å |
| 489 | Q | 78.2 | Confident | 77.3 | Confident | 72 Ų | 72 | 46.8 Ų | 46.8 | 34% | 0.336 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 174.9 | -173.9 | -177.8 | -4.6 | 0 | 0 | 111.7 | A485 K486 V487 A492 E493 | A485-Q489 WeakPolarHBondContact O-CB 3.47Å; A485-Q489 PolarHBondContact O-N 3.24Å; K486-Q489 PolarHBondContact O-N 2.92Å; V487-Q489 PolarHBondContact O-N 3.25Å; Q489-A492 PolarHBondContact O-N 3.05Å; Q489-E493 WeakPolarHBondContact CG-OE1 3.3Å; Q489-E493 PolarHBondContact NE2-OE1 3.31Å; Q489-E493 WeakPolarHBondContact O-CB 3.29Å; Q489-E493 WeakPolarHBondContact O-CG 3.27Å; Q489-E493 PolarHBondContact O-N 2.93Å |
| 490 | C | 79.3 | Confident | 77.1 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.2 | -40.5 | 177.2 | -77 | 0 | 0 | 0 | 0 | 112.2 | L475 K486 V487 I488 A492 E493 T494 | L475-C490 HydrophobicContact CB-CB 4.24Å; L475-C490 HydrophobicContact CD1-CB 3.55Å; L475-C490 HydrophobicContact CG-CB 4.45Å; K486-C490 WeakPolarHBondContact O-CB 3.48Å; K486-C490 PolarHBondContact O-N 2.9Å; K486-C490 PolarHBondContact O-SG 2.95Å; K486-C490 VanDerWaalsContact O-SG 3.41Å; V487-C490 PolarHBondContact O-N 2.87Å; I488-C490 VanDerWaalsContact C-N 3.33Å; I488-C490 PolarHBondContact O-N 3.31Å; C490-A492 VanDerWaalsContact C-N 3.31Å; C490-A492 PolarHBondContact O-N 3.34Å; C490-E493 PolarHBondContact O-N 2.97Å; C490-T494 WeakPolarHBondContact O-CG2 3.2Å; C490-T494 PolarHBondContact O-N 3.2Å; C490-T494 PolarHBondContact O-OG1 3.16Å; C490-T494 VanDerWaalsContact O-OG1 3.05Å |
| 491 | F | 80 | Confident | 76.8 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.4 | -38.1 | 173.9 | -76 | -44.4 | 0 | 0 | 0 | 112.4 | L475 L479 V487 I488 T494 G495 E496 K499 I500 Y503 | L475-F491 HydrophobicContact CD1-CD1 3.94Å; L475-F491 HydrophobicContact CD1-CE1 3.88Å; L475-F491 HydrophobicContact CD1-CG 4.32Å; L475-F491 HydrophobicContact CD1-CZ 4.22Å; L475-F491 HydrophobicContact CD2-CD1 4.05Å; L475-F491 HydrophobicContact CD2-CE1 3.83Å; L475-F491 HydrophobicContact CG-CE1 4.34Å; L479-F491 HydrophobicContact CD1-CZ 4.03Å; V487-F491 HydrophobicContact CG1-CD2 3.61Å; V487-F491 HydrophobicContact CG1-CE2 3.25Å; V487-F491 HydrophobicContact CG1-CZ 4.02Å; V487-F491 WeakPolarHBondContact O-CD2 3.33Å; V487-F491 PolarHBondContact O-N 3.25Å; I488-F491 PolarHBondContact O-N 2.84Å; F491-T494 WeakPolarHBondContact CA-OG1 3.45Å; F491-T494 PolarHBondContact O-N 3.24Å; F491-T494 PolarHBondContact O-OG1 3.32Å; F491-G495 PolarHBondContact O-N 2.89Å; F491-E496 HydrophobicContact CD1-CB 4Å; F491-E496 WeakPolarHBondContact CE1-OE2 3.21Å; F491-E496 PolarHBondContact O-N 3.19Å; F491-K499 HydrophobicContact CD1-CB 4.1Å; F491-K499 HydrophobicContact CD1-CD 4.32Å; F491-K499 HydrophobicContact CD2-CB 4.35Å; F491-K499 HydrophobicContact CE1-CB 3.82Å; F491-K499 HydrophobicContact CE1-CD 3.67Å; F491-K499 HydrophobicContact CE1-CG 4.41Å; F491-K499 HydrophobicContact CE2-CB 4.07Å; F491-K499 HydrophobicContact CG-CB 4.37Å; F491-K499 HydrophobicContact CZ-CB 3.81Å; F491-K499 HydrophobicContact CZ-CD 4.15Å; F491-I500 HydrophobicContact CB-CD1 4.04Å; F491-I500 HydrophobicContact CB-CG1 3.52Å; F491-I500 HydrophobicContact CD2-CG1 4.26Å; F491-I500 HydrophobicContact CG-CG1 4.26Å; F491-Y503 HydrophobicContact CE2-CG 4.3Å |
| 492 | A | 72.7 | Confident | 76.7 | Confident | 21 Ų | 21 | 41 Ų | 41 | 17% | 0.174 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.2 | -42.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I488 Q489 C490 G495 I500 | I488-A492 WeakPolarHBondContact O-CB 3.46Å; I488-A492 PolarHBondContact O-N 3.32Å; Q489-A492 PolarHBondContact O-N 3.05Å; C490-A492 VanDerWaalsContact C-N 3.31Å; C490-A492 PolarHBondContact O-N 3.34Å; A492-G495 PolarHBondContact O-N 2.84Å; A492-I500 HydrophobicContact CB-CD1 4.38Å |
| 493 | E | 73.8 | Confident | 76.6 | Confident | 89 Ų | 89 | 39.6 Ų | 39.6 | 42% | 0.416 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.1 | -35.9 | 176.2 | -73.4 | 170.1 | -170.8 | 0 | 0 | 112.4 | K467 Q489 C490 | K467-E493 WeakPolarHBondContact CE-OE2 3.37Å; K467-E493 IonicContact NZ-OE1 2.74Å; K467-E493 PolarHBondContact NZ-OE1 3.47Å; K467-E493 IonicContact NZ-OE2 3.09Å; K467-E493 PolarHBondContact NZ-OE2 2.91Å; Q489-E493 WeakPolarHBondContact CG-OE1 3.3Å; Q489-E493 PolarHBondContact NE2-OE1 3.31Å; Q489-E493 WeakPolarHBondContact O-CB 3.29Å; Q489-E493 WeakPolarHBondContact O-CG 3.27Å; Q489-E493 PolarHBondContact O-N 2.93Å; C490-E493 PolarHBondContact O-N 2.97Å |
| 494 | T | 75.6 | Confident | 76.4 | Confident | 57 Ų | 57 | 39 Ų | 39 | 35% | 0.35 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -83.3 | -14.5 | 177.8 | 59 | 0 | 0 | 0 | 0 | 113.7 | C490 F491 | C490-T494 WeakPolarHBondContact O-CG2 3.2Å; C490-T494 PolarHBondContact O-N 3.2Å; C490-T494 PolarHBondContact O-OG1 3.16Å; C490-T494 VanDerWaalsContact O-OG1 3.05Å; F491-T494 WeakPolarHBondContact CA-OG1 3.45Å; F491-T494 PolarHBondContact O-N 3.24Å; F491-T494 PolarHBondContact O-OG1 3.32Å |
| 495 | G | 70 | Confident | 76.2 | Confident | 23 Ų | 23 | 44.1 Ų | 44.1 | 24% | 0.237 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 19.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | F491 A492 F497 | F491-G495 PolarHBondContact O-N 2.89Å; A492-G495 PolarHBondContact O-N 2.84Å; G495-F497 PolarHBondContact O-N 2.91Å |
| 496 | E | 77.9 | Confident | 76.1 | Confident | 71 Ų | 71 | 50 Ų | 50 | 33% | 0.332 | 25% | 0.248 | S | C | . | . | trans | -92.3 | 65 | 179.1 | -61.7 | -169.8 | 143.8 | 0 | 0 | 111.5 | F491 D498 K499 | F491-E496 HydrophobicContact CD1-CB 4Å; F491-E496 WeakPolarHBondContact CE1-OE2 3.21Å; F491-E496 PolarHBondContact O-N 3.19Å; E496-D498 PolarHBondContact O-N 3.39Å; E496-K499 HydrophobicContact CB-CD 4.14Å; E496-K499 HydrophobicContact CB-CG 4.44Å; E496-K499 PolarHBondContact O-N 3.28Å; E496-K499 IonicContact OE1-NZ 3.49Å; E496-K499 PolarHBondContact OE1-NZ 3.11Å; E496-K499 VanDerWaalsContact OE2-CD 3.32Å; E496-K499 WeakPolarHBondContact OE2-CD 3.29Å; E496-K499 WeakPolarHBondContact OE2-CE 3.49Å; E496-K499 IonicContact OE2-NZ 2.71Å; E496-K499 PolarHBondContact OE2-NZ 3.13Å | ||
| 497 | F | 76.3 | Confident | 75.9 | Confident | 15 Ų | 15 | 51.6 Ų | 51.6 | 7% | 0.066 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.7 | -38 | -168.6 | -54.6 | -58.1 | 0 | 0 | 0 | 115 | G495 K499 I500 I520 K527 F531 L534 | G495-F497 PolarHBondContact O-N 2.91Å; F497-K499 PolarHBondContact O-N 3.49Å; F497-K499 VanDerWaalsContact O-N 3.15Å; F497-I500 HydrophobicContact CD1-CD1 4.18Å; F497-I500 VanDerWaalsContact O-CB 3.3Å; F497-I500 WeakPolarHBondContact O-CB 3.44Å; F497-I500 PolarHBondContact O-N 3.29Å; F497-I520 HydrophobicContact CD1-CD1 3.92Å; F497-I520 HydrophobicContact CE1-CD1 3.56Å; F497-I520 HydrophobicContact CE1-CG1 4.04Å; F497-I520 HydrophobicContact CE1-CG2 4.36Å; F497-I520 HydrophobicContact CZ-CD1 4.41Å; F497-I520 HydrophobicContact CZ-CG2 4.2Å; F497-K527 HydrophobicContact CE2-CB 3.66Å; F497-K527 HydrophobicContact CE2-CD 4.06Å; F497-K527 HydrophobicContact CE2-CG 3.99Å; F497-K527 HydrophobicContact CZ-CB 3.75Å; F497-K527 HydrophobicContact CZ-CD 3.98Å; F497-K527 HydrophobicContact CZ-CG 4.26Å; F497-F531 HydrophobicContact CB-CD2 3.93Å; F497-F531 HydrophobicContact CD1-CB 4.49Å; F497-F531 HydrophobicContact CD1-CD2 4.25Å; F497-F531 HydrophobicContact CG-CB 4.36Å; F497-F531 HydrophobicContact CG-CD2 4.29Å; F497-L534 HydrophobicContact CB-CD1 4Å |
| 498 | D | 73.8 | Confident | 75.4 | Confident | 93 Ų | 93 | 54.8 Ų | 54.8 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.7 | -35 | 178.4 | -59.7 | -50.6 | 0 | 0 | 0 | 112.1 | E496 I500 L502 L534 | E496-D498 PolarHBondContact O-N 3.39Å; D498-I500 VanDerWaalsContact C-N 3.29Å; D498-I500 PolarHBondContact O-N 3.05Å; D498-L502 WeakPolarHBondContact O-CG 3.35Å; D498-L502 PolarHBondContact O-N 3.47Å; D498-L534 VanDerWaalsContact OD1-CD1 3.24Å; D498-L534 WeakPolarHBondContact OD1-CD1 3.49Å; D498-L534 WeakPolarHBondContact OD1-CD2 3.39Å |
| 499 | K | 76 | Confident | 75.1 | Confident | 92 Ų | 92 | 59.2 Ų | 59.2 | 40% | 0.4 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -72.6 | -22.5 | -178.9 | -60.6 | -174.3 | -167.9 | 169.1 | 0 | 112.3 | F491 E496 F497 Y503 | F491-K499 HydrophobicContact CD1-CB 4.1Å; F491-K499 HydrophobicContact CD1-CD 4.32Å; F491-K499 HydrophobicContact CD2-CB 4.35Å; F491-K499 HydrophobicContact CE1-CB 3.82Å; F491-K499 HydrophobicContact CE1-CD 3.67Å; F491-K499 HydrophobicContact CE1-CG 4.41Å; F491-K499 HydrophobicContact CE2-CB 4.07Å; F491-K499 HydrophobicContact CG-CB 4.37Å; F491-K499 HydrophobicContact CZ-CB 3.81Å; F491-K499 HydrophobicContact CZ-CD 4.15Å; E496-K499 HydrophobicContact CB-CD 4.14Å; E496-K499 HydrophobicContact CB-CG 4.44Å; E496-K499 PolarHBondContact O-N 3.28Å; E496-K499 IonicContact OE1-NZ 3.49Å; E496-K499 PolarHBondContact OE1-NZ 3.11Å; E496-K499 VanDerWaalsContact OE2-CD 3.32Å; E496-K499 WeakPolarHBondContact OE2-CD 3.29Å; E496-K499 WeakPolarHBondContact OE2-CE 3.49Å; E496-K499 IonicContact OE2-NZ 2.71Å; E496-K499 PolarHBondContact OE2-NZ 3.13Å; F497-K499 PolarHBondContact O-N 3.49Å; F497-K499 VanDerWaalsContact O-N 3.15Å; K499-Y503 WeakPolarHBondContact O-CB 3.43Å; K499-Y503 PolarHBondContact O-N 3.36Å |
| 500 | I | 76.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64 | -49.7 | 177.6 | -61.6 | 175.9 | 0 | 0 | 0 | 110 | I488 F491 A492 F497 D498 Y503 A504 F531 | I488-I500 HydrophobicContact CG1-CG2 4.35Å; I488-I500 HydrophobicContact CG2-CG2 3.94Å; F491-I500 HydrophobicContact CB-CD1 4.04Å; F491-I500 HydrophobicContact CB-CG1 3.52Å; F491-I500 HydrophobicContact CD2-CG1 4.26Å; F491-I500 HydrophobicContact CG-CG1 4.26Å; A492-I500 HydrophobicContact CB-CD1 4.38Å; F497-I500 HydrophobicContact CD1-CD1 4.18Å; F497-I500 VanDerWaalsContact O-CB 3.3Å; F497-I500 WeakPolarHBondContact O-CB 3.44Å; F497-I500 PolarHBondContact O-N 3.29Å; D498-I500 VanDerWaalsContact C-N 3.29Å; D498-I500 PolarHBondContact O-N 3.05Å; I500-Y503 PolarHBondContact O-N 3.49Å; I500-A504 VanDerWaalsContact O-CB 3.3Å; I500-A504 WeakPolarHBondContact O-CB 3.46Å; I500-A504 PolarHBondContact O-N 3.08Å; I500-F531 HydrophobicContact CD1-CE2 4.3Å |
| 501 | I | 74.8 | Confident | 74.4 | Confident | 8 Ų | 8 | 65.7 Ų | 65.7 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.5 | -49.2 | -178.7 | -59.9 | -179.5 | 0 | 0 | 0 | 110.1 | Y503 A504 E505 L534 | I501-Y503 VanDerWaalsContact C-N 3.27Å; I501-Y503 PolarHBondContact O-N 3.06Å; I501-A504 PolarHBondContact O-N 3.23Å; I501-E505 HydrophobicContact CG2-CG 4.47Å; I501-E505 WeakPolarHBondContact O-CG 3.44Å; I501-E505 PolarHBondContact O-N 3.41Å; I501-L534 HydrophobicContact CD1-CB 3.71Å; I501-L534 WeakPolarHBondContact CD1-O 3.46Å |
| 502 | L | 75.3 | Confident | 74.3 | Confident | 104 Ų | 104 | 70.2 Ų | 70.2 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.6 | -38.4 | 178.4 | -69.2 | 172 | 0 | 0 | 0 | 112.7 | D498 K506 | D498-L502 WeakPolarHBondContact O-CG 3.35Å; D498-L502 PolarHBondContact O-N 3.47Å; L502-K506 VanDerWaalsContact O-CB 3.29Å; L502-K506 WeakPolarHBondContact O-CB 3.35Å; L502-K506 PolarHBondContact O-N 3.37Å; L502-K506 VanDerWaalsContact O-N 3.1Å |
| 503 | Y | 75.9 | Confident | 74.8 | Confident | 21 Ų | 21 | 70.7 Ų | 70.7 | 8% | 0.082 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -72 | -41.5 | 178 | -177.1 | -99.9 | 0 | 0 | 0 | 112.2 | L479 A484 V487 I488 F491 K499 I500 I501 K506 I507 | L479-Y503 HydrophobicContact CD1-CE2 4.48Å; L479-Y503 HydrophobicContact CG-CE2 4.24Å; A484-Y503 HydrophobicContact CB-CE1 3.97Å; V487-Y503 HydrophobicContact CB-CE1 3.89Å; V487-Y503 HydrophobicContact CG1-CD1 3.99Å; V487-Y503 HydrophobicContact CG1-CD2 4.36Å; V487-Y503 HydrophobicContact CG1-CE1 3.7Å; V487-Y503 HydrophobicContact CG1-CE2 4.09Å; V487-Y503 HydrophobicContact CG1-CG 4.3Å; V487-Y503 HydrophobicContact CG2-CE1 4.42Å; I488-Y503 HydrophobicContact CG1-CD1 4.44Å; F491-Y503 HydrophobicContact CE2-CG 4.3Å; K499-Y503 WeakPolarHBondContact O-CB 3.43Å; K499-Y503 PolarHBondContact O-N 3.36Å; I500-Y503 PolarHBondContact O-N 3.49Å; I501-Y503 VanDerWaalsContact C-N 3.27Å; I501-Y503 PolarHBondContact O-N 3.06Å; Y503-K506 PolarHBondContact O-N 3.22Å; Y503-I507 HydrophobicContact CD1-CD1 4.11Å; Y503-I507 HydrophobicContact CD2-CD1 3.85Å; Y503-I507 HydrophobicContact CE1-CD1 3.52Å; Y503-I507 HydrophobicContact CE2-CD1 3.23Å; Y503-I507 HydrophobicContact CE2-CG1 4.45Å; Y503-I507 HydrophobicContact CG-CD1 4.26Å; Y503-I507 PolarHBondContact O-N 2.63Å; Y503-I507 WeakPolarHBondContact OH-CD1 3.38Å |
| 504 | A | 74.8 | Confident | 75.2 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 3% | 0.025 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I500 I501 G508 Y509 P511 | I500-A504 VanDerWaalsContact O-CB 3.3Å; I500-A504 WeakPolarHBondContact O-CB 3.46Å; I500-A504 PolarHBondContact O-N 3.08Å; I501-A504 PolarHBondContact O-N 3.23Å; A504-G508 WeakPolarHBondContact O-CA 3.4Å; A504-G508 PolarHBondContact O-N 3.38Å; A504-Y509 WeakPolarHBondContact CB-O 3.36Å; A504-Y509 PolarHBondContact O-N 3.08Å; A504-P511 HydrophobicContact CB-CG 4.42Å |
| 505 | E | 74 | Confident | 75.4 | Confident | 122 Ų | 122 | 68.4 Ų | 68.4 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63 | -46.3 | 175.7 | -72.8 | 179.1 | 168.1 | 0 | 0 | 112.2 | I501 I507 G508 | I501-E505 HydrophobicContact CG2-CG 4.47Å; I501-E505 WeakPolarHBondContact O-CG 3.44Å; I501-E505 PolarHBondContact O-N 3.41Å; E505-I507 VanDerWaalsContact C-N 3.29Å; E505-I507 PolarHBondContact O-N 3.12Å; E505-G508 PolarHBondContact O-N 2.8Å |
| 506 | K | 74.2 | Confident | 75.9 | Confident | 185 Ų | 185 | 68.1 Ų | 68.1 | 80% | 0.804 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.8 | -33.5 | -177 | -174.6 | 176.4 | -179.9 | 179.3 | 0 | 113.4 | L502 Y503 | L502-K506 VanDerWaalsContact O-CB 3.29Å; L502-K506 WeakPolarHBondContact O-CB 3.35Å; L502-K506 PolarHBondContact O-N 3.37Å; L502-K506 VanDerWaalsContact O-N 3.1Å; Y503-K506 PolarHBondContact O-N 3.22Å |
| 507 | I | 74.7 | Confident | 76.1 | Confident | 90 Ų | 90 | 64.8 Ų | 64.8 | 46% | 0.462 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -97.7 | -16.2 | -178.4 | -66.9 | 170.9 | 0 | 0 | 0 | 111.9 | Y503 E505 | Y503-I507 HydrophobicContact CD1-CD1 4.11Å; Y503-I507 HydrophobicContact CD2-CD1 3.85Å; Y503-I507 HydrophobicContact CE1-CD1 3.52Å; Y503-I507 HydrophobicContact CE2-CD1 3.23Å; Y503-I507 HydrophobicContact CE2-CG1 4.45Å; Y503-I507 HydrophobicContact CG-CD1 4.26Å; Y503-I507 PolarHBondContact O-N 2.63Å; Y503-I507 WeakPolarHBondContact OH-CD1 3.38Å; E505-I507 VanDerWaalsContact C-N 3.29Å; E505-I507 PolarHBondContact O-N 3.12Å |
| 508 | G | 69.7 | Low | 76.5 | Confident | 66 Ų | 66 | 69 Ų | 69 | 68% | 0.68 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 30.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A504 E505 | A504-G508 WeakPolarHBondContact O-CA 3.4Å; A504-G508 PolarHBondContact O-N 3.38Å; E505-G508 PolarHBondContact O-N 2.8Å |
| 509 | Y | 73.8 | Confident | 76.8 | Confident | 103 Ų | 103 | 69.3 Ų | 69.3 | 40% | 0.404 | 34% | 0.342 | S | S | . | . | trans | -95.5 | 131.2 | 177.3 | -175.1 | -102.7 | 0 | 0 | 0 | 110.2 | A484 I488 A504 P511 | A484-Y509 HydrophobicContact CB-CD1 4.37Å; A484-Y509 HydrophobicContact CB-CG 4.26Å; I488-Y509 HydrophobicContact CD1-CD1 3.75Å; I488-Y509 HydrophobicContact CD1-CE1 3.87Å; A504-Y509 WeakPolarHBondContact CB-O 3.36Å; A504-Y509 PolarHBondContact O-N 3.08Å; Y509-P511 HydrophobicContact CD1-CB 4.3Å; Y509-P511 HydrophobicContact CE1-CB 4.03Å; Y509-P511 WeakPolarHBondContact O-CD 3.33Å | ||
| 510 | K | 71.7 | Confident | 77 | Confident | 195 Ų | 195 | 65.4 Ų | 65.4 | 85% | 0.848 | 33% | 0.325 | S | S | * | . | trans | -102.9 | 95.1 | 177.4 | -69.6 | -170.7 | 177 | -171.4 | 0 | 110.7 | ||||
| 511 | P | 70.5 | Confident | 77.3 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | trans | -74 | 158.5 | 175.2 | 30.5 | -34 | 0 | 0 | 0 | 112.1 | I488 A504 Y509 Y513 I516 | I488-P511 HydrophobicContact CD1-CB 3.94Å; I488-P511 HydrophobicContact CD1-CG 4.14Å; A504-P511 HydrophobicContact CB-CG 4.42Å; Y509-P511 HydrophobicContact CD1-CB 4.3Å; Y509-P511 HydrophobicContact CE1-CB 4.03Å; Y509-P511 WeakPolarHBondContact O-CD 3.33Å; P511-Y513 HydrophobicContact CG-CD1 4.08Å; P511-Y513 HydrophobicContact CG-CE1 3.54Å; P511-Y513 HydrophobicContact CG-CE2 4.22Å; P511-Y513 WeakPolarHBondContact O-CD2 3.46Å; P511-Y513 PolarHBondContact O-N 2.82Å; P511-Y513 VanDerWaalsContact O-N 3.16Å; P511-I516 HydrophobicContact CB-CD1 3.94Å | ||
| 512 | D | 78.8 | Confident | 77.5 | Confident | 101 Ų | 101 | 75.1 Ų | 75.1 | 54% | 0.54 | 36% | 0.362 | S | S | . | . | trans | -78.9 | 91.2 | 169.5 | 180 | -10.4 | 0 | 0 | 0 | 109.7 | I514 S515 I516 | D512-I514 VanDerWaalsContact C-N 3.25Å; D512-I514 PolarHBondContact O-N 3.34Å; D512-I514 PolarHBondContact OD1-N 3.44Å; D512-S515 WeakPolarHBondContact CB-OG 3.22Å; D512-S515 PolarHBondContact O-N 3.31Å; D512-S515 PolarHBondContact O-OG 3.47Å; D512-S515 PolarHBondContact OD1-N 2.95Å; D512-S515 VanDerWaalsContact OD1-N 3.15Å; D512-I516 WeakPolarHBondContact O-CG1 3.27Å; D512-I516 PolarHBondContact O-N 3.02Å | ||
| 513 | Y | 82 | Confident | 77.6 | Confident | 32 Ų | 32 | 75.8 Ų | 75.8 | 13% | 0.125 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61 | -29.8 | -176.3 | -62.4 | -73.2 | 0 | 0 | 0 | 113.8 | P511 I516 L517 F531 L535 L543 | P511-Y513 HydrophobicContact CG-CD1 4.08Å; P511-Y513 HydrophobicContact CG-CE1 3.54Å; P511-Y513 HydrophobicContact CG-CE2 4.22Å; P511-Y513 WeakPolarHBondContact O-CD2 3.46Å; P511-Y513 PolarHBondContact O-N 2.82Å; P511-Y513 VanDerWaalsContact O-N 3.16Å; Y513-I516 PolarHBondContact O-N 2.91Å; Y513-L517 WeakPolarHBondContact O-CB 3.22Å; Y513-L517 PolarHBondContact O-N 3.25Å; Y513-F531 HydrophobicContact CD1-CZ 4.14Å; Y513-L535 HydrophobicContact CD1-CD2 3.54Å; Y513-L535 HydrophobicContact CD2-CD2 4.46Å; Y513-L535 HydrophobicContact CE1-CD2 4.12Å; Y513-L535 HydrophobicContact CG-CD2 3.73Å; Y513-L543 HydrophobicContact CD2-CB 4.34Å; Y513-L543 HydrophobicContact CE2-CB 4.27Å |
| 514 | I | 82.5 | Confident | 77.7 | Confident | 40 Ų | 40 | 76.4 Ų | 76.4 | 21% | 0.205 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -73.2 | -42.8 | -178 | -60.8 | 170.4 | 0 | 0 | 0 | 110.1 | D512 I516 L517 R518 A544 Q548 | D512-I514 VanDerWaalsContact C-N 3.25Å; D512-I514 PolarHBondContact O-N 3.34Å; D512-I514 PolarHBondContact OD1-N 3.44Å; I514-I516 VanDerWaalsContact C-N 3.26Å; I514-I516 PolarHBondContact O-N 3.44Å; I514-L517 PolarHBondContact O-N 3.5Å; I514-R518 PolarHBondContact O-N 2.92Å; I514-A544 HydrophobicContact CG1-CB 4.34Å; I514-Q548 HydrophobicContact CD1-CB 4.33Å |
| 515 | S | 79.9 | Confident | 77.8 | Confident | 58 Ų | 58 | 77 Ų | 77 | 41% | 0.406 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.8 | -39.7 | 174.7 | 73.6 | 0 | 0 | 0 | 0 | 111.9 | D512 Q519 | D512-S515 WeakPolarHBondContact CB-OG 3.22Å; D512-S515 PolarHBondContact O-N 3.31Å; D512-S515 PolarHBondContact O-OG 3.47Å; D512-S515 PolarHBondContact OD1-N 2.95Å; D512-S515 VanDerWaalsContact OD1-N 3.15Å; S515-Q519 PolarHBondContact O-N 3.24Å; S515-Q519 VanDerWaalsContact O-N 3.17Å |
| 516 | I | 80.2 | Confident | 78 | Confident | 17 Ų | 17 | 78.7 Ų | 78.7 | 9% | 0.087 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.8 | -46 | 176.7 | -64.1 | 167.4 | 0 | 0 | 0 | 110.2 | I488 P511 D512 Y513 I514 R518 Q519 I520 F531 | I488-I516 HydrophobicContact CG2-CD1 3.71Å; P511-I516 HydrophobicContact CB-CD1 3.94Å; D512-I516 WeakPolarHBondContact O-CG1 3.27Å; D512-I516 PolarHBondContact O-N 3.02Å; Y513-I516 PolarHBondContact O-N 2.91Å; I514-I516 VanDerWaalsContact C-N 3.26Å; I514-I516 PolarHBondContact O-N 3.44Å; I516-R518 PolarHBondContact O-N 3.35Å; I516-Q519 WeakPolarHBondContact O-CB 3.48Å; I516-Q519 PolarHBondContact O-N 3.15Å; I516-Q519 VanDerWaalsContact O-N 3.13Å; I516-I520 HydrophobicContact CG2-CD1 3.72Å; I516-I520 HydrophobicContact CG2-CG1 4.36Å; I516-I520 WeakPolarHBondContact O-CG1 3.29Å; I516-I520 PolarHBondContact O-N 3.49Å; I516-F531 HydrophobicContact CB-CE1 4.19Å; I516-F531 HydrophobicContact CB-CZ 4.46Å; I516-F531 HydrophobicContact CG2-CE1 3.7Å; I516-F531 HydrophobicContact CG2-CZ 3.83Å |
| 517 | L | 82.7 | Confident | 78.3 | Confident | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 177.8 | -179.3 | 65.5 | 0 | 0 | 0 | 111.4 | Y513 I514 Q519 I520 L521 G528 F531 A532 I549 C552 | Y513-L517 WeakPolarHBondContact O-CB 3.22Å; Y513-L517 PolarHBondContact O-N 3.25Å; I514-L517 PolarHBondContact O-N 3.5Å; L517-Q519 VanDerWaalsContact C-N 3.28Å; L517-Q519 PolarHBondContact O-N 3.41Å; L517-I520 PolarHBondContact O-N 3.12Å; L517-L521 HydrophobicContact CD1-CD1 4.13Å; L517-L521 HydrophobicContact CD1-CG 4.09Å; L517-L521 HydrophobicContact CD2-CD1 4.39Å; L517-L521 HydrophobicContact CG-CD1 3.83Å; L517-L521 HydrophobicContact CG-CG 4.23Å; L517-L521 WeakPolarHBondContact O-CB 3.34Å; L517-L521 VanDerWaalsContact O-CG 3.3Å; L517-L521 WeakPolarHBondContact O-CG 3.5Å; L517-L521 PolarHBondContact O-N 3.24Å; L517-G528 WeakPolarHBondContact CD1-O 3.3Å; L517-F531 HydrophobicContact CB-CD1 4.28Å; L517-F531 HydrophobicContact CB-CE1 4.38Å; L517-F531 HydrophobicContact CD1-CD1 4.01Å; L517-A532 HydrophobicContact CD1-CB 4.34Å; L517-I549 HydrophobicContact CD2-CB 4.44Å; L517-I549 HydrophobicContact CD2-CG1 4.31Å; L517-I549 HydrophobicContact CD2-CG2 4Å; L517-C552 HydrophobicContact CD2-CB 4.26Å |
| 518 | R | 84 | Confident | 78.7 | Confident | 103 Ų | 103 | 70.2 Ų | 70.2 | 39% | 0.389 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.9 | -39.6 | 174.9 | -83.8 | -178.2 | 173.4 | 150.5 | 1.4 | 112.5 | I514 I516 R522 E555 | I514-R518 PolarHBondContact O-N 2.92Å; I516-R518 PolarHBondContact O-N 3.35Å; R518-R522 WeakPolarHBondContact O-CG 3.15Å; R518-R522 PolarHBondContact O-N 3.36Å; R518-E555 IonicContact CZ-OE1 3.61Å; R518-E555 IonicContact CZ-OE2 3.58Å; R518-E555 IonicContact NE-OE2 3.73Å; R518-E555 PolarHBondContact NE-OE2 2.84Å; R518-E555 VanDerWaalsContact NE-OE2 3.09Å; R518-E555 IonicContact NH2-OE1 3.42Å; R518-E555 PolarHBondContact NH2-OE1 3.29Å; R518-E555 IonicContact NH2-OE2 2.88Å; R518-E555 PolarHBondContact NH2-OE2 3.27Å |
| 519 | Q | 81 | Confident | 79.3 | Confident | 100 Ų | 100 | 67.5 Ų | 67.5 | 47% | 0.467 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.4 | -41.3 | 177.6 | -172.2 | 176.6 | -0.8 | 0 | 0 | 111.9 | S515 I516 L517 T523 | S515-Q519 PolarHBondContact O-N 3.24Å; S515-Q519 VanDerWaalsContact O-N 3.17Å; I516-Q519 WeakPolarHBondContact O-CB 3.48Å; I516-Q519 PolarHBondContact O-N 3.15Å; I516-Q519 VanDerWaalsContact O-N 3.13Å; L517-Q519 VanDerWaalsContact C-N 3.28Å; L517-Q519 PolarHBondContact O-N 3.41Å; Q519-T523 PolarHBondContact O-N 2.84Å; Q519-T523 PolarHBondContact O-OG1 3.42Å |
| 520 | I | 80.5 | Confident | 79.7 | Confident | 9 Ų | 9 | 66.9 Ų | 66.9 | 5% | 0.046 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.8 | -46.8 | 176.6 | -64.8 | 166 | 0 | 0 | 0 | 110 | F497 I516 L517 R522 T523 S524 K527 F531 | F497-I520 HydrophobicContact CD1-CD1 3.92Å; F497-I520 HydrophobicContact CE1-CD1 3.56Å; F497-I520 HydrophobicContact CE1-CG1 4.04Å; F497-I520 HydrophobicContact CE1-CG2 4.36Å; F497-I520 HydrophobicContact CZ-CD1 4.41Å; F497-I520 HydrophobicContact CZ-CG2 4.2Å; I516-I520 HydrophobicContact CG2-CD1 3.72Å; I516-I520 HydrophobicContact CG2-CG1 4.36Å; I516-I520 WeakPolarHBondContact O-CG1 3.29Å; I516-I520 PolarHBondContact O-N 3.49Å; L517-I520 PolarHBondContact O-N 3.12Å; I520-R522 VanDerWaalsContact C-N 3.29Å; I520-R522 PolarHBondContact O-N 3.16Å; I520-T523 CarbonylContact O-C 2.88Å; I520-T523 WeakPolarHBondContact O-CA 3.49Å; I520-T523 WeakPolarHBondContact O-CB 3.35Å; I520-T523 PolarHBondContact O-N 2.95Å; I520-S524 PolarHBondContact O-N 3.11Å; I520-K527 HydrophobicContact CG2-CB 4.12Å; I520-F531 HydrophobicContact CD1-CB 4.14Å; I520-F531 HydrophobicContact CD1-CD1 3.57Å; I520-F531 HydrophobicContact CD1-CD2 4.47Å; I520-F531 HydrophobicContact CD1-CE1 4.03Å; I520-F531 HydrophobicContact CD1-CG 3.81Å |
| 521 | L | 81.5 | Confident | 80.2 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -34.1 | -179 | -72.3 | 172.2 | 0 | 0 | 0 | 113.1 | L517 T523 C552 F553 V556 L558 | L517-L521 HydrophobicContact CD1-CD1 4.13Å; L517-L521 HydrophobicContact CD1-CG 4.09Å; L517-L521 HydrophobicContact CD2-CD1 4.39Å; L517-L521 HydrophobicContact CG-CD1 3.83Å; L517-L521 HydrophobicContact CG-CG 4.23Å; L517-L521 WeakPolarHBondContact O-CB 3.34Å; L517-L521 VanDerWaalsContact O-CG 3.3Å; L517-L521 WeakPolarHBondContact O-CG 3.5Å; L517-L521 PolarHBondContact O-N 3.24Å; L521-T523 PolarHBondContact O-N 3.46Å; L521-C552 HydrophobicContact CD1-CB 3.83Å; L521-F553 HydrophobicContact CD1-CD1 4.4Å; L521-F553 HydrophobicContact CD1-CG 4.49Å; L521-F553 HydrophobicContact CD2-CD1 3.65Å; L521-F553 HydrophobicContact CD2-CE1 3.35Å; L521-F553 HydrophobicContact CD2-CG 4.48Å; L521-F553 HydrophobicContact CD2-CZ 3.98Å; L521-V556 HydrophobicContact CB-CG2 4.48Å; L521-L558 HydrophobicContact CD2-CD1 4.1Å |
| 522 | R | 80.5 | Confident | 80.8 | Confident | 207 Ų | 207 | 56.9 Ų | 56.9 | 78% | 0.781 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -67.3 | -24.1 | 172.4 | -74.5 | 178.7 | -175.3 | -163.5 | 1.7 | 113.5 | R518 I520 | R518-R522 WeakPolarHBondContact O-CG 3.15Å; R518-R522 PolarHBondContact O-N 3.36Å; I520-R522 VanDerWaalsContact C-N 3.29Å; I520-R522 PolarHBondContact O-N 3.16Å |
| 523 | T | 77 | Confident | 81 | Confident | 118 Ų | 118 | 55.6 Ų | 55.6 | 72% | 0.724 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -96 | -40.9 | -176.6 | -48.8 | 0 | 0 | 0 | 0 | 111.4 | Q519 I520 L521 | Q519-T523 PolarHBondContact O-N 2.84Å; Q519-T523 PolarHBondContact O-OG1 3.42Å; I520-T523 CarbonylContact O-C 2.88Å; I520-T523 WeakPolarHBondContact O-CA 3.49Å; I520-T523 WeakPolarHBondContact O-CB 3.35Å; I520-T523 PolarHBondContact O-N 2.95Å; L521-T523 PolarHBondContact O-N 3.46Å |
| 524 | S | 78.5 | Confident | 80.9 | Confident | 34 Ų | 34 | 55.2 Ų | 55.2 | 24% | 0.238 | 27% | 0.27 | C | S | . | . | trans | -160.9 | 118.3 | -178.5 | 167 | 0 | 0 | 0 | 0 | 110.9 | I520 K527 G528 | I520-S524 PolarHBondContact O-N 3.11Å; S524-K527 WeakPolarHBondContact OG-CG 3.41Å; S524-K527 PolarHBondContact OG-N 3.49Å; S524-G528 PolarHBondContact O-N 3.43Å | ||
| 525 | G | 76 | Confident | 80.7 | Confident | 15 Ų | 15 | 53.5 Ų | 53.5 | 16% | 0.155 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G528 V529 | G525-G528 WeakPolarHBondContact O-CA 3.43Å; G525-G528 PolarHBondContact O-N 3.17Å; G525-G528 VanDerWaalsContact O-N 3.11Å; G525-V529 PolarHBondContact O-N 3.41Å |
| 526 | E | 79 | Confident | 80.4 | Confident | 158 Ų | 158 | 52.4 Ų | 52.4 | 74% | 0.738 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.4 | -51.9 | -177.7 | -68.7 | -176.8 | 163.8 | 0 | 0 | 112.4 | G528 V529 D530 | E526-G528 PolarHBondContact O-N 3.22Å; E526-G528 VanDerWaalsContact O-N 3.16Å; E526-V529 WeakPolarHBondContact O-CA 3.41Å; E526-V529 VanDerWaalsContact O-CB 3.27Å; E526-V529 WeakPolarHBondContact O-CB 3.3Å; E526-V529 PolarHBondContact O-N 2.92Å; E526-D530 PolarHBondContact O-N 2.68Å |
| 527 | K | 79.3 | Confident | 79.9 | Confident | 97 Ų | 97 | 57.3 Ų | 57.3 | 42% | 0.422 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56.1 | -30.6 | 173.6 | -69.8 | -171.5 | -178.5 | -172.3 | 0 | 113.6 | F497 I520 S524 V529 F531 | F497-K527 HydrophobicContact CE2-CB 3.66Å; F497-K527 HydrophobicContact CE2-CD 4.06Å; F497-K527 HydrophobicContact CE2-CG 3.99Å; F497-K527 HydrophobicContact CZ-CB 3.75Å; F497-K527 HydrophobicContact CZ-CD 3.98Å; F497-K527 HydrophobicContact CZ-CG 4.26Å; I520-K527 HydrophobicContact CG2-CB 4.12Å; S524-K527 WeakPolarHBondContact OG-CG 3.41Å; S524-K527 PolarHBondContact OG-N 3.49Å; K527-V529 VanDerWaalsContact C-N 3.33Å; K527-F531 PolarHBondContact O-N 3.16Å |
| 528 | G | 82.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.1 | -34.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L517 S524 G525 E526 A532 | L517-G528 WeakPolarHBondContact CD1-O 3.3Å; S524-G528 PolarHBondContact O-N 3.43Å; G525-G528 WeakPolarHBondContact O-CA 3.43Å; G525-G528 PolarHBondContact O-N 3.17Å; G525-G528 VanDerWaalsContact O-N 3.11Å; E526-G528 PolarHBondContact O-N 3.22Å; E526-G528 VanDerWaalsContact O-N 3.16Å; G528-A532 WeakPolarHBondContact O-CB 3.42Å; G528-A532 PolarHBondContact O-N 3.3Å |
| 529 | V | 83.8 | Confident | 77.3 | Confident | 8 Ų | 8 | 64.5 Ų | 64.5 | 5% | 0.048 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.3 | -49.7 | 174.3 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | G525 E526 K527 F531 A532 K533 F553 P561 F565 | G525-V529 PolarHBondContact O-N 3.41Å; E526-V529 WeakPolarHBondContact O-CA 3.41Å; E526-V529 VanDerWaalsContact O-CB 3.27Å; E526-V529 WeakPolarHBondContact O-CB 3.3Å; E526-V529 PolarHBondContact O-N 2.92Å; K527-V529 VanDerWaalsContact C-N 3.33Å; V529-F531 VanDerWaalsContact C-N 3.26Å; V529-F531 PolarHBondContact O-N 3.43Å; V529-A532 PolarHBondContact O-N 3.18Å; V529-A532 VanDerWaalsContact O-N 3.11Å; V529-K533 HydrophobicContact CG1-CD 4.36Å; V529-K533 HydrophobicContact CG1-CG 4.44Å; V529-K533 WeakPolarHBondContact O-CG 3.47Å; V529-K533 PolarHBondContact O-N 3.14Å; V529-F553 HydrophobicContact CG2-CE1 3.93Å; V529-F553 HydrophobicContact CG2-CZ 4.14Å; V529-P561 HydrophobicContact CG2-CB 3.47Å; V529-P561 VanDerWaalsContact CG2-CB 3.47Å; V529-P561 WeakPolarHBondContact CG2-O 3.36Å; V529-F565 HydrophobicContact CG1-CB 4.26Å |
| 530 | D | 82 | Confident | 76.1 | Confident | 90 Ų | 90 | 65.7 Ų | 65.7 | 48% | 0.481 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.8 | -41.7 | -179.4 | -64.4 | -28.8 | 0 | 0 | 0 | 111.1 | E526 L534 | E526-D530 PolarHBondContact O-N 2.68Å; D530-L534 WeakPolarHBondContact O-CG 3.45Å; D530-L534 PolarHBondContact O-N 2.97Å |
| 531 | F | 81.8 | Confident | 75 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 175.2 | -171.5 | -121.3 | 0 | 0 | 0 | 112.6 | F497 I500 Y513 I516 L517 I520 K527 V529 K533 L534 L535 | F497-F531 HydrophobicContact CB-CD2 3.93Å; F497-F531 HydrophobicContact CD1-CB 4.49Å; F497-F531 HydrophobicContact CD1-CD2 4.25Å; F497-F531 HydrophobicContact CG-CB 4.36Å; F497-F531 HydrophobicContact CG-CD2 4.29Å; I500-F531 HydrophobicContact CD1-CE2 4.3Å; Y513-F531 HydrophobicContact CD1-CZ 4.14Å; I516-F531 HydrophobicContact CB-CE1 4.19Å; I516-F531 HydrophobicContact CB-CZ 4.46Å; I516-F531 HydrophobicContact CG2-CE1 3.7Å; I516-F531 HydrophobicContact CG2-CZ 3.83Å; L517-F531 HydrophobicContact CB-CD1 4.28Å; L517-F531 HydrophobicContact CB-CE1 4.38Å; L517-F531 HydrophobicContact CD1-CD1 4.01Å; I520-F531 HydrophobicContact CD1-CB 4.14Å; I520-F531 HydrophobicContact CD1-CD1 3.57Å; I520-F531 HydrophobicContact CD1-CD2 4.47Å; I520-F531 HydrophobicContact CD1-CE1 4.03Å; I520-F531 HydrophobicContact CD1-CG 3.81Å; K527-F531 PolarHBondContact O-N 3.16Å; V529-F531 VanDerWaalsContact C-N 3.26Å; V529-F531 PolarHBondContact O-N 3.43Å; F531-K533 VanDerWaalsContact C-N 3.35Å; F531-K533 PolarHBondContact O-N 3.29Å; F531-L534 WeakPolarHBondContact O-CB 3.48Å; F531-L534 PolarHBondContact O-N 3.47Å; F531-L535 HydrophobicContact CD1-CD1 4.37Å; F531-L535 HydrophobicContact CE1-CD1 4.15Å; F531-L535 HydrophobicContact CZ-CD2 4.3Å; F531-L535 WeakPolarHBondContact O-CG 3.44Å; F531-L535 PolarHBondContact O-N 3.2Å |
| 532 | A | 83.3 | Confident | 74.2 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.6 | -41 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L517 G528 V529 L534 L535 I549 F553 F565 | L517-A532 HydrophobicContact CD1-CB 4.34Å; G528-A532 WeakPolarHBondContact O-CB 3.42Å; G528-A532 PolarHBondContact O-N 3.3Å; V529-A532 PolarHBondContact O-N 3.18Å; V529-A532 VanDerWaalsContact O-N 3.11Å; A532-L534 VanDerWaalsContact C-N 3.29Å; A532-L534 PolarHBondContact O-N 2.72Å; A532-L535 WeakPolarHBondContact O-CB 3.46Å; A532-L535 PolarHBondContact O-N 3.26Å; A532-L535 VanDerWaalsContact O-N 3.15Å; A532-I549 HydrophobicContact CB-CG2 3.98Å; A532-F553 HydrophobicContact CB-CE2 4.06Å; A532-F553 HydrophobicContact CB-CZ 4.14Å; A532-F565 HydrophobicContact CB-CD2 3.63Å; A532-F565 HydrophobicContact CB-CE2 3.71Å; A532-F565 HydrophobicContact CB-CG 4.28Å; A532-F565 HydrophobicContact CB-CZ 4.41Å |
| 533 | K | 83 | Confident | 73.7 | Confident | 74 Ų | 74 | 71.1 Ų | 71.1 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.8 | -38 | 174.4 | -70.4 | -178.2 | -175.7 | -170.4 | 0 | 112.2 | V529 F531 L535 V536 F565 D568 | V529-K533 HydrophobicContact CG1-CD 4.36Å; V529-K533 HydrophobicContact CG1-CG 4.44Å; V529-K533 WeakPolarHBondContact O-CG 3.47Å; V529-K533 PolarHBondContact O-N 3.14Å; F531-K533 VanDerWaalsContact C-N 3.35Å; F531-K533 PolarHBondContact O-N 3.29Å; K533-L535 VanDerWaalsContact C-N 3.28Å; K533-L535 PolarHBondContact O-N 3.42Å; K533-V536 CarbonylContact O-C 3.52Å; K533-V536 PolarHBondContact O-N 2.92Å; K533-F565 HydrophobicContact CG-CD2 4.3Å; K533-D568 WeakPolarHBondContact CE-OD2 3.33Å; K533-D568 IonicContact NZ-OD2 3.7Å; K533-D568 PolarHBondContact NZ-OD2 3.34Å |
| 534 | L | 79.4 | Confident | 73.6 | Confident | 24 Ų | 24 | 66.1 Ų | 66.1 | 13% | 0.126 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.8 | -27.2 | 177 | -75.4 | 167.4 | 0 | 0 | 0 | 113.4 | F497 D498 I501 D530 F531 A532 V536 R537 | F497-L534 HydrophobicContact CB-CD1 4Å; D498-L534 VanDerWaalsContact OD1-CD1 3.24Å; D498-L534 WeakPolarHBondContact OD1-CD1 3.49Å; D498-L534 WeakPolarHBondContact OD1-CD2 3.39Å; I501-L534 HydrophobicContact CD1-CB 3.71Å; I501-L534 WeakPolarHBondContact CD1-O 3.46Å; D530-L534 WeakPolarHBondContact O-CG 3.45Å; D530-L534 PolarHBondContact O-N 2.97Å; F531-L534 WeakPolarHBondContact O-CB 3.48Å; F531-L534 PolarHBondContact O-N 3.47Å; A532-L534 VanDerWaalsContact C-N 3.29Å; A532-L534 PolarHBondContact O-N 2.72Å; L534-V536 VanDerWaalsContact C-N 3.29Å; L534-R537 VanDerWaalsContact CD2-NH2 3.26Å |
| 535 | L | 79.3 | Confident | 73.6 | Confident | 4 Ų | 4 | 68.2 Ų | 68.2 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -75.7 | -18.8 | 176.5 | -62.3 | 175.1 | 0 | 0 | 0 | 113.2 | Y513 F531 A532 K533 L543 | Y513-L535 HydrophobicContact CD1-CD2 3.54Å; Y513-L535 HydrophobicContact CD2-CD2 4.46Å; Y513-L535 HydrophobicContact CE1-CD2 4.12Å; Y513-L535 HydrophobicContact CG-CD2 3.73Å; F531-L535 HydrophobicContact CD1-CD1 4.37Å; F531-L535 HydrophobicContact CE1-CD1 4.15Å; F531-L535 HydrophobicContact CZ-CD2 4.3Å; F531-L535 WeakPolarHBondContact O-CG 3.44Å; F531-L535 PolarHBondContact O-N 3.2Å; A532-L535 WeakPolarHBondContact O-CB 3.46Å; A532-L535 PolarHBondContact O-N 3.26Å; A532-L535 VanDerWaalsContact O-N 3.15Å; K533-L535 VanDerWaalsContact C-N 3.28Å; K533-L535 PolarHBondContact O-N 3.42Å; L535-L543 HydrophobicContact CD2-CB 4.28Å; L535-L543 HydrophobicContact CD2-CD1 4.31Å; L535-L543 PolarHBondContact O-N 3.08Å |
| 536 | V | 73.8 | Confident | 73.8 | Confident | 35 Ų | 35 | 68.9 Ų | 68.9 | 21% | 0.212 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -125.5 | 68.4 | -176.2 | -170.6 | 0 | 0 | 0 | 0 | 108.7 | K533 L534 P542 L546 I549 F565 | K533-V536 CarbonylContact O-C 3.52Å; K533-V536 PolarHBondContact O-N 2.92Å; L534-V536 VanDerWaalsContact C-N 3.29Å; V536-P542 HydrophobicContact CG2-CB 4.38Å; V536-L546 HydrophobicContact CG1-CD2 4.49Å; V536-L546 HydrophobicContact CG2-CD2 4.43Å; V536-I549 HydrophobicContact CG2-CD1 3.97Å; V536-F565 HydrophobicContact CG2-CE2 4.29Å; V536-F565 HydrophobicContact CG2-CZ 4.15Å |
| 537 | R | 68 | Low | 73.9 | Confident | 120 Ų | 120 | 64.7 Ų | 64.7 | 45% | 0.453 | 34% | 0.34 | S | S | . | . | trans | -81.6 | 139.5 | 176 | -78.3 | -177 | 174.6 | -174.3 | -1.3 | 111.5 | L534 G539 Q540 | L534-R537 VanDerWaalsContact CD2-NH2 3.26Å; R537-G539 PolarHBondContact O-N 3.2Å; R537-Q540 PolarHBondContact O-N 3.48Å | ||
| 538 | E | 56.6 | Low | 74.1 | Confident | 170 Ų | 170 | 64.4 Ų | 64.4 | 79% | 0.794 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 128.3 | 176.7 | -73.7 | -175.6 | 165.4 | 0 | 0 | 111.6 | ||
| 539 | G | 55.2 | Low | 74.2 | Confident | 85 Ų | 85 | 64.5 Ų | 64.5 | 88% | 0.876 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | -0.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | R537 | R537-G539 PolarHBondContact O-N 3.2Š|
| 540 | Q | 56.7 | Low | 74.2 | Confident | 125 Ų | 125 | 64.1 Ų | 64.1 | 58% | 0.584 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -118.3 | 153.2 | 176.2 | -66.5 | -176.5 | -27.5 | 0 | 0 | 111.2 | R537 | R537-Q540 PolarHBondContact O-N 3.48Š|
| 541 | E | 57.7 | Low | 74.3 | Confident | 181 Ų | 181 | 62.7 Ų | 62.7 | 85% | 0.846 | 33% | 0.331 | S | S | * | . | trans | -62.3 | 129.9 | 172.8 | -74.6 | -171.9 | 161.6 | 0 | 0 | 109.6 | L543 | E541-L543 PolarHBondContact O-N 3.16Š| ||
| 542 | P | 64.4 | Low | 74.5 | Confident | 70 Ų | 70 | 62.9 Ų | 62.9 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | trans | -62.7 | 131 | -178 | 24.7 | -32.3 | 0 | 0 | 0 | 110.3 | V536 A544 | V536-P542 HydrophobicContact CG2-CB 4.38Å; P542-A544 PolarHBondContact O-N 3.16Å | ||
| 543 | L | 69.9 | Low | 74.7 | Confident | 86 Ų | 86 | 62.9 Ų | 62.9 | 45% | 0.45 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -72 | -11.9 | -175.9 | -65.8 | 168.4 | 0 | 0 | 0 | 112.9 | Y513 L535 E541 | Y513-L543 HydrophobicContact CD2-CB 4.34Å; Y513-L543 HydrophobicContact CE2-CB 4.27Å; L535-L543 HydrophobicContact CD2-CB 4.28Å; L535-L543 HydrophobicContact CD2-CD1 4.31Å; L535-L543 PolarHBondContact O-N 3.08Å; E541-L543 PolarHBondContact O-N 3.16Å |
| 544 | A | 74.7 | Confident | 74.6 | Confident | 13 Ų | 13 | 61.8 Ų | 61.8 | 11% | 0.107 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -148.1 | 155.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | I514 P542 I549 | I514-A544 HydrophobicContact CG1-CB 4.34Å; P542-A544 PolarHBondContact O-N 3.16Å; A544-I549 HydrophobicContact CB-CD1 4.2Å; A544-I549 HydrophobicContact CB-CG1 4.36Å |
| 545 | D | 79 | Confident | 74.8 | Confident | 78 Ų | 78 | 66.4 Ų | 66.4 | 42% | 0.417 | 35% | 0.35 | S | S | . | . | trans | -68.8 | 128.9 | 178.8 | -178.6 | 0.6 | 0 | 0 | 0 | 111.4 | N547 Q548 I549 | D545-N547 VanDerWaalsContact C-N 3.26Å; D545-N547 PolarHBondContact O-N 3.01Å; D545-N547 PolarHBondContact OD1-N 3.28Å; D545-N547 VanDerWaalsContact OD1-N 3.08Å; D545-N547 PolarHBondContact OD1-ND2 2.9Å; D545-Q548 HydrophobicContact CB-CB 4.35Å; D545-Q548 HydrophobicContact CB-CG 4.09Å; D545-Q548 PolarHBondContact O-N 3.42Å; D545-Q548 VanDerWaalsContact O-N 3.13Å; D545-I549 WeakPolarHBondContact O-CG1 3.42Å; D545-I549 PolarHBondContact O-N 3.27Å; D545-I549 VanDerWaalsContact O-N 3.11Å | ||
| 546 | L | 80.1 | Confident | 75 | Confident | 29 Ų | 29 | 69.1 Ų | 69.1 | 15% | 0.152 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -55.1 | -38.7 | 178.8 | -83.9 | 147.6 | 0 | 0 | 0 | 112.5 | V536 Q548 I549 V550 F565 A569 L580 | V536-L546 HydrophobicContact CG1-CD2 4.49Å; V536-L546 HydrophobicContact CG2-CD2 4.43Å; L546-Q548 PolarHBondContact O-N 2.87Å; L546-I549 PolarHBondContact O-N 3.38Å; L546-V550 VanDerWaalsContact O-CG2 3.3Å; L546-V550 WeakPolarHBondContact O-CG2 3.48Å; L546-V550 PolarHBondContact O-N 3.32Å; L546-F565 HydrophobicContact CD2-CE1 4.13Å; L546-F565 HydrophobicContact CD2-CZ 3.91Å; L546-A569 HydrophobicContact CD2-CB 3.8Å; L546-L580 HydrophobicContact CB-CD1 4.18Å |
| 547 | N | 82 | Confident | 75.4 | Confident | 70 Ų | 70 | 73.8 Ų | 73.8 | 37% | 0.374 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 178.7 | -70 | -70.3 | 0 | 0 | 0 | 111.7 | D545 I549 V550 D551 | D545-N547 VanDerWaalsContact C-N 3.26Å; D545-N547 PolarHBondContact O-N 3.01Å; D545-N547 PolarHBondContact OD1-N 3.28Å; D545-N547 VanDerWaalsContact OD1-N 3.08Å; D545-N547 PolarHBondContact OD1-ND2 2.9Å; N547-I549 VanDerWaalsContact C-N 3.33Å; N547-I549 PolarHBondContact O-N 2.86Å; N547-V550 PolarHBondContact O-N 2.83Å; N547-D551 VanDerWaalsContact O-CG 3.25Å; N547-D551 PolarHBondContact O-N 2.81Å |
| 548 | Q | 82.5 | Confident | 76.1 | Confident | 91 Ų | 91 | 70 Ų | 70 | 43% | 0.425 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68 | -34.3 | 179.5 | -64.5 | 179.4 | -7.2 | 0 | 0 | 111.9 | I514 D545 L546 C552 | I514-Q548 HydrophobicContact CD1-CB 4.33Å; D545-Q548 HydrophobicContact CB-CB 4.35Å; D545-Q548 HydrophobicContact CB-CG 4.09Å; D545-Q548 PolarHBondContact O-N 3.42Å; D545-Q548 VanDerWaalsContact O-N 3.13Å; L546-Q548 PolarHBondContact O-N 2.87Å; Q548-C552 PolarHBondContact O-N 3.23Å; Q548-C552 PolarHBondContact O-SG 2.85Å |
| 549 | I | 84.9 | Confident | 77.4 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.9 | -48.1 | 173.3 | -64.4 | 170.9 | 0 | 0 | 0 | 110.1 | L517 A532 V536 A544 D545 L546 N547 D551 C552 F553 F565 | L517-I549 HydrophobicContact CD2-CB 4.44Å; L517-I549 HydrophobicContact CD2-CG1 4.31Å; L517-I549 HydrophobicContact CD2-CG2 4Å; A532-I549 HydrophobicContact CB-CG2 3.98Å; V536-I549 HydrophobicContact CG2-CD1 3.97Å; A544-I549 HydrophobicContact CB-CD1 4.2Å; A544-I549 HydrophobicContact CB-CG1 4.36Å; D545-I549 WeakPolarHBondContact O-CG1 3.42Å; D545-I549 PolarHBondContact O-N 3.27Å; D545-I549 VanDerWaalsContact O-N 3.11Å; L546-I549 PolarHBondContact O-N 3.38Å; N547-I549 VanDerWaalsContact C-N 3.33Å; N547-I549 PolarHBondContact O-N 2.86Å; I549-D551 PolarHBondContact O-N 3.28Å; I549-C552 WeakPolarHBondContact O-CB 3.35Å; I549-C552 PolarHBondContact O-N 3.24Å; I549-F553 HydrophobicContact CG2-CD2 4.16Å; I549-F553 HydrophobicContact CG2-CE2 3.8Å; I549-F553 VanDerWaalsContact O-CD2 3.27Å; I549-F553 WeakPolarHBondContact O-CD2 3.27Å; I549-F553 PolarHBondContact O-N 3.44Å; I549-F565 HydrophobicContact CB-CE1 4.15Å; I549-F565 HydrophobicContact CB-CZ 4.28Å; I549-F565 HydrophobicContact CD1-CZ 4.04Å; I549-F565 HydrophobicContact CG2-CD1 4.02Å; I549-F565 HydrophobicContact CG2-CE1 3.43Å; I549-F565 VanDerWaalsContact CG2-CE1 3.43Å; I549-F565 HydrophobicContact CG2-CE2 4.29Å; I549-F565 HydrophobicContact CG2-CZ 3.59Å |
| 550 | V | 83.1 | Confident | 78.7 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 178.2 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | L546 N547 C552 F553 L554 F565 L566 L580 | L546-V550 VanDerWaalsContact O-CG2 3.3Å; L546-V550 WeakPolarHBondContact O-CG2 3.48Å; L546-V550 PolarHBondContact O-N 3.32Å; N547-V550 PolarHBondContact O-N 2.83Å; V550-C552 VanDerWaalsContact C-N 3.27Å; V550-C552 PolarHBondContact O-N 3.35Å; V550-F553 PolarHBondContact O-N 3.4Å; V550-F553 VanDerWaalsContact O-N 3.08Å; V550-L554 HydrophobicContact CG1-CD1 3.94Å; V550-L554 HydrophobicContact CG1-CG 4.37Å; V550-L554 WeakPolarHBondContact O-CG 2.92Å; V550-L554 PolarHBondContact O-N 3.24Å; V550-F565 HydrophobicContact CG2-CE1 4.5Å; V550-L566 HydrophobicContact CG2-CD1 4.23Å; V550-L566 HydrophobicContact CG2-CD2 3.68Å; V550-L566 HydrophobicContact CG2-CG 4.15Å; V550-L580 HydrophobicContact CG2-CD2 4.48Å |
| 551 | D | 85.9 | Confident | 80 | Confident | 60 Ų | 60 | 61.4 Ų | 61.4 | 32% | 0.321 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.6 | -36.2 | 177.8 | -68.2 | -24 | 0 | 0 | 0 | 111.5 | N547 I549 F553 L554 E555 R583 | N547-D551 VanDerWaalsContact O-CG 3.25Å; N547-D551 PolarHBondContact O-N 2.81Å; I549-D551 PolarHBondContact O-N 3.28Å; D551-F553 VanDerWaalsContact C-N 3.33Å; D551-F553 PolarHBondContact O-N 2.64Å; D551-L554 PolarHBondContact O-N 2.73Å; D551-E555 WeakPolarHBondContact O-CB 3.47Å; D551-E555 VanDerWaalsContact O-CG 3.3Å; D551-E555 WeakPolarHBondContact O-CG 3.2Å; D551-E555 PolarHBondContact O-N 2.89Å; D551-R583 IonicContact OD1-CZ 2.91Å; D551-R583 IonicContact OD1-NH1 2.78Å; D551-R583 PolarHBondContact OD1-NH1 3.33Å; D551-R583 IonicContact OD1-NH2 3.49Å; D551-R583 PolarHBondContact OD1-NH2 3.36Å |
| 552 | C | 85.9 | Confident | 81.3 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.02 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.3 | -36.9 | 173.7 | -71 | 0 | 0 | 0 | 0 | 113.1 | L517 L521 Q548 I549 V550 | L517-C552 HydrophobicContact CD2-CB 4.26Å; L521-C552 HydrophobicContact CD1-CB 3.83Å; Q548-C552 PolarHBondContact O-N 3.23Å; Q548-C552 PolarHBondContact O-SG 2.85Å; I549-C552 WeakPolarHBondContact O-CB 3.35Å; I549-C552 PolarHBondContact O-N 3.24Å; V550-C552 VanDerWaalsContact C-N 3.27Å; V550-C552 PolarHBondContact O-N 3.35Å |
| 553 | F | 86.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.3 | -40.7 | 174.7 | -77.8 | -79.9 | 0 | 0 | 0 | 112 | L521 V529 A532 I549 V550 D551 V556 N557 L558 P561 C562 F565 | L521-F553 HydrophobicContact CD1-CD1 4.4Å; L521-F553 HydrophobicContact CD1-CG 4.49Å; L521-F553 HydrophobicContact CD2-CD1 3.65Å; L521-F553 HydrophobicContact CD2-CE1 3.35Å; L521-F553 HydrophobicContact CD2-CG 4.48Å; L521-F553 HydrophobicContact CD2-CZ 3.98Å; V529-F553 HydrophobicContact CG2-CE1 3.93Å; V529-F553 HydrophobicContact CG2-CZ 4.14Å; A532-F553 HydrophobicContact CB-CE2 4.06Å; A532-F553 HydrophobicContact CB-CZ 4.14Å; I549-F553 HydrophobicContact CG2-CD2 4.16Å; I549-F553 HydrophobicContact CG2-CE2 3.8Å; I549-F553 VanDerWaalsContact O-CD2 3.27Å; I549-F553 WeakPolarHBondContact O-CD2 3.27Å; I549-F553 PolarHBondContact O-N 3.44Å; V550-F553 PolarHBondContact O-N 3.4Å; V550-F553 VanDerWaalsContact O-N 3.08Å; D551-F553 VanDerWaalsContact C-N 3.33Å; D551-F553 PolarHBondContact O-N 2.64Å; F553-V556 PolarHBondContact O-N 3Å; F553-N557 PolarHBondContact O-N 3.02Å; F553-L558 HydrophobicContact CD1-CB 4.29Å; F553-L558 PolarHBondContact O-N 3.4Å; F553-P561 HydrophobicContact CD1-CB 4.09Å; F553-P561 HydrophobicContact CE1-CB 3.91Å; F553-C562 HydrophobicContact CB-CB 3.72Å; F553-C562 HydrophobicContact CD1-CB 4.41Å; F553-C562 HydrophobicContact CG-CB 4.01Å; F553-F565 HydrophobicContact CE2-CB 4.33Å; F553-F565 HydrophobicContact CE2-CD1 4.25Å; F553-F565 HydrophobicContact CE2-CG 4.25Å; F553-F565 HydrophobicContact CZ-CB 4.49Å |
| 554 | L | 82.2 | Confident | 82.9 | Confident | 51 Ų | 51 | 48.1 Ų | 48.1 | 27% | 0.267 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -71.3 | -35.5 | -178.8 | -65.1 | 177.1 | 0 | 0 | 0 | 112.7 | V550 D551 V556 N557 I587 | V550-L554 HydrophobicContact CG1-CD1 3.94Å; V550-L554 HydrophobicContact CG1-CG 4.37Å; V550-L554 WeakPolarHBondContact O-CG 2.92Å; V550-L554 PolarHBondContact O-N 3.24Å; D551-L554 PolarHBondContact O-N 2.73Å; L554-V556 PolarHBondContact O-N 3.18Å; L554-V556 VanDerWaalsContact O-N 3.14Å; L554-N557 PolarHBondContact O-N 2.73Å; L554-I587 HydrophobicContact CD1-CD1 4.13Å; L554-I587 HydrophobicContact CD2-CD1 4.16Å |
| 555 | E | 82.5 | Confident | 83.4 | Confident | 121 Ų | 121 | 47.5 Ų | 47.5 | 57% | 0.565 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -54.6 | -30.4 | 172.7 | -81.5 | 176.6 | -175 | 0 | 0 | 112.2 | R518 D551 | R518-E555 IonicContact CZ-OE1 3.61Å; R518-E555 IonicContact CZ-OE2 3.58Å; R518-E555 IonicContact NE-OE2 3.73Å; R518-E555 PolarHBondContact NE-OE2 2.84Å; R518-E555 VanDerWaalsContact NE-OE2 3.09Å; R518-E555 IonicContact NH2-OE1 3.42Å; R518-E555 PolarHBondContact NH2-OE1 3.29Å; R518-E555 IonicContact NH2-OE2 2.88Å; R518-E555 PolarHBondContact NH2-OE2 3.27Å; D551-E555 WeakPolarHBondContact O-CB 3.47Å; D551-E555 VanDerWaalsContact O-CG 3.3Å; D551-E555 WeakPolarHBondContact O-CG 3.2Å; D551-E555 PolarHBondContact O-N 2.89Å |
| 556 | V | 84.1 | Confident | 83.7 | Confident | 61 Ų | 61 | 44 Ų | 44 | 37% | 0.37 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 4.7 | -180 | -162.8 | 0 | 0 | 0 | 0 | 112 | L521 F553 L554 L558 | L521-V556 HydrophobicContact CB-CG2 4.48Å; F553-V556 PolarHBondContact O-N 3Å; L554-V556 PolarHBondContact O-N 3.18Å; L554-V556 VanDerWaalsContact O-N 3.14Å; V556-L558 VanDerWaalsContact C-N 3.28Å; V556-L558 HydrophobicContact CB-CD1 4.16Å; V556-L558 HydrophobicContact CB-CG 4.21Å; V556-L558 HydrophobicContact CG1-CD1 4.04Å; V556-L558 HydrophobicContact CG1-CG 4.17Å; V556-L558 PolarHBondContact O-N 2.8Å |
| 557 | N | 81.1 | Confident | 83.9 | Confident | 133 Ų | 133 | 44.6 Ų | 44.6 | 71% | 0.711 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 32.8 | -178.3 | -156.5 | 25.7 | 0 | 0 | 0 | 114.3 | F553 L554 V559 | F553-N557 PolarHBondContact O-N 3.02Å; L554-N557 PolarHBondContact O-N 2.73Å; N557-V559 PolarHBondContact O-N 2.93Å |
| 558 | L | 83.2 | Confident | 83.8 | Confident | 42 Ų | 42 | 45 Ų | 45 | 22% | 0.22 | 24% | 0.237 | C | C | . | . | trans | -93.9 | 68.9 | -178.7 | -69.6 | 174.2 | 0 | 0 | 0 | 111.8 | L521 F553 V556 P561 C562 | L521-L558 HydrophobicContact CD2-CD1 4.1Å; F553-L558 HydrophobicContact CD1-CB 4.29Å; F553-L558 PolarHBondContact O-N 3.4Å; V556-L558 VanDerWaalsContact C-N 3.28Å; V556-L558 HydrophobicContact CB-CD1 4.16Å; V556-L558 HydrophobicContact CB-CG 4.21Å; V556-L558 HydrophobicContact CG1-CD1 4.04Å; V556-L558 HydrophobicContact CG1-CG 4.17Å; V556-L558 PolarHBondContact O-N 2.8Å; L558-P561 HydrophobicContact CB-CB 4.37Å; L558-P561 HydrophobicContact CB-CG 4.14Å; L558-P561 HydrophobicContact CD2-CG 4.49Å; L558-P561 WeakPolarHBondContact O-CD 3.43Å; L558-C562 WeakPolarHBondContact O-CB 3.36Å; L558-C562 PolarHBondContact O-N 2.93Å; L558-C562 VanDerWaalsContact O-N 3.09Å | ||
| 559 | V | 83.3 | Confident | 83.7 | Confident | 24 Ų | 24 | 41.7 Ų | 41.7 | 15% | 0.145 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -48.2 | -173.5 | -179.8 | 0 | 0 | 0 | 0 | 113.2 | N557 C562 T563 I587 | N557-V559 PolarHBondContact O-N 2.93Å; V559-C562 VanDerWaalsContact O-CB 3.32Å; V559-C562 WeakPolarHBondContact O-CB 3.15Å; V559-C562 PolarHBondContact O-N 3.28Å; V559-C562 VanDerWaalsContact O-N 3.13Å; V559-T563 PolarHBondContact O-N 3.18Å; V559-T563 PolarHBondContact O-OG1 3.36Å; V559-I587 HydrophobicContact CG1-CG2 3.56Å; V559-I587 HydrophobicContact CG2-CG2 4.46Å |
| 560 | Q | 82.3 | Confident | 83.5 | Confident | 151 Ų | 151 | 41.7 Ų | 41.7 | 71% | 0.706 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -63.6 | -44.9 | -177.9 | -179.4 | -174 | 18.4 | 0 | 0 | 113 | C562 T563 S564 | Q560-C562 VanDerWaalsContact C-N 3.33Å; Q560-C562 PolarHBondContact O-N 3.18Å; Q560-T563 PolarHBondContact O-N 3.07Å; Q560-S564 PolarHBondContact O-N 3.08Å |
| 561 | P | 84.2 | Confident | 83.3 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 15% | 0.149 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.9 | -37.5 | 168.4 | -28.8 | 37.7 | 0 | 0 | 0 | 114.3 | V529 F553 L558 S564 F565 | V529-P561 HydrophobicContact CG2-CB 3.47Å; V529-P561 VanDerWaalsContact CG2-CB 3.47Å; V529-P561 WeakPolarHBondContact CG2-O 3.36Å; F553-P561 HydrophobicContact CD1-CB 4.09Å; F553-P561 HydrophobicContact CE1-CB 3.91Å; L558-P561 HydrophobicContact CB-CB 4.37Å; L558-P561 HydrophobicContact CB-CG 4.14Å; L558-P561 HydrophobicContact CD2-CG 4.49Å; L558-P561 WeakPolarHBondContact O-CD 3.43Å; P561-S564 PolarHBondContact O-N 2.87Å; P561-S564 PolarHBondContact O-OG 3.34Å; P561-F565 PolarHBondContact O-N 3.38Å; P561-F565 VanDerWaalsContact O-N 3.16Å |
| 562 | C | 85.2 | Confident | 82.9 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.02 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 176.1 | -168.1 | 0 | 0 | 0 | 0 | 111.7 | F553 L558 V559 Q560 S564 F565 L566 | F553-C562 HydrophobicContact CB-CB 3.72Å; F553-C562 HydrophobicContact CD1-CB 4.41Å; F553-C562 HydrophobicContact CG-CB 4.01Å; L558-C562 WeakPolarHBondContact O-CB 3.36Å; L558-C562 PolarHBondContact O-N 2.93Å; L558-C562 VanDerWaalsContact O-N 3.09Å; V559-C562 VanDerWaalsContact O-CB 3.32Å; V559-C562 WeakPolarHBondContact O-CB 3.15Å; V559-C562 PolarHBondContact O-N 3.28Å; V559-C562 VanDerWaalsContact O-N 3.13Å; Q560-C562 VanDerWaalsContact C-N 3.33Å; Q560-C562 PolarHBondContact O-N 3.18Å; C562-S564 PolarHBondContact O-N 3.13Å; C562-F565 PolarHBondContact O-N 3.48Å; C562-L566 WeakPolarHBondContact O-CB 3.5Å; C562-L566 WeakPolarHBondContact O-CG 3.5Å; C562-L566 PolarHBondContact O-N 2.86Å |
| 563 | T | 85.1 | Confident | 82.5 | Confident | 9 Ų | 9 | 49.5 Ų | 49.5 | 6% | 0.055 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 177.2 | -64.5 | 0 | 0 | 0 | 0 | 111.1 | V559 Q560 F565 L566 L567 L584 N588 I595 I599 | V559-T563 PolarHBondContact O-N 3.18Å; V559-T563 PolarHBondContact O-OG1 3.36Å; Q560-T563 PolarHBondContact O-N 3.07Å; T563-F565 PolarHBondContact O-N 3.16Å; T563-L566 PolarHBondContact O-N 3.31Å; T563-L567 HydrophobicContact CG2-CD1 4.12Å; T563-L567 HydrophobicContact CG2-CG 4.42Å; T563-L567 VanDerWaalsContact O-CG 3.3Å; T563-L567 WeakPolarHBondContact O-CG 3.48Å; T563-L567 PolarHBondContact O-N 3.26Å; T563-L584 HydrophobicContact CG2-CD1 4.14Å; T563-N588 PolarHBondContact OG1-ND2 3.05Å; T563-N588 VanDerWaalsContact OG1-ND2 3.08Å; T563-N588 PolarHBondContact OG1-OD1 3.09Å; T563-I595 HydrophobicContact CG2-CG2 4.06Å; T563-I599 HydrophobicContact CG2-CD1 4.17Å |
| 564 | S | 82.5 | Confident | 82.1 | Confident | 46 Ų | 46 | 56 Ų | 56 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.3 | -34.4 | 178.9 | 68.7 | 0 | 0 | 0 | 0 | 113.2 | Q560 P561 C562 | Q560-S564 PolarHBondContact O-N 3.08Å; P561-S564 PolarHBondContact O-N 2.87Å; P561-S564 PolarHBondContact O-OG 3.34Å; C562-S564 PolarHBondContact O-N 3.13Å |
| 565 | F | 86.6 | Confident | 81.8 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.3 | -48.6 | 171.8 | 169.3 | -107.8 | 0 | 0 | 0 | 111.8 | V529 A532 K533 V536 L546 I549 V550 F553 P561 C562 T563 L567 D568 A569 | V529-F565 HydrophobicContact CG1-CB 4.26Å; A532-F565 HydrophobicContact CB-CD2 3.63Å; A532-F565 HydrophobicContact CB-CE2 3.71Å; A532-F565 HydrophobicContact CB-CG 4.28Å; A532-F565 HydrophobicContact CB-CZ 4.41Å; K533-F565 HydrophobicContact CG-CD2 4.3Å; V536-F565 HydrophobicContact CG2-CE2 4.29Å; V536-F565 HydrophobicContact CG2-CZ 4.15Å; L546-F565 HydrophobicContact CD2-CE1 4.13Å; L546-F565 HydrophobicContact CD2-CZ 3.91Å; I549-F565 HydrophobicContact CB-CE1 4.15Å; I549-F565 HydrophobicContact CB-CZ 4.28Å; I549-F565 HydrophobicContact CD1-CZ 4.04Å; I549-F565 HydrophobicContact CG2-CD1 4.02Å; I549-F565 HydrophobicContact CG2-CE1 3.43Å; I549-F565 VanDerWaalsContact CG2-CE1 3.43Å; I549-F565 HydrophobicContact CG2-CE2 4.29Å; I549-F565 HydrophobicContact CG2-CZ 3.59Å; V550-F565 HydrophobicContact CG2-CE1 4.5Å; F553-F565 HydrophobicContact CE2-CB 4.33Å; F553-F565 HydrophobicContact CE2-CD1 4.25Å; F553-F565 HydrophobicContact CE2-CG 4.25Å; F553-F565 HydrophobicContact CZ-CB 4.49Å; P561-F565 PolarHBondContact O-N 3.38Å; P561-F565 VanDerWaalsContact O-N 3.16Å; C562-F565 PolarHBondContact O-N 3.48Å; T563-F565 PolarHBondContact O-N 3.16Å; F565-L567 PolarHBondContact O-N 3.15Å; F565-D568 PolarHBondContact O-N 3.23Å; F565-A569 HydrophobicContact CE1-CB 4.44Å; F565-A569 HydrophobicContact CE2-CB 4.38Å; F565-A569 HydrophobicContact CZ-CB 4.19Å; F565-A569 WeakPolarHBondContact O-CB 3.38Å; F565-A569 PolarHBondContact O-N 3.39Å |
| 566 | L | 85.7 | Confident | 81.4 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.9 | -36.5 | -178 | -79.2 | 172.3 | 0 | 0 | 0 | 112.9 | V550 C562 T563 D568 A569 L570 L584 | V550-L566 HydrophobicContact CG2-CD1 4.23Å; V550-L566 HydrophobicContact CG2-CD2 3.68Å; V550-L566 HydrophobicContact CG2-CG 4.15Å; C562-L566 WeakPolarHBondContact O-CB 3.5Å; C562-L566 WeakPolarHBondContact O-CG 3.5Å; C562-L566 PolarHBondContact O-N 2.86Å; T563-L566 PolarHBondContact O-N 3.31Å; L566-D568 VanDerWaalsContact C-N 3.29Å; L566-D568 PolarHBondContact O-N 3.36Å; L566-A569 PolarHBondContact O-N 2.93Å; L566-L570 HydrophobicContact CB-CD1 4.38Å; L566-L570 HydrophobicContact CD2-CD1 4.16Å; L566-L570 HydrophobicContact CD2-CG 4.4Å; L566-L570 VanDerWaalsContact O-CB 3.23Å; L566-L570 WeakPolarHBondContact O-CB 3.29Å; L566-L570 VanDerWaalsContact O-CG 3.25Å; L566-L570 WeakPolarHBondContact O-CG 3.35Å; L566-L570 PolarHBondContact O-N 3.28Å; L566-L584 HydrophobicContact CB-CD1 3.77Å; L566-L584 HydrophobicContact CB-CD2 4.26Å; L566-L584 HydrophobicContact CD1-CB 4.23Å; L566-L584 HydrophobicContact CD1-CD1 3.75Å; L566-L584 HydrophobicContact CG-CD1 4.41Å |
| 567 | L | 83.3 | Confident | 81.3 | Confident | 41 Ų | 41 | 55.1 Ų | 55.1 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.6 | -37.4 | 176.3 | -73.4 | 172.1 | 0 | 0 | 0 | 112.8 | T563 F565 L584 I599 M604 F605 | T563-L567 HydrophobicContact CG2-CD1 4.12Å; T563-L567 HydrophobicContact CG2-CG 4.42Å; T563-L567 VanDerWaalsContact O-CG 3.3Å; T563-L567 WeakPolarHBondContact O-CG 3.48Å; T563-L567 PolarHBondContact O-N 3.26Å; F565-L567 PolarHBondContact O-N 3.15Å; L567-L584 HydrophobicContact CD2-CD2 4.25Å; L567-I599 HydrophobicContact CD2-CD1 4.08Å; L567-I599 HydrophobicContact CD2-CG1 4.03Å; L567-I599 HydrophobicContact CD2-CG2 4.4Å; L567-M604 HydrophobicContact CD2-CE 3.92Å; L567-M604 HydrophobicContact CD2-SD 4.11Å; L567-F605 HydrophobicContact CD2-CE2 3.9Å; L567-F605 HydrophobicContact CD2-CZ 3.94Å |
| 568 | D | 80.7 | Confident | 81.3 | Confident | 79 Ų | 79 | 49.1 Ų | 49.1 | 42% | 0.422 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -79 | -41.1 | 176.4 | -77.4 | -12.1 | 0 | 0 | 0 | 111.6 | K533 F565 L566 L570 K571 | K533-D568 WeakPolarHBondContact CE-OD2 3.33Å; K533-D568 IonicContact NZ-OD2 3.7Å; K533-D568 PolarHBondContact NZ-OD2 3.34Å; F565-D568 PolarHBondContact O-N 3.23Å; L566-D568 VanDerWaalsContact C-N 3.29Å; L566-D568 PolarHBondContact O-N 3.36Å; D568-L570 VanDerWaalsContact C-N 3.34Å; D568-L570 PolarHBondContact O-N 3.13Å; D568-K571 WeakPolarHBondContact O-CB 3.35Å; D568-K571 PolarHBondContact O-N 3.14Å |
| 569 | A | 79 | Confident | 81.3 | Confident | 21 Ų | 21 | 51.8 Ų | 51.8 | 17% | 0.174 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.6 | -33.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L546 F565 L566 | L546-A569 HydrophobicContact CD2-CB 3.8Å; F565-A569 HydrophobicContact CE1-CB 4.44Å; F565-A569 HydrophobicContact CE2-CB 4.38Å; F565-A569 HydrophobicContact CZ-CB 4.19Å; F565-A569 WeakPolarHBondContact O-CB 3.38Å; F565-A569 PolarHBondContact O-N 3.39Å; L566-A569 PolarHBondContact O-N 2.93Å |
| 570 | L | 81.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 7.2 | -177.2 | -61.3 | 178 | 0 | 0 | 0 | 113.5 | L566 D568 A572 D573 E577 L580 Q581 L584 F605 | L566-L570 HydrophobicContact CB-CD1 4.38Å; L566-L570 HydrophobicContact CD2-CD1 4.16Å; L566-L570 HydrophobicContact CD2-CG 4.4Å; L566-L570 VanDerWaalsContact O-CB 3.23Å; L566-L570 WeakPolarHBondContact O-CB 3.29Å; L566-L570 VanDerWaalsContact O-CG 3.25Å; L566-L570 WeakPolarHBondContact O-CG 3.35Å; L566-L570 PolarHBondContact O-N 3.28Å; D568-L570 VanDerWaalsContact C-N 3.34Å; D568-L570 PolarHBondContact O-N 3.13Å; L570-A572 PolarHBondContact O-N 2.95Å; L570-D573 PolarHBondContact O-N 3.34Å; L570-E577 HydrophobicContact CD2-CB 3.66Å; L570-E577 HydrophobicContact CD2-CG 3.99Å; L570-L580 HydrophobicContact CD1-CB 4.3Å; L570-L580 HydrophobicContact CD2-CB 4.13Å; L570-L580 HydrophobicContact CD2-CD1 4.45Å; L570-Q581 HydrophobicContact CD1-CG 4.16Å; L570-L584 HydrophobicContact CD1-CD2 4.22Å; L570-F605 HydrophobicContact CB-CD1 4.34Å; L570-F605 HydrophobicContact CB-CE1 3.49Å; L570-F605 VanDerWaalsContact CB-CE1 3.49Å; L570-F605 HydrophobicContact CB-CZ 3.98Å; L570-F605 WeakPolarHBondContact O-CE1 3.4Å |
| 571 | K | 79.1 | Confident | 81.5 | Confident | 138 Ų | 138 | 44.1 Ų | 44.1 | 60% | 0.6 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -21.4 | -173.5 | -168.5 | 179.9 | 179 | -172.1 | 0 | 114.3 | D568 D573 | D568-K571 WeakPolarHBondContact O-CB 3.35Å; D568-K571 PolarHBondContact O-N 3.14Å; K571-D573 VanDerWaalsContact C-N 3.31Å |
| 572 | A | 76.6 | Confident | 81.6 | Confident | 59 Ų | 59 | 44.2 Ų | 44.2 | 49% | 0.488 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -3.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L570 R574 | L570-A572 PolarHBondContact O-N 2.95Å; A572-R574 HydrophobicContact CB-CG 4.04Å; A572-R574 PolarHBondContact O-N 3.26Å |
| 573 | D | 78.3 | Confident | 81.6 | Confident | 32 Ų | 32 | 48 Ų | 48 | 17% | 0.171 | 27% | 0.268 | C | S | . | . | trans | 45.1 | 52.3 | 175.8 | -166.4 | 25.9 | 0 | 0 | 0 | 113.7 | L570 K571 Q581 F605 H606 H607 | L570-D573 PolarHBondContact O-N 3.34Å; K571-D573 VanDerWaalsContact C-N 3.31Å; D573-Q581 PolarHBondContact OD1-NE2 3.13Å; D573-F605 WeakPolarHBondContact OD1-CA 3.2Å; D573-H606 PolarHBondContact OD1-N 3.16Å; D573-H606 VanDerWaalsContact OD1-N 3.09Å; D573-H606 IonicContact OD2-CE1 2.85Å; D573-H606 IonicContact OD2-CG 3.82Å; D573-H606 PolarHBondContact OD2-N 2.74Å; D573-H606 IonicContact OD2-ND1 3.57Å; D573-H606 PolarHBondContact OD2-ND1 2.97Å; D573-H607 PolarHBondContact O-CD2 3.09Å; D573-H607 VanDerWaalsContact O-CD2 3.31Å; D573-H607 PolarHBondContact O-NE2 3.07Å; D573-H607 IonicContact OD1-CD2 3.05Å | ||
| 574 | R | 77.9 | Confident | 81.6 | Confident | 137 Ų | 137 | 47.6 Ų | 47.6 | 52% | 0.517 | 27% | 0.266 | S | S | . | . | trans | -83.8 | 142.9 | -174.6 | -60.1 | 177.8 | -177.3 | 158.7 | -2.2 | 111.3 | A572 S576 E577 | A572-R574 HydrophobicContact CB-CG 4.04Å; A572-R574 PolarHBondContact O-N 3.26Å; R574-S576 PolarHBondContact O-N 3.27Å; R574-S576 VanDerWaalsContact O-N 3.16Å; R574-E577 HydrophobicContact CB-CG 4.15Å; R574-E577 WeakPolarHBondContact CD-OE1 3.35Å; R574-E577 PolarHBondContact N-OE2 3.07Å; R574-E577 IonicContact NH1-OE1 3.33Å; R574-E577 WeakPolarHBondContact O-CB 3.21Å; R574-E577 PolarHBondContact O-N 3.03Å | ||
| 575 | P | 75.2 | Confident | 81.7 | Confident | 95 Ų | 95 | 45.5 Ų | 45.5 | 62% | 0.617 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -56.8 | -33.9 | 177.1 | -25.9 | 32 | 0 | 0 | 0 | 114.5 | E577 G578 | P575-E577 PolarHBondContact O-N 3.32Å; P575-G578 PolarHBondContact O-N 3.24Å |
| 576 | S | 75.4 | Confident | 81.7 | Confident | 101 Ų | 101 | 48.9 Ų | 48.9 | 71% | 0.706 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -64.9 | -18.5 | 177.2 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | R574 | R574-S576 PolarHBondContact O-N 3.27Å; R574-S576 VanDerWaalsContact O-N 3.16Å |
| 577 | E | 80.9 | Confident | 81.6 | Confident | 18 Ų | 18 | 50.1 Ų | 50.1 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -95.3 | -0.1 | -178.5 | -61.2 | 165.3 | -178.1 | 0 | 0 | 112.4 | L570 R574 P575 P579 L580 Q581 | L570-E577 HydrophobicContact CD2-CB 3.66Å; L570-E577 HydrophobicContact CD2-CG 3.99Å; R574-E577 HydrophobicContact CB-CG 4.15Å; R574-E577 WeakPolarHBondContact CD-OE1 3.35Å; R574-E577 PolarHBondContact N-OE2 3.07Å; R574-E577 IonicContact NH1-OE1 3.33Å; R574-E577 WeakPolarHBondContact O-CB 3.21Å; R574-E577 PolarHBondContact O-N 3.03Å; P575-E577 PolarHBondContact O-N 3.32Å; E577-P579 VanDerWaalsContact C-CD 3.46Å; E577-P579 VanDerWaalsContact C-N 3.35Å; E577-L580 WeakPolarHBondContact O-CA 3.27Å; E577-L580 WeakPolarHBondContact O-CB 3.39Å; E577-L580 PolarHBondContact O-N 3.09Å; E577-Q581 PolarHBondContact O-N 3.36Å |
| 578 | G | 81.4 | Confident | 81.6 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 6% | 0.062 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -49.5 | -40.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | P575 L580 Q581 T582 H607 | P575-G578 PolarHBondContact O-N 3.24Å; G578-L580 PolarHBondContact O-N 3.15Å; G578-Q581 PolarHBondContact O-N 3.4Å; G578-T582 PolarHBondContact O-N 3.33Å; G578-T582 PolarHBondContact O-OG1 2.89Å; G578-H607 WeakPolarHBondContact CA-O 3.3Å |
| 579 | P | 83.4 | Confident | 81.6 | Confident | 98 Ų | 98 | 44.5 Ų | 44.5 | 64% | 0.636 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -63.1 | -37.4 | 173.5 | -24.1 | 34.7 | 0 | 0 | 0 | 113.5 | E577 R583 | E577-P579 VanDerWaalsContact C-CD 3.46Å; E577-P579 VanDerWaalsContact C-N 3.35Å; P579-R583 WeakPolarHBondContact O-CB 3.39Å; P579-R583 PolarHBondContact O-N 2.94Å |
| 580 | L | 84.1 | Confident | 81.7 | Confident | 15 Ų | 15 | 49 Ų | 49 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.6 | -35.9 | 176.5 | -73.7 | 171.7 | 0 | 0 | 0 | 111.5 | L546 V550 L570 E577 G578 R583 L584 | L546-L580 HydrophobicContact CB-CD1 4.18Å; V550-L580 HydrophobicContact CG2-CD2 4.48Å; L570-L580 HydrophobicContact CD1-CB 4.3Å; L570-L580 HydrophobicContact CD2-CB 4.13Å; L570-L580 HydrophobicContact CD2-CD1 4.45Å; E577-L580 WeakPolarHBondContact O-CA 3.27Å; E577-L580 WeakPolarHBondContact O-CB 3.39Å; E577-L580 PolarHBondContact O-N 3.09Å; G578-L580 PolarHBondContact O-N 3.15Å; L580-R583 PolarHBondContact O-N 3.33Å; L580-L584 WeakPolarHBondContact O-CB 3.29Å; L580-L584 PolarHBondContact O-N 3.49Å |
| 581 | Q | 86.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 172.6 | -63.5 | 177.7 | 1.2 | 0 | 0 | 111.5 | L570 D573 E577 G578 L584 L585 F605 | L570-Q581 HydrophobicContact CD1-CG 4.16Å; D573-Q581 PolarHBondContact OD1-NE2 3.13Å; E577-Q581 PolarHBondContact O-N 3.36Å; G578-Q581 PolarHBondContact O-N 3.4Å; Q581-L584 PolarHBondContact O-N 2.95Å; Q581-L585 WeakPolarHBondContact O-CG 3.5Å; Q581-L585 PolarHBondContact O-N 3.47Å; Q581-L585 VanDerWaalsContact O-N 3.11Å; Q581-F605 HydrophobicContact CB-CB 4.49Å; Q581-F605 HydrophobicContact CG-CB 4.26Å; Q581-F605 HydrophobicContact CG-CD1 4.1Å; Q581-F605 HydrophobicContact CG-CG 4.2Å |
| 582 | T | 86.9 | Confident | 81.5 | Confident | 24 Ų | 24 | 49.8 Ų | 49.8 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 176.2 | -52.8 | 0 | 0 | 0 | 0 | 110.6 | G578 L584 L585 E586 Y608 D609 | G578-T582 PolarHBondContact O-N 3.33Å; G578-T582 PolarHBondContact O-OG1 2.89Å; T582-L584 PolarHBondContact O-N 3.39Å; T582-L585 PolarHBondContact O-N 3.21Å; T582-E586 WeakPolarHBondContact O-CB 3.24Å; T582-E586 PolarHBondContact O-N 2.92Å; T582-Y608 WeakPolarHBondContact OG1-CA 3.49Å; T582-Y608 WeakPolarHBondContact OG1-CB 3.46Å; T582-D609 HydrophobicContact CG2-CB 4.17Å; T582-D609 PolarHBondContact OG1-N 2.75Å |
| 583 | R | 83.9 | Confident | 81.6 | Confident | 82 Ų | 82 | 48.1 Ų | 48.1 | 31% | 0.309 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 178.4 | -166.8 | 170.6 | -178.9 | -167.2 | -4.5 | 112.3 | D551 P579 L580 I587 | D551-R583 IonicContact OD1-CZ 2.91Å; D551-R583 IonicContact OD1-NH1 2.78Å; D551-R583 PolarHBondContact OD1-NH1 3.33Å; D551-R583 IonicContact OD1-NH2 3.49Å; D551-R583 PolarHBondContact OD1-NH2 3.36Å; P579-R583 WeakPolarHBondContact O-CB 3.39Å; P579-R583 PolarHBondContact O-N 2.94Å; L580-R583 PolarHBondContact O-N 3.33Å; R583-I587 HydrophobicContact CG-CD1 3.79Å; R583-I587 HydrophobicContact CG-CG1 4.42Å; R583-I587 WeakPolarHBondContact O-CB 3.17Å; R583-I587 WeakPolarHBondContact O-CD1 3.26Å; R583-I587 WeakPolarHBondContact O-CG1 3.21Å; R583-I587 PolarHBondContact O-N 3.35Å |
| 584 | L | 85.9 | Confident | 81.6 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.8 | -49.1 | 174.5 | 174.9 | 65.7 | 0 | 0 | 0 | 111.5 | T563 L566 L567 L570 L580 Q581 T582 N588 F605 | T563-L584 HydrophobicContact CG2-CD1 4.14Å; L566-L584 HydrophobicContact CB-CD1 3.77Å; L566-L584 HydrophobicContact CB-CD2 4.26Å; L566-L584 HydrophobicContact CD1-CB 4.23Å; L566-L584 HydrophobicContact CD1-CD1 3.75Å; L566-L584 HydrophobicContact CG-CD1 4.41Å; L567-L584 HydrophobicContact CD2-CD2 4.25Å; L570-L584 HydrophobicContact CD1-CD2 4.22Å; L580-L584 WeakPolarHBondContact O-CB 3.29Å; L580-L584 PolarHBondContact O-N 3.49Å; Q581-L584 PolarHBondContact O-N 2.95Å; T582-L584 PolarHBondContact O-N 3.39Å; L584-N588 WeakPolarHBondContact CD1-ND2 3.39Å; L584-N588 PolarHBondContact O-N 3Å; L584-N588 PolarHBondContact O-ND2 3.34Å; L584-F605 HydrophobicContact CD2-CD2 4.34Å; L584-F605 HydrophobicContact CD2-CE2 3.49Å; L584-F605 VanDerWaalsContact CD2-CE2 3.49Å; L584-F605 HydrophobicContact CD2-CZ 3.92Å |
| 585 | L | 84.8 | Confident | 81.6 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68 | -43 | -179.1 | -69.4 | 173.1 | 0 | 0 | 0 | 111.5 | Q581 T582 N588 L589 I599 L600 Y608 I613 | Q581-L585 WeakPolarHBondContact O-CG 3.5Å; Q581-L585 PolarHBondContact O-N 3.47Å; Q581-L585 VanDerWaalsContact O-N 3.11Å; T582-L585 PolarHBondContact O-N 3.21Å; L585-N588 PolarHBondContact O-N 3.05Å; L585-L589 WeakPolarHBondContact O-CB 3.27Å; L585-L589 VanDerWaalsContact O-CG 3.3Å; L585-L589 WeakPolarHBondContact O-CG 3.44Å; L585-L589 PolarHBondContact O-N 3.01Å; L585-I599 HydrophobicContact CD2-CB 4.32Å; L585-I599 HydrophobicContact CD2-CG2 3.83Å; L585-L600 HydrophobicContact CD1-CD2 3.98Å; L585-L600 HydrophobicContact CD2-CD2 3.95Å; L585-L600 HydrophobicContact CD2-CG 4.04Å; L585-Y608 HydrophobicContact CD1-CD1 3.53Å; L585-Y608 HydrophobicContact CD1-CD2 3.64Å; L585-Y608 HydrophobicContact CD1-CE1 3.75Å; L585-Y608 HydrophobicContact CD1-CE2 3.86Å; L585-Y608 HydrophobicContact CD1-CG 3.47Å; L585-Y608 VanDerWaalsContact CD1-CG 3.47Å; L585-I613 HydrophobicContact CB-CD1 3.62Å; L585-I613 HydrophobicContact CB-CG1 4.33Å; L585-I613 HydrophobicContact CD1-CD1 4.4Å; L585-I613 HydrophobicContact CD1-CG1 4.21Å |
| 586 | E | 85.2 | Confident | 81.9 | Confident | 73 Ų | 73 | 44.9 Ų | 44.9 | 34% | 0.341 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.1 | -50.4 | 177.7 | -174.9 | -174 | 177.7 | 0 | 0 | 111.7 | T582 N588 L589 L590 L616 | T582-E586 WeakPolarHBondContact O-CB 3.24Å; T582-E586 PolarHBondContact O-N 2.92Å; E586-N588 VanDerWaalsContact C-N 3.29Å; E586-N588 PolarHBondContact O-N 3.29Å; E586-L589 PolarHBondContact O-N 3.45Å; E586-L590 HydrophobicContact CG-CD1 4Å; E586-L590 WeakPolarHBondContact O-CG 3.34Å; E586-L590 PolarHBondContact O-N 2.99Å; E586-L616 HydrophobicContact CG-CD1 4.28Å |
| 587 | I | 83.5 | Confident | 82 | Confident | 31 Ų | 31 | 42.4 Ų | 42.4 | 16% | 0.159 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.8 | -45.1 | 179.5 | -70.9 | 165.3 | 0 | 0 | 0 | 110.3 | L554 V559 R583 T591 | L554-I587 HydrophobicContact CD1-CD1 4.13Å; L554-I587 HydrophobicContact CD2-CD1 4.16Å; V559-I587 HydrophobicContact CG1-CG2 3.56Å; V559-I587 HydrophobicContact CG2-CG2 4.46Å; R583-I587 HydrophobicContact CG-CD1 3.79Å; R583-I587 HydrophobicContact CG-CG1 4.42Å; R583-I587 WeakPolarHBondContact O-CB 3.17Å; R583-I587 WeakPolarHBondContact O-CD1 3.26Å; R583-I587 WeakPolarHBondContact O-CG1 3.21Å; R583-I587 PolarHBondContact O-N 3.35Å; I587-T591 WeakPolarHBondContact O-CB 3.34Å; I587-T591 PolarHBondContact O-N 3.34Å; I587-T591 VanDerWaalsContact O-N 3.12Å; I587-T591 PolarHBondContact O-OG1 3.47Å |
| 588 | N | 83.7 | Confident | 81.8 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71.4 | -37.2 | 179.6 | -73.8 | -73.5 | 0 | 0 | 0 | 111.9 | T563 L584 L585 E586 L590 T591 N592 A593 A596 | T563-N588 PolarHBondContact OG1-ND2 3.05Å; T563-N588 VanDerWaalsContact OG1-ND2 3.08Å; T563-N588 PolarHBondContact OG1-OD1 3.09Å; L584-N588 WeakPolarHBondContact CD1-ND2 3.39Å; L584-N588 PolarHBondContact O-N 3Å; L584-N588 PolarHBondContact O-ND2 3.34Å; L585-N588 PolarHBondContact O-N 3.05Å; E586-N588 VanDerWaalsContact C-N 3.29Å; E586-N588 PolarHBondContact O-N 3.29Å; N588-L590 VanDerWaalsContact C-N 3.31Å; N588-L590 PolarHBondContact O-N 3.47Å; N588-T591 PolarHBondContact O-N 3.29Å; N588-N592 CarbonylContact O-C 3.4Å; N588-N592 WeakPolarHBondContact O-CA 3.48Å; N588-N592 PolarHBondContact O-N 3.1Å; N588-A593 PolarHBondContact O-N 3.49Å; N588-A596 HydrophobicContact CB-CB 3.93Å |
| 589 | L | 81.3 | Confident | 81.7 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.6 | -34.9 | 176.1 | -76.9 | 167 | 0 | 0 | 0 | 112.6 | L585 E586 A596 I613 L616 N620 L622 | L585-L589 WeakPolarHBondContact O-CB 3.27Å; L585-L589 VanDerWaalsContact O-CG 3.3Å; L585-L589 WeakPolarHBondContact O-CG 3.44Å; L585-L589 PolarHBondContact O-N 3.01Å; E586-L589 PolarHBondContact O-N 3.45Å; L589-A596 HydrophobicContact CB-CB 4.49Å; L589-A596 HydrophobicContact CD2-CB 3.57Å; L589-A596 HydrophobicContact CG-CB 3.59Å; L589-I613 HydrophobicContact CD1-CD1 3.9Å; L589-I613 HydrophobicContact CD1-CG2 4.07Å; L589-L616 HydrophobicContact CD1-CB 3.83Å; L589-L616 HydrophobicContact CD1-CD1 4.3Å; L589-N620 PolarHBondContact O-ND2 3.29Å; L589-L622 HydrophobicContact CD2-CD1 3.93Å |
| 590 | L | 80.7 | Confident | 81.5 | Confident | 116 Ų | 116 | 40.1 Ų | 40.1 | 61% | 0.607 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -78.4 | -28.3 | 178.6 | -68.5 | 173.6 | 0 | 0 | 0 | 113.7 | E586 N588 | E586-L590 HydrophobicContact CG-CD1 4Å; E586-L590 WeakPolarHBondContact O-CG 3.34Å; E586-L590 PolarHBondContact O-N 2.99Å; N588-L590 VanDerWaalsContact C-N 3.31Å; N588-L590 PolarHBondContact O-N 3.47Å |
| 591 | T | 79 | Confident | 81.2 | Confident | 88 Ų | 88 | 40.8 Ų | 40.8 | 54% | 0.54 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -105.3 | -42.6 | -175.9 | 52.3 | 0 | 0 | 0 | 0 | 113.8 | I587 N588 | I587-T591 WeakPolarHBondContact O-CB 3.34Å; I587-T591 PolarHBondContact O-N 3.34Å; I587-T591 VanDerWaalsContact O-N 3.12Å; I587-T591 PolarHBondContact O-OG1 3.47Å; N588-T591 PolarHBondContact O-N 3.29Å |
| 592 | N | 78.2 | Confident | 80.9 | Confident | 66 Ų | 66 | 46.3 Ų | 46.3 | 35% | 0.353 | 26% | 0.255 | S | S | . | . | trans | -152.1 | 88.7 | 179.1 | -170.2 | -12.1 | 0 | 0 | 0 | 111.9 | N588 Q594 I595 | N588-N592 CarbonylContact O-C 3.4Å; N588-N592 WeakPolarHBondContact O-CA 3.48Å; N588-N592 PolarHBondContact O-N 3.1Å; N592-Q594 PolarHBondContact O-N 3.37Å; N592-Q594 PolarHBondContact OD1-N 3.03Å; N592-I595 HydrophobicContact CB-CD1 4.08Å; N592-I595 HydrophobicContact CB-CG1 4.31Å; N592-I595 PolarHBondContact O-N 3.34Å | ||
| 593 | A | 78.1 | Confident | 80.3 | Confident | 24 Ų | 24 | 50.6 Ų | 50.6 | 20% | 0.198 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.5 | -25.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N588 I595 A596 D597 N620 L622 | N588-A593 PolarHBondContact O-N 3.49Å; A593-I595 PolarHBondContact O-N 3.23Å; A593-A596 PolarHBondContact O-N 3.26Å; A593-D597 PolarHBondContact O-N 3.14Å; A593-N620 HydrophobicContact CB-CB 4.22Å; A593-L622 HydrophobicContact CB-CD1 4.24Å |
| 594 | Q | 77.9 | Confident | 79.9 | Confident | 146 Ų | 146 | 49.8 Ų | 49.8 | 68% | 0.682 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -67.5 | -34.9 | 177.9 | -64.9 | -175.5 | -30.9 | 0 | 0 | 112.6 | N592 A598 | N592-Q594 PolarHBondContact O-N 3.37Å; N592-Q594 PolarHBondContact OD1-N 3.03Å; Q594-A598 PolarHBondContact O-N 3.34Å; Q594-A598 VanDerWaalsContact O-N 3.1Å |
| 595 | I | 78.3 | Confident | 79.7 | Confident | 49 Ų | 49 | 50.2 Ų | 50.2 | 25% | 0.251 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.2 | -42 | 176.8 | -61.4 | 176.2 | 0 | 0 | 0 | 109.2 | T563 N592 A593 D597 A598 I599 | T563-I595 HydrophobicContact CG2-CG2 4.06Å; N592-I595 HydrophobicContact CB-CD1 4.08Å; N592-I595 HydrophobicContact CB-CG1 4.31Å; N592-I595 PolarHBondContact O-N 3.34Å; A593-I595 PolarHBondContact O-N 3.23Å; I595-D597 PolarHBondContact O-N 3.34Å; I595-A598 PolarHBondContact O-N 3.44Å; I595-I599 HydrophobicContact CG2-CD1 3.98Å; I595-I599 VanDerWaalsContact O-CG1 3.28Å; I595-I599 WeakPolarHBondContact O-CG1 3.14Å; I595-I599 PolarHBondContact O-N 3.43Å |
| 596 | A | 80.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N588 L589 A593 A598 I599 L600 | N588-A596 HydrophobicContact CB-CB 3.93Å; L589-A596 HydrophobicContact CB-CB 4.49Å; L589-A596 HydrophobicContact CD2-CB 3.57Å; L589-A596 HydrophobicContact CG-CB 3.59Å; A593-A596 PolarHBondContact O-N 3.26Å; A596-A598 PolarHBondContact O-N 3.15Å; A596-I599 PolarHBondContact O-N 3.5Å; A596-L600 WeakPolarHBondContact O-CB 3.38Å; A596-L600 WeakPolarHBondContact O-CG 3.47Å; A596-L600 PolarHBondContact O-N 3.07Å |
| 597 | D | 77.9 | Confident | 79.5 | Confident | 50 Ų | 50 | 55.3 Ų | 55.3 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 175.1 | -178.2 | 39.3 | 0 | 0 | 0 | 112.1 | A593 I595 I599 L600 G601 L622 R625 | A593-D597 PolarHBondContact O-N 3.14Å; I595-D597 PolarHBondContact O-N 3.34Å; D597-I599 PolarHBondContact O-N 3.32Å; D597-L600 PolarHBondContact O-N 2.99Å; D597-G601 PolarHBondContact O-N 3.34Å; D597-L622 HydrophobicContact CB-CD1 4.15Å; D597-L622 HydrophobicContact CB-CD2 4.12Å; D597-R625 WeakPolarHBondContact OD1-CG 3.45Å; D597-R625 IonicContact OD1-CZ 2.71Å; D597-R625 IonicContact OD1-NE 3.81Å; D597-R625 PolarHBondContact OD1-NE 3.03Å; D597-R625 IonicContact OD1-NH2 3.48Å |
| 598 | A | 77.4 | Confident | 79.6 | Confident | 55 Ų | 55 | 55.1 Ų | 55.1 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q594 I595 A596 N602 | Q594-A598 PolarHBondContact O-N 3.34Å; Q594-A598 VanDerWaalsContact O-N 3.1Å; I595-A598 PolarHBondContact O-N 3.44Å; A596-A598 PolarHBondContact O-N 3.15Å; A598-N602 PolarHBondContact O-N 3.49Å; A598-N602 PolarHBondContact O-ND2 3.38Å |
| 599 | I | 78.1 | Confident | 79.7 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 5% | 0.046 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.6 | -46.8 | 176.8 | -66.2 | 168.7 | 0 | 0 | 0 | 110.5 | T563 L567 L585 I595 A596 D597 N602 F605 | T563-I599 HydrophobicContact CG2-CD1 4.17Å; L567-I599 HydrophobicContact CD2-CD1 4.08Å; L567-I599 HydrophobicContact CD2-CG1 4.03Å; L567-I599 HydrophobicContact CD2-CG2 4.4Å; L585-I599 HydrophobicContact CD2-CB 4.32Å; L585-I599 HydrophobicContact CD2-CG2 3.83Å; I595-I599 HydrophobicContact CG2-CD1 3.98Å; I595-I599 VanDerWaalsContact O-CG1 3.28Å; I595-I599 WeakPolarHBondContact O-CG1 3.14Å; I595-I599 PolarHBondContact O-N 3.43Å; A596-I599 PolarHBondContact O-N 3.5Å; D597-I599 PolarHBondContact O-N 3.32Å; I599-N602 PolarHBondContact O-N 2.82Å; I599-F605 HydrophobicContact CG2-CD2 3.83Å; I599-F605 HydrophobicContact CG2-CE2 3.7Å |
| 600 | L | 80.1 | Confident | 79.7 | Confident | 9 Ų | 9 | 66 Ų | 66 | 5% | 0.047 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 177.7 | -71 | 171.4 | 0 | 0 | 0 | 111.2 | L585 A596 D597 N602 N603 Y608 I613 R625 | L585-L600 HydrophobicContact CD1-CD2 3.98Å; L585-L600 HydrophobicContact CD2-CD2 3.95Å; L585-L600 HydrophobicContact CD2-CG 4.04Å; A596-L600 WeakPolarHBondContact O-CB 3.38Å; A596-L600 WeakPolarHBondContact O-CG 3.47Å; A596-L600 PolarHBondContact O-N 3.07Å; D597-L600 PolarHBondContact O-N 2.99Å; L600-N602 VanDerWaalsContact C-N 3.26Å; L600-N602 PolarHBondContact O-N 3.49Å; L600-N603 PolarHBondContact O-N 2.93Å; L600-N603 VanDerWaalsContact O-N 3.12Å; L600-N603 PolarHBondContact O-OD1 2.82Å; L600-Y608 HydrophobicContact CD2-CE1 4.35Å; L600-Y608 HydrophobicContact CD2-CE2 4.34Å; L600-Y608 VanDerWaalsContact CD2-OH 3.29Å; L600-Y608 WeakPolarHBondContact CD2-OH 3.45Å; L600-I613 HydrophobicContact CD1-CG2 4.21Å; L600-I613 HydrophobicContact CD2-CG2 4.41Å; L600-R625 HydrophobicContact CD1-CB 4.35Å; L600-R625 HydrophobicContact CD1-CG 4.37Å |
| 601 | G | 77.9 | Confident | 79.7 | Confident | 30 Ų | 30 | 62.3 Ų | 62.3 | 31% | 0.309 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.6 | -25.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | D597 N603 | D597-G601 PolarHBondContact O-N 3.34Å; G601-N603 VanDerWaalsContact C-N 3.33Å |
| 602 | N | 78.7 | Confident | 79.8 | Confident | 116 Ų | 116 | 61.4 Ų | 61.4 | 62% | 0.62 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -3.9 | 176.2 | -74.2 | -21.7 | 0 | 0 | 0 | 113.7 | A598 I599 L600 M604 | A598-N602 PolarHBondContact O-N 3.49Å; A598-N602 PolarHBondContact O-ND2 3.38Å; I599-N602 PolarHBondContact O-N 2.82Å; L600-N602 VanDerWaalsContact C-N 3.26Å; L600-N602 PolarHBondContact O-N 3.49Å; N602-M604 VanDerWaalsContact C-N 3.28Å; N602-M604 HydrophobicContact CB-CG 3.82Å; N602-M604 HydrophobicContact CB-SD 4.22Å; N602-M604 PolarHBondContact O-N 3.46Å |
| 603 | N | 76.1 | Confident | 80.2 | Confident | 113 Ų | 113 | 58.3 Ų | 58.3 | 60% | 0.604 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 42.5 | -178.6 | -68.1 | -31.3 | 0 | 0 | 0 | 113.9 | L600 G601 H606 | L600-N603 PolarHBondContact O-N 2.93Å; L600-N603 VanDerWaalsContact O-N 3.12Å; L600-N603 PolarHBondContact O-OD1 2.82Å; G601-N603 VanDerWaalsContact C-N 3.33Å; N603-H606 PolarHBondContact O-CE1 2.79Å |
| 604 | M | 74.9 | Confident | 80.3 | Confident | 66 Ų | 66 | 57.1 Ų | 57.1 | 33% | 0.325 | 30% | 0.302 | S | S | . | . | trans | -77.9 | -22.9 | -175.4 | -67.7 | -179.5 | 64.1 | 0 | 0 | 114.6 | L567 N602 | L567-M604 HydrophobicContact CD2-CE 3.92Å; L567-M604 HydrophobicContact CD2-SD 4.11Å; N602-M604 VanDerWaalsContact C-N 3.28Å; N602-M604 HydrophobicContact CB-CG 3.82Å; N602-M604 HydrophobicContact CB-SD 4.22Å; N602-M604 PolarHBondContact O-N 3.46Å | ||
| 605 | F | 82.5 | Confident | 80.5 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 4% | 0.044 | 29% | 0.293 | C | S | . | . | trans | -134.9 | 141.7 | -170.7 | -55.2 | -55 | 0 | 0 | 0 | 110.7 | L567 L570 D573 Q581 L584 I599 Y608 | L567-F605 HydrophobicContact CD2-CE2 3.9Å; L567-F605 HydrophobicContact CD2-CZ 3.94Å; L570-F605 HydrophobicContact CB-CD1 4.34Å; L570-F605 HydrophobicContact CB-CE1 3.49Å; L570-F605 VanDerWaalsContact CB-CE1 3.49Å; L570-F605 HydrophobicContact CB-CZ 3.98Å; L570-F605 WeakPolarHBondContact O-CE1 3.4Å; D573-F605 WeakPolarHBondContact OD1-CA 3.2Å; Q581-F605 HydrophobicContact CB-CB 4.49Å; Q581-F605 HydrophobicContact CG-CB 4.26Å; Q581-F605 HydrophobicContact CG-CD1 4.1Å; Q581-F605 HydrophobicContact CG-CG 4.2Å; L584-F605 HydrophobicContact CD2-CD2 4.34Å; L584-F605 HydrophobicContact CD2-CE2 3.49Å; L584-F605 VanDerWaalsContact CD2-CE2 3.49Å; L584-F605 HydrophobicContact CD2-CZ 3.92Å; I599-F605 HydrophobicContact CG2-CD2 3.83Å; I599-F605 HydrophobicContact CG2-CE2 3.7Å; F605-Y608 HydrophobicContact CB-CD1 4.07Å; F605-Y608 HydrophobicContact CB-CE1 4.3Å; F605-Y608 VanDerWaalsContact O-CE1 3.26Å; F605-Y608 WeakPolarHBondContact O-CE1 3.47Å | ||
| 606 | H | 81.6 | Confident | 80.6 | Confident | 96 Ų | 96 | 53.9 Ų | 53.9 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | trans | -125.1 | -11.5 | -176.3 | -62.8 | 83.9 | 0 | 0 | 0 | 115.1 | D573 N603 | D573-H606 PolarHBondContact OD1-N 3.16Å; D573-H606 VanDerWaalsContact OD1-N 3.09Å; D573-H606 IonicContact OD2-CE1 2.85Å; D573-H606 IonicContact OD2-CG 3.82Å; D573-H606 PolarHBondContact OD2-N 2.74Å; D573-H606 IonicContact OD2-ND1 3.57Å; D573-H606 PolarHBondContact OD2-ND1 2.97Å; N603-H606 PolarHBondContact O-CE1 2.79Å | ||
| 607 | H | 82.9 | Confident | 80.6 | Confident | 86 Ų | 86 | 53.9 Ų | 53.9 | 40% | 0.398 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -106.6 | 13.2 | -168.8 | -60.2 | -62.7 | 0 | 0 | 0 | 114.8 | D573 G578 | D573-H607 PolarHBondContact O-CD2 3.09Å; D573-H607 VanDerWaalsContact O-CD2 3.31Å; D573-H607 PolarHBondContact O-NE2 3.07Å; D573-H607 IonicContact OD1-CD2 3.05Å; G578-H607 WeakPolarHBondContact CA-O 3.3Å |
| 608 | Y | 86 | Confident | 80.6 | Confident | 27 Ų | 27 | 54.2 Ų | 54.2 | 11% | 0.106 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -83 | 163.6 | 175.1 | 62.9 | -94 | 0 | 0 | 0 | 113.1 | T582 L585 L600 F605 R610 I613 H629 | T582-Y608 WeakPolarHBondContact OG1-CA 3.49Å; T582-Y608 WeakPolarHBondContact OG1-CB 3.46Å; L585-Y608 HydrophobicContact CD1-CD1 3.53Å; L585-Y608 HydrophobicContact CD1-CD2 3.64Å; L585-Y608 HydrophobicContact CD1-CE1 3.75Å; L585-Y608 HydrophobicContact CD1-CE2 3.86Å; L585-Y608 HydrophobicContact CD1-CG 3.47Å; L585-Y608 VanDerWaalsContact CD1-CG 3.47Å; L600-Y608 HydrophobicContact CD2-CE1 4.35Å; L600-Y608 HydrophobicContact CD2-CE2 4.34Å; L600-Y608 VanDerWaalsContact CD2-OH 3.29Å; L600-Y608 WeakPolarHBondContact CD2-OH 3.45Å; F605-Y608 HydrophobicContact CB-CD1 4.07Å; F605-Y608 HydrophobicContact CB-CE1 4.3Å; F605-Y608 VanDerWaalsContact O-CE1 3.26Å; F605-Y608 WeakPolarHBondContact O-CE1 3.47Å; Y608-R610 HydrophobicContact CD2-CG 4.46Å; Y608-R610 HydrophobicContact CE2-CG 4.08Å; Y608-R610 PolarHBondContact O-N 3.02Å; Y608-I613 HydrophobicContact CD2-CB 4.2Å; Y608-I613 HydrophobicContact CD2-CG1 3.71Å; Y608-I613 HydrophobicContact CE2-CB 4.11Å; Y608-I613 HydrophobicContact CE2-CG1 4.1Å; Y608-I613 HydrophobicContact CE2-CG2 4.13Å; Y608-H629 AromaticContact CE2-CD2 4Å; Y608-H629 AromaticContact CE2-NE2 3.67Å; Y608-H629 AromaticContact CZ-NE2 3.66Å; Y608-H629 PolarHBondContact OH-CE1 3.29Å; Y608-H629 PolarHBondContact OH-NE2 3.43Å |
| 609 | D | 84.7 | Confident | 80.6 | Confident | 91 Ų | 91 | 59.7 Ų | 59.7 | 49% | 0.487 | 30% | 0.3 | S | S | . | . | trans | -69.6 | 97.1 | 175.7 | -173.8 | -20.2 | 0 | 0 | 0 | 111.7 | T582 G611 H612 I613 | T582-D609 HydrophobicContact CG2-CB 4.17Å; T582-D609 PolarHBondContact OG1-N 2.75Å; D609-G611 PolarHBondContact O-N 3.38Å; D609-G611 PolarHBondContact OD1-N 3.35Å; D609-H612 HydrophobicContact CB-CB 4.17Å; D609-H612 PolarHBondContact OD1-N 3.28Å; D609-H612 VanDerWaalsContact OD1-N 3.15Å; D609-I613 VanDerWaalsContact O-CG1 3.3Å; D609-I613 WeakPolarHBondContact O-CG1 3.47Å; D609-I613 PolarHBondContact O-N 3.09Å; D609-I613 VanDerWaalsContact O-N 3.15Å | ||
| 610 | R | 82.2 | Confident | 80.5 | Confident | 138 Ų | 138 | 62.7 Ų | 62.7 | 52% | 0.521 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | -176.6 | -64.8 | -174 | -176.8 | -173.3 | 0.2 | 113.4 | Y608 I613 A614 | Y608-R610 HydrophobicContact CD2-CG 4.46Å; Y608-R610 HydrophobicContact CE2-CG 4.08Å; Y608-R610 PolarHBondContact O-N 3.02Å; R610-I613 PolarHBondContact O-N 2.84Å; R610-A614 WeakPolarHBondContact O-CB 3.44Å; R610-A614 PolarHBondContact O-N 3.5Å |
| 611 | G | 79.9 | Confident | 80.2 | Confident | 40 Ų | 40 | 64.1 Ų | 64.1 | 41% | 0.412 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.8 | -42.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D609 A614 Q615 | D609-G611 PolarHBondContact O-N 3.38Å; D609-G611 PolarHBondContact OD1-N 3.35Å; G611-A614 PolarHBondContact O-N 2.94Å; G611-Q615 WeakPolarHBondContact O-CG 3.49Å; G611-Q615 PolarHBondContact O-N 3.42Å |
| 612 | H | 82.9 | Confident | 80.1 | Confident | 69 Ų | 69 | 63.8 Ų | 63.8 | 32% | 0.319 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 175.8 | -173.6 | 59 | 0 | 0 | 0 | 112.2 | D609 Q615 L616 | D609-H612 HydrophobicContact CB-CB 4.17Å; D609-H612 PolarHBondContact OD1-N 3.28Å; D609-H612 VanDerWaalsContact OD1-N 3.15Å; H612-Q615 PolarHBondContact O-N 3.21Å; H612-L616 PolarHBondContact O-N 3.02Å |
| 613 | I | 86.2 | Confident | 80 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 177.9 | -65.5 | -57 | 0 | 0 | 0 | 111.7 | L585 L589 L600 Y608 D609 R610 Q615 L616 C617 | L585-I613 HydrophobicContact CB-CD1 3.62Å; L585-I613 HydrophobicContact CB-CG1 4.33Å; L585-I613 HydrophobicContact CD1-CD1 4.4Å; L585-I613 HydrophobicContact CD1-CG1 4.21Å; L589-I613 HydrophobicContact CD1-CD1 3.9Å; L589-I613 HydrophobicContact CD1-CG2 4.07Å; L600-I613 HydrophobicContact CD1-CG2 4.21Å; L600-I613 HydrophobicContact CD2-CG2 4.41Å; Y608-I613 HydrophobicContact CD2-CB 4.2Å; Y608-I613 HydrophobicContact CD2-CG1 3.71Å; Y608-I613 HydrophobicContact CE2-CB 4.11Å; Y608-I613 HydrophobicContact CE2-CG1 4.1Å; Y608-I613 HydrophobicContact CE2-CG2 4.13Å; D609-I613 VanDerWaalsContact O-CG1 3.3Å; D609-I613 WeakPolarHBondContact O-CG1 3.47Å; D609-I613 PolarHBondContact O-N 3.09Å; D609-I613 VanDerWaalsContact O-N 3.15Å; R610-I613 PolarHBondContact O-N 2.84Å; I613-Q615 PolarHBondContact O-N 2.99Å; I613-L616 HydrophobicContact CD1-CD1 4.44Å; I613-L616 PolarHBondContact O-N 3.41Å; I613-C617 PolarHBondContact O-N 3.3Å; I613-C617 PolarHBondContact O-SG 2.97Å; I613-C617 VanDerWaalsContact O-SG 3.35Å |
| 614 | A | 80.6 | Confident | 80 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.8 | -45.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R610 G611 L616 C617 E618 H629 Y630 | R610-A614 WeakPolarHBondContact O-CB 3.44Å; R610-A614 PolarHBondContact O-N 3.5Å; G611-A614 PolarHBondContact O-N 2.94Å; A614-L616 VanDerWaalsContact C-N 3.34Å; A614-L616 PolarHBondContact O-N 3.06Å; A614-C617 WeakPolarHBondContact O-CB 3.29Å; A614-C617 PolarHBondContact O-N 2.95Å; A614-E618 PolarHBondContact O-N 3.32Å; A614-H629 HydrophobicContact CB-CB 3.6Å; A614-Y630 HydrophobicContact CB-CD1 3.99Å; A614-Y630 HydrophobicContact CB-CE1 3.66Å |
| 615 | Q | 81.2 | Confident | 80.3 | Confident | 106 Ų | 106 | 54 Ų | 54 | 50% | 0.495 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 177.5 | -69.5 | 179.1 | 1.1 | 0 | 0 | 112.4 | G611 H612 I613 K619 | G611-Q615 WeakPolarHBondContact O-CG 3.49Å; G611-Q615 PolarHBondContact O-N 3.42Å; H612-Q615 PolarHBondContact O-N 3.21Å; I613-Q615 PolarHBondContact O-N 2.99Å; Q615-K619 WeakPolarHBondContact O-CB 3.05Å; Q615-K619 WeakPolarHBondContact O-CG 3.3Å; Q615-K619 PolarHBondContact O-N 3.47Å |
| 616 | L | 81.2 | Confident | 80 | Confident | 21 Ų | 21 | 53.5 Ų | 53.5 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.9 | -36.8 | 174.8 | -72.8 | 175.6 | 0 | 0 | 0 | 111.7 | E586 L589 H612 I613 A614 N620 | E586-L616 HydrophobicContact CG-CD1 4.28Å; L589-L616 HydrophobicContact CD1-CB 3.83Å; L589-L616 HydrophobicContact CD1-CD1 4.3Å; H612-L616 PolarHBondContact O-N 3.02Å; I613-L616 HydrophobicContact CD1-CD1 4.44Å; I613-L616 PolarHBondContact O-N 3.41Å; A614-L616 VanDerWaalsContact C-N 3.34Å; A614-L616 PolarHBondContact O-N 3.06Å; L616-N620 WeakPolarHBondContact O-CB 3.47Å; L616-N620 PolarHBondContact O-N 3.22Å; L616-N620 PolarHBondContact O-ND2 3.02Å |
| 617 | C | 80.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.1 | -47.5 | 172.5 | -73.7 | 0 | 0 | 0 | 0 | 111.1 | I613 A614 K619 N620 G621 L622 R625 A626 | I613-C617 PolarHBondContact O-N 3.3Å; I613-C617 PolarHBondContact O-SG 2.97Å; I613-C617 VanDerWaalsContact O-SG 3.35Å; A614-C617 WeakPolarHBondContact O-CB 3.29Å; A614-C617 PolarHBondContact O-N 2.95Å; C617-K619 PolarHBondContact O-N 3.05Å; C617-N620 CarbonylContact O-C 3.59Å; C617-N620 PolarHBondContact O-N 3.03Å; C617-G621 PolarHBondContact O-N 3.09Å; C617-G621 VanDerWaalsContact O-N 3.12Å; C617-L622 HydrophobicContact CB-CB 4.01Å; C617-L622 PolarHBondContact O-N 3.45Å; C617-R625 HydrophobicContact CB-CB 4.18Å; C617-A626 HydrophobicContact CB-CB 4.22Å |
| 618 | E | 76.2 | Confident | 79.7 | Confident | 57 Ų | 57 | 48.5 Ų | 48.5 | 27% | 0.266 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.7 | -45.3 | 177.1 | -172.2 | 178 | -175.1 | 0 | 0 | 111.6 | A614 N620 G621 L623 A626 Y630 R638 | A614-E618 PolarHBondContact O-N 3.32Å; E618-N620 VanDerWaalsContact C-N 3.29Å; E618-N620 PolarHBondContact O-N 3.05Å; E618-G621 PolarHBondContact O-N 3.11Å; E618-G621 VanDerWaalsContact O-N 3.08Å; E618-L623 HydrophobicContact CG-CD2 4.12Å; E618-A626 HydrophobicContact CB-CB 4.05Å; E618-Y630 PolarHBondContact OE2-OH 2.85Å; E618-R638 IonicContact OE1-CZ 2.71Å; E618-R638 IonicContact OE1-NE 3.67Å; E618-R638 IonicContact OE1-NH2 3.07Å; E618-R638 PolarHBondContact OE1-NH2 2.9Å; E618-R638 IonicContact OE2-NH2 3.91Å; E618-R638 PolarHBondContact OE2-NH2 3.32Å |
| 619 | K | 77.2 | Confident | 79.3 | Confident | 169 Ų | 169 | 48.5 Ų | 48.5 | 74% | 0.735 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62.5 | -33.1 | 177.6 | -77.4 | 178.9 | -178.8 | 175.4 | 0 | 113.7 | Q615 C617 G621 | Q615-K619 WeakPolarHBondContact O-CB 3.05Å; Q615-K619 WeakPolarHBondContact O-CG 3.3Å; Q615-K619 PolarHBondContact O-N 3.47Å; C617-K619 PolarHBondContact O-N 3.05Å; K619-G621 VanDerWaalsContact C-N 3.31Å |
| 620 | N | 77.1 | Confident | 79.1 | Confident | 72 Ų | 72 | 45.5 Ų | 45.5 | 39% | 0.385 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 4.2 | 177.5 | -72.7 | -63.6 | 0 | 0 | 0 | 113.2 | L589 A593 L616 C617 E618 | L589-N620 PolarHBondContact O-ND2 3.29Å; A593-N620 HydrophobicContact CB-CB 4.22Å; L616-N620 WeakPolarHBondContact O-CB 3.47Å; L616-N620 PolarHBondContact O-N 3.22Å; L616-N620 PolarHBondContact O-ND2 3.02Å; C617-N620 CarbonylContact O-C 3.59Å; C617-N620 PolarHBondContact O-N 3.03Å; E618-N620 VanDerWaalsContact C-N 3.29Å; E618-N620 PolarHBondContact O-N 3.05Å |
| 621 | G | 73.8 | Confident | 78.7 | Confident | 40 Ų | 40 | 45.5 Ų | 45.5 | 41% | 0.412 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 24.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | C617 E618 K619 | C617-G621 PolarHBondContact O-N 3.09Å; C617-G621 VanDerWaalsContact O-N 3.12Å; E618-G621 PolarHBondContact O-N 3.11Å; E618-G621 VanDerWaalsContact O-N 3.08Å; K619-G621 VanDerWaalsContact C-N 3.31Å |
| 622 | L | 76.5 | Confident | 78.6 | Confident | 23 Ų | 23 | 47.7 Ų | 47.7 | 12% | 0.12 | 25% | 0.245 | C | C | . | . | trans | -97.9 | 67.9 | 172.6 | -61.6 | 173.4 | 0 | 0 | 0 | 109.5 | L589 A593 D597 C617 Q624 R625 A626 | L589-L622 HydrophobicContact CD2-CD1 3.93Å; A593-L622 HydrophobicContact CB-CD1 4.24Å; D597-L622 HydrophobicContact CB-CD1 4.15Å; D597-L622 HydrophobicContact CB-CD2 4.12Å; C617-L622 HydrophobicContact CB-CB 4.01Å; C617-L622 PolarHBondContact O-N 3.45Å; L622-Q624 VanDerWaalsContact C-N 3.29Å; L622-Q624 PolarHBondContact O-N 3.14Å; L622-R625 HydrophobicContact CB-CB 4.39Å; L622-R625 PolarHBondContact O-N 3.23Å; L622-A626 PolarHBondContact O-N 2.96Å; L622-A626 VanDerWaalsContact O-N 3.08Å | ||
| 623 | L | 75 | Confident | 78.1 | Confident | 20 Ų | 20 | 46.8 Ų | 46.8 | 11% | 0.105 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.6 | -32.8 | -173.9 | -69.6 | 166.2 | 0 | 0 | 0 | 112.1 | E618 R625 A626 L627 L645 L646 E649 | E618-L623 HydrophobicContact CG-CD2 4.12Å; L623-R625 PolarHBondContact O-N 3.39Å; L623-A626 PolarHBondContact O-N 3.36Å; L623-L627 WeakPolarHBondContact O-CB 3.24Å; L623-L627 WeakPolarHBondContact O-CG 3.41Å; L623-L627 PolarHBondContact O-N 3.35Å; L623-L645 HydrophobicContact CD1-CB 3.87Å; L623-L645 HydrophobicContact CD1-CD1 4.31Å; L623-L646 HydrophobicContact CB-CD2 3.85Å; L623-E649 VanDerWaalsContact CB-OE1 3.3Å; L623-E649 WeakPolarHBondContact CB-OE1 3.35Å; L623-E649 PolarHBondContact N-OE1 3.36Å |
| 624 | Q | 77.1 | Confident | 77.6 | Confident | 34 Ų | 34 | 53.5 Ų | 53.5 | 16% | 0.159 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.5 | -48.4 | 175.5 | -172.8 | -177.8 | -22.6 | 0 | 0 | 111.8 | L622 L627 E628 L646 W666 | L622-Q624 VanDerWaalsContact C-N 3.29Å; L622-Q624 PolarHBondContact O-N 3.14Å; Q624-L627 PolarHBondContact O-N 3.06Å; Q624-E628 PolarHBondContact O-N 3.35Å; Q624-L646 HydrophobicContact CB-CD2 4.34Å; Q624-W666 HydrophobicContact CG-CD2 3.71Å; Q624-W666 HydrophobicContact CG-CE3 4.11Å; Q624-W666 HydrophobicContact CG-CG 4.27Å; Q624-W666 HydrophobicContact CG-CH2 4.03Å; Q624-W666 HydrophobicContact CG-CZ2 3.58Å; Q624-W666 HydrophobicContact CG-CZ3 4.27Å |
| 625 | R | 80.1 | Confident | 77.5 | Confident | 34 Ų | 34 | 55.2 Ų | 55.2 | 13% | 0.128 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.7 | -32.9 | 179.3 | -59.4 | -58 | 171.3 | -164.7 | -5.3 | 112.4 | D597 L600 C617 L622 L623 E628 H629 | D597-R625 WeakPolarHBondContact OD1-CG 3.45Å; D597-R625 IonicContact OD1-CZ 2.71Å; D597-R625 IonicContact OD1-NE 3.81Å; D597-R625 PolarHBondContact OD1-NE 3.03Å; D597-R625 IonicContact OD1-NH2 3.48Å; L600-R625 HydrophobicContact CD1-CB 4.35Å; L600-R625 HydrophobicContact CD1-CG 4.37Å; C617-R625 HydrophobicContact CB-CB 4.18Å; L622-R625 HydrophobicContact CB-CB 4.39Å; L622-R625 PolarHBondContact O-N 3.23Å; L623-R625 PolarHBondContact O-N 3.39Å; R625-E628 WeakPolarHBondContact CD-OE2 3.49Å; R625-E628 IonicContact CZ-OE2 3.88Å; R625-E628 IonicContact NE-OE2 2.75Å; R625-E628 IonicContact NH1-OE1 2.7Å; R625-E628 PolarHBondContact NH1-OE1 3.15Å; R625-E628 IonicContact NH1-OE2 3.46Å; R625-E628 PolarHBondContact NH1-OE2 3.19Å; R625-E628 PolarHBondContact O-N 3.41Å; R625-H629 PolarHBondContact O-N 3.01Å; R625-H629 PolarHBondContact O-ND1 3.34Å |
| 626 | A | 77.2 | Confident | 77.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | C617 E618 L622 L623 E628 H629 Y630 | C617-A626 HydrophobicContact CB-CB 4.22Å; E618-A626 HydrophobicContact CB-CB 4.05Å; L622-A626 PolarHBondContact O-N 2.96Å; L622-A626 VanDerWaalsContact O-N 3.08Å; L623-A626 PolarHBondContact O-N 3.36Å; A626-E628 PolarHBondContact O-N 3.1Å; A626-H629 PolarHBondContact O-N 3.27Å; A626-H629 VanDerWaalsContact O-N 3.16Å; A626-Y630 HydrophobicContact CB-CD2 4.13Å; A626-Y630 HydrophobicContact CB-CE2 3.69Å; A626-Y630 WeakPolarHBondContact O-CD2 3.46Å; A626-Y630 VanDerWaalsContact O-CG 3.28Å; A626-Y630 PolarHBondContact O-N 2.92Å |
| 627 | L | 78.8 | Confident | 77.3 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.1 | -35.6 | 178 | -79.9 | 170.5 | 0 | 0 | 0 | 113.7 | L623 Q624 H629 I636 A639 V640 L646 W666 F670 | L623-L627 WeakPolarHBondContact O-CB 3.24Å; L623-L627 WeakPolarHBondContact O-CG 3.41Å; L623-L627 PolarHBondContact O-N 3.35Å; Q624-L627 PolarHBondContact O-N 3.06Å; L627-H629 PolarHBondContact O-N 3.37Å; L627-I636 HydrophobicContact CD2-CG2 4.29Å; L627-A639 HydrophobicContact CD1-CB 4.4Å; L627-A639 HydrophobicContact CD2-CB 3.6Å; L627-A639 HydrophobicContact CG-CB 3.96Å; L627-V640 HydrophobicContact CD1-CG2 4.31Å; L627-V640 HydrophobicContact CD2-CG2 4.13Å; L627-L646 HydrophobicContact CD1-CD1 4.33Å; L627-L646 HydrophobicContact CD1-CD2 4.42Å; L627-W666 HydrophobicContact CB-CH2 3.76Å; L627-W666 HydrophobicContact CB-CZ2 4.28Å; L627-W666 HydrophobicContact CD1-CH2 3.67Å; L627-W666 HydrophobicContact CD1-CZ3 4.08Å; L627-W666 HydrophobicContact CG-CH2 4.37Å; L627-F670 HydrophobicContact CB-CE2 4.3Å; L627-F670 HydrophobicContact CB-CZ 4.35Å; L627-F670 HydrophobicContact CD2-CE1 4.44Å; L627-F670 HydrophobicContact CD2-CZ 4.15Å; L627-F670 WeakPolarHBondContact O-CE2 3.26Å |
| 628 | E | 78.5 | Confident | 77.1 | Confident | 76 Ų | 76 | 57.3 Ų | 57.3 | 36% | 0.355 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.8 | -24.8 | 175.3 | -70.5 | 173.3 | 173.2 | 0 | 0 | 112.5 | Q624 R625 A626 W666 | Q624-E628 PolarHBondContact O-N 3.35Å; R625-E628 WeakPolarHBondContact CD-OE2 3.49Å; R625-E628 IonicContact CZ-OE2 3.88Å; R625-E628 IonicContact NE-OE2 2.75Å; R625-E628 IonicContact NH1-OE1 2.7Å; R625-E628 PolarHBondContact NH1-OE1 3.15Å; R625-E628 IonicContact NH1-OE2 3.46Å; R625-E628 PolarHBondContact NH1-OE2 3.19Å; R625-E628 PolarHBondContact O-N 3.41Å; A626-E628 PolarHBondContact O-N 3.1Å; E628-W666 HydrophobicContact CG-CZ2 3.93Å; E628-W666 PolarHBondContact OE1-NE1 2.87Å |
| 629 | H | 78.5 | Confident | 77.1 | Confident | 28 Ų | 28 | 54.7 Ų | 54.7 | 13% | 0.13 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -105.5 | -19 | -174.6 | -66.7 | 27.2 | 0 | 0 | 0 | 113.1 | Y608 A614 R625 A626 L627 | Y608-H629 AromaticContact CE2-CD2 4Å; Y608-H629 AromaticContact CE2-NE2 3.67Å; Y608-H629 AromaticContact CZ-NE2 3.66Å; Y608-H629 PolarHBondContact OH-CE1 3.29Å; Y608-H629 PolarHBondContact OH-NE2 3.43Å; A614-H629 HydrophobicContact CB-CB 3.6Å; R625-H629 PolarHBondContact O-N 3.01Å; R625-H629 PolarHBondContact O-ND1 3.34Å; A626-H629 PolarHBondContact O-N 3.27Å; A626-H629 VanDerWaalsContact O-N 3.16Å; L627-H629 PolarHBondContact O-N 3.37Å |
| 630 | Y | 80.3 | Confident | 77.2 | Confident | 27 Ų | 27 | 46.7 Ų | 46.7 | 11% | 0.106 | 24% | 0.239 | C | C | . | . | trans | -75.6 | 128.3 | 174.2 | -73.6 | -39.6 | 0 | 0 | 0 | 111.6 | A614 E618 A626 D635 | A614-Y630 HydrophobicContact CB-CD1 3.99Å; A614-Y630 HydrophobicContact CB-CE1 3.66Å; E618-Y630 PolarHBondContact OE2-OH 2.85Å; A626-Y630 HydrophobicContact CB-CD2 4.13Å; A626-Y630 HydrophobicContact CB-CE2 3.69Å; A626-Y630 WeakPolarHBondContact O-CD2 3.46Å; A626-Y630 VanDerWaalsContact O-CG 3.28Å; A626-Y630 PolarHBondContact O-N 2.92Å; Y630-D635 HydrophobicContact CD1-CB 4.26Å; Y630-D635 HydrophobicContact CD2-CB 4.16Å; Y630-D635 HydrophobicContact CG-CB 4.02Å | ||
| 631 | T | 74.8 | Confident | 77 | Confident | 138 Ų | 138 | 44.3 Ų | 44.3 | 85% | 0.847 | 23% | 0.227 | S | C | * | . | trans | -107.1 | -15.8 | 176.9 | 56.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 632 | D | 76.7 | Confident | 76.7 | Confident | 86 Ų | 86 | 46.3 Ų | 46.3 | 46% | 0.46 | 23% | 0.225 | S | C | . | . | trans | -85.7 | 128.4 | -179.3 | -174.4 | 14.4 | 0 | 0 | 0 | 111.6 | F634 D635 I636 | D632-F634 PolarHBondContact O-N 3.14Å; D632-F634 PolarHBondContact OD1-N 3.37Å; D632-D635 PolarHBondContact O-N 3.26Å; D632-D635 VanDerWaalsContact O-N 3.16Å; D632-I636 WeakPolarHBondContact O-CG1 3.47Å; D632-I636 PolarHBondContact O-N 3.32Å | ||
| 633 | L | 73.3 | Confident | 76 | Confident | 50 Ų | 50 | 45.6 Ų | 45.6 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.2 | -31.3 | -179.7 | -177.5 | 65 | 0 | 0 | 0 | 112.1 | K637 D678 | L633-K637 HydrophobicContact CD1-CD 4.48Å; L633-K637 HydrophobicContact CD1-CG 4.2Å; L633-K637 HydrophobicContact CG-CD 4.2Å; L633-K637 HydrophobicContact CG-CG 4.29Å; L633-K637 WeakPolarHBondContact O-CB 3.37Å; L633-K637 WeakPolarHBondContact O-CG 3.42Å; L633-K637 PolarHBondContact O-N 2.86Å; L633-D678 HydrophobicContact CD1-CB 3.95Å; L633-D678 VanDerWaalsContact CD2-OD1 3.31Å; L633-D678 WeakPolarHBondContact CD2-OD1 3.47Å |
| 634 | F | 75.7 | Confident | 75.3 | Confident | 141 Ų | 141 | 47.4 Ų | 47.4 | 62% | 0.618 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -64.2 | -47.5 | 177 | -179.2 | -97.9 | 0 | 0 | 0 | 111.8 | D632 K637 R638 | D632-F634 PolarHBondContact O-N 3.14Å; D632-F634 PolarHBondContact OD1-N 3.37Å; F634-K637 PolarHBondContact O-N 3.09Å; F634-R638 WeakPolarHBondContact O-CB 3.31Å; F634-R638 PolarHBondContact O-N 3.47Å |
| 635 | D | 78.2 | Confident | 74.3 | Confident | 37 Ų | 37 | 49.8 Ų | 49.8 | 20% | 0.198 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.2 | -38.3 | 177.5 | -70.5 | -39.9 | 0 | 0 | 0 | 111.2 | Y630 D632 R638 A639 | Y630-D635 HydrophobicContact CD1-CB 4.26Å; Y630-D635 HydrophobicContact CD2-CB 4.16Å; Y630-D635 HydrophobicContact CG-CB 4.02Å; D632-D635 PolarHBondContact O-N 3.26Å; D632-D635 VanDerWaalsContact O-N 3.16Å; D635-R638 PolarHBondContact O-N 2.82Å; D635-R638 IonicContact OD1-CZ 3.36Å; D635-R638 IonicContact OD1-NH1 2.83Å; D635-R638 PolarHBondContact OD1-NH1 3.16Å; D635-R638 IonicContact OD1-NH2 2.56Å; D635-R638 PolarHBondContact OD1-NH2 2.75Å; D635-A639 WeakPolarHBondContact O-CB 3.06Å; D635-A639 PolarHBondContact O-N 3.44Å |
| 636 | I | 79.6 | Confident | 73.2 | Confident | 11 Ų | 11 | 48.6 Ų | 48.6 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.1 | -49.4 | 175.2 | -64.5 | 166.9 | 0 | 0 | 0 | 111.1 | L627 D632 R638 A639 V640 F670 L674 | L627-I636 HydrophobicContact CD2-CG2 4.29Å; D632-I636 WeakPolarHBondContact O-CG1 3.47Å; D632-I636 PolarHBondContact O-N 3.32Å; I636-R638 VanDerWaalsContact C-N 3.29Å; I636-R638 PolarHBondContact O-N 3.14Å; I636-A639 PolarHBondContact O-N 3.17Å; I636-V640 HydrophobicContact CG2-CG2 4.05Å; I636-V640 VanDerWaalsContact O-CB 3.3Å; I636-V640 WeakPolarHBondContact O-CB 3.43Å; I636-V640 WeakPolarHBondContact O-CG2 3.47Å; I636-V640 PolarHBondContact O-N 2.84Å; I636-F670 HydrophobicContact CG1-CZ 4.45Å; I636-F670 HydrophobicContact CG2-CE1 3.95Å; I636-F670 HydrophobicContact CG2-CZ 3.94Å; I636-L674 HydrophobicContact CD1-CD2 4.25Å |
| 637 | K | 77 | Confident | 71.9 | Confident | 63 Ų | 63 | 53 Ų | 53 | 27% | 0.274 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60 | -40 | 177.8 | -77.4 | -177.5 | -177.2 | -175.2 | 0 | 111.3 | L633 F634 V641 E681 | L633-K637 HydrophobicContact CD1-CD 4.48Å; L633-K637 HydrophobicContact CD1-CG 4.2Å; L633-K637 HydrophobicContact CG-CD 4.2Å; L633-K637 HydrophobicContact CG-CG 4.29Å; L633-K637 WeakPolarHBondContact O-CB 3.37Å; L633-K637 WeakPolarHBondContact O-CG 3.42Å; L633-K637 PolarHBondContact O-N 2.86Å; F634-K637 PolarHBondContact O-N 3.09Å; K637-V641 WeakPolarHBondContact O-CG2 3.18Å; K637-E681 IonicContact NZ-OE2 3.17Å; K637-E681 PolarHBondContact NZ-OE2 3.43Å |
| 638 | R | 78.2 | Confident | 70.3 | Confident | 96 Ų | 96 | 59.7 Ų | 59.7 | 36% | 0.362 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 177.3 | -172.6 | 179.4 | 78.5 | -132.5 | 0.9 | 111.7 | E618 F634 D635 I636 V641 H642 | E618-R638 IonicContact OE1-CZ 2.71Å; E618-R638 IonicContact OE1-NE 3.67Å; E618-R638 IonicContact OE1-NH2 3.07Å; E618-R638 PolarHBondContact OE1-NH2 2.9Å; E618-R638 IonicContact OE2-NH2 3.91Å; E618-R638 PolarHBondContact OE2-NH2 3.32Å; F634-R638 WeakPolarHBondContact O-CB 3.31Å; F634-R638 PolarHBondContact O-N 3.47Å; D635-R638 PolarHBondContact O-N 2.82Å; D635-R638 IonicContact OD1-CZ 3.36Å; D635-R638 IonicContact OD1-NH1 2.83Å; D635-R638 PolarHBondContact OD1-NH1 3.16Å; D635-R638 IonicContact OD1-NH2 2.56Å; D635-R638 PolarHBondContact OD1-NH2 2.75Å; I636-R638 VanDerWaalsContact C-N 3.29Å; I636-R638 PolarHBondContact O-N 3.14Å; R638-V641 VanDerWaalsContact O-CG2 3.28Å; R638-V641 WeakPolarHBondContact O-CG2 3.47Å; R638-H642 PolarHBondContact O-CD2 3.32Å; R638-H642 VanDerWaalsContact O-CD2 3.28Å |
| 639 | A | 75.4 | Confident | 68.7 | Low | 2 Ų | 2 | 58.9 Ų | 58.9 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -79.1 | -37.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L627 D635 I636 V641 H642 | L627-A639 HydrophobicContact CD1-CB 4.4Å; L627-A639 HydrophobicContact CD2-CB 3.6Å; L627-A639 HydrophobicContact CG-CB 3.96Å; D635-A639 WeakPolarHBondContact O-CB 3.06Å; D635-A639 PolarHBondContact O-N 3.44Å; I636-A639 PolarHBondContact O-N 3.17Å; A639-V641 PolarHBondContact O-N 3.03Å; A639-H642 PolarHBondContact O-N 2.89Å |
| 640 | V | 78.5 | Confident | 66.9 | Low | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.7 | -33.5 | -175.4 | 152.7 | 0 | 0 | 0 | 0 | 113.8 | L627 I636 H642 T643 F670 M686 | L627-V640 HydrophobicContact CD1-CG2 4.31Å; L627-V640 HydrophobicContact CD2-CG2 4.13Å; I636-V640 HydrophobicContact CG2-CG2 4.05Å; I636-V640 VanDerWaalsContact O-CB 3.3Å; I636-V640 WeakPolarHBondContact O-CB 3.43Å; I636-V640 WeakPolarHBondContact O-CG2 3.47Å; I636-V640 PolarHBondContact O-N 2.84Å; V640-H642 PolarHBondContact O-N 2.93Å; V640-T643 PolarHBondContact O-N 3.13Å; V640-F670 HydrophobicContact CG2-CE1 4.09Å; V640-M686 HydrophobicContact CG1-CG 3.96Å; V640-M686 HydrophobicContact CG1-SD 4.05Å |
| 641 | V | 73.8 | Confident | 64.6 | Low | 22 Ų | 22 | 64 Ų | 64 | 13% | 0.133 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -18.9 | 180 | -76.9 | 0 | 0 | 0 | 0 | 113.5 | K637 R638 A639 T643 A685 F689 | K637-V641 WeakPolarHBondContact O-CG2 3.18Å; R638-V641 VanDerWaalsContact O-CG2 3.28Å; R638-V641 WeakPolarHBondContact O-CG2 3.47Å; A639-V641 PolarHBondContact O-N 3.03Å; V641-T643 PolarHBondContact O-N 3.44Å; V641-A685 HydrophobicContact CG1-CB 4.38Å; V641-F689 HydrophobicContact CB-CG 4.44Å; V641-F689 HydrophobicContact CG1-CB 4.35Å |
| 642 | H | 67.8 | Low | 62.9 | Low | 81 Ų | 81 | 68.9 Ų | 68.9 | 38% | 0.375 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 37 | 176.3 | -64.6 | -64 | 0 | 0 | 0 | 112.9 | R638 A639 V640 P644 L645 L646 | R638-H642 PolarHBondContact O-CD2 3.32Å; R638-H642 VanDerWaalsContact O-CD2 3.28Å; A639-H642 PolarHBondContact O-N 2.89Å; V640-H642 PolarHBondContact O-N 2.93Å; H642-P644 WeakPolarHBondContact O-CD 3.47Å; H642-L645 HydrophobicContact CB-CB 4.46Å; H642-L645 HydrophobicContact CB-CD1 4.1Å; H642-L645 PolarHBondContact O-N 3.44Å; H642-L646 PolarHBondContact O-N 2.84Å |
| 643 | T | 61.5 | Low | 60.9 | Low | 8 Ų | 8 | 70 Ų | 70 | 5% | 0.049 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -45.1 | -33.8 | 174.6 | -3 | 0 | 0 | 0 | 0 | 115.5 | V640 V641 K647 L667 M686 N694 | V640-T643 PolarHBondContact O-N 3.13Å; V641-T643 PolarHBondContact O-N 3.44Å; T643-K647 PolarHBondContact O-N 3.36Å; T643-L667 HydrophobicContact CG2-CD2 3.76Å; T643-M686 HydrophobicContact CG2-CE 3.92Å; T643-N694 PolarHBondContact OG1-OD1 3.19Å |
| 644 | P | 59.5 | Low | 58.8 | Low | 59 Ų | 59 | 75.8 Ų | 75.8 | 38% | 0.383 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.4 | -31.8 | 174.9 | -21.3 | 33.6 | 0 | 0 | 0 | 114.5 | H642 K647 | H642-P644 WeakPolarHBondContact O-CD 3.47Å; P644-K647 WeakPolarHBondContact O-CB 3.35Å; P644-K647 PolarHBondContact O-N 3.18Å |
| 645 | L | 57.7 | Low | 56.8 | Low | 83 Ų | 83 | 78.8 Ų | 78.8 | 44% | 0.435 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -71.6 | -38.1 | 176.6 | -70.1 | 173.4 | 0 | 0 | 0 | 110.5 | L623 H642 K647 Q648 | L623-L645 HydrophobicContact CD1-CB 3.87Å; L623-L645 HydrophobicContact CD1-CD1 4.31Å; H642-L645 HydrophobicContact CB-CB 4.46Å; H642-L645 HydrophobicContact CB-CD1 4.1Å; H642-L645 PolarHBondContact O-N 3.44Å; L645-K647 PolarHBondContact O-N 3.31Å; L645-K647 VanDerWaalsContact O-N 3.11Å; L645-Q648 PolarHBondContact O-N 3.32Å |
| 646 | L | 57.3 | Low | 54.9 | Low | 10 Ų | 10 | 83.3 Ų | 83.3 | 5% | 0.052 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.1 | -25.6 | 170.4 | -69.6 | 170.2 | 0 | 0 | 0 | 112.8 | L623 Q624 L627 H642 H663 W666 | L623-L646 HydrophobicContact CB-CD2 3.85Å; Q624-L646 HydrophobicContact CB-CD2 4.34Å; L627-L646 HydrophobicContact CD1-CD1 4.33Å; L627-L646 HydrophobicContact CD1-CD2 4.42Å; H642-L646 PolarHBondContact O-N 2.84Å; L646-H663 PolarHBondContact O-CE1 3.39Å; L646-H663 PolarHBondContact O-ND1 3.11Å; L646-H663 VanDerWaalsContact O-ND1 3.16Å; L646-W666 HydrophobicContact CD1-CZ3 4.47Å; L646-W666 HydrophobicContact CD2-CZ3 4.49Å |
| 647 | K | 48.3 | Very low | 53 | Low | 92 Ų | 92 | 91.5 Ų | 91.5 | 40% | 0.4 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -18.9 | 175.8 | -70.7 | 178.5 | 179.7 | 176.8 | 0 | 113.9 | T643 P644 L645 | T643-K647 PolarHBondContact O-N 3.36Å; P644-K647 WeakPolarHBondContact O-CB 3.35Å; P644-K647 PolarHBondContact O-N 3.18Å; L645-K647 PolarHBondContact O-N 3.31Å; L645-K647 VanDerWaalsContact O-N 3.11Å |
| 648 | Q | 45.1 | Very low | 51.3 | Low | 142 Ų | 142 | 96 Ų | 96 | 66% | 0.664 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -18.3 | -174.2 | -109.6 | -179.4 | -8.7 | 0 | 0 | 113.8 | L645 V650 C651 | L645-Q648 PolarHBondContact O-N 3.32Å; Q648-V650 PolarHBondContact O-N 2.94Å; Q648-C651 PolarHBondContact O-N 2.91Å |
| 649 | E | 46 | Very low | 49.3 | Very low | 58 Ų | 58 | 94.4 Ų | 94.4 | 27% | 0.271 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -19.5 | -170.5 | -74.6 | 176.9 | 179.7 | 0 | 0 | 114.6 | L623 | L623-E649 VanDerWaalsContact CB-OE1 3.3Å; L623-E649 WeakPolarHBondContact CB-OE1 3.35Å; L623-E649 PolarHBondContact N-OE1 3.36Å |
| 650 | V | 39.7 | Very low | 47.6 | Very low | 70 Ų | 70 | 101 Ų | 101 | 42% | 0.424 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -4.1 | -177.7 | -174.4 | 0 | 0 | 0 | 0 | 114.8 | Q648 R652 | Q648-V650 PolarHBondContact O-N 2.94Å; V650-R652 PolarHBondContact O-N 2.93Å |
| 651 | C | 33 | Very low | 45.9 | Very low | 93 Ų | 93 | 106.7 Ų | 106.7 | 63% | 0.628 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | 22.4 | -174.3 | -87.1 | 0 | 0 | 0 | 0 | 116.9 | Q648 | Q648-C651 PolarHBondContact O-N 2.91Š|
| 652 | R | 39.1 | Very low | 44.5 | Very low | 241 Ų | 241 | 109.7 Ų | 109.7 | 91% | 0.909 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 0.9 | 173.9 | -88.1 | -170.9 | 176.3 | 178.2 | 1.7 | 115.4 | V650 | V650-R652 PolarHBondContact O-N 2.93Š|
| 653 | V | 34.2 | Very low | 43.8 | Very low | 108 Ų | 108 | 107.5 Ų | 107.5 | 66% | 0.655 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -119.9 | 123.3 | 174.6 | -168.6 | 0 | 0 | 0 | 0 | 110.3 | Y655 | V653-Y655 PolarHBondContact O-N 3.26Å; V653-Y655 VanDerWaalsContact O-N 3.09Å |
| 654 | H | 29.1 | Very low | 43.8 | Very low | 172 Ų | 172 | 108.9 Ų | 108.9 | 80% | 0.796 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -63.4 | 97.9 | -174.2 | -98.9 | 56.9 | 0 | 0 | 0 | 112.7 | ||
| 655 | Y | 33.3 | Very low | 44 | Very low | 204 Ų | 204 | 111 Ų | 111 | 80% | 0.8 | 55% | 0.552 | S | S | * | * | trans | -158.9 | 94 | 149.1 | -88 | -71 | 0 | 0 | 0 | 111.4 | V653 Q657 | V653-Y655 PolarHBondContact O-N 3.26Å; V653-Y655 VanDerWaalsContact O-N 3.09Å; Y655-Q657 PolarHBondContact O-N 3.39Å | ||
| 656 | V | 38.6 | Very low | 44.7 | Very low | 132 Ų | 132 | 109 Ų | 109 | 80% | 0.8 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 33.3 | -153.9 | -177.7 | 0 | 0 | 0 | 0 | 116.2 | ||
| 657 | Q | 39.7 | Very low | 45.6 | Very low | 183 Ų | 183 | 108.8 Ų | 108.8 | 86% | 0.855 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.9 | -18.9 | 174.5 | -137.3 | 122.1 | 16.3 | 0 | 0 | 119.3 | Y655 | Y655-Q657 PolarHBondContact O-N 3.39Š|
| 658 | L | 40.7 | Very low | 46.8 | Very low | 158 Ų | 158 | 105 Ų | 105 | 83% | 0.827 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -20.6 | 175.1 | -96.1 | 99.3 | 0 | 0 | 0 | 114 | L660 L661 | L658-L660 PolarHBondContact O-N 3.19Å; L658-L661 PolarHBondContact O-N 3.2Å |
| 659 | E | 37.1 | Very low | 48.3 | Very low | 63 Ų | 63 | 102.6 Ų | 102.6 | 29% | 0.294 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.7 | -28.2 | -168.8 | -67.9 | 179.5 | 165 | 0 | 0 | 114.5 | L661 C662 | E659-L661 PolarHBondContact O-N 3.46Å; E659-L661 VanDerWaalsContact O-N 3.15Å; E659-C662 PolarHBondContact O-N 2.9Å |
| 660 | L | 40.5 | Very low | 49.8 | Very low | 140 Ų | 140 | 100.8 Ų | 100.8 | 73% | 0.733 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.8 | -23.6 | -177.5 | -152.7 | 82.4 | 0 | 0 | 0 | 112.9 | L658 | L658-L660 PolarHBondContact O-N 3.19Å |
| 661 | L | 41.8 | Very low | 51.7 | Low | 122 Ų | 122 | 97.6 Ų | 97.6 | 64% | 0.639 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -81 | -28.5 | -178.9 | -127.7 | 118.6 | 0 | 0 | 0 | 112.7 | L658 E659 Q665 | L658-L661 PolarHBondContact O-N 3.2Å; E659-L661 PolarHBondContact O-N 3.46Å; E659-L661 VanDerWaalsContact O-N 3.15Å; L661-Q665 WeakPolarHBondContact O-CG 3.48Å; L661-Q665 PolarHBondContact O-N 2.94Å |
| 662 | C | 45 | Very low | 53.8 | Low | 85 Ų | 85 | 95 Ų | 95 | 57% | 0.574 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -72.6 | -44.6 | -171.1 | -163.6 | 0 | 0 | 0 | 0 | 112.5 | E659 L664 Q665 W666 | E659-C662 PolarHBondContact O-N 2.9Å; C662-L664 PolarHBondContact O-N 3.32Å; C662-Q665 WeakPolarHBondContact O-CB 3.27Å; C662-Q665 PolarHBondContact O-N 3.16Å; C662-W666 PolarHBondContact O-N 3.46Å |
| 663 | H | 53.4 | Low | 55.6 | Low | 34 Ų | 34 | 88.8 Ų | 88.8 | 16% | 0.157 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -66.5 | -35.7 | 179.6 | -71.9 | -70.5 | 0 | 0 | 0 | 113.3 | L646 Q665 W666 L667 | L646-H663 PolarHBondContact O-CE1 3.39Å; L646-H663 PolarHBondContact O-ND1 3.11Å; L646-H663 VanDerWaalsContact O-ND1 3.16Å; H663-Q665 VanDerWaalsContact C-N 3.33Å; H663-W666 PolarHBondContact O-N 3.17Å; H663-L667 PolarHBondContact O-N 3.35Å; H663-L667 VanDerWaalsContact O-N 3.16Å |
| 664 | L | 59.7 | Low | 57.7 | Low | 38 Ų | 38 | 85 Ų | 85 | 20% | 0.199 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -67.6 | -36.2 | 176.3 | -170 | 70 | 0 | 0 | 0 | 111.1 | C662 L667 L668 Q700 | C662-L664 PolarHBondContact O-N 3.32Å; L664-L667 PolarHBondContact O-N 3.45Å; L664-L668 HydrophobicContact CG-CD1 4.25Å; L664-L668 WeakPolarHBondContact O-CB 3.42Å; L664-L668 WeakPolarHBondContact O-CD1 3.43Å; L664-L668 WeakPolarHBondContact O-CG 3.43Å; L664-L668 PolarHBondContact O-N 2.92Å; L664-Q700 HydrophobicContact CD2-CB 4.16Å; L664-Q700 HydrophobicContact CD2-CG 3.92Å |
| 665 | Q | 64.7 | Low | 60 | Low | 104 Ų | 104 | 79.5 Ų | 79.5 | 49% | 0.486 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 175.4 | -79.3 | -176.6 | -9 | 0 | 0 | 113 | L661 C662 H663 L668 N669 | L661-Q665 WeakPolarHBondContact O-CG 3.48Å; L661-Q665 PolarHBondContact O-N 2.94Å; C662-Q665 WeakPolarHBondContact O-CB 3.27Å; C662-Q665 PolarHBondContact O-N 3.16Å; H663-Q665 VanDerWaalsContact C-N 3.33Å; Q665-L668 WeakPolarHBondContact O-CB 3.45Å; Q665-L668 PolarHBondContact O-N 3.12Å; Q665-N669 VanDerWaalsContact O-CG 3.28Å; Q665-N669 PolarHBondContact O-N 3.23Å |
| 666 | W | 72.9 | Confident | 62.1 | Low | 41 Ų | 41 | 73.2 Ų | 73.2 | 16% | 0.155 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.9 | -48.6 | 175.2 | 176.8 | 88.4 | 0 | 0 | 0 | 111.3 | Q624 L627 E628 L646 C662 H663 L668 N669 F670 | Q624-W666 HydrophobicContact CG-CD2 3.71Å; Q624-W666 HydrophobicContact CG-CE3 4.11Å; Q624-W666 HydrophobicContact CG-CG 4.27Å; Q624-W666 HydrophobicContact CG-CH2 4.03Å; Q624-W666 HydrophobicContact CG-CZ2 3.58Å; Q624-W666 HydrophobicContact CG-CZ3 4.27Å; L627-W666 HydrophobicContact CB-CH2 3.76Å; L627-W666 HydrophobicContact CB-CZ2 4.28Å; L627-W666 HydrophobicContact CD1-CH2 3.67Å; L627-W666 HydrophobicContact CD1-CZ3 4.08Å; L627-W666 HydrophobicContact CG-CH2 4.37Å; E628-W666 HydrophobicContact CG-CZ2 3.93Å; E628-W666 PolarHBondContact OE1-NE1 2.87Å; L646-W666 HydrophobicContact CD1-CZ3 4.47Å; L646-W666 HydrophobicContact CD2-CZ3 4.49Å; C662-W666 PolarHBondContact O-N 3.46Å; H663-W666 PolarHBondContact O-N 3.17Å; W666-L668 PolarHBondContact O-N 3.36Å; W666-N669 CarbonylContact O-C 3.59Å; W666-N669 WeakPolarHBondContact O-CA 3.34Å; W666-N669 PolarHBondContact O-N 3.44Å; W666-F670 HydrophobicContact CH2-CB 4.24Å; W666-F670 HydrophobicContact CH2-CD2 4.29Å; W666-F670 HydrophobicContact CH2-CG 4.14Å; W666-F670 HydrophobicContact CZ2-CB 4.29Å; W666-F670 HydrophobicContact CZ2-CD2 4.22Å; W666-F670 HydrophobicContact CZ2-CG 4.36Å; W666-F670 HydrophobicContact CZ3-CB 4.45Å; W666-F670 PolarHBondContact O-N 2.61Å |
| 667 | L | 75.3 | Confident | 63.9 | Low | 5 Ų | 5 | 74.5 Ų | 74.5 | 3% | 0.026 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.6 | -41.8 | 176.9 | -172.6 | 71.1 | 0 | 0 | 0 | 110.6 | T643 H663 L664 N669 F670 F671 M686 I701 | T643-L667 HydrophobicContact CG2-CD2 3.76Å; H663-L667 PolarHBondContact O-N 3.35Å; H663-L667 VanDerWaalsContact O-N 3.16Å; L664-L667 PolarHBondContact O-N 3.45Å; L667-N669 VanDerWaalsContact C-N 3.35Å; L667-N669 PolarHBondContact O-N 3.17Å; L667-F670 PolarHBondContact O-N 3.21Å; L667-F671 HydrophobicContact CD1-CD2 4.29Å; L667-F671 HydrophobicContact CD1-CE2 4Å; L667-F671 HydrophobicContact CG-CD2 4.14Å; L667-F671 HydrophobicContact CG-CE2 4.07Å; L667-F671 WeakPolarHBondContact O-CD2 3.2Å; L667-F671 PolarHBondContact O-N 3.44Å; L667-M686 HydrophobicContact CD2-CE 4.31Å; L667-I701 HydrophobicContact CD2-CD1 4.16Å; L667-I701 HydrophobicContact CG-CD1 4.46Å |
| 668 | L | 75 | Confident | 65.8 | Low | 12 Ų | 12 | 68 Ų | 68 | 6% | 0.063 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.8 | -45 | 172.4 | -75.2 | 166.6 | 0 | 0 | 0 | 111.5 | L664 Q665 W666 Q700 I701 K704 Y705 | L664-L668 HydrophobicContact CG-CD1 4.25Å; L664-L668 WeakPolarHBondContact O-CB 3.42Å; L664-L668 WeakPolarHBondContact O-CD1 3.43Å; L664-L668 WeakPolarHBondContact O-CG 3.43Å; L664-L668 PolarHBondContact O-N 2.92Å; Q665-L668 WeakPolarHBondContact O-CB 3.45Å; Q665-L668 PolarHBondContact O-N 3.12Å; W666-L668 PolarHBondContact O-N 3.36Å; L668-Q700 HydrophobicContact CD2-CB 4.3Å; L668-Q700 WeakPolarHBondContact CD2-O 3.46Å; L668-I701 VanDerWaalsContact CD2-CA 3.43Å; L668-I701 HydrophobicContact CD2-CB 4.12Å; L668-I701 HydrophobicContact CD2-CG1 3.66Å; L668-I701 HydrophobicContact CG-CG1 4.49Å; L668-K704 HydrophobicContact CB-CD 3.88Å; L668-K704 HydrophobicContact CD1-CD 4.48Å; L668-K704 HydrophobicContact CD2-CB 4.05Å; L668-K704 HydrophobicContact CD2-CD 3.97Å; L668-K704 HydrophobicContact CG-CD 4.34Å; L668-Y705 WeakPolarHBondContact O-CE2 3.48Å; L668-Y705 PolarHBondContact O-OH 2.96Å |
| 669 | N | 76 | Confident | 67.9 | Low | 92 Ų | 92 | 60.9 Ų | 60.9 | 49% | 0.492 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.6 | -38.5 | 178.4 | -68.6 | -17.1 | 0 | 0 | 0 | 112.3 | Q665 W666 L667 F671 G672 K704 | Q665-N669 VanDerWaalsContact O-CG 3.28Å; Q665-N669 PolarHBondContact O-N 3.23Å; W666-N669 CarbonylContact O-C 3.59Å; W666-N669 WeakPolarHBondContact O-CA 3.34Å; W666-N669 PolarHBondContact O-N 3.44Å; L667-N669 VanDerWaalsContact C-N 3.35Å; L667-N669 PolarHBondContact O-N 3.17Å; N669-F671 PolarHBondContact O-N 2.84Å; N669-G672 WeakPolarHBondContact O-CA 3.28Å; N669-G672 PolarHBondContact O-N 2.8Å; N669-K704 PolarHBondContact OD1-NZ 2.95Å |
| 670 | F | 78 | Confident | 70 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 8% | 0.083 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 176.3 | 179.5 | -103.2 | 0 | 0 | 0 | 112.6 | L627 I636 V640 W666 L667 G672 T673 L674 | L627-F670 HydrophobicContact CB-CE2 4.3Å; L627-F670 HydrophobicContact CB-CZ 4.35Å; L627-F670 HydrophobicContact CD2-CE1 4.44Å; L627-F670 HydrophobicContact CD2-CZ 4.15Å; L627-F670 WeakPolarHBondContact O-CE2 3.26Å; I636-F670 HydrophobicContact CG1-CZ 4.45Å; I636-F670 HydrophobicContact CG2-CE1 3.95Å; I636-F670 HydrophobicContact CG2-CZ 3.94Å; V640-F670 HydrophobicContact CG2-CE1 4.09Å; W666-F670 HydrophobicContact CH2-CB 4.24Å; W666-F670 HydrophobicContact CH2-CD2 4.29Å; W666-F670 HydrophobicContact CH2-CG 4.14Å; W666-F670 HydrophobicContact CZ2-CB 4.29Å; W666-F670 HydrophobicContact CZ2-CD2 4.22Å; W666-F670 HydrophobicContact CZ2-CG 4.36Å; W666-F670 HydrophobicContact CZ3-CB 4.45Å; W666-F670 PolarHBondContact O-N 2.61Å; L667-F670 PolarHBondContact O-N 3.21Å; F670-G672 PolarHBondContact O-N 3.24Å; F670-G672 VanDerWaalsContact O-N 3.16Å; F670-T673 PolarHBondContact O-N 3.28Å; F670-T673 PolarHBondContact O-OG1 2.79Å; F670-L674 HydrophobicContact CD1-CD1 4.28Å; F670-L674 HydrophobicContact CE1-CD1 3.92Å; F670-L674 HydrophobicContact CE1-CD2 4.36Å; F670-L674 HydrophobicContact CE1-CG 4.28Å; F670-L674 HydrophobicContact CZ-CD2 4.28Å; F670-L674 PolarHBondContact O-N 2.88Å |
| 671 | F | 79.5 | Confident | 72 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 1% | 0.013 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.2 | -20.8 | 172.8 | -90.3 | -92.9 | 0 | 0 | 0 | 113.4 | L667 N669 T673 L674 S679 C682 L683 M686 I701 Y705 | L667-F671 HydrophobicContact CD1-CD2 4.29Å; L667-F671 HydrophobicContact CD1-CE2 4Å; L667-F671 HydrophobicContact CG-CD2 4.14Å; L667-F671 HydrophobicContact CG-CE2 4.07Å; L667-F671 WeakPolarHBondContact O-CD2 3.2Å; L667-F671 PolarHBondContact O-N 3.44Å; N669-F671 PolarHBondContact O-N 2.84Å; F671-T673 VanDerWaalsContact C-N 3.3Å; F671-L674 HydrophobicContact CD1-CD1 4.09Å; F671-L674 HydrophobicContact CE1-CD1 4.31Å; F671-L674 HydrophobicContact CG-CD1 4.39Å; F671-L674 PolarHBondContact O-N 3.37Å; F671-S679 PolarHBondContact O-OG 3.29Å; F671-C682 HydrophobicContact CE1-CB 3.67Å; F671-C682 HydrophobicContact CZ-CB 3.77Å; F671-L683 HydrophobicContact CE1-CD2 4.1Å; F671-L683 HydrophobicContact CE1-CG 4.05Å; F671-L683 HydrophobicContact CZ-CD2 4.25Å; F671-M686 HydrophobicContact CE2-SD 4.31Å; F671-M686 HydrophobicContact CZ-SD 4.01Å; F671-I701 HydrophobicContact CB-CG2 4.01Å; F671-I701 HydrophobicContact CD1-CG2 3.91Å; F671-I701 HydrophobicContact CD2-CD1 3.71Å; F671-I701 HydrophobicContact CD2-CG1 4.25Å; F671-I701 HydrophobicContact CD2-CG2 4.35Å; F671-I701 HydrophobicContact CE1-CG2 4.46Å; F671-I701 HydrophobicContact CE2-CD1 3.58Å; F671-I701 HydrophobicContact CG-CD1 4.29Å; F671-I701 HydrophobicContact CG-CG2 3.83Å; F671-I701 HydrophobicContact CZ-CD1 4.05Å; F671-Y705 HydrophobicContact CB-CD2 4.3Å; F671-Y705 HydrophobicContact CB-CE2 3.89Å |
| 672 | G | 76 | Confident | 74 | Confident | 39 Ų | 39 | 51 Ų | 51 | 40% | 0.402 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -15.7 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | N669 F670 Y705 | N669-G672 WeakPolarHBondContact O-CA 3.28Å; N669-G672 PolarHBondContact O-N 2.8Å; F670-G672 PolarHBondContact O-N 3.24Å; F670-G672 VanDerWaalsContact O-N 3.16Å; G672-Y705 VanDerWaalsContact CA-CZ 3.48Å; G672-Y705 VanDerWaalsContact CA-OH 3.28Å; G672-Y705 WeakPolarHBondContact CA-OH 3.39Å; G672-Y705 PolarHBondContact N-OH 3.43Å |
| 673 | T | 77.3 | Confident | 75.8 | Confident | 110 Ų | 110 | 47 Ų | 47 | 68% | 0.675 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -11.6 | 174.3 | 61.5 | 0 | 0 | 0 | 0 | 112.6 | F670 F671 | F670-T673 PolarHBondContact O-N 3.28Å; F670-T673 PolarHBondContact O-OG1 2.79Å; F671-T673 VanDerWaalsContact C-N 3.3Å |
| 674 | L | 77.7 | Confident | 77.2 | Confident | 29 Ų | 29 | 49.8 Ų | 49.8 | 15% | 0.152 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -83.9 | 154.9 | 176.5 | -65.5 | 176.4 | 0 | 0 | 0 | 111.2 | I636 F670 F671 D678 | I636-L674 HydrophobicContact CD1-CD2 4.25Å; F670-L674 HydrophobicContact CD1-CD1 4.28Å; F670-L674 HydrophobicContact CE1-CD1 3.92Å; F670-L674 HydrophobicContact CE1-CD2 4.36Å; F670-L674 HydrophobicContact CE1-CG 4.28Å; F670-L674 HydrophobicContact CZ-CD2 4.28Å; F670-L674 PolarHBondContact O-N 2.88Å; F671-L674 HydrophobicContact CD1-CD1 4.09Å; F671-L674 HydrophobicContact CE1-CD1 4.31Å; F671-L674 HydrophobicContact CG-CD1 4.39Å; F671-L674 PolarHBondContact O-N 3.37Å; L674-D678 HydrophobicContact CB-CB 4.48Å |
| 675 | S | 78.5 | Confident | 78.2 | Confident | 57 Ų | 57 | 49.1 Ų | 49.1 | 40% | 0.399 | 27% | 0.267 | S | S | . | . | trans | -66.8 | 161.5 | 170.4 | 80.5 | 0 | 0 | 0 | 0 | 111.3 | E677 D678 S679 | S675-E677 VanDerWaalsContact C-N 3.31Å; S675-E677 PolarHBondContact O-N 3.4Å; S675-D678 PolarHBondContact O-N 3.44Å; S675-D678 WeakPolarHBondContact OG-CB 3.3Å; S675-D678 PolarHBondContact OG-N 3.34Å; S675-D678 VanDerWaalsContact OG-N 3.16Å; S675-D678 PolarHBondContact OG-OD2 3.49Å; S675-S679 VanDerWaalsContact O-CB 3.27Å; S675-S679 WeakPolarHBondContact O-CB 3.44Å; S675-S679 PolarHBondContact O-N 3.04Å; S675-S679 PolarHBondContact O-OG 3.3Å | ||
| 676 | V | 76.6 | Confident | 78.9 | Confident | 72 Ų | 72 | 44.2 Ų | 44.2 | 44% | 0.436 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.4 | -39.2 | 180 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | L680 L709 | V676-L680 WeakPolarHBondContact O-CG 3.28Å; V676-L680 PolarHBondContact O-N 3.03Å; V676-L680 VanDerWaalsContact O-N 3.15Å; V676-L709 HydrophobicContact CG1-CD2 4Å |
| 677 | E | 76.8 | Confident | 79.3 | Confident | 158 Ų | 158 | 42.4 Ų | 42.4 | 74% | 0.738 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -69.5 | -45.8 | 178.2 | -66.2 | -175.2 | 178.1 | 0 | 0 | 111.6 | S675 S679 L680 E681 | S675-E677 VanDerWaalsContact C-N 3.31Å; S675-E677 PolarHBondContact O-N 3.4Å; E677-S679 VanDerWaalsContact C-N 3.29Å; E677-S679 PolarHBondContact O-N 3.44Å; E677-L680 PolarHBondContact O-N 3.17Å; E677-E681 PolarHBondContact O-N 2.97Å |
| 678 | D | 80.5 | Confident | 79.6 | Confident | 48 Ų | 48 | 46.3 Ų | 46.3 | 26% | 0.257 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.8 | -37.3 | 177.5 | -64.3 | -36.3 | 0 | 0 | 0 | 111.5 | L633 L674 S675 E681 C682 | L633-D678 HydrophobicContact CD1-CB 3.95Å; L633-D678 VanDerWaalsContact CD2-OD1 3.31Å; L633-D678 WeakPolarHBondContact CD2-OD1 3.47Å; L674-D678 HydrophobicContact CB-CB 4.48Å; S675-D678 PolarHBondContact O-N 3.44Å; S675-D678 WeakPolarHBondContact OG-CB 3.3Å; S675-D678 PolarHBondContact OG-N 3.34Å; S675-D678 VanDerWaalsContact OG-N 3.16Å; S675-D678 PolarHBondContact OG-OD2 3.49Å; D678-E681 PolarHBondContact O-N 3.28Å; D678-C682 VanDerWaalsContact O-CB 3.27Å; D678-C682 WeakPolarHBondContact O-CB 3.4Å; D678-C682 PolarHBondContact O-N 2.96Å; D678-C682 PolarHBondContact O-SG 3.38Å |
| 679 | S | 83.1 | Confident | 79.7 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 175.3 | -67.4 | 0 | 0 | 0 | 0 | 111.4 | F671 S675 E677 E681 C682 L683 | F671-S679 PolarHBondContact O-OG 3.29Å; S675-S679 VanDerWaalsContact O-CB 3.27Å; S675-S679 WeakPolarHBondContact O-CB 3.44Å; S675-S679 PolarHBondContact O-N 3.04Å; S675-S679 PolarHBondContact O-OG 3.3Å; E677-S679 VanDerWaalsContact C-N 3.29Å; E677-S679 PolarHBondContact O-N 3.44Å; S679-E681 PolarHBondContact O-N 3.11Å; S679-C682 PolarHBondContact O-N 3.01Å; S679-L683 WeakPolarHBondContact O-CB 3.37Å; S679-L683 VanDerWaalsContact O-CG 3.24Å; S679-L683 WeakPolarHBondContact O-CG 3.36Å; S679-L683 PolarHBondContact O-N 3.41Å |
| 680 | L | 81 | Confident | 79.7 | Confident | 42 Ų | 42 | 49.9 Ų | 49.9 | 22% | 0.22 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64 | -41 | 177.5 | -72.8 | 173.7 | 0 | 0 | 0 | 111.9 | V676 E677 L683 K684 L709 | V676-L680 WeakPolarHBondContact O-CG 3.28Å; V676-L680 PolarHBondContact O-N 3.03Å; V676-L680 VanDerWaalsContact O-N 3.15Å; E677-L680 PolarHBondContact O-N 3.17Å; L680-L683 PolarHBondContact O-N 3.19Å; L680-K684 WeakPolarHBondContact O-CG 3.5Å; L680-K684 PolarHBondContact O-N 3.11Å; L680-L709 HydrophobicContact CD2-CD2 3.82Å; L680-L709 HydrophobicContact CG-CD2 3.74Å |
| 681 | E | 83.3 | Confident | 79.6 | Confident | 76 Ų | 76 | 52.4 Ų | 52.4 | 36% | 0.355 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 176.4 | -79.6 | -64.9 | 123.3 | 0 | 0 | 112.4 | K637 E677 D678 S679 K684 A685 | K637-E681 IonicContact NZ-OE2 3.17Å; K637-E681 PolarHBondContact NZ-OE2 3.43Å; E677-E681 PolarHBondContact O-N 2.97Å; D678-E681 PolarHBondContact O-N 3.28Å; S679-E681 PolarHBondContact O-N 3.11Å; E681-K684 PolarHBondContact O-N 3.03Å; E681-K684 IonicContact OE1-NZ 2.82Å; E681-K684 PolarHBondContact OE1-NZ 3.37Å; E681-K684 VanDerWaalsContact OE1-NZ 3.07Å; E681-A685 WeakPolarHBondContact O-CB 3.48Å; E681-A685 PolarHBondContact O-N 2.92Å |
| 682 | C | 83.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 173.7 | -75.6 | 0 | 0 | 0 | 0 | 111.7 | F671 D678 S679 A685 M686 | F671-C682 HydrophobicContact CE1-CB 3.67Å; F671-C682 HydrophobicContact CZ-CB 3.77Å; D678-C682 VanDerWaalsContact O-CB 3.27Å; D678-C682 WeakPolarHBondContact O-CB 3.4Å; D678-C682 PolarHBondContact O-N 2.96Å; D678-C682 PolarHBondContact O-SG 3.38Å; S679-C682 PolarHBondContact O-N 3.01Å; C682-A685 PolarHBondContact O-N 2.87Å; C682-M686 VanDerWaalsContact O-CG 3.31Å; C682-M686 WeakPolarHBondContact O-CG 3.38Å; C682-M686 PolarHBondContact O-N 3.46Å |
| 683 | L | 83.5 | Confident | 79.1 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 175.9 | -70.9 | 176.4 | 0 | 0 | 0 | 112.2 | F671 S679 L680 M686 L687 V698 I701 L709 | F671-L683 HydrophobicContact CE1-CD2 4.1Å; F671-L683 HydrophobicContact CE1-CG 4.05Å; F671-L683 HydrophobicContact CZ-CD2 4.25Å; S679-L683 WeakPolarHBondContact O-CB 3.37Å; S679-L683 VanDerWaalsContact O-CG 3.24Å; S679-L683 WeakPolarHBondContact O-CG 3.36Å; S679-L683 PolarHBondContact O-N 3.41Å; L680-L683 PolarHBondContact O-N 3.19Å; L683-M686 PolarHBondContact O-N 3.49Å; L683-L687 WeakPolarHBondContact O-CG 3.45Å; L683-L687 PolarHBondContact O-N 3.48Å; L683-V698 HydrophobicContact CD2-CB 4.33Å; L683-V698 HydrophobicContact CD2-CG1 4.15Å; L683-V698 HydrophobicContact CD2-CG2 4.02Å; L683-I701 HydrophobicContact CD1-CG2 4.31Å; L683-I701 HydrophobicContact CD2-CB 4.06Å; L683-I701 HydrophobicContact CD2-CD1 3.9Å; L683-I701 HydrophobicContact CD2-CG2 3.91Å; L683-L709 HydrophobicContact CD1-CD1 4.11Å |
| 684 | K | 82.8 | Confident | 79.2 | Confident | 93 Ų | 93 | 61.9 Ų | 61.9 | 40% | 0.404 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 172.1 | -74.7 | 174.2 | -169.5 | 167.6 | 0 | 111.1 | L680 E681 M686 L687 S688 L717 | L680-K684 WeakPolarHBondContact O-CG 3.5Å; L680-K684 PolarHBondContact O-N 3.11Å; E681-K684 PolarHBondContact O-N 3.03Å; E681-K684 IonicContact OE1-NZ 2.82Å; E681-K684 PolarHBondContact OE1-NZ 3.37Å; E681-K684 VanDerWaalsContact OE1-NZ 3.07Å; K684-M686 VanDerWaalsContact C-N 3.32Å; K684-M686 PolarHBondContact O-N 3.02Å; K684-L687 PolarHBondContact O-N 3.36Å; K684-S688 VanDerWaalsContact O-CB 3.31Å; K684-S688 WeakPolarHBondContact O-CB 3.27Å; K684-S688 PolarHBondContact O-N 2.89Å; K684-S688 PolarHBondContact O-OG 3.5Å; K684-L717 HydrophobicContact CG-CD1 4.02Å |
| 685 | A | 81.7 | Confident | 79.2 | Confident | 24 Ų | 24 | 61.9 Ų | 61.9 | 20% | 0.198 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V641 E681 C682 S688 F689 | V641-A685 HydrophobicContact CG1-CB 4.38Å; E681-A685 WeakPolarHBondContact O-CB 3.48Å; E681-A685 PolarHBondContact O-N 2.92Å; C682-A685 PolarHBondContact O-N 2.87Å; A685-S688 PolarHBondContact O-N 2.93Å; A685-S688 PolarHBondContact O-OG 3.06Å; A685-F689 WeakPolarHBondContact O-CB 3.24Å; A685-F689 PolarHBondContact O-N 3.41Å |
| 686 | M | 79.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 176.3 | -72.9 | -178 | 78.2 | 0 | 0 | 112.7 | V640 T643 L667 F671 C682 L683 K684 N690 N694 V698 I701 | V640-M686 HydrophobicContact CG1-CG 3.96Å; V640-M686 HydrophobicContact CG1-SD 4.05Å; T643-M686 HydrophobicContact CG2-CE 3.92Å; L667-M686 HydrophobicContact CD2-CE 4.31Å; F671-M686 HydrophobicContact CE2-SD 4.31Å; F671-M686 HydrophobicContact CZ-SD 4.01Å; C682-M686 VanDerWaalsContact O-CG 3.31Å; C682-M686 WeakPolarHBondContact O-CG 3.38Å; C682-M686 PolarHBondContact O-N 3.46Å; L683-M686 PolarHBondContact O-N 3.49Å; K684-M686 VanDerWaalsContact C-N 3.32Å; K684-M686 PolarHBondContact O-N 3.02Å; M686-N690 PolarHBondContact O-N 2.75Å; M686-N694 HydrophobicContact CB-CB 4.21Å; M686-N694 HydrophobicContact CE-CB 4.31Å; M686-N694 PolarHBondContact O-ND2 2.82Å; M686-V698 HydrophobicContact CB-CG2 4.11Å; M686-I701 HydrophobicContact SD-CD1 4.45Å |
| 687 | L | 80.4 | Confident | 79.2 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.7 | -41 | 177.6 | -71.8 | 177.5 | 0 | 0 | 0 | 111.7 | L683 K684 F689 I691 L695 V698 L717 F721 | L683-L687 WeakPolarHBondContact O-CG 3.45Å; L683-L687 PolarHBondContact O-N 3.48Å; K684-L687 PolarHBondContact O-N 3.36Å; L687-F689 VanDerWaalsContact C-N 3.35Å; L687-F689 PolarHBondContact O-N 2.94Å; L687-I691 WeakPolarHBondContact O-CG1 3.15Å; L687-I691 PolarHBondContact O-N 3.36Å; L687-L695 HydrophobicContact CD2-CD1 4.45Å; L687-V698 HydrophobicContact CD1-CG1 4.09Å; L687-V698 HydrophobicContact CD2-CB 4.12Å; L687-V698 HydrophobicContact CD2-CG1 4.06Å; L687-V698 HydrophobicContact CD2-CG2 3.86Å; L687-V698 HydrophobicContact CG-CB 4.48Å; L687-V698 HydrophobicContact CG-CG1 4.1Å; L687-V698 HydrophobicContact CG-CG2 3.97Å; L687-L717 HydrophobicContact CD1-CD1 4.35Å; L687-L717 HydrophobicContact CD1-CD2 4.2Å; L687-L717 HydrophobicContact CD1-CG 4.15Å; L687-F721 HydrophobicContact CB-CE2 4.31Å; L687-F721 HydrophobicContact CB-CZ 4.25Å; L687-F721 HydrophobicContact CD1-CD2 3.94Å; L687-F721 HydrophobicContact CD1-CE2 3.97Å |
| 688 | S | 81.3 | Confident | 79.4 | Confident | 87 Ų | 87 | 54.8 Ų | 54.8 | 61% | 0.608 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -65.2 | -36.6 | -179.1 | 73.3 | 0 | 0 | 0 | 0 | 113.1 | K684 A685 | K684-S688 VanDerWaalsContact O-CB 3.31Å; K684-S688 WeakPolarHBondContact O-CB 3.27Å; K684-S688 PolarHBondContact O-N 2.89Å; K684-S688 PolarHBondContact O-OG 3.5Å; A685-S688 PolarHBondContact O-N 2.93Å; A685-S688 PolarHBondContact O-OG 3.06Å |
| 689 | F | 76.9 | Confident | 79.5 | Confident | 129 Ų | 129 | 53 Ų | 53 | 57% | 0.566 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -71.2 | -50 | -179.3 | -170.7 | -99.3 | 0 | 0 | 0 | 112.3 | V641 A685 L687 | V641-F689 HydrophobicContact CB-CG 4.44Å; V641-F689 HydrophobicContact CG1-CB 4.35Å; A685-F689 WeakPolarHBondContact O-CB 3.24Å; A685-F689 PolarHBondContact O-N 3.41Å; L687-F689 VanDerWaalsContact C-N 3.35Å; L687-F689 PolarHBondContact O-N 2.94Å |
| 690 | N | 77.1 | Confident | 79.3 | Confident | 50 Ų | 50 | 56.8 Ų | 56.8 | 27% | 0.267 | 27% | 0.272 | S | S | . | . | trans | -158.9 | 92.7 | 178.2 | -165.2 | -25.2 | 0 | 0 | 0 | 113.2 | M686 R692 Q693 N694 | M686-N690 PolarHBondContact O-N 2.75Å; N690-R692 VanDerWaalsContact C-N 3.32Å; N690-R692 PolarHBondContact O-N 3.33Å; N690-R692 PolarHBondContact OD1-N 2.81Å; N690-Q693 HydrophobicContact CB-CB 4.37Å; N690-Q693 VanDerWaalsContact ND2-CD 3.29Å; N690-Q693 PolarHBondContact ND2-OE1 3.37Å; N690-Q693 PolarHBondContact O-N 3.47Å; N690-Q693 PolarHBondContact OD1-N 3.45Å; N690-N694 WeakPolarHBondContact O-CB 3.4Å; N690-N694 PolarHBondContact O-N 3.02Å | ||
| 691 | I | 75.3 | Confident | 79.3 | Confident | 72 Ų | 72 | 54.8 Ų | 54.8 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -54.1 | -45.5 | 178.9 | -58.3 | 176.4 | 0 | 0 | 0 | 111.7 | L687 Q693 N694 L695 F721 | L687-I691 WeakPolarHBondContact O-CG1 3.15Å; L687-I691 PolarHBondContact O-N 3.36Å; I691-Q693 VanDerWaalsContact C-N 3.33Å; I691-Q693 PolarHBondContact O-N 2.95Å; I691-N694 PolarHBondContact O-N 3.38Å; I691-L695 WeakPolarHBondContact O-CB 3.41Å; I691-L695 PolarHBondContact O-N 2.88Å; I691-F721 HydrophobicContact CD1-CD1 4.06Å |
| 692 | R | 72.3 | Confident | 79.2 | Confident | 239 Ų | 239 | 51.2 Ų | 51.2 | 90% | 0.902 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -65.2 | -35.7 | -174 | -76.1 | -173.5 | -175.5 | 174.6 | 2.6 | 113.2 | N690 | N690-R692 VanDerWaalsContact C-N 3.32Å; N690-R692 PolarHBondContact O-N 3.33Å; N690-R692 PolarHBondContact OD1-N 2.81Å |
| 693 | Q | 72.1 | Confident | 79.1 | Confident | 109 Ų | 109 | 52.3 Ų | 52.3 | 51% | 0.509 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -87.5 | -33 | -178.4 | -69.8 | -176.5 | -10.4 | 0 | 0 | 112.5 | N690 I691 | N690-Q693 HydrophobicContact CB-CB 4.37Å; N690-Q693 VanDerWaalsContact ND2-CD 3.29Å; N690-Q693 PolarHBondContact ND2-OE1 3.37Å; N690-Q693 PolarHBondContact O-N 3.47Å; N690-Q693 PolarHBondContact OD1-N 3.45Å; I691-Q693 VanDerWaalsContact C-N 3.33Å; I691-Q693 PolarHBondContact O-N 2.95Å |
| 694 | N | 79.6 | Confident | 78.9 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -96.1 | -15.8 | -173.2 | -68.1 | -28.8 | 0 | 0 | 0 | 114.1 | T643 M686 N690 I691 Q696 S697 V698 | T643-N694 PolarHBondContact OG1-OD1 3.19Å; M686-N694 HydrophobicContact CB-CB 4.21Å; M686-N694 HydrophobicContact CE-CB 4.31Å; M686-N694 PolarHBondContact O-ND2 2.82Å; N690-N694 WeakPolarHBondContact O-CB 3.4Å; N690-N694 PolarHBondContact O-N 3.02Å; I691-N694 PolarHBondContact O-N 3.38Å; N694-Q696 VanDerWaalsContact C-N 3.31Å; N694-Q696 PolarHBondContact O-N 3.09Å; N694-S697 PolarHBondContact O-N 3.1Å; N694-S697 VanDerWaalsContact O-N 3.07Å; N694-V698 WeakPolarHBondContact O-CG2 3.47Å; N694-V698 PolarHBondContact O-N 3.23Å |
| 695 | L | 78.4 | Confident | 78.8 | Confident | 28 Ų | 28 | 53.6 Ų | 53.6 | 15% | 0.147 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -53.7 | -44.4 | -176.5 | -178.3 | 67.4 | 0 | 0 | 0 | 112.8 | L687 I691 S697 V698 V699 F718 | L687-L695 HydrophobicContact CD2-CD1 4.45Å; I691-L695 WeakPolarHBondContact O-CB 3.41Å; I691-L695 PolarHBondContact O-N 2.88Å; L695-S697 PolarHBondContact O-N 3.43Å; L695-V698 PolarHBondContact O-N 3.42Å; L695-V699 HydrophobicContact CD1-CG2 4.29Å; L695-V699 HydrophobicContact CG-CG2 4.41Å; L695-V699 WeakPolarHBondContact O-CB 3.33Å; L695-V699 VanDerWaalsContact O-CG2 3.26Å; L695-V699 WeakPolarHBondContact O-CG2 3.48Å; L695-V699 PolarHBondContact O-N 3.4Å; L695-F718 HydrophobicContact CD1-CE1 4.08Å |
| 696 | Q | 79.1 | Confident | 78.8 | Confident | 135 Ų | 135 | 54.1 Ų | 54.1 | 63% | 0.631 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -64.5 | -40.7 | -179.7 | -170.7 | -178.1 | 7.6 | 0 | 0 | 112.1 | N694 Q700 | N694-Q696 VanDerWaalsContact C-N 3.31Å; N694-Q696 PolarHBondContact O-N 3.09Å; Q696-Q700 WeakPolarHBondContact O-CG 3.4Å; Q696-Q700 PolarHBondContact O-N 2.97Å |
| 697 | S | 76.2 | Confident | 78.8 | Confident | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.028 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67 | -43.3 | 176.9 | -64.3 | 0 | 0 | 0 | 0 | 111.3 | N694 L695 Q700 I701 | N694-S697 PolarHBondContact O-N 3.1Å; N694-S697 VanDerWaalsContact O-N 3.07Å; L695-S697 PolarHBondContact O-N 3.43Å; S697-Q700 PolarHBondContact O-N 3.02Å; S697-I701 WeakPolarHBondContact O-CD1 3.48Å; S697-I701 VanDerWaalsContact O-CG1 3.27Å; S697-I701 WeakPolarHBondContact O-CG1 3.4Å; S697-I701 PolarHBondContact O-N 2.98Å |
| 698 | V | 80.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63 | -43.2 | 177.6 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | L683 M686 L687 N694 L695 Q700 I701 A702 F718 | L683-V698 HydrophobicContact CD2-CB 4.33Å; L683-V698 HydrophobicContact CD2-CG1 4.15Å; L683-V698 HydrophobicContact CD2-CG2 4.02Å; M686-V698 HydrophobicContact CB-CG2 4.11Å; L687-V698 HydrophobicContact CD1-CG1 4.09Å; L687-V698 HydrophobicContact CD2-CB 4.12Å; L687-V698 HydrophobicContact CD2-CG1 4.06Å; L687-V698 HydrophobicContact CD2-CG2 3.86Å; L687-V698 HydrophobicContact CG-CB 4.48Å; L687-V698 HydrophobicContact CG-CG1 4.1Å; L687-V698 HydrophobicContact CG-CG2 3.97Å; N694-V698 WeakPolarHBondContact O-CG2 3.47Å; N694-V698 PolarHBondContact O-N 3.23Å; L695-V698 PolarHBondContact O-N 3.42Å; V698-Q700 VanDerWaalsContact C-N 3.32Å; V698-Q700 PolarHBondContact O-N 2.91Å; V698-I701 PolarHBondContact O-N 2.93Å; V698-A702 WeakPolarHBondContact O-CB 3.32Å; V698-A702 PolarHBondContact O-N 2.79Å; V698-F718 HydrophobicContact CG1-CE1 4.22Å; V698-F718 HydrophobicContact CG1-CZ 4.19Å |
| 699 | V | 81.4 | Confident | 78.5 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 176.2 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | L695 A702 S703 F718 F730 | L695-V699 HydrophobicContact CD1-CG2 4.29Å; L695-V699 HydrophobicContact CG-CG2 4.41Å; L695-V699 WeakPolarHBondContact O-CB 3.33Å; L695-V699 VanDerWaalsContact O-CG2 3.26Å; L695-V699 WeakPolarHBondContact O-CG2 3.48Å; L695-V699 PolarHBondContact O-N 3.4Å; V699-A702 PolarHBondContact O-N 2.9Å; V699-S703 WeakPolarHBondContact O-CB 3.35Å; V699-S703 PolarHBondContact O-N 3.18Å; V699-S703 PolarHBondContact O-OG 3.5Å; V699-F718 HydrophobicContact CG2-CE1 4.06Å; V699-F718 HydrophobicContact CG2-CZ 3.89Å; V699-F730 HydrophobicContact CG1-CB 4.42Å |
| 700 | Q | 79.3 | Confident | 78.7 | Confident | 87 Ų | 87 | 61 Ų | 61 | 41% | 0.407 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.9 | -40.6 | -179.7 | -73.5 | -88.8 | -19.7 | 0 | 0 | 112.3 | L664 L668 Q696 S697 V698 S703 K704 | L664-Q700 HydrophobicContact CD2-CB 4.16Å; L664-Q700 HydrophobicContact CD2-CG 3.92Å; L668-Q700 HydrophobicContact CD2-CB 4.3Å; L668-Q700 WeakPolarHBondContact CD2-O 3.46Å; Q696-Q700 WeakPolarHBondContact O-CG 3.4Å; Q696-Q700 PolarHBondContact O-N 2.97Å; S697-Q700 PolarHBondContact O-N 3.02Å; V698-Q700 VanDerWaalsContact C-N 3.32Å; V698-Q700 PolarHBondContact O-N 2.91Å; Q700-S703 PolarHBondContact O-N 3.18Å; Q700-K704 PolarHBondContact O-N 3.3Å |
| 701 | I | 80.9 | Confident | 78.8 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.4 | -46 | 174.9 | -63.5 | 159.6 | 0 | 0 | 0 | 110 | L667 L668 F671 L683 M686 S697 V698 S703 K704 Y705 | L667-I701 HydrophobicContact CD2-CD1 4.16Å; L667-I701 HydrophobicContact CG-CD1 4.46Å; L668-I701 VanDerWaalsContact CD2-CA 3.43Å; L668-I701 HydrophobicContact CD2-CB 4.12Å; L668-I701 HydrophobicContact CD2-CG1 3.66Å; L668-I701 HydrophobicContact CG-CG1 4.49Å; F671-I701 HydrophobicContact CB-CG2 4.01Å; F671-I701 HydrophobicContact CD1-CG2 3.91Å; F671-I701 HydrophobicContact CD2-CD1 3.71Å; F671-I701 HydrophobicContact CD2-CG1 4.25Å; F671-I701 HydrophobicContact CD2-CG2 4.35Å; F671-I701 HydrophobicContact CE1-CG2 4.46Å; F671-I701 HydrophobicContact CE2-CD1 3.58Å; F671-I701 HydrophobicContact CG-CD1 4.29Å; F671-I701 HydrophobicContact CG-CG2 3.83Å; F671-I701 HydrophobicContact CZ-CD1 4.05Å; L683-I701 HydrophobicContact CD1-CG2 4.31Å; L683-I701 HydrophobicContact CD2-CB 4.06Å; L683-I701 HydrophobicContact CD2-CD1 3.9Å; L683-I701 HydrophobicContact CD2-CG2 3.91Å; M686-I701 HydrophobicContact SD-CD1 4.45Å; S697-I701 WeakPolarHBondContact O-CD1 3.48Å; S697-I701 VanDerWaalsContact O-CG1 3.27Å; S697-I701 WeakPolarHBondContact O-CG1 3.4Å; S697-I701 PolarHBondContact O-N 2.98Å; V698-I701 PolarHBondContact O-N 2.93Å; I701-S703 PolarHBondContact O-N 3.3Å; I701-K704 PolarHBondContact O-N 3.38Å; I701-Y705 HydrophobicContact CG2-CD2 4.07Å; I701-Y705 PolarHBondContact O-N 3.18Å |
| 702 | A | 81.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.5 | -47.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V698 V699 K704 H706 L714 F718 F730 | V698-A702 WeakPolarHBondContact O-CB 3.32Å; V698-A702 PolarHBondContact O-N 2.79Å; V699-A702 PolarHBondContact O-N 2.9Å; A702-K704 PolarHBondContact O-N 3.1Å; A702-H706 VanDerWaalsContact O-CA 3.26Å; A702-H706 WeakPolarHBondContact O-CA 3.47Å; A702-H706 WeakPolarHBondContact O-CB 3.06Å; A702-H706 PolarHBondContact O-N 3.42Å; A702-L714 HydrophobicContact CB-CD1 4.02Å; A702-L714 HydrophobicContact CB-CD2 3.88Å; A702-F718 HydrophobicContact CB-CE2 4.31Å; A702-F718 HydrophobicContact CB-CZ 4.36Å; A702-F730 HydrophobicContact CB-CD2 3.65Å; A702-F730 HydrophobicContact CB-CE2 3.69Å |
| 703 | S | 80.6 | Confident | 79.6 | Confident | 23 Ų | 23 | 53 Ų | 53 | 16% | 0.161 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 179.2 | -63.8 | 0 | 0 | 0 | 0 | 113.1 | V699 Q700 I701 H706 A733 | V699-S703 WeakPolarHBondContact O-CB 3.35Å; V699-S703 PolarHBondContact O-N 3.18Å; V699-S703 PolarHBondContact O-OG 3.5Å; Q700-S703 PolarHBondContact O-N 3.18Å; I701-S703 PolarHBondContact O-N 3.3Å; S703-H706 PolarHBondContact O-ND1 3.43Å; S703-A733 WeakPolarHBondContact OG-CB 3.18Å |
| 704 | K | 79.3 | Confident | 80.1 | Confident | 92 Ų | 92 | 47.8 Ų | 47.8 | 40% | 0.4 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -72.2 | -41.7 | -179.6 | -169.5 | 179 | 178.4 | -170 | 0 | 112.4 | L668 N669 Q700 I701 A702 | L668-K704 HydrophobicContact CB-CD 3.88Å; L668-K704 HydrophobicContact CD1-CD 4.48Å; L668-K704 HydrophobicContact CD2-CB 4.05Å; L668-K704 HydrophobicContact CD2-CD 3.97Å; L668-K704 HydrophobicContact CG-CD 4.34Å; N669-K704 PolarHBondContact OD1-NZ 2.95Å; Q700-K704 PolarHBondContact O-N 3.3Å; I701-K704 PolarHBondContact O-N 3.38Å; A702-K704 PolarHBondContact O-N 3.1Å |
| 705 | Y | 81.2 | Confident | 80.2 | Confident | 28 Ų | 28 | 48.4 Ų | 48.4 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -106.9 | 19 | -175.2 | -60.4 | -68 | 0 | 0 | 0 | 114.2 | L668 F671 G672 I701 E707 Q708 L709 | L668-Y705 WeakPolarHBondContact O-CE2 3.48Å; L668-Y705 PolarHBondContact O-OH 2.96Å; F671-Y705 HydrophobicContact CB-CD2 4.3Å; F671-Y705 HydrophobicContact CB-CE2 3.89Å; G672-Y705 VanDerWaalsContact CA-CZ 3.48Å; G672-Y705 VanDerWaalsContact CA-OH 3.28Å; G672-Y705 WeakPolarHBondContact CA-OH 3.39Å; G672-Y705 PolarHBondContact N-OH 3.43Å; I701-Y705 HydrophobicContact CG2-CD2 4.07Å; I701-Y705 PolarHBondContact O-N 3.18Å; Y705-E707 PolarHBondContact O-N 3.45Å; Y705-Q708 PolarHBondContact O-N 2.94Å; Y705-L709 PolarHBondContact O-N 3.27Å |
| 706 | H | 80.6 | Confident | 80.4 | Confident | 35 Ų | 35 | 51 Ų | 51 | 16% | 0.162 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.8 | -32.2 | -178.1 | 70.1 | -53.7 | 0 | 0 | 0 | 114.3 | A702 S703 Q708 T710 L714 F730 I734 | A702-H706 VanDerWaalsContact O-CA 3.26Å; A702-H706 WeakPolarHBondContact O-CA 3.47Å; A702-H706 WeakPolarHBondContact O-CB 3.06Å; A702-H706 PolarHBondContact O-N 3.42Å; S703-H706 PolarHBondContact O-ND1 3.43Å; H706-Q708 VanDerWaalsContact C-N 3.35Å; H706-T710 CarbonylContact O-C 3.5Å; H706-T710 WeakPolarHBondContact O-CA 3.37Å; H706-T710 PolarHBondContact O-N 3.15Å; H706-L714 HydrophobicContact CB-CD1 3.99Å; H706-F730 HydrophobicContact CB-CE2 4.08Å; H706-F730 HydrophobicContact CB-CZ 4.14Å; H706-I734 HydrophobicContact CB-CD1 3.7Å |
| 707 | E | 79.2 | Confident | 80.6 | Confident | 165 Ų | 165 | 45.4 Ų | 45.4 | 77% | 0.771 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -66 | -38.6 | 177.5 | -65 | -175.2 | 172.8 | 0 | 0 | 111.9 | Y705 | Y705-E707 PolarHBondContact O-N 3.45Å |
| 708 | Q | 79 | Confident | 81 | Confident | 119 Ų | 119 | 45.3 Ų | 45.3 | 56% | 0.556 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -83.1 | -42.5 | -177.4 | -64.1 | 164.8 | -2.3 | 0 | 0 | 111.6 | Y705 H706 T710 | Y705-Q708 PolarHBondContact O-N 2.94Å; H706-Q708 VanDerWaalsContact C-N 3.35Å; Q708-T710 VanDerWaalsContact C-N 3.25Å; Q708-T710 PolarHBondContact O-N 3.16Å |
| 709 | L | 77.5 | Confident | 81.1 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 4% | 0.037 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -78.1 | -11.4 | 179.1 | -63 | 167.9 | 0 | 0 | 0 | 112.8 | V676 L680 L683 Y705 A713 L714 | V676-L709 HydrophobicContact CG1-CD2 4Å; L680-L709 HydrophobicContact CD2-CD2 3.82Å; L680-L709 HydrophobicContact CG-CD2 3.74Å; L683-L709 HydrophobicContact CD1-CD1 4.11Å; Y705-L709 PolarHBondContact O-N 3.27Å; L709-A713 WeakPolarHBondContact O-CB 3.22Å; L709-L714 HydrophobicContact CB-CD1 4.04Å; L709-L714 HydrophobicContact CB-CD2 4.28Å; L709-L714 HydrophobicContact CB-CG 4.18Å; L709-L714 HydrophobicContact CD1-CD2 4.26Å |
| 710 | T | 80.9 | Confident | 81.1 | Confident | 72 Ų | 72 | 53 Ų | 53 | 44% | 0.442 | 27% | 0.274 | S | S | . | . | trans | 65.5 | 133.4 | -172.6 | 74.7 | 0 | 0 | 0 | 0 | 114.6 | H706 Q708 Q712 A713 L714 | H706-T710 CarbonylContact O-C 3.5Å; H706-T710 WeakPolarHBondContact O-CA 3.37Å; H706-T710 PolarHBondContact O-N 3.15Å; Q708-T710 VanDerWaalsContact C-N 3.25Å; Q708-T710 PolarHBondContact O-N 3.16Å; T710-Q712 PolarHBondContact O-N 3.11Å; T710-A713 PolarHBondContact O-N 3.2Å; T710-A713 WeakPolarHBondContact OG1-CB 3.19Å; T710-L714 PolarHBondContact O-N 3.41Å | ||
| 711 | T | 80.2 | Confident | 81.2 | Confident | 41 Ų | 41 | 52.7 Ų | 52.7 | 25% | 0.252 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.5 | -34.4 | -179.5 | -41 | 0 | 0 | 0 | 0 | 112.2 | I715 F730 V743 | T711-I715 HydrophobicContact CG2-CD1 4.06Å; T711-I715 WeakPolarHBondContact O-CG1 3.24Å; T711-I715 PolarHBondContact O-N 3.24Å; T711-F730 HydrophobicContact CG2-CE1 4.15Å; T711-F730 HydrophobicContact CG2-CZ 4.34Å; T711-V743 HydrophobicContact CG2-CG2 4.24Å |
| 712 | Q | 80.8 | Confident | 81.2 | Confident | 118 Ų | 118 | 61.4 Ų | 61.4 | 55% | 0.551 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -67.7 | -48.4 | -179.2 | -164.3 | 67.7 | 24.5 | 0 | 0 | 112.1 | T710 L714 I715 D716 | T710-Q712 PolarHBondContact O-N 3.11Å; Q712-L714 PolarHBondContact O-N 3.27Å; Q712-I715 PolarHBondContact O-N 3.15Å; Q712-D716 PolarHBondContact O-N 2.89Å |
| 713 | A | 82.2 | Confident | 81.1 | Confident | 34 Ų | 34 | 62.3 Ų | 62.3 | 28% | 0.281 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.7 | -32.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L709 T710 L717 | L709-A713 WeakPolarHBondContact O-CB 3.22Å; T710-A713 PolarHBondContact O-N 3.2Å; T710-A713 WeakPolarHBondContact OG1-CB 3.19Å; A713-L717 VanDerWaalsContact O-CB 3.29Å; A713-L717 WeakPolarHBondContact O-CB 3.36Å; A713-L717 PolarHBondContact O-N 3.37Å |
| 714 | L | 83.6 | Confident | 81 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -72.7 | -39.8 | 174.9 | -66.8 | 172.2 | 0 | 0 | 0 | 112.4 | A702 H706 L709 T710 Q712 L717 F718 F730 | A702-L714 HydrophobicContact CB-CD1 4.02Å; A702-L714 HydrophobicContact CB-CD2 3.88Å; H706-L714 HydrophobicContact CB-CD1 3.99Å; L709-L714 HydrophobicContact CB-CD1 4.04Å; L709-L714 HydrophobicContact CB-CD2 4.28Å; L709-L714 HydrophobicContact CB-CG 4.18Å; L709-L714 HydrophobicContact CD1-CD2 4.26Å; T710-L714 PolarHBondContact O-N 3.41Å; Q712-L714 PolarHBondContact O-N 3.27Å; L714-L717 HydrophobicContact CD2-CD2 4.38Å; L714-L717 WeakPolarHBondContact O-CB 3.49Å; L714-L717 PolarHBondContact O-N 3.4Å; L714-F718 WeakPolarHBondContact O-CD2 3.27Å; L714-F718 PolarHBondContact O-N 3.11Å; L714-F730 HydrophobicContact CB-CE1 3.9Å; L714-F730 HydrophobicContact CB-CE2 4.27Å; L714-F730 HydrophobicContact CB-CZ 3.64Å; L714-F730 HydrophobicContact CD1-CE1 4.49Å; L714-F730 HydrophobicContact CD1-CE2 3.6Å; L714-F730 HydrophobicContact CD1-CZ 3.45Å; L714-F730 VanDerWaalsContact CD1-CZ 3.45Å; L714-F730 HydrophobicContact CG-CZ 4.19Å |
| 715 | I | 81.5 | Confident | 80.9 | Confident | 17 Ų | 17 | 66.8 Ų | 66.8 | 9% | 0.087 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.3 | -49 | 171.3 | -71.6 | 165.4 | 0 | 0 | 0 | 109.5 | T711 Q712 L717 F718 E719 L727 L731 | T711-I715 HydrophobicContact CG2-CD1 4.06Å; T711-I715 WeakPolarHBondContact O-CG1 3.24Å; T711-I715 PolarHBondContact O-N 3.24Å; Q712-I715 PolarHBondContact O-N 3.15Å; I715-L717 VanDerWaalsContact C-N 3.32Å; I715-L717 PolarHBondContact O-N 3.34Å; I715-F718 PolarHBondContact O-N 2.8Å; I715-E719 HydrophobicContact CG2-CG 4.23Å; I715-E719 WeakPolarHBondContact O-CB 3.41Å; I715-E719 WeakPolarHBondContact O-CG 3.41Å; I715-E719 PolarHBondContact O-N 3.14Å; I715-L727 HydrophobicContact CG1-CD2 4.27Å; I715-L727 HydrophobicContact CG2-CD2 4.4Å; I715-L731 HydrophobicContact CD1-CD2 4.4Å; I715-L731 HydrophobicContact CG1-CD2 4.41Å |
| 716 | D | 82.5 | Confident | 80.9 | Confident | 84 Ų | 84 | 65.4 Ų | 65.4 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 178.9 | -67.4 | -16.9 | 0 | 0 | 0 | 111.6 | Q712 E719 S720 | Q712-D716 PolarHBondContact O-N 2.89Å; D716-E719 PolarHBondContact O-N 3.03Å; D716-S720 VanDerWaalsContact O-CB 3.24Å; D716-S720 WeakPolarHBondContact O-CB 3.48Å; D716-S720 PolarHBondContact O-N 3.21Å; D716-S720 PolarHBondContact O-OG 3.47Å |
| 717 | L | 83.7 | Confident | 80.9 | Confident | 16 Ų | 16 | 64.4 Ų | 64.4 | 8% | 0.084 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.1 | -52.6 | 173.3 | -176.9 | 70.7 | 0 | 0 | 0 | 110.6 | K684 L687 A713 L714 I715 S720 F721 | K684-L717 HydrophobicContact CG-CD1 4.02Å; L687-L717 HydrophobicContact CD1-CD1 4.35Å; L687-L717 HydrophobicContact CD1-CD2 4.2Å; L687-L717 HydrophobicContact CD1-CG 4.15Å; A713-L717 VanDerWaalsContact O-CB 3.29Å; A713-L717 WeakPolarHBondContact O-CB 3.36Å; A713-L717 PolarHBondContact O-N 3.37Å; L714-L717 HydrophobicContact CD2-CD2 4.38Å; L714-L717 WeakPolarHBondContact O-CB 3.49Å; L714-L717 PolarHBondContact O-N 3.4Å; I715-L717 VanDerWaalsContact C-N 3.32Å; I715-L717 PolarHBondContact O-N 3.34Å; L717-S720 PolarHBondContact O-N 2.6Å; L717-S720 PolarHBondContact O-OG 2.89Å; L717-F721 HydrophobicContact CD1-CD2 4.41Å; L717-F721 HydrophobicContact CD1-CE2 3.98Å; L717-F721 WeakPolarHBondContact O-CD2 3.49Å; L717-F721 PolarHBondContact O-N 2.95Å |
| 718 | F | 84.8 | Confident | 81.1 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.009 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.6 | -35.6 | -179.6 | -71.5 | -61.5 | 0 | 0 | 0 | 113.5 | L695 V698 V699 A702 L714 I715 F721 K722 S723 L727 F730 | L695-F718 HydrophobicContact CD1-CE1 4.08Å; V698-F718 HydrophobicContact CG1-CE1 4.22Å; V698-F718 HydrophobicContact CG1-CZ 4.19Å; V699-F718 HydrophobicContact CG2-CE1 4.06Å; V699-F718 HydrophobicContact CG2-CZ 3.89Å; A702-F718 HydrophobicContact CB-CE2 4.31Å; A702-F718 HydrophobicContact CB-CZ 4.36Å; L714-F718 WeakPolarHBondContact O-CD2 3.27Å; L714-F718 PolarHBondContact O-N 3.11Å; I715-F718 PolarHBondContact O-N 2.8Å; F718-F721 PolarHBondContact O-N 3.18Å; F718-K722 PolarHBondContact O-N 3.45Å; F718-S723 PolarHBondContact O-N 2.87Å; F718-L727 HydrophobicContact CB-CD1 4.16Å; F718-L727 HydrophobicContact CB-CG 3.94Å; F718-F730 HydrophobicContact CD2-CB 4.28Å; F718-F730 HydrophobicContact CD2-CD1 4.26Å; F718-F730 HydrophobicContact CD2-CG 4.3Å; F718-F730 HydrophobicContact CE2-CB 3.73Å; F718-F730 HydrophobicContact CE2-CD1 4.1Å; F718-F730 HydrophobicContact CE2-CD2 4.16Å; F718-F730 AromaticContact CE2-CG 3.73Å; F718-F730 HydrophobicContact CE2-CG 3.73Å; F718-F730 HydrophobicContact CZ-CB 4.32Å |
| 719 | E | 82.4 | Confident | 81.2 | Confident | 91 Ų | 91 | 58.5 Ų | 58.5 | 43% | 0.425 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.5 | -38.1 | 174.9 | -71.1 | -166.1 | 166.1 | 0 | 0 | 111.6 | I715 D716 F721 K722 L727 K746 | I715-E719 HydrophobicContact CG2-CG 4.23Å; I715-E719 WeakPolarHBondContact O-CB 3.41Å; I715-E719 WeakPolarHBondContact O-CG 3.41Å; I715-E719 PolarHBondContact O-N 3.14Å; D716-E719 PolarHBondContact O-N 3.03Å; E719-F721 VanDerWaalsContact C-N 3.26Å; E719-F721 PolarHBondContact O-N 2.85Å; E719-K722 WeakPolarHBondContact O-CA 3.45Å; E719-K722 PolarHBondContact O-N 2.78Å; E719-L727 HydrophobicContact CG-CD1 3.61Å; E719-K746 IonicContact OE1-NZ 3.42Å |
| 720 | S | 81.9 | Confident | 81.5 | Confident | 81 Ų | 81 | 58.1 Ų | 58.1 | 57% | 0.566 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.5 | -35 | 177.8 | 75.4 | 0 | 0 | 0 | 0 | 112.6 | D716 L717 | D716-S720 VanDerWaalsContact O-CB 3.24Å; D716-S720 WeakPolarHBondContact O-CB 3.48Å; D716-S720 PolarHBondContact O-N 3.21Å; D716-S720 PolarHBondContact O-OG 3.47Å; L717-S720 PolarHBondContact O-N 2.6Å; L717-S720 PolarHBondContact O-OG 2.89Å |
| 721 | F | 81.8 | Confident | 81.6 | Confident | 81 Ų | 81 | 54.7 Ų | 54.7 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 5.6 | 173.2 | -69.1 | -80.8 | 0 | 0 | 0 | 113.6 | L687 I691 L717 F718 E719 S723 | L687-F721 HydrophobicContact CB-CE2 4.31Å; L687-F721 HydrophobicContact CB-CZ 4.25Å; L687-F721 HydrophobicContact CD1-CD2 3.94Å; L687-F721 HydrophobicContact CD1-CE2 3.97Å; I691-F721 HydrophobicContact CD1-CD1 4.06Å; L717-F721 HydrophobicContact CD1-CD2 4.41Å; L717-F721 HydrophobicContact CD1-CE2 3.98Å; L717-F721 WeakPolarHBondContact O-CD2 3.49Å; L717-F721 PolarHBondContact O-N 2.95Å; F718-F721 PolarHBondContact O-N 3.18Å; E719-F721 VanDerWaalsContact C-N 3.26Å; E719-F721 PolarHBondContact O-N 2.85Å; F721-S723 VanDerWaalsContact C-N 3.28Å; F721-S723 PolarHBondContact O-N 2.82Å |
| 722 | K | 79 | Confident | 81.5 | Confident | 184 Ų | 184 | 53.5 Ų | 53.5 | 80% | 0.8 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 34.2 | -179.8 | -61.2 | -179.5 | 179.9 | 175.3 | 0 | 114.7 | F718 E719 N724 | F718-K722 PolarHBondContact O-N 3.45Å; E719-K722 WeakPolarHBondContact O-CA 3.45Å; E719-K722 PolarHBondContact O-N 2.78Å; K722-N724 PolarHBondContact O-N 3.49Å |
| 723 | S | 79.9 | Confident | 81.4 | Confident | 19 Ų | 19 | 50 Ų | 50 | 13% | 0.133 | 26% | 0.26 | C | S | . | . | trans | -94.7 | 85.1 | -175.6 | -171.6 | 0 | 0 | 0 | 0 | 112.3 | F718 F721 E725 G726 L727 | F718-S723 PolarHBondContact O-N 2.87Å; F721-S723 VanDerWaalsContact C-N 3.28Å; F721-S723 PolarHBondContact O-N 2.82Å; S723-E725 PolarHBondContact O-N 2.78Å; S723-G726 PolarHBondContact O-N 2.85Å; S723-G726 PolarHBondContact OG-N 2.79Å; S723-G726 VanDerWaalsContact OG-N 3.09Å; S723-L727 PolarHBondContact O-N 2.83Å | ||
| 724 | N | 79 | Confident | 81.2 | Confident | 85 Ų | 85 | 48.7 Ų | 48.7 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.7 | -31.3 | 174 | -67.9 | -61 | 0 | 0 | 0 | 112.4 | K722 F728 | K722-N724 PolarHBondContact O-N 3.49Å; N724-F728 WeakPolarHBondContact O-CB 3.39Å; N724-F728 PolarHBondContact O-N 2.96Å |
| 725 | E | 78.3 | Confident | 81 | Confident | 123 Ų | 123 | 48.7 Ų | 48.7 | 58% | 0.575 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -67.9 | -44 | 174.3 | -68 | -175.5 | 167.1 | 0 | 0 | 111.1 | S723 L727 F728 Y729 | S723-E725 PolarHBondContact O-N 2.78Å; E725-L727 VanDerWaalsContact C-N 3.35Å; E725-L727 PolarHBondContact O-N 3.09Å; E725-F728 PolarHBondContact O-N 2.85Å; E725-Y729 HydrophobicContact CB-CE2 4.36Å; E725-Y729 WeakPolarHBondContact O-CD2 3.35Å; E725-Y729 PolarHBondContact O-N 2.81Å |
| 726 | G | 79.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | S723 Y729 F730 | S723-G726 PolarHBondContact O-N 2.85Å; S723-G726 PolarHBondContact OG-N 2.79Å; S723-G726 VanDerWaalsContact OG-N 3.09Å; G726-Y729 PolarHBondContact O-N 2.86Å; G726-F730 WeakPolarHBondContact O-CB 3.37Å; G726-F730 PolarHBondContact O-N 2.85Å |
| 727 | L | 80.7 | Confident | 80.5 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 7% | 0.068 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60 | -44.5 | 173.9 | -107.9 | 151.9 | 0 | 0 | 0 | 112.7 | I715 F718 E719 S723 E725 L731 | I715-L727 HydrophobicContact CG1-CD2 4.27Å; I715-L727 HydrophobicContact CG2-CD2 4.4Å; F718-L727 HydrophobicContact CB-CD1 4.16Å; F718-L727 HydrophobicContact CB-CG 3.94Å; E719-L727 HydrophobicContact CG-CD1 3.61Å; S723-L727 PolarHBondContact O-N 2.83Å; E725-L727 VanDerWaalsContact C-N 3.35Å; E725-L727 PolarHBondContact O-N 3.09Å; L727-L731 HydrophobicContact CD2-CD1 3.6Å; L727-L731 HydrophobicContact CD2-CG 3.99Å; L727-L731 VanDerWaalsContact O-CB 3.24Å; L727-L731 WeakPolarHBondContact O-CB 3.35Å; L727-L731 VanDerWaalsContact O-CG 3.25Å; L727-L731 WeakPolarHBondContact O-CG 3.28Å; L727-L731 PolarHBondContact O-N 2.77Å |
| 728 | F | 82.6 | Confident | 80 | Confident | 23 Ų | 23 | 56.2 Ų | 56.2 | 10% | 0.101 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61 | -48.7 | 177.1 | 171.6 | -102.4 | 0 | 0 | 0 | 111.7 | N724 E725 G732 Y747 A750 S751 T754 Q756 E759 | N724-F728 WeakPolarHBondContact O-CB 3.39Å; N724-F728 PolarHBondContact O-N 2.96Å; E725-F728 PolarHBondContact O-N 2.85Å; F728-G732 PolarHBondContact O-N 2.85Å; F728-Y747 AromaticContact CD2-CE2 3.97Å; F728-Y747 HydrophobicContact CD2-CE2 3.97Å; F728-Y747 AromaticContact CE2-CE2 4Å; F728-Y747 HydrophobicContact CE2-CE2 4Å; F728-A750 HydrophobicContact CB-CB 4.49Å; F728-S751 WeakPolarHBondContact CE2-OG 3.29Å; F728-T754 HydrophobicContact CB-CG2 4.26Å; F728-T754 HydrophobicContact CG-CG2 4.46Å; F728-Q756 HydrophobicContact CE1-CG 4.37Å; F728-Q756 HydrophobicContact CE2-CB 4.21Å; F728-Q756 HydrophobicContact CE2-CG 4.17Å; F728-Q756 HydrophobicContact CZ-CB 4.2Å; F728-Q756 HydrophobicContact CZ-CG 3.84Å; F728-E759 HydrophobicContact CE2-CG 4.29Å; F728-E759 HydrophobicContact CZ-CG 4.48Å |
| 729 | Y | 82.3 | Confident | 79.6 | Confident | 137 Ų | 137 | 63.9 Ų | 63.9 | 54% | 0.537 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.2 | -38.9 | -179.7 | -69.2 | -60.2 | 0 | 0 | 0 | 112.8 | E725 G726 A733 | E725-Y729 HydrophobicContact CB-CE2 4.36Å; E725-Y729 WeakPolarHBondContact O-CD2 3.35Å; E725-Y729 PolarHBondContact O-N 2.81Å; G726-Y729 PolarHBondContact O-N 2.86Å; Y729-A733 PolarHBondContact O-N 2.93Å |
| 730 | F | 83.2 | Confident | 79.4 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66 | -53 | 177.1 | 170.8 | -111 | 0 | 0 | 0 | 111.9 | V699 A702 H706 T711 L714 F718 G726 G732 A733 I734 | V699-F730 HydrophobicContact CG1-CB 4.42Å; A702-F730 HydrophobicContact CB-CD2 3.65Å; A702-F730 HydrophobicContact CB-CE2 3.69Å; H706-F730 HydrophobicContact CB-CE2 4.08Å; H706-F730 HydrophobicContact CB-CZ 4.14Å; T711-F730 HydrophobicContact CG2-CE1 4.15Å; T711-F730 HydrophobicContact CG2-CZ 4.34Å; L714-F730 HydrophobicContact CB-CE1 3.9Å; L714-F730 HydrophobicContact CB-CE2 4.27Å; L714-F730 HydrophobicContact CB-CZ 3.64Å; L714-F730 HydrophobicContact CD1-CE1 4.49Å; L714-F730 HydrophobicContact CD1-CE2 3.6Å; L714-F730 HydrophobicContact CD1-CZ 3.45Å; L714-F730 VanDerWaalsContact CD1-CZ 3.45Å; L714-F730 HydrophobicContact CG-CZ 4.19Å; F718-F730 HydrophobicContact CD2-CB 4.28Å; F718-F730 HydrophobicContact CD2-CD1 4.26Å; F718-F730 HydrophobicContact CD2-CG 4.3Å; F718-F730 HydrophobicContact CE2-CB 3.73Å; F718-F730 HydrophobicContact CE2-CD1 4.1Å; F718-F730 HydrophobicContact CE2-CD2 4.16Å; F718-F730 AromaticContact CE2-CG 3.73Å; F718-F730 HydrophobicContact CE2-CG 3.73Å; F718-F730 HydrophobicContact CZ-CB 4.32Å; G726-F730 WeakPolarHBondContact O-CB 3.37Å; G726-F730 PolarHBondContact O-N 2.85Å; F730-G732 VanDerWaalsContact C-N 3.29Å; F730-G732 PolarHBondContact O-N 3.37Å; F730-A733 WeakPolarHBondContact O-CB 3.45Å; F730-A733 PolarHBondContact O-N 3.34Å; F730-A733 VanDerWaalsContact O-N 3.17Å; F730-I734 HydrophobicContact CD1-CD1 4.35Å; F730-I734 HydrophobicContact CD2-CD1 3.76Å; F730-I734 HydrophobicContact CE1-CD1 3.83Å; F730-I734 HydrophobicContact CE2-CD1 3.15Å; F730-I734 HydrophobicContact CE2-CG1 4.46Å; F730-I734 HydrophobicContact CG-CD1 4.32Å; F730-I734 HydrophobicContact CZ-CD1 3.19Å; F730-I734 PolarHBondContact O-N 3.04Å |
| 731 | L | 82.7 | Confident | 79 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.4 | -35 | 179.1 | -65.9 | 179.9 | 0 | 0 | 0 | 111.1 | I715 L727 A733 I734 V735 V743 K746 Y747 | I715-L731 HydrophobicContact CD1-CD2 4.4Å; I715-L731 HydrophobicContact CG1-CD2 4.41Å; L727-L731 HydrophobicContact CD2-CD1 3.6Å; L727-L731 HydrophobicContact CD2-CG 3.99Å; L727-L731 VanDerWaalsContact O-CB 3.24Å; L727-L731 WeakPolarHBondContact O-CB 3.35Å; L727-L731 VanDerWaalsContact O-CG 3.25Å; L727-L731 WeakPolarHBondContact O-CG 3.28Å; L727-L731 PolarHBondContact O-N 2.77Å; L731-A733 PolarHBondContact O-N 2.89Å; L731-I734 PolarHBondContact O-N 2.99Å; L731-V735 VanDerWaalsContact O-CB 3.23Å; L731-V735 WeakPolarHBondContact O-CB 3.44Å; L731-V735 PolarHBondContact O-N 2.95Å; L731-V743 HydrophobicContact CD2-CG1 4.25Å; L731-K746 HydrophobicContact CD1-CB 4.02Å; L731-Y747 HydrophobicContact CB-CD2 3.7Å; L731-Y747 HydrophobicContact CB-CG 4.4Å |
| 732 | G | 79.7 | Confident | 78.8 | Confident | 16 Ų | 16 | 63.8 Ų | 63.8 | 17% | 0.165 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.8 | -30.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F728 F730 Y747 | F728-G732 PolarHBondContact O-N 2.85Å; F730-G732 VanDerWaalsContact C-N 3.29Å; F730-G732 PolarHBondContact O-N 3.37Å; G732-Y747 VanDerWaalsContact N-CE2 3.31Å |
| 733 | A | 78.4 | Confident | 79 | Confident | 44 Ų | 44 | 55.3 Ų | 55.3 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -72 | -29.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | S703 Y729 F730 L731 | S703-A733 WeakPolarHBondContact OG-CB 3.18Å; Y729-A733 PolarHBondContact O-N 2.93Å; F730-A733 WeakPolarHBondContact O-CB 3.45Å; F730-A733 PolarHBondContact O-N 3.34Å; F730-A733 VanDerWaalsContact O-N 3.17Å; L731-A733 PolarHBondContact O-N 2.89Å |
| 734 | I | 77.3 | Confident | 79.1 | Confident | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -103.6 | -27.1 | -171 | -59.5 | 162.5 | 0 | 0 | 0 | 112.1 | H706 F730 L731 N736 F737 S738 | H706-I734 HydrophobicContact CB-CD1 3.7Å; F730-I734 HydrophobicContact CD1-CD1 4.35Å; F730-I734 HydrophobicContact CD2-CD1 3.76Å; F730-I734 HydrophobicContact CE1-CD1 3.83Å; F730-I734 HydrophobicContact CE2-CD1 3.15Å; F730-I734 HydrophobicContact CE2-CG1 4.46Å; F730-I734 HydrophobicContact CG-CD1 4.32Å; F730-I734 HydrophobicContact CZ-CD1 3.19Å; F730-I734 PolarHBondContact O-N 3.04Å; L731-I734 PolarHBondContact O-N 2.99Å; I734-N736 PolarHBondContact O-N 3.19Å; I734-F737 PolarHBondContact O-N 3.21Å; I734-S738 PolarHBondContact O-N 3.48Å |
| 735 | V | 78.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -30.6 | -171.4 | 72.9 | 0 | 0 | 0 | 0 | 113.2 | L731 F737 H744 Y747 I763 | L731-V735 VanDerWaalsContact O-CB 3.23Å; L731-V735 WeakPolarHBondContact O-CB 3.44Å; L731-V735 PolarHBondContact O-N 2.95Å; V735-F737 PolarHBondContact O-N 3.42Å; V735-H744 PolarHBondContact O-CE1 3.23Å; V735-H744 PolarHBondContact O-NE2 2.92Å; V735-H744 VanDerWaalsContact O-NE2 3.15Å; V735-Y747 HydrophobicContact CB-CD1 4.07Å; V735-Y747 HydrophobicContact CB-CE1 4.48Å; V735-Y747 HydrophobicContact CB-CG 4.14Å; V735-Y747 HydrophobicContact CG1-CD1 3.84Å; V735-Y747 HydrophobicContact CG1-CE1 3.75Å; V735-Y747 HydrophobicContact CG1-CG 4.26Å; V735-Y747 HydrophobicContact CG2-CD1 3.74Å; V735-Y747 HydrophobicContact CG2-CE1 4.48Å; V735-Y747 HydrophobicContact CG2-CG 3.97Å; V735-I763 HydrophobicContact CG1-CD1 4.03Å; V735-I763 HydrophobicContact CG2-CD1 3.71Å; V735-I763 HydrophobicContact CG2-CG1 4.32Å |
| 736 | N | 75.2 | Confident | 79.5 | Confident | 81 Ų | 81 | 49.1 Ų | 49.1 | 43% | 0.433 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -18.6 | 179.5 | -62.6 | -39.6 | 0 | 0 | 0 | 113.1 | I734 R762 | I734-N736 PolarHBondContact O-N 3.19Å; N736-R762 PolarHBondContact OD1-NH1 3.45Å; N736-R762 PolarHBondContact OD1-NH2 3.43Å |
| 737 | F | 77.8 | Confident | 79.7 | Confident | 171 Ų | 171 | 49.5 Ų | 49.5 | 75% | 0.75 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | -25.4 | -176.7 | -52.5 | -73.7 | 0 | 0 | 0 | 112.6 | I734 V735 | I734-F737 PolarHBondContact O-N 3.21Å; V735-F737 PolarHBondContact O-N 3.42Å |
| 738 | S | 74.4 | Confident | 79.7 | Confident | 24 Ų | 24 | 48.9 Ų | 48.9 | 17% | 0.168 | 25% | 0.246 | C | C | . | . | trans | -68 | 140.7 | 176.7 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | I734 D740 H744 | I734-S738 PolarHBondContact O-N 3.48Å; S738-D740 WeakPolarHBondContact OG-CB 3.4Å; S738-D740 PolarHBondContact OG-N 3.01Å; S738-H744 PolarHBondContact O-NE2 3.29Å | ||
| 739 | Q | 76.2 | Confident | 79.7 | Confident | 162 Ų | 162 | 50.1 Ų | 50.1 | 76% | 0.757 | 25% | 0.251 | S | S | * | . | trans | -102 | 0.3 | 166 | -62.6 | -170.4 | 14.8 | 0 | 0 | 112.4 | P741 | Q739-P741 VanDerWaalsContact O-CD 3.23Å; Q739-P741 WeakPolarHBondContact O-CD 3.4Å | ||
| 740 | D | 77.2 | Confident | 79.6 | Confident | 77 Ų | 77 | 44 Ų | 44 | 41% | 0.412 | 23% | 0.23 | S | C | . | . | trans | -71.3 | 114.7 | -177.3 | -175.6 | -8.7 | 0 | 0 | 0 | 110.4 | S738 E742 V743 H744 | S738-D740 WeakPolarHBondContact OG-CB 3.4Å; S738-D740 PolarHBondContact OG-N 3.01Å; D740-E742 PolarHBondContact O-N 3.48Å; D740-E742 VanDerWaalsContact O-N 3.14Å; D740-E742 VanDerWaalsContact OD1-CB 3.28Å; D740-E742 WeakPolarHBondContact OD1-CB 3.35Å; D740-E742 PolarHBondContact OD1-N 2.95Å; D740-V743 HydrophobicContact CB-CB 4.15Å; D740-V743 HydrophobicContact CB-CG2 3.87Å; D740-V743 PolarHBondContact O-N 3.39Å; D740-V743 VanDerWaalsContact O-N 3.1Å; D740-H744 PolarHBondContact O-CD2 2.99Å; D740-H744 PolarHBondContact O-N 3.47Å | ||
| 741 | P | 75.1 | Confident | 79.6 | Confident | 71 Ų | 71 | 44 Ų | 44 | 46% | 0.461 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.2 | -29.7 | 179.5 | -22.9 | 34.2 | 0 | 0 | 0 | 113.1 | Q739 F745 | Q739-P741 VanDerWaalsContact O-CD 3.23Å; Q739-P741 WeakPolarHBondContact O-CD 3.4Å; P741-F745 VanDerWaalsContact O-CB 3.3Å; P741-F745 WeakPolarHBondContact O-CB 3.21Å; P741-F745 PolarHBondContact O-N 2.8Å |
| 742 | E | 77.7 | Confident | 79.4 | Confident | 104 Ų | 104 | 46 Ų | 46 | 49% | 0.486 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.2 | -43.2 | 178.5 | -165.5 | 91.9 | -147 | 0 | 0 | 110.8 | D740 F745 K746 | D740-E742 PolarHBondContact O-N 3.48Å; D740-E742 VanDerWaalsContact O-N 3.14Å; D740-E742 VanDerWaalsContact OD1-CB 3.28Å; D740-E742 WeakPolarHBondContact OD1-CB 3.35Å; D740-E742 PolarHBondContact OD1-N 2.95Å; E742-F745 PolarHBondContact O-N 3.24Å; E742-K746 VanDerWaalsContact O-CB 3.29Å; E742-K746 WeakPolarHBondContact O-CB 3.28Å; E742-K746 VanDerWaalsContact O-CG 3.26Å; E742-K746 WeakPolarHBondContact O-CG 3.4Å; E742-K746 PolarHBondContact O-N 3.05Å |
| 743 | V | 82 | Confident | 79.3 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 178.2 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | T711 L731 D740 K746 Y747 | T711-V743 HydrophobicContact CG2-CG2 4.24Å; L731-V743 HydrophobicContact CD2-CG1 4.25Å; D740-V743 HydrophobicContact CB-CB 4.15Å; D740-V743 HydrophobicContact CB-CG2 3.87Å; D740-V743 PolarHBondContact O-N 3.39Å; D740-V743 VanDerWaalsContact O-N 3.1Å; V743-K746 PolarHBondContact O-N 3.08Å; V743-Y747 VanDerWaalsContact O-CB 3.27Å; V743-Y747 WeakPolarHBondContact O-CB 3.43Å; V743-Y747 PolarHBondContact O-N 3.11Å |
| 744 | H | 81.6 | Confident | 79.3 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64 | -42.1 | 177.6 | -76.3 | -97.8 | 0 | 0 | 0 | 111.5 | V735 S738 D740 Y747 I748 S767 | V735-H744 PolarHBondContact O-CE1 3.23Å; V735-H744 PolarHBondContact O-NE2 2.92Å; V735-H744 VanDerWaalsContact O-NE2 3.15Å; S738-H744 PolarHBondContact O-NE2 3.29Å; D740-H744 PolarHBondContact O-CD2 2.99Å; D740-H744 PolarHBondContact O-N 3.47Å; H744-Y747 PolarHBondContact O-N 3.02Å; H744-I748 VanDerWaalsContact O-CG1 3.29Å; H744-I748 WeakPolarHBondContact O-CG1 3.38Å; H744-I748 PolarHBondContact O-N 2.87Å; H744-S767 PolarHBondContact CE1-OG 3.34Å; H744-S767 WeakPolarHBondContact ND1-CB 3.37Å; H744-S767 PolarHBondContact ND1-OG 3.14Å |
| 745 | F | 83.4 | Confident | 79.2 | Confident | 31 Ų | 31 | 55.8 Ų | 55.8 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66 | -47.2 | 177.6 | 179.4 | -101.7 | 0 | 0 | 0 | 112.3 | P741 E742 Y747 I748 Q749 | P741-F745 VanDerWaalsContact O-CB 3.3Å; P741-F745 WeakPolarHBondContact O-CB 3.21Å; P741-F745 PolarHBondContact O-N 2.8Å; E742-F745 PolarHBondContact O-N 3.24Å; F745-Y747 VanDerWaalsContact C-N 3.29Å; F745-Y747 PolarHBondContact O-N 3.35Å; F745-I748 PolarHBondContact O-N 3.13Å; F745-Q749 WeakPolarHBondContact O-CB 3.45Å; F745-Q749 PolarHBondContact O-N 3.08Å |
| 746 | K | 83 | Confident | 79.1 | Confident | 63 Ų | 63 | 60.1 Ų | 60.1 | 27% | 0.274 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.1 | -35.5 | 176.5 | -74.3 | -78.2 | -170.4 | 157 | 0 | 111.8 | E719 L731 E742 V743 Q749 A750 | E719-K746 IonicContact OE1-NZ 3.42Å; L731-K746 HydrophobicContact CD1-CB 4.02Å; E742-K746 VanDerWaalsContact O-CB 3.29Å; E742-K746 WeakPolarHBondContact O-CB 3.28Å; E742-K746 VanDerWaalsContact O-CG 3.26Å; E742-K746 WeakPolarHBondContact O-CG 3.4Å; E742-K746 PolarHBondContact O-N 3.05Å; V743-K746 PolarHBondContact O-N 3.08Å; K746-Q749 PolarHBondContact O-N 3.12Å; K746-A750 WeakPolarHBondContact O-CB 3.43Å; K746-A750 PolarHBondContact O-N 3.31Å |
| 747 | Y | 84.1 | Confident | 79.1 | Confident | 7 Ų | 7 | 59.2 Ų | 59.2 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 173.3 | -175.5 | -114.5 | 0 | 0 | 0 | 112.4 | F728 L731 G732 V735 V743 H744 F745 Q749 A750 S751 E759 I763 | F728-Y747 AromaticContact CD2-CE2 3.97Å; F728-Y747 HydrophobicContact CD2-CE2 3.97Å; F728-Y747 AromaticContact CE2-CE2 4Å; F728-Y747 HydrophobicContact CE2-CE2 4Å; L731-Y747 HydrophobicContact CB-CD2 3.7Å; L731-Y747 HydrophobicContact CB-CG 4.4Å; G732-Y747 VanDerWaalsContact N-CE2 3.31Å; V735-Y747 HydrophobicContact CB-CD1 4.07Å; V735-Y747 HydrophobicContact CB-CE1 4.48Å; V735-Y747 HydrophobicContact CB-CG 4.14Å; V735-Y747 HydrophobicContact CG1-CD1 3.84Å; V735-Y747 HydrophobicContact CG1-CE1 3.75Å; V735-Y747 HydrophobicContact CG1-CG 4.26Å; V735-Y747 HydrophobicContact CG2-CD1 3.74Å; V735-Y747 HydrophobicContact CG2-CE1 4.48Å; V735-Y747 HydrophobicContact CG2-CG 3.97Å; V743-Y747 VanDerWaalsContact O-CB 3.27Å; V743-Y747 WeakPolarHBondContact O-CB 3.43Å; V743-Y747 PolarHBondContact O-N 3.11Å; H744-Y747 PolarHBondContact O-N 3.02Å; F745-Y747 VanDerWaalsContact C-N 3.29Å; F745-Y747 PolarHBondContact O-N 3.35Å; Y747-Q749 VanDerWaalsContact C-N 3.28Å; Y747-Q749 PolarHBondContact O-N 3.15Å; Y747-A750 PolarHBondContact O-N 2.88Å; Y747-S751 VanDerWaalsContact O-CB 3.25Å; Y747-S751 WeakPolarHBondContact O-CB 3.31Å; Y747-S751 PolarHBondContact O-N 3.02Å; Y747-S751 PolarHBondContact O-OG 3Å; Y747-E759 HydrophobicContact CE1-CG 3.83Å; Y747-E759 WeakPolarHBondContact OH-CG 3.42Å; Y747-E759 PolarHBondContact OH-OE1 2.85Å; Y747-I763 HydrophobicContact CD1-CD1 4.48Å; Y747-I763 HydrophobicContact CD1-CG1 4.33Å |
| 748 | I | 81.8 | Confident | 79 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 172.9 | -69.7 | 164.4 | 0 | 0 | 0 | 109.9 | H744 F745 S751 C752 V760 I763 V775 F778 | H744-I748 VanDerWaalsContact O-CG1 3.29Å; H744-I748 WeakPolarHBondContact O-CG1 3.38Å; H744-I748 PolarHBondContact O-N 2.87Å; F745-I748 PolarHBondContact O-N 3.13Å; I748-S751 PolarHBondContact O-N 3.48Å; I748-C752 WeakPolarHBondContact O-CB 3.23Å; I748-C752 PolarHBondContact O-N 2.88Å; I748-C752 PolarHBondContact O-SG 3.46Å; I748-C752 VanDerWaalsContact O-SG 3.35Å; I748-V760 HydrophobicContact CG2-CG1 4.44Å; I748-I763 HydrophobicContact CD1-CG2 4.05Å; I748-I763 HydrophobicContact CG1-CG2 3.54Å; I748-V775 HydrophobicContact CD1-CG1 4.34Å; I748-V775 HydrophobicContact CD1-CG2 3.97Å; I748-F778 HydrophobicContact CG2-CD1 4.22Å; I748-F778 HydrophobicContact CG2-CE1 3.87Å |
| 749 | Q | 81.6 | Confident | 79.2 | Confident | 48 Ų | 48 | 60.1 Ų | 60.1 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 178.3 | -170 | 179.7 | 29.3 | 0 | 0 | 112.4 | F745 K746 Y747 R753 | F745-Q749 WeakPolarHBondContact O-CB 3.45Å; F745-Q749 PolarHBondContact O-N 3.08Å; K746-Q749 PolarHBondContact O-N 3.12Å; Y747-Q749 VanDerWaalsContact C-N 3.28Å; Y747-Q749 PolarHBondContact O-N 3.15Å; Q749-R753 WeakPolarHBondContact O-CB 3.45Å; Q749-R753 VanDerWaalsContact O-CG 3.31Å; Q749-R753 WeakPolarHBondContact O-CG 3.26Å; Q749-R753 PolarHBondContact O-N 3.22Å |
| 750 | A | 81.1 | Confident | 79.3 | Confident | 10 Ų | 10 | 52.4 Ų | 52.4 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | F728 K746 Y747 R753 T754 | F728-A750 HydrophobicContact CB-CB 4.49Å; K746-A750 WeakPolarHBondContact O-CB 3.43Å; K746-A750 PolarHBondContact O-N 3.31Å; Y747-A750 PolarHBondContact O-N 2.88Å; A750-R753 PolarHBondContact O-N 2.99Å; A750-T754 WeakPolarHBondContact O-CG2 3.41Å; A750-T754 PolarHBondContact O-N 3.44Å; A750-T754 PolarHBondContact O-OG1 3.45Å |
| 751 | S | 81.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 178.8 | -58.2 | 0 | 0 | 0 | 0 | 112.6 | F728 Y747 I748 T754 G755 Q756 | F728-S751 WeakPolarHBondContact CE2-OG 3.29Å; Y747-S751 VanDerWaalsContact O-CB 3.25Å; Y747-S751 WeakPolarHBondContact O-CB 3.31Å; Y747-S751 PolarHBondContact O-N 3.02Å; Y747-S751 PolarHBondContact O-OG 3Å; I748-S751 PolarHBondContact O-N 3.48Å; S751-T754 WeakPolarHBondContact CA-OG1 3.35Å; S751-T754 PolarHBondContact O-OG1 3.24Å; S751-G755 PolarHBondContact O-N 3.29Å; S751-Q756 PolarHBondContact O-N 2.81Å |
| 752 | C | 78.8 | Confident | 79.4 | Confident | 40 Ų | 40 | 50.6 Ų | 50.6 | 27% | 0.27 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.9 | -40 | 173.1 | -74.2 | 0 | 0 | 0 | 0 | 111.8 | I748 G755 | I748-C752 WeakPolarHBondContact O-CB 3.23Å; I748-C752 PolarHBondContact O-N 2.88Å; I748-C752 PolarHBondContact O-SG 3.46Å; I748-C752 VanDerWaalsContact O-SG 3.35Å; C752-G755 PolarHBondContact O-N 2.98Å |
| 753 | R | 77.6 | Confident | 79.5 | Confident | 174 Ų | 174 | 45.7 Ų | 45.7 | 66% | 0.657 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -73.8 | -31.4 | -179.4 | -74.9 | 177.6 | 175.6 | -177.6 | -0.5 | 113.7 | Q749 A750 G755 | Q749-R753 WeakPolarHBondContact O-CB 3.45Å; Q749-R753 VanDerWaalsContact O-CG 3.31Å; Q749-R753 WeakPolarHBondContact O-CG 3.26Å; Q749-R753 PolarHBondContact O-N 3.22Å; A750-R753 PolarHBondContact O-N 2.99Å; R753-G755 VanDerWaalsContact C-N 3.26Å |
| 754 | T | 79.4 | Confident | 79.2 | Confident | 48 Ų | 48 | 45.4 Ų | 45.4 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -3.4 | 173.7 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | F728 A750 S751 | F728-T754 HydrophobicContact CB-CG2 4.26Å; F728-T754 HydrophobicContact CG-CG2 4.46Å; A750-T754 WeakPolarHBondContact O-CG2 3.41Å; A750-T754 PolarHBondContact O-N 3.44Å; A750-T754 PolarHBondContact O-OG1 3.45Å; S751-T754 WeakPolarHBondContact CA-OG1 3.35Å; S751-T754 PolarHBondContact O-OG1 3.24Å |
| 755 | G | 74.2 | Confident | 78.9 | Confident | 50 Ų | 50 | 50.4 Ų | 50.4 | 52% | 0.515 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | 13.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S751 C752 R753 I757 | S751-G755 PolarHBondContact O-N 3.29Å; C752-G755 PolarHBondContact O-N 2.98Å; R753-G755 VanDerWaalsContact C-N 3.26Å; G755-I757 PolarHBondContact O-N 2.83Å |
| 756 | Q | 78.2 | Confident | 78.6 | Confident | 91 Ų | 91 | 52.7 Ų | 52.7 | 43% | 0.425 | 26% | 0.256 | S | S | . | . | trans | -85.4 | 67.3 | -176 | -63.6 | -68.8 | -5 | 0 | 0 | 112.1 | F728 S751 K758 E759 V760 | F728-Q756 HydrophobicContact CE1-CG 4.37Å; F728-Q756 HydrophobicContact CE2-CB 4.21Å; F728-Q756 HydrophobicContact CE2-CG 4.17Å; F728-Q756 HydrophobicContact CZ-CB 4.2Å; F728-Q756 HydrophobicContact CZ-CG 3.84Å; S751-Q756 PolarHBondContact O-N 2.81Å; Q756-K758 VanDerWaalsContact C-N 3.31Å; Q756-K758 PolarHBondContact O-N 3.34Å; Q756-E759 HydrophobicContact CB-CB 4.23Å; Q756-E759 WeakPolarHBondContact O-CB 3.43Å; Q756-E759 PolarHBondContact O-N 3.37Å; Q756-E759 VanDerWaalsContact O-N 3.09Å; Q756-V760 PolarHBondContact O-N 2.82Å | ||
| 757 | I | 73.8 | Confident | 77.9 | Confident | 62 Ų | 62 | 50.1 Ų | 50.1 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.5 | -35.8 | -174.1 | -57.8 | 175.2 | 0 | 0 | 0 | 113 | G755 E759 V760 E761 P785 | G755-I757 PolarHBondContact O-N 2.83Å; I757-E759 PolarHBondContact O-N 3.28Å; I757-V760 WeakPolarHBondContact O-CB 2.96Å; I757-V760 PolarHBondContact O-N 3.27Å; I757-E761 PolarHBondContact O-N 3.13Å; I757-P785 HydrophobicContact CD1-CG 4.07Å |
| 758 | K | 76 | Confident | 77.3 | Confident | 174 Ų | 174 | 54.7 Ų | 54.7 | 76% | 0.757 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.5 | -31.2 | 177.9 | -68.2 | -175 | 178.4 | -178.8 | 0 | 112.7 | Q756 E761 R762 | Q756-K758 VanDerWaalsContact C-N 3.31Å; Q756-K758 PolarHBondContact O-N 3.34Å; K758-E761 WeakPolarHBondContact O-CB 3.14Å; K758-E761 PolarHBondContact O-N 2.88Å; K758-R762 PolarHBondContact O-N 3.37Å |
| 759 | E | 78.8 | Confident | 77 | Confident | 40 Ų | 40 | 56.6 Ų | 56.6 | 19% | 0.187 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -78.5 | -30.7 | -179.3 | -168.7 | 57.2 | -165.6 | 0 | 0 | 111.5 | F728 Y747 Q756 I757 R762 I763 | F728-E759 HydrophobicContact CE2-CG 4.29Å; F728-E759 HydrophobicContact CZ-CG 4.48Å; Y747-E759 HydrophobicContact CE1-CG 3.83Å; Y747-E759 WeakPolarHBondContact OH-CG 3.42Å; Y747-E759 PolarHBondContact OH-OE1 2.85Å; Q756-E759 HydrophobicContact CB-CB 4.23Å; Q756-E759 WeakPolarHBondContact O-CB 3.43Å; Q756-E759 PolarHBondContact O-N 3.37Å; Q756-E759 VanDerWaalsContact O-N 3.09Å; I757-E759 PolarHBondContact O-N 3.28Å; E759-R762 VanDerWaalsContact CD-NE 3.26Å; E759-R762 PolarHBondContact O-N 3.46Å; E759-R762 IonicContact OE1-CZ 2.99Å; E759-R762 IonicContact OE1-NE 3.48Å; E759-R762 PolarHBondContact OE1-NE 3.36Å; E759-R762 IonicContact OE1-NH2 3.72Å; E759-R762 PolarHBondContact OE1-NH2 3.3Å; E759-R762 WeakPolarHBondContact OE2-CD 3.08Å; E759-R762 IonicContact OE2-NE 3.68Å; E759-R762 PolarHBondContact OE2-NE 3.41Å; E759-R762 VanDerWaalsContact OE2-NE 3.09Å; E759-I763 PolarHBondContact O-N 3.01Å |
| 760 | V | 78.2 | Confident | 76.8 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 167.7 | -176.4 | 0 | 0 | 0 | 0 | 110.7 | I748 Q756 I757 R762 I763 C764 L779 L784 | I748-V760 HydrophobicContact CG2-CG1 4.44Å; Q756-V760 PolarHBondContact O-N 2.82Å; I757-V760 WeakPolarHBondContact O-CB 2.96Å; I757-V760 PolarHBondContact O-N 3.27Å; V760-R762 VanDerWaalsContact C-N 3.33Å; V760-R762 PolarHBondContact O-N 3.39Å; V760-I763 WeakPolarHBondContact O-CG2 3.23Å; V760-I763 PolarHBondContact O-N 2.95Å; V760-C764 WeakPolarHBondContact O-CB 3.2Å; V760-C764 PolarHBondContact O-N 3Å; V760-C764 VanDerWaalsContact O-N 3.14Å; V760-C764 PolarHBondContact O-SG 3.21Å; V760-L779 HydrophobicContact CG1-CD2 4.06Å; V760-L784 HydrophobicContact CG1-CD1 4.47Å |
| 761 | E | 73.8 | Confident | 76.6 | Confident | 37 Ų | 37 | 57.8 Ų | 57.8 | 17% | 0.173 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 173.3 | -170.1 | -162.8 | 151.5 | 0 | 0 | 111.5 | I757 K758 R765 L788 P789 I792 | I757-E761 PolarHBondContact O-N 3.13Å; K758-E761 WeakPolarHBondContact O-CB 3.14Å; K758-E761 PolarHBondContact O-N 2.88Å; E761-R765 PolarHBondContact O-N 3.2Å; E761-R765 VanDerWaalsContact O-N 3.11Å; E761-R765 IonicContact OE1-CZ 2.72Å; E761-R765 IonicContact OE1-NH1 3.02Å; E761-R765 PolarHBondContact OE1-NH1 2.87Å; E761-R765 IonicContact OE1-NH2 2.8Å; E761-R765 PolarHBondContact OE1-NH2 3.45Å; E761-L788 VanDerWaalsContact CD-CD2 3.46Å; E761-L788 HydrophobicContact CG-CD2 4.32Å; E761-L788 HydrophobicContact CG-CG 4.27Å; E761-L788 WeakPolarHBondContact OE1-CD2 3.48Å; E761-P789 HydrophobicContact CB-CG 4.08Å; E761-P789 HydrophobicContact CG-CG 4.44Å; E761-I792 HydrophobicContact CG-CD1 3.43Å; E761-I792 VanDerWaalsContact CG-CD1 3.43Å |
| 762 | R | 81.6 | Confident | 76.2 | Confident | 72 Ų | 72 | 59.8 Ų | 59.8 | 27% | 0.272 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.9 | -49.7 | 179.4 | -168.1 | -169.5 | 72.4 | 79.4 | 0.5 | 111.7 | N736 K758 E759 V760 C764 R765 V766 | N736-R762 PolarHBondContact OD1-NH1 3.45Å; N736-R762 PolarHBondContact OD1-NH2 3.43Å; K758-R762 PolarHBondContact O-N 3.37Å; E759-R762 VanDerWaalsContact CD-NE 3.26Å; E759-R762 PolarHBondContact O-N 3.46Å; E759-R762 IonicContact OE1-CZ 2.99Å; E759-R762 IonicContact OE1-NE 3.48Å; E759-R762 PolarHBondContact OE1-NE 3.36Å; E759-R762 IonicContact OE1-NH2 3.72Å; E759-R762 PolarHBondContact OE1-NH2 3.3Å; E759-R762 WeakPolarHBondContact OE2-CD 3.08Å; E759-R762 IonicContact OE2-NE 3.68Å; E759-R762 PolarHBondContact OE2-NE 3.41Å; E759-R762 VanDerWaalsContact OE2-NE 3.09Å; V760-R762 VanDerWaalsContact C-N 3.33Å; V760-R762 PolarHBondContact O-N 3.39Å; R762-C764 VanDerWaalsContact C-N 3.34Å; R762-C764 PolarHBondContact O-N 3.27Å; R762-R765 PolarHBondContact O-N 3.42Å; R762-R765 VanDerWaalsContact O-N 3.09Å; R762-V766 HydrophobicContact CG-CG2 4.38Å; R762-V766 WeakPolarHBondContact O-CG2 3.46Å; R762-V766 PolarHBondContact O-N 3.22Å |
| 763 | I | 79.1 | Confident | 76 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.6 | -35.5 | -175.3 | -159.9 | 68.7 | 0 | 0 | 0 | 111.7 | V735 Y747 I748 E759 V760 R765 V766 S767 | V735-I763 HydrophobicContact CG1-CD1 4.03Å; V735-I763 HydrophobicContact CG2-CD1 3.71Å; V735-I763 HydrophobicContact CG2-CG1 4.32Å; Y747-I763 HydrophobicContact CD1-CD1 4.48Å; Y747-I763 HydrophobicContact CD1-CG1 4.33Å; I748-I763 HydrophobicContact CD1-CG2 4.05Å; I748-I763 HydrophobicContact CG1-CG2 3.54Å; E759-I763 PolarHBondContact O-N 3.01Å; V760-I763 WeakPolarHBondContact O-CG2 3.23Å; V760-I763 PolarHBondContact O-N 2.95Å; I763-R765 VanDerWaalsContact C-N 3.27Å; I763-R765 PolarHBondContact O-N 2.92Å; I763-V766 PolarHBondContact O-N 2.87Å; I763-S767 VanDerWaalsContact O-CB 3.27Å; I763-S767 WeakPolarHBondContact O-CB 3.13Å; I763-S767 PolarHBondContact O-N 3.04Å |
| 764 | C | 75.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.1 | -30 | 171.5 | -71.4 | 0 | 0 | 0 | 0 | 113.3 | V760 R762 Y770 V793 | V760-C764 WeakPolarHBondContact O-CB 3.2Å; V760-C764 PolarHBondContact O-N 3Å; V760-C764 VanDerWaalsContact O-N 3.14Å; V760-C764 PolarHBondContact O-SG 3.21Å; R762-C764 VanDerWaalsContact C-N 3.34Å; R762-C764 PolarHBondContact O-N 3.27Å; C764-Y770 PolarHBondContact O-OH 2.92Å; C764-V793 HydrophobicContact CB-CG2 3.68Å |
| 765 | R | 75.3 | Confident | 76.2 | Confident | 109 Ų | 109 | 58.6 Ų | 58.6 | 41% | 0.411 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -81 | -26.3 | 177.4 | -162.8 | 174.9 | -78.3 | 151.5 | 4.9 | 114 | E761 R762 I763 I792 R796 | E761-R765 PolarHBondContact O-N 3.2Å; E761-R765 VanDerWaalsContact O-N 3.11Å; E761-R765 IonicContact OE1-CZ 2.72Å; E761-R765 IonicContact OE1-NH1 3.02Å; E761-R765 PolarHBondContact OE1-NH1 2.87Å; E761-R765 IonicContact OE1-NH2 2.8Å; E761-R765 PolarHBondContact OE1-NH2 3.45Å; R762-R765 PolarHBondContact O-N 3.42Å; R762-R765 VanDerWaalsContact O-N 3.09Å; I763-R765 VanDerWaalsContact C-N 3.27Å; I763-R765 PolarHBondContact O-N 2.92Å; R765-I792 HydrophobicContact CB-CD1 4.25Å; R765-I792 HydrophobicContact CB-CG2 3.58Å; R765-I792 HydrophobicContact CG-CG2 3.76Å; R765-R796 PolarHBondContact O-NE 3Å; R765-R796 PolarHBondContact O-NH1 3.32Å; R765-R796 PolarHBondContact O-NH2 3.41Å |
| 766 | V | 76.1 | Confident | 76.4 | Confident | 79 Ų | 79 | 57.8 Ų | 57.8 | 48% | 0.479 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -108.8 | -44.6 | -169.7 | 179.7 | 0 | 0 | 0 | 0 | 111.9 | R762 I763 R796 | R762-V766 HydrophobicContact CG-CG2 4.38Å; R762-V766 WeakPolarHBondContact O-CG2 3.46Å; R762-V766 PolarHBondContact O-N 3.22Å; I763-V766 PolarHBondContact O-N 2.87Å; V766-R796 PolarHBondContact O-NH1 2.85Å; V766-R796 PolarHBondContact O-NH2 3.46Å |
| 767 | S | 69.9 | Low | 76.5 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 6% | 0.056 | 28% | 0.275 | C | S | . | . | trans | -79.2 | 140.5 | -172.7 | -178.8 | 0 | 0 | 0 | 0 | 112.6 | H744 I763 C769 Y770 R796 | H744-S767 PolarHBondContact CE1-OG 3.34Å; H744-S767 WeakPolarHBondContact ND1-CB 3.37Å; H744-S767 PolarHBondContact ND1-OG 3.14Å; I763-S767 VanDerWaalsContact O-CB 3.27Å; I763-S767 WeakPolarHBondContact O-CB 3.13Å; I763-S767 PolarHBondContact O-N 3.04Å; S767-C769 PolarHBondContact OG-N 3.27Å; S767-Y770 WeakPolarHBondContact O-CE1 3.22Å; S767-R796 PolarHBondContact O-NH1 3.33Å; S767-R796 VanDerWaalsContact O-NH1 3.08Å | ||
| 768 | N | 71.2 | Confident | 76.9 | Confident | 103 Ų | 103 | 56.9 Ų | 56.9 | 55% | 0.551 | 27% | 0.271 | S | S | * | . | trans | -114 | 1.7 | 171.5 | -65.5 | -15.9 | 0 | 0 | 0 | 112 | R796 | N768-R796 VanDerWaalsContact OD1-CZ 3.27Å; N768-R796 PolarHBondContact OD1-NH1 3.05Å; N768-R796 PolarHBondContact OD1-NH2 2.86Å | ||
| 769 | C | 74.4 | Confident | 77.1 | Confident | 41 Ų | 41 | 48.9 Ų | 48.9 | 28% | 0.277 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -95.4 | -15.9 | -166.7 | -51.2 | 0 | 0 | 0 | 0 | 112.9 | S767 | S767-C769 PolarHBondContact OG-N 3.27Š|
| 770 | Y | 77.6 | Confident | 76.9 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -76.8 | 149.2 | 171.1 | 62.4 | -101.1 | 0 | 0 | 0 | 110.1 | C764 S767 P772 V775 V793 | C764-Y770 PolarHBondContact O-OH 2.92Å; S767-Y770 WeakPolarHBondContact O-CE1 3.22Å; Y770-P772 HydrophobicContact CE2-CB 4.36Å; Y770-P772 WeakPolarHBondContact O-CD 3.27Å; Y770-P772 VanDerWaalsContact O-N 3.12Å; Y770-V775 HydrophobicContact CD2-CB 3.51Å; Y770-V775 HydrophobicContact CD2-CG1 3.99Å; Y770-V775 HydrophobicContact CD2-CG2 3.27Å; Y770-V775 HydrophobicContact CE2-CB 3.73Å; Y770-V775 HydrophobicContact CE2-CG1 3.82Å; Y770-V775 HydrophobicContact CE2-CG2 3.99Å; Y770-V775 HydrophobicContact CG-CB 4.38Å; Y770-V775 HydrophobicContact CG-CG2 3.71Å; Y770-V793 VanDerWaalsContact OH-CG2 3.27Å; Y770-V793 WeakPolarHBondContact OH-CG2 3.22Å |
| 771 | D | 77.3 | Confident | 76.9 | Confident | 79 Ų | 79 | 58.8 Ų | 58.8 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | trans | -63.8 | 111.2 | 170.8 | 173.8 | -4 | 0 | 0 | 0 | 109.5 | E773 R774 V775 | D771-E773 PolarHBondContact O-N 3.5Å; D771-E773 PolarHBondContact OD1-N 3.41Å; D771-R774 HydrophobicContact CB-CB 3.85Å; D771-R774 PolarHBondContact O-N 2.97Å; D771-R774 PolarHBondContact OD1-N 3.24Å; D771-R774 WeakPolarHBondContact OD2-CB 3.07Å; D771-V775 PolarHBondContact O-N 2.85Å | ||
| 772 | P | 73.9 | Confident | 76.9 | Confident | 42 Ų | 42 | 59.1 Ų | 59.1 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.5 | -24.4 | -173.3 | 27.1 | -33.2 | 0 | 0 | 0 | 112 | Y770 K776 F797 | Y770-P772 HydrophobicContact CE2-CB 4.36Å; Y770-P772 WeakPolarHBondContact O-CD 3.27Å; Y770-P772 VanDerWaalsContact O-N 3.12Å; P772-K776 WeakPolarHBondContact O-CB 3.3Å; P772-K776 PolarHBondContact O-N 3.06Å; P772-F797 HydrophobicContact CB-CD2 4.2Å; P772-F797 HydrophobicContact CB-CE2 4.15Å |
| 773 | E | 74.3 | Confident | 76.2 | Confident | 112 Ų | 112 | 63.9 Ų | 63.9 | 52% | 0.523 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -76.8 | -45.2 | 174.2 | -64.7 | -145.4 | 119.4 | 0 | 0 | 111.9 | D771 V775 K776 N777 | D771-E773 PolarHBondContact O-N 3.5Å; D771-E773 PolarHBondContact OD1-N 3.41Å; E773-V775 VanDerWaalsContact C-N 3.3Å; E773-V775 PolarHBondContact O-N 2.87Å; E773-K776 PolarHBondContact O-N 3.3Å; E773-K776 IonicContact OE1-NZ 3.82Å; E773-K776 PolarHBondContact OE1-NZ 3.28Å; E773-K776 VanDerWaalsContact OE1-NZ 3.16Å; E773-N777 VanDerWaalsContact O-CB 3.29Å; E773-N777 WeakPolarHBondContact O-CB 3.16Å; E773-N777 PolarHBondContact O-N 2.73Å; E773-N777 PolarHBondContact O-ND2 2.99Å |
| 774 | R | 78.8 | Confident | 75.8 | Confident | 123 Ų | 123 | 65.2 Ų | 65.2 | 46% | 0.464 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 176.1 | -170.6 | 174.9 | 177.8 | -175.9 | -2.2 | 111.5 | D771 F778 | D771-R774 HydrophobicContact CB-CB 3.85Å; D771-R774 PolarHBondContact O-N 2.97Å; D771-R774 PolarHBondContact OD1-N 3.24Å; D771-R774 WeakPolarHBondContact OD2-CB 3.07Å; R774-F778 VanDerWaalsContact O-CB 3.25Å; R774-F778 WeakPolarHBondContact O-CB 3.37Å; R774-F778 PolarHBondContact O-N 3.07Å |
| 775 | V | 82.4 | Confident | 75.5 | Confident | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.012 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -74 | -43.9 | 176.1 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | I748 Y770 D771 E773 N777 F778 L779 | I748-V775 HydrophobicContact CD1-CG1 4.34Å; I748-V775 HydrophobicContact CD1-CG2 3.97Å; Y770-V775 HydrophobicContact CD2-CB 3.51Å; Y770-V775 HydrophobicContact CD2-CG1 3.99Å; Y770-V775 HydrophobicContact CD2-CG2 3.27Å; Y770-V775 HydrophobicContact CE2-CB 3.73Å; Y770-V775 HydrophobicContact CE2-CG1 3.82Å; Y770-V775 HydrophobicContact CE2-CG2 3.99Å; Y770-V775 HydrophobicContact CG-CB 4.38Å; Y770-V775 HydrophobicContact CG-CG2 3.71Å; D771-V775 PolarHBondContact O-N 2.85Å; E773-V775 VanDerWaalsContact C-N 3.3Å; E773-V775 PolarHBondContact O-N 2.87Å; V775-N777 VanDerWaalsContact C-N 3.26Å; V775-N777 PolarHBondContact O-N 2.82Å; V775-F778 PolarHBondContact O-N 3.09Å; V775-L779 HydrophobicContact CG1-CD1 3.69Å; V775-L779 HydrophobicContact CG1-CG 4.08Å; V775-L779 WeakPolarHBondContact O-CB 3.11Å; V775-L779 WeakPolarHBondContact O-CG 3.18Å; V775-L779 PolarHBondContact O-N 2.88Å |
| 776 | K | 77.8 | Confident | 75.3 | Confident | 33 Ų | 33 | 67.9 Ų | 67.9 | 14% | 0.143 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -54.4 | -42.8 | 172.6 | 175.2 | -174.1 | 70.5 | -170.2 | 0 | 111.3 | P772 E773 K780 L790 | P772-K776 WeakPolarHBondContact O-CB 3.3Å; P772-K776 PolarHBondContact O-N 3.06Å; E773-K776 PolarHBondContact O-N 3.3Å; E773-K776 IonicContact OE1-NZ 3.82Å; E773-K776 PolarHBondContact OE1-NZ 3.28Å; E773-K776 VanDerWaalsContact OE1-NZ 3.16Å; K776-K780 HydrophobicContact CG-CD 4.46Å; K776-K780 WeakPolarHBondContact O-CB 3.46Å; K776-K780 VanDerWaalsContact O-CG 3.28Å; K776-K780 WeakPolarHBondContact O-CG 3.28Å; K776-K780 PolarHBondContact O-N 3.45Å; K776-L790 HydrophobicContact CG-CD1 4.45Å |
| 777 | N | 81.2 | Confident | 75.3 | Confident | 78 Ų | 78 | 65.8 Ų | 65.8 | 42% | 0.417 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -73.7 | -45 | 179.9 | -66.3 | -20.8 | 0 | 0 | 0 | 111.8 | E773 V775 L779 K780 E781 | E773-N777 VanDerWaalsContact O-CB 3.29Å; E773-N777 WeakPolarHBondContact O-CB 3.16Å; E773-N777 PolarHBondContact O-N 2.73Å; E773-N777 PolarHBondContact O-ND2 2.99Å; V775-N777 VanDerWaalsContact C-N 3.26Å; V775-N777 PolarHBondContact O-N 2.82Å; N777-L779 VanDerWaalsContact C-N 3.31Å; N777-L779 PolarHBondContact O-N 2.89Å; N777-K780 PolarHBondContact O-N 2.94Å; N777-E781 WeakPolarHBondContact O-CG 3.39Å; N777-E781 PolarHBondContact O-N 3.19Å |
| 778 | F | 81.4 | Confident | 75.5 | Confident | 56 Ų | 56 | 66.8 Ų | 66.8 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.5 | -42.3 | 173.5 | 175.5 | -102.5 | 0 | 0 | 0 | 112.1 | I748 R774 V775 E781 A782 | I748-F778 HydrophobicContact CG2-CD1 4.22Å; I748-F778 HydrophobicContact CG2-CE1 3.87Å; R774-F778 VanDerWaalsContact O-CB 3.25Å; R774-F778 WeakPolarHBondContact O-CB 3.37Å; R774-F778 PolarHBondContact O-N 3.07Å; V775-F778 PolarHBondContact O-N 3.09Å; F778-E781 PolarHBondContact O-N 3.14Å; F778-A782 WeakPolarHBondContact O-CB 3.42Å; F778-A782 PolarHBondContact O-N 2.91Å |
| 779 | L | 79.1 | Confident | 76 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.6 | -35.8 | 179 | -68.3 | 174.8 | 0 | 0 | 0 | 112.6 | V760 V775 N777 E781 L784 P789 | V760-L779 HydrophobicContact CG1-CD2 4.06Å; V775-L779 HydrophobicContact CG1-CD1 3.69Å; V775-L779 HydrophobicContact CG1-CG 4.08Å; V775-L779 WeakPolarHBondContact O-CB 3.11Å; V775-L779 WeakPolarHBondContact O-CG 3.18Å; V775-L779 PolarHBondContact O-N 2.88Å; N777-L779 VanDerWaalsContact C-N 3.31Å; N777-L779 PolarHBondContact O-N 2.89Å; L779-E781 VanDerWaalsContact C-N 3.35Å; L779-L784 HydrophobicContact CD2-CD1 3.76Å; L779-P789 HydrophobicContact CD1-CB 4.35Å |
| 780 | K | 76.2 | Confident | 76.2 | Confident | 91 Ų | 91 | 60.3 Ų | 60.3 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 170.8 | -77.5 | 176.5 | -179.6 | -177.4 | 0 | 111.9 | K776 N777 L790 | K776-K780 HydrophobicContact CG-CD 4.46Å; K776-K780 WeakPolarHBondContact O-CB 3.46Å; K776-K780 VanDerWaalsContact O-CG 3.28Å; K776-K780 WeakPolarHBondContact O-CG 3.28Å; K776-K780 PolarHBondContact O-N 3.45Å; N777-K780 PolarHBondContact O-N 2.94Å; K780-L790 HydrophobicContact CG-CD1 4.46Å |
| 781 | E | 77.9 | Confident | 76.2 | Confident | 157 Ų | 157 | 60.1 Ų | 60.1 | 73% | 0.734 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -76.3 | -41.4 | 179 | -75.7 | -176.3 | 178.1 | 0 | 0 | 113.4 | N777 F778 L779 K783 | N777-E781 WeakPolarHBondContact O-CG 3.39Å; N777-E781 PolarHBondContact O-N 3.19Å; F778-E781 PolarHBondContact O-N 3.14Å; L779-E781 VanDerWaalsContact C-N 3.35Å; E781-K783 PolarHBondContact O-N 3.12Å; E781-K783 VanDerWaalsContact O-N 3.13Å |
| 782 | A | 73.4 | Confident | 76.2 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 37% | 0.372 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64 | -17.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | F778 L784 | F778-A782 WeakPolarHBondContact O-CB 3.42Å; F778-A782 PolarHBondContact O-N 2.91Å; A782-L784 VanDerWaalsContact C-N 3.26Å; A782-L784 HydrophobicContact CB-CD2 4.37Å; A782-L784 HydrophobicContact CB-CG 4.31Å; A782-L784 PolarHBondContact O-N 2.83Å |
| 783 | K | 67.4 | Low | 76.5 | Confident | 172 Ų | 172 | 54.7 Ų | 54.7 | 75% | 0.748 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.2 | 52.5 | 177.3 | -69.4 | -178.9 | -179.9 | 177.1 | 0 | 112.1 | E781 | E781-K783 PolarHBondContact O-N 3.12Å; E781-K783 VanDerWaalsContact O-N 3.13Å |
| 784 | L | 70.4 | Confident | 76.7 | Confident | 28 Ų | 28 | 50 Ų | 50 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | trans | -57.3 | 144.3 | 178.4 | -62.2 | 175.9 | 0 | 0 | 0 | 110.1 | V760 L779 A782 D786 Q787 | V760-L784 HydrophobicContact CG1-CD1 4.47Å; L779-L784 HydrophobicContact CD2-CD1 3.76Å; A782-L784 VanDerWaalsContact C-N 3.26Å; A782-L784 HydrophobicContact CB-CD2 4.37Å; A782-L784 HydrophobicContact CB-CG 4.31Å; A782-L784 PolarHBondContact O-N 2.83Å; L784-D786 PolarHBondContact O-N 3.23Å; L784-Q787 PolarHBondContact O-NE2 3.33Å | ||
| 785 | P | 68.8 | Low | 76.6 | Confident | 110 Ų | 110 | 45.3 Ų | 45.3 | 71% | 0.714 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -63.6 | -23.6 | 178.9 | 24.2 | -32.8 | 0 | 0 | 0 | 112.9 | I757 | I757-P785 HydrophobicContact CD1-CG 4.07Š|
| 786 | D | 71.9 | Confident | 76.3 | Confident | 56 Ų | 56 | 49.9 Ų | 49.9 | 30% | 0.299 | 25% | 0.249 | S | C | . | . | trans | -111.1 | 124.4 | 173.9 | -168.5 | -11.4 | 0 | 0 | 0 | 110 | L784 L788 P789 | L784-D786 PolarHBondContact O-N 3.23Å; D786-L788 WeakPolarHBondContact OD1-CB 3.28Å; D786-L788 PolarHBondContact OD1-N 2.98Å; D786-P789 WeakPolarHBondContact O-CD 3.41Å | ||
| 787 | Q | 75.3 | Confident | 76.3 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 16% | 0.159 | 26% | 0.255 | C | S | . | . | trans | -92.1 | -0.7 | -178.1 | -64 | -66.3 | -43.2 | 0 | 0 | 112.6 | L784 P789 L790 I791 Y815 | L784-Q787 PolarHBondContact O-NE2 3.33Å; Q787-P789 VanDerWaalsContact C-CD 3.46Å; Q787-L790 WeakPolarHBondContact O-CB 3.39Å; Q787-L790 PolarHBondContact O-N 2.99Å; Q787-I791 PolarHBondContact O-N 2.91Å; Q787-I791 VanDerWaalsContact O-N 3.15Å; Q787-Y815 HydrophobicContact CB-CE1 4.44Å | ||
| 788 | L | 75.6 | Confident | 75.8 | Confident | 29 Ų | 29 | 53.1 Ų | 53.1 | 15% | 0.152 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.9 | -39.1 | 178.3 | -171.1 | 59.1 | 0 | 0 | 0 | 114.1 | E761 D786 L790 I791 I792 V823 | E761-L788 VanDerWaalsContact CD-CD2 3.46Å; E761-L788 HydrophobicContact CG-CD2 4.32Å; E761-L788 HydrophobicContact CG-CG 4.27Å; E761-L788 WeakPolarHBondContact OE1-CD2 3.48Å; D786-L788 WeakPolarHBondContact OD1-CB 3.28Å; D786-L788 PolarHBondContact OD1-N 2.98Å; L788-L790 PolarHBondContact O-N 2.61Å; L788-I791 HydrophobicContact CD1-CB 4.48Å; L788-I791 HydrophobicContact CD1-CD1 4.44Å; L788-I791 PolarHBondContact O-N 2.99Å; L788-I792 HydrophobicContact CG-CD1 4.15Å; L788-I792 WeakPolarHBondContact O-CD1 3.5Å; L788-I792 VanDerWaalsContact O-CG1 3.26Å; L788-I792 WeakPolarHBondContact O-CG1 3.44Å; L788-I792 PolarHBondContact O-N 3.05Å; L788-I792 VanDerWaalsContact O-N 3.1Å; L788-V823 HydrophobicContact CD1-CG2 4.21Å |
| 789 | P | 80.2 | Confident | 75.6 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.013 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.6 | -35.9 | 173.2 | -24.7 | 34.7 | 0 | 0 | 0 | 112.9 | E761 L779 D786 Q787 V793 | E761-P789 HydrophobicContact CB-CG 4.08Å; E761-P789 HydrophobicContact CG-CG 4.44Å; L779-P789 HydrophobicContact CD1-CB 4.35Å; D786-P789 WeakPolarHBondContact O-CD 3.41Å; Q787-P789 VanDerWaalsContact C-CD 3.46Å; P789-V793 WeakPolarHBondContact O-CG2 3.35Å; P789-V793 PolarHBondContact O-N 3.06Å |
| 790 | L | 80.4 | Confident | 75.3 | Confident | 7 Ų | 7 | 54.8 Ų | 54.8 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.9 | -42.5 | 176.9 | -179.8 | 65.7 | 0 | 0 | 0 | 111.9 | K776 K780 Q787 L788 I792 V793 C794 Y806 | K776-L790 HydrophobicContact CG-CD1 4.45Å; K780-L790 HydrophobicContact CG-CD1 4.46Å; Q787-L790 WeakPolarHBondContact O-CB 3.39Å; Q787-L790 PolarHBondContact O-N 2.99Å; L788-L790 PolarHBondContact O-N 2.61Å; L790-I792 VanDerWaalsContact C-N 3.26Å; L790-I792 PolarHBondContact O-N 3.22Å; L790-V793 PolarHBondContact O-N 2.96Å; L790-C794 PolarHBondContact O-N 2.79Å; L790-C794 PolarHBondContact O-SG 2.83Å; L790-C794 VanDerWaalsContact O-SG 3.35Å; L790-Y806 HydrophobicContact CD2-CD1 4.35Å; L790-Y806 HydrophobicContact CD2-CE1 3.79Å |
| 791 | I | 77.7 | Confident | 74.9 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.3 | -44.2 | 177.2 | -69.4 | 170.7 | 0 | 0 | 0 | 110.8 | Q787 L788 C794 D795 L803 L807 Y815 F819 V823 | Q787-I791 PolarHBondContact O-N 2.91Å; Q787-I791 VanDerWaalsContact O-N 3.15Å; L788-I791 HydrophobicContact CD1-CB 4.48Å; L788-I791 HydrophobicContact CD1-CD1 4.44Å; L788-I791 PolarHBondContact O-N 2.99Å; I791-C794 PolarHBondContact O-N 3.36Å; I791-D795 WeakPolarHBondContact O-CB 3.49Å; I791-D795 PolarHBondContact O-N 3.3Å; I791-L803 HydrophobicContact CB-CD2 4.37Å; I791-L803 HydrophobicContact CG1-CD1 4.14Å; I791-L803 HydrophobicContact CG1-CD2 4.45Å; I791-L803 HydrophobicContact CG2-CD2 4.04Å; I791-L807 HydrophobicContact CD1-CD1 4.5Å; I791-L807 HydrophobicContact CG1-CD1 4.37Å; I791-Y815 HydrophobicContact CD1-CD1 3.63Å; I791-Y815 HydrophobicContact CD1-CG 4.16Å; I791-F819 HydrophobicContact CG2-CD2 3.86Å; I791-V823 HydrophobicContact CG2-CG2 4.34Å |
| 792 | I | 77 | Confident | 74.8 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.5 | -48.2 | -178.3 | -67.1 | 161.9 | 0 | 0 | 0 | 111.6 | E761 R765 L788 L790 C794 D795 R796 | E761-I792 HydrophobicContact CG-CD1 3.43Å; E761-I792 VanDerWaalsContact CG-CD1 3.43Å; R765-I792 HydrophobicContact CB-CD1 4.25Å; R765-I792 HydrophobicContact CB-CG2 3.58Å; R765-I792 HydrophobicContact CG-CG2 3.76Å; L788-I792 HydrophobicContact CG-CD1 4.15Å; L788-I792 WeakPolarHBondContact O-CD1 3.5Å; L788-I792 VanDerWaalsContact O-CG1 3.26Å; L788-I792 WeakPolarHBondContact O-CG1 3.44Å; L788-I792 PolarHBondContact O-N 3.05Å; L788-I792 VanDerWaalsContact O-N 3.1Å; L790-I792 VanDerWaalsContact C-N 3.26Å; L790-I792 PolarHBondContact O-N 3.22Å; I792-C794 VanDerWaalsContact C-N 3.27Å; I792-C794 PolarHBondContact O-N 3Å; I792-D795 PolarHBondContact O-N 3.25Å; I792-R796 WeakPolarHBondContact O-CB 3.15Å; I792-R796 PolarHBondContact O-N 3.41Å |
| 793 | V | 79.7 | Confident | 75.1 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 178.4 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | C764 Y770 P789 L790 F797 | C764-V793 HydrophobicContact CB-CG2 3.68Å; Y770-V793 VanDerWaalsContact OH-CG2 3.27Å; Y770-V793 WeakPolarHBondContact OH-CG2 3.22Å; P789-V793 WeakPolarHBondContact O-CG2 3.35Å; P789-V793 PolarHBondContact O-N 3.06Å; L790-V793 PolarHBondContact O-N 2.96Å; V793-F797 HydrophobicContact CG1-CD2 3.94Å; V793-F797 HydrophobicContact CG1-CE2 4.23Å; V793-F797 VanDerWaalsContact O-CD2 3.25Å; V793-F797 WeakPolarHBondContact O-CD2 3.33Å; V793-F797 PolarHBondContact O-N 3.07Å |
| 794 | C | 78.7 | Confident | 75.6 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 8% | 0.081 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.7 | -38.4 | 179.4 | -66.9 | 0 | 0 | 0 | 0 | 113.8 | L790 I791 I792 F799 L803 | L790-C794 PolarHBondContact O-N 2.79Å; L790-C794 PolarHBondContact O-SG 2.83Å; L790-C794 VanDerWaalsContact O-SG 3.35Å; I791-C794 PolarHBondContact O-N 3.36Å; I792-C794 VanDerWaalsContact C-N 3.27Å; I792-C794 PolarHBondContact O-N 3Å; C794-F799 HydrophobicContact CB-CB 4.09Å; C794-F799 CarbonylContact O-C 3.6Å; C794-F799 WeakPolarHBondContact O-CA 3.09Å; C794-F799 PolarHBondContact O-N 3.41Å; C794-L803 HydrophobicContact CB-CB 3.84Å; C794-L803 HydrophobicContact CB-CD1 3.94Å; C794-L803 HydrophobicContact CB-CD2 4.06Å; C794-L803 HydrophobicContact CB-CG 4.15Å |
| 795 | D | 76.9 | Confident | 75.8 | Confident | 25 Ų | 25 | 46.2 Ų | 46.2 | 13% | 0.134 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.8 | -44.1 | 176.1 | -179.7 | 56.2 | 0 | 0 | 0 | 112.2 | I791 I792 F797 D798 F819 | I791-D795 WeakPolarHBondContact O-CB 3.49Å; I791-D795 PolarHBondContact O-N 3.3Å; I792-D795 PolarHBondContact O-N 3.25Å; D795-F797 VanDerWaalsContact C-N 3.32Å; D795-F797 PolarHBondContact O-N 3.3Å; D795-D798 PolarHBondContact O-N 3.46Å; D795-F819 HydrophobicContact CB-CE2 3.72Å; D795-F819 HydrophobicContact CB-CZ 4.3Å; D795-F819 VanDerWaalsContact CG-CE2 3.5Å; D795-F819 WeakPolarHBondContact OD1-CE2 3.35Å; D795-F819 VanDerWaalsContact OD1-CZ 3.24Å; D795-F819 WeakPolarHBondContact OD1-CZ 3.48Å |
| 796 | R | 75.9 | Confident | 76.3 | Confident | 98 Ų | 98 | 44.9 Ų | 44.9 | 37% | 0.37 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.7 | -36.1 | -177.4 | -106.4 | -177.6 | 142.2 | -156.2 | -2 | 114 | R765 V766 S767 N768 I792 | R765-R796 PolarHBondContact O-NE 3Å; R765-R796 PolarHBondContact O-NH1 3.32Å; R765-R796 PolarHBondContact O-NH2 3.41Å; V766-R796 PolarHBondContact O-NH1 2.85Å; V766-R796 PolarHBondContact O-NH2 3.46Å; S767-R796 PolarHBondContact O-NH1 3.33Å; S767-R796 VanDerWaalsContact O-NH1 3.08Å; N768-R796 VanDerWaalsContact OD1-CZ 3.27Å; N768-R796 PolarHBondContact OD1-NH1 3.05Å; N768-R796 PolarHBondContact OD1-NH2 2.86Å; I792-R796 WeakPolarHBondContact O-CB 3.15Å; I792-R796 PolarHBondContact O-N 3.41Å |
| 797 | F | 76.5 | Confident | 76.5 | Confident | 62 Ų | 62 | 42.3 Ų | 42.3 | 27% | 0.272 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 26.8 | -176.3 | -61.8 | -70.9 | 0 | 0 | 0 | 112.2 | P772 V793 D795 F799 | P772-F797 HydrophobicContact CB-CD2 4.2Å; P772-F797 HydrophobicContact CB-CE2 4.15Å; V793-F797 HydrophobicContact CG1-CD2 3.94Å; V793-F797 HydrophobicContact CG1-CE2 4.23Å; V793-F797 VanDerWaalsContact O-CD2 3.25Å; V793-F797 WeakPolarHBondContact O-CD2 3.33Å; V793-F797 PolarHBondContact O-N 3.07Å; D795-F797 VanDerWaalsContact C-N 3.32Å; D795-F797 PolarHBondContact O-N 3.3Å; F797-F799 HydrophobicContact CB-CD2 3.75Å; F797-F799 HydrophobicContact CB-CE2 3.51Å; F797-F799 HydrophobicContact CB-CZ 4.41Å; F797-F799 PolarHBondContact O-N 3.49Å; F797-F799 VanDerWaalsContact O-N 3.09Å |
| 798 | D | 71.8 | Confident | 76.3 | Confident | 117 Ų | 117 | 47.5 Ų | 47.5 | 63% | 0.626 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 24.5 | 176.2 | -76 | -39.3 | 0 | 0 | 0 | 115.3 | D795 V800 R827 | D795-D798 PolarHBondContact O-N 3.46Å; D798-V800 PolarHBondContact O-N 3.47Å; D798-V800 VanDerWaalsContact O-N 3.14Å; D798-R827 IonicContact OD1-NH2 3.34Å; D798-R827 PolarHBondContact OD1-NH2 3.33Å |
| 799 | F | 76.8 | Confident | 76.3 | Confident | 75 Ų | 75 | 55.5 Ų | 55.5 | 33% | 0.329 | 25% | 0.25 | S | C | . | . | trans | -81.6 | 26.8 | 168.8 | -54.7 | -61.1 | 0 | 0 | 0 | 111.7 | C794 F797 H801 D802 L803 | C794-F799 HydrophobicContact CB-CB 4.09Å; C794-F799 CarbonylContact O-C 3.6Å; C794-F799 WeakPolarHBondContact O-CA 3.09Å; C794-F799 PolarHBondContact O-N 3.41Å; F797-F799 HydrophobicContact CB-CD2 3.75Å; F797-F799 HydrophobicContact CB-CE2 3.51Å; F797-F799 HydrophobicContact CB-CZ 4.41Å; F797-F799 PolarHBondContact O-N 3.49Å; F797-F799 VanDerWaalsContact O-N 3.09Å; F799-H801 PolarHBondContact O-N 3.33Å; F799-D802 HydrophobicContact CB-CB 4.42Å; F799-D802 PolarHBondContact O-N 3.03Å; F799-L803 WeakPolarHBondContact O-CB 3.32Å; F799-L803 PolarHBondContact O-N 3.47Å | ||
| 800 | V | 72.5 | Confident | 76.1 | Confident | 22 Ų | 22 | 59.2 Ų | 59.2 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.8 | -41.8 | -173 | -179.7 | 0 | 0 | 0 | 0 | 111.5 | D798 L803 I804 F819 | D798-V800 PolarHBondContact O-N 3.47Å; D798-V800 VanDerWaalsContact O-N 3.14Å; V800-L803 WeakPolarHBondContact O-CB 3.49Å; V800-L803 PolarHBondContact O-N 3.08Å; V800-I804 HydrophobicContact CG1-CG1 4.45Å; V800-I804 WeakPolarHBondContact O-CG1 3.48Å; V800-I804 PolarHBondContact O-N 3.21Å; V800-F819 HydrophobicContact CG1-CE1 3.85Å; V800-F819 HydrophobicContact CG1-CZ 3.94Å; V800-F819 HydrophobicContact CG2-CZ 4.39Å |
| 801 | H | 68.9 | Low | 75.8 | Confident | 124 Ų | 124 | 65.9 Ų | 65.9 | 57% | 0.574 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.8 | -44.4 | 176.2 | -165 | 83.5 | 0 | 0 | 0 | 111.3 | F799 L803 I804 L805 | F799-H801 PolarHBondContact O-N 3.33Å; H801-L803 VanDerWaalsContact C-N 3.33Å; H801-L803 PolarHBondContact O-N 3.37Å; H801-I804 PolarHBondContact O-N 3.11Å; H801-L805 WeakPolarHBondContact O-CB 3.4Å; H801-L805 VanDerWaalsContact O-CG 3.29Å; H801-L805 WeakPolarHBondContact O-CG 3.37Å; H801-L805 PolarHBondContact O-N 2.91Å |
| 802 | D | 75.9 | Confident | 75.8 | Confident | 103 Ų | 103 | 68.2 Ų | 68.2 | 55% | 0.551 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.6 | -36 | 175.2 | -81 | -9.5 | 0 | 0 | 0 | 112.6 | F799 Y806 | F799-D802 HydrophobicContact CB-CB 4.42Å; F799-D802 PolarHBondContact O-N 3.03Å; D802-Y806 WeakPolarHBondContact O-CB 3.5Å; D802-Y806 PolarHBondContact O-N 2.89Å |
| 803 | L | 79.9 | Confident | 75.4 | Confident | 3 Ų | 3 | 71.1 Ų | 71.1 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.8 | -51.6 | 175.3 | 178.3 | 68.1 | 0 | 0 | 0 | 111.1 | I791 C794 F799 V800 H801 L805 Y806 L807 | I791-L803 HydrophobicContact CB-CD2 4.37Å; I791-L803 HydrophobicContact CG1-CD1 4.14Å; I791-L803 HydrophobicContact CG1-CD2 4.45Å; I791-L803 HydrophobicContact CG2-CD2 4.04Å; C794-L803 HydrophobicContact CB-CB 3.84Å; C794-L803 HydrophobicContact CB-CD1 3.94Å; C794-L803 HydrophobicContact CB-CD2 4.06Å; C794-L803 HydrophobicContact CB-CG 4.15Å; F799-L803 WeakPolarHBondContact O-CB 3.32Å; F799-L803 PolarHBondContact O-N 3.47Å; V800-L803 WeakPolarHBondContact O-CB 3.49Å; V800-L803 PolarHBondContact O-N 3.08Å; H801-L803 VanDerWaalsContact C-N 3.33Å; H801-L803 PolarHBondContact O-N 3.37Å; L803-L805 VanDerWaalsContact C-N 3.25Å; L803-L805 PolarHBondContact O-N 3.16Å; L803-Y806 PolarHBondContact O-N 3.14Å; L803-Y806 VanDerWaalsContact O-N 3.16Å; L803-L807 HydrophobicContact CD1-CD1 3.84Å; L803-L807 HydrophobicContact CD1-CG 3.96Å; L803-L807 HydrophobicContact CD2-CD1 4.39Å; L803-L807 HydrophobicContact CG-CD1 3.79Å; L803-L807 HydrophobicContact CG-CG 4.25Å; L803-L807 WeakPolarHBondContact O-CB 3.49Å; L803-L807 VanDerWaalsContact O-CG 3.27Å; L803-L807 WeakPolarHBondContact O-CG 3.15Å; L803-L807 PolarHBondContact O-N 3.25Å |
| 804 | I | 77.8 | Confident | 75.1 | Confident | 22 Ų | 22 | 78.7 Ų | 78.7 | 11% | 0.113 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62 | -38 | 179.6 | -62.7 | -57.2 | 0 | 0 | 0 | 110.1 | V800 H801 Y808 I816 F819 | V800-I804 HydrophobicContact CG1-CG1 4.45Å; V800-I804 WeakPolarHBondContact O-CG1 3.48Å; V800-I804 PolarHBondContact O-N 3.21Å; H801-I804 PolarHBondContact O-N 3.11Å; I804-Y808 WeakPolarHBondContact O-CB 3.48Å; I804-Y808 PolarHBondContact O-N 2.87Å; I804-I816 HydrophobicContact CD1-CB 4.44Å; I804-I816 HydrophobicContact CD1-CG1 4.02Å; I804-I816 HydrophobicContact CD1-CG2 3.94Å; I804-I816 HydrophobicContact CG2-CD1 4.25Å; I804-F819 HydrophobicContact CD1-CD1 4.13Å |
| 805 | L | 74.8 | Confident | 75.2 | Confident | 62 Ų | 62 | 81 Ų | 81 | 33% | 0.325 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 172.6 | -69.4 | 174.1 | 0 | 0 | 0 | 113.1 | H801 L803 R809 | H801-L805 WeakPolarHBondContact O-CB 3.4Å; H801-L805 VanDerWaalsContact O-CG 3.29Å; H801-L805 WeakPolarHBondContact O-CG 3.37Å; H801-L805 PolarHBondContact O-N 2.91Å; L803-L805 VanDerWaalsContact C-N 3.25Å; L803-L805 PolarHBondContact O-N 3.16Å; L805-R809 VanDerWaalsContact O-CB 3.22Å; L805-R809 WeakPolarHBondContact O-CB 3.3Å; L805-R809 VanDerWaalsContact O-CG 3.22Å; L805-R809 WeakPolarHBondContact O-CG 3.26Å; L805-R809 PolarHBondContact O-N 2.98Å |
| 806 | Y | 77.8 | Confident | 75 | Confident | 82 Ų | 82 | 80.4 Ų | 80.4 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 177 | 174.8 | -97.7 | 0 | 0 | 0 | 112 | L790 D802 L803 N810 | L790-Y806 HydrophobicContact CD2-CD1 4.35Å; L790-Y806 HydrophobicContact CD2-CE1 3.79Å; D802-Y806 WeakPolarHBondContact O-CB 3.5Å; D802-Y806 PolarHBondContact O-N 2.89Å; L803-Y806 PolarHBondContact O-N 3.14Å; L803-Y806 VanDerWaalsContact O-N 3.16Å; Y806-N810 VanDerWaalsContact CD2-ND2 3.27Å; Y806-N810 WeakPolarHBondContact CD2-ND2 2.94Å; Y806-N810 WeakPolarHBondContact CE2-ND2 3.4Å; Y806-N810 VanDerWaalsContact CZ-ND2 3.3Å; Y806-N810 WeakPolarHBondContact O-CB 3.36Å; Y806-N810 PolarHBondContact O-N 3.27Å; Y806-N810 VanDerWaalsContact O-N 3.14Å; Y806-N810 PolarHBondContact O-ND2 3.12Å |
| 807 | L | 77.7 | Confident | 74.8 | Confident | 1 Ų | 1 | 80 Ų | 80 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.3 | -43.1 | 178.8 | -67.6 | 177.3 | 0 | 0 | 0 | 110.9 | I791 L803 N811 L812 I816 | I791-L807 HydrophobicContact CD1-CD1 4.5Å; I791-L807 HydrophobicContact CG1-CD1 4.37Å; L803-L807 HydrophobicContact CD1-CD1 3.84Å; L803-L807 HydrophobicContact CD1-CG 3.96Å; L803-L807 HydrophobicContact CD2-CD1 4.39Å; L803-L807 HydrophobicContact CG-CD1 3.79Å; L803-L807 HydrophobicContact CG-CG 4.25Å; L803-L807 WeakPolarHBondContact O-CB 3.49Å; L803-L807 VanDerWaalsContact O-CG 3.27Å; L803-L807 WeakPolarHBondContact O-CG 3.15Å; L803-L807 PolarHBondContact O-N 3.25Å; L807-N811 PolarHBondContact O-N 3.06Å; L807-L812 HydrophobicContact CB-CB 4.33Å; L807-L812 HydrophobicContact CD2-CB 4.04Å; L807-L812 HydrophobicContact CD2-CD1 3.93Å; L807-L812 WeakPolarHBondContact O-CA 3.19Å; L807-L812 WeakPolarHBondContact O-CB 3.5Å; L807-L812 PolarHBondContact O-N 3.45Å; L807-I816 HydrophobicContact CB-CD1 4.5Å; L807-I816 HydrophobicContact CB-CG1 4.13Å; L807-I816 HydrophobicContact CD1-CG1 4.29Å |
| 808 | Y | 71 | Confident | 74.8 | Confident | 143 Ų | 143 | 79.2 Ų | 79.2 | 56% | 0.561 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -68.1 | -44 | 177.9 | -167.6 | -104.4 | 0 | 0 | 0 | 112 | I804 N810 N811 I816 | I804-Y808 WeakPolarHBondContact O-CB 3.48Å; I804-Y808 PolarHBondContact O-N 2.87Å; Y808-N810 VanDerWaalsContact C-N 3.29Å; Y808-N810 PolarHBondContact O-N 3.26Å; Y808-N811 PolarHBondContact O-N 3.34Å; Y808-N811 VanDerWaalsContact O-N 3.09Å; Y808-I816 HydrophobicContact CD2-CD1 4.41Å |
| 809 | R | 74.2 | Confident | 75.1 | Confident | 198 Ų | 198 | 73.6 Ų | 73.6 | 75% | 0.747 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.5 | -30 | 177.3 | -76.1 | 178.9 | 179.8 | 178.9 | 2.9 | 113.7 | L805 N811 | L805-R809 VanDerWaalsContact O-CB 3.22Å; L805-R809 WeakPolarHBondContact O-CB 3.3Å; L805-R809 VanDerWaalsContact O-CG 3.22Å; L805-R809 WeakPolarHBondContact O-CG 3.26Å; L805-R809 PolarHBondContact O-N 2.98Å; R809-N811 VanDerWaalsContact C-N 3.33Å |
| 810 | N | 77.2 | Confident | 74.8 | Confident | 80 Ų | 80 | 70 Ų | 70 | 43% | 0.428 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 12.3 | 176.1 | -69.1 | -54.2 | 0 | 0 | 0 | 113.5 | Y806 Y808 L812 | Y806-N810 VanDerWaalsContact CD2-ND2 3.27Å; Y806-N810 WeakPolarHBondContact CD2-ND2 2.94Å; Y806-N810 WeakPolarHBondContact CE2-ND2 3.4Å; Y806-N810 VanDerWaalsContact CZ-ND2 3.3Å; Y806-N810 WeakPolarHBondContact O-CB 3.36Å; Y806-N810 PolarHBondContact O-N 3.27Å; Y806-N810 VanDerWaalsContact O-N 3.14Å; Y806-N810 PolarHBondContact O-ND2 3.12Å; Y808-N810 VanDerWaalsContact C-N 3.29Å; Y808-N810 PolarHBondContact O-N 3.26Å; N810-L812 VanDerWaalsContact C-N 3.27Å; N810-L812 HydrophobicContact CB-CD1 4.05Å; N810-L812 HydrophobicContact CB-CG 4.11Å; N810-L812 PolarHBondContact O-N 2.94Å |
| 811 | N | 74.4 | Confident | 74.7 | Confident | 147 Ų | 147 | 73.1 Ų | 73.1 | 79% | 0.786 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 33.2 | -177.9 | -65 | -39.4 | 0 | 0 | 0 | 114.3 | L807 Y808 R809 S813 | L807-N811 PolarHBondContact O-N 3.06Å; Y808-N811 PolarHBondContact O-N 3.34Å; Y808-N811 VanDerWaalsContact O-N 3.09Å; R809-N811 VanDerWaalsContact C-N 3.33Å; N811-S813 PolarHBondContact O-N 3.48Å |
| 812 | L | 75.7 | Confident | 74.6 | Confident | 50 Ų | 50 | 75.5 Ų | 75.5 | 26% | 0.262 | 35% | 0.354 | S | S | . | . | trans | -98.1 | 44.7 | -179.9 | -64 | 175.4 | 0 | 0 | 0 | 112.1 | L807 N810 K814 Y815 | L807-L812 HydrophobicContact CB-CB 4.33Å; L807-L812 HydrophobicContact CD2-CB 4.04Å; L807-L812 HydrophobicContact CD2-CD1 3.93Å; L807-L812 WeakPolarHBondContact O-CA 3.19Å; L807-L812 WeakPolarHBondContact O-CB 3.5Å; L807-L812 PolarHBondContact O-N 3.45Å; N810-L812 VanDerWaalsContact C-N 3.27Å; N810-L812 HydrophobicContact CB-CD1 4.05Å; N810-L812 HydrophobicContact CB-CG 4.11Å; N810-L812 PolarHBondContact O-N 2.94Å; L812-K814 VanDerWaalsContact C-N 3.28Å; L812-K814 PolarHBondContact O-N 3.36Å; L812-Y815 HydrophobicContact CB-CD2 4.02Å; L812-Y815 HydrophobicContact CD2-CD2 4.14Å; L812-Y815 HydrophobicContact CD2-CE2 4.21Å; L812-Y815 HydrophobicContact CG-CD2 4.49Å; L812-Y815 PolarHBondContact O-N 3.29Å | ||
| 813 | S | 68.7 | Low | 74.4 | Confident | 66 Ų | 66 | 72.7 Ų | 72.7 | 46% | 0.462 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.5 | -33.9 | -175.9 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | N811 Y815 I816 E817 | N811-S813 PolarHBondContact O-N 3.48Å; S813-Y815 PolarHBondContact O-N 2.86Å; S813-I816 WeakPolarHBondContact O-CB 3.33Å; S813-I816 PolarHBondContact O-N 2.76Å; S813-E817 PolarHBondContact O-N 3.4Å |
| 814 | K | 74.8 | Confident | 73.9 | Confident | 160 Ų | 160 | 74.5 Ų | 74.5 | 70% | 0.696 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -57.7 | -31.8 | 173.8 | -74.7 | -176.3 | 176.2 | -179.7 | 0 | 113.2 | L812 I816 E817 V818 | L812-K814 VanDerWaalsContact C-N 3.28Å; L812-K814 PolarHBondContact O-N 3.36Å; K814-I816 VanDerWaalsContact C-N 3.31Å; K814-E817 PolarHBondContact O-N 2.87Å; K814-V818 VanDerWaalsContact O-CG2 3.28Å; K814-V818 WeakPolarHBondContact O-CG2 3.28Å; K814-V818 PolarHBondContact O-N 2.82Å |
| 815 | Y | 79.3 | Confident | 73.6 | Confident | 61 Ų | 61 | 74.7 Ų | 74.7 | 24% | 0.239 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -75.5 | -21.1 | 177.9 | -76.4 | -79.1 | 0 | 0 | 0 | 112.5 | Q787 I791 L812 S813 F819 | Q787-Y815 HydrophobicContact CB-CE1 4.44Å; I791-Y815 HydrophobicContact CD1-CD1 3.63Å; I791-Y815 HydrophobicContact CD1-CG 4.16Å; L812-Y815 HydrophobicContact CB-CD2 4.02Å; L812-Y815 HydrophobicContact CD2-CD2 4.14Å; L812-Y815 HydrophobicContact CD2-CE2 4.21Å; L812-Y815 HydrophobicContact CG-CD2 4.49Å; L812-Y815 PolarHBondContact O-N 3.29Å; S813-Y815 PolarHBondContact O-N 2.86Å; Y815-F819 WeakPolarHBondContact O-CB 3.36Å; Y815-F819 PolarHBondContact O-N 2.66Å |
| 816 | I | 74.2 | Confident | 73.6 | Confident | 13 Ų | 13 | 74.8 Ų | 74.8 | 7% | 0.067 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71.8 | -44.7 | 171.3 | -58.6 | 172.5 | 0 | 0 | 0 | 110.1 | I804 L807 Y808 S813 K814 V818 F819 V820 | I804-I816 HydrophobicContact CD1-CB 4.44Å; I804-I816 HydrophobicContact CD1-CG1 4.02Å; I804-I816 HydrophobicContact CD1-CG2 3.94Å; I804-I816 HydrophobicContact CG2-CD1 4.25Å; L807-I816 HydrophobicContact CB-CD1 4.5Å; L807-I816 HydrophobicContact CB-CG1 4.13Å; L807-I816 HydrophobicContact CD1-CG1 4.29Å; Y808-I816 HydrophobicContact CD2-CD1 4.41Å; S813-I816 WeakPolarHBondContact O-CB 3.33Å; S813-I816 PolarHBondContact O-N 2.76Å; K814-I816 VanDerWaalsContact C-N 3.31Å; I816-V818 VanDerWaalsContact C-N 3.3Å; I816-V818 PolarHBondContact O-N 2.74Å; I816-F819 WeakPolarHBondContact O-CB 3.34Å; I816-F819 PolarHBondContact O-N 2.68Å; I816-F819 VanDerWaalsContact O-N 3.15Å; I816-V820 PolarHBondContact O-N 2.96Å; I816-V820 VanDerWaalsContact O-N 3.08Å |
| 817 | E | 72.1 | Confident | 73.3 | Confident | 90 Ų | 90 | 75.5 Ų | 75.5 | 42% | 0.421 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 172.5 | -68.5 | 177.8 | 174.3 | 0 | 0 | 110.6 | S813 K814 F819 V820 Q821 | S813-E817 PolarHBondContact O-N 3.4Å; K814-E817 PolarHBondContact O-N 2.87Å; E817-F819 VanDerWaalsContact C-N 3.33Å; E817-F819 PolarHBondContact O-N 2.75Å; E817-V820 PolarHBondContact O-N 3.42Å; E817-Q821 WeakPolarHBondContact O-CB 3.26Å; E817-Q821 WeakPolarHBondContact O-CG 3.32Å; E817-Q821 PolarHBondContact O-N 2.73Å |
| 818 | V | 75.3 | Confident | 73.4 | Confident | 44 Ų | 44 | 75.4 Ų | 75.4 | 27% | 0.267 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 174.8 | 171 | 0 | 0 | 0 | 0 | 112 | K814 I816 K822 V823 | K814-V818 VanDerWaalsContact O-CG2 3.28Å; K814-V818 WeakPolarHBondContact O-CG2 3.28Å; K814-V818 PolarHBondContact O-N 2.82Å; I816-V818 VanDerWaalsContact C-N 3.3Å; I816-V818 PolarHBondContact O-N 2.74Å; V818-K822 HydrophobicContact CG1-CB 4.31Å; V818-K822 HydrophobicContact CG1-CD 4.32Å; V818-K822 WeakPolarHBondContact O-CA 3.46Å; V818-K822 VanDerWaalsContact O-CB 3.3Å; V818-K822 WeakPolarHBondContact O-CB 3.26Å; V818-K822 PolarHBondContact O-N 2.71Å; V818-V823 PolarHBondContact O-N 3.13Å |
| 819 | F | 77.3 | Confident | 73.6 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | I | π-helix | trans | -61.7 | -51 | 177.5 | 174.7 | -114.6 | 0 | 0 | 0 | 111.8 | I791 D795 V800 I804 Y815 I816 E817 V823 N824 V831 | I791-F819 HydrophobicContact CG2-CD2 3.86Å; D795-F819 HydrophobicContact CB-CE2 3.72Å; D795-F819 HydrophobicContact CB-CZ 4.3Å; D795-F819 VanDerWaalsContact CG-CE2 3.5Å; D795-F819 WeakPolarHBondContact OD1-CE2 3.35Å; D795-F819 VanDerWaalsContact OD1-CZ 3.24Å; D795-F819 WeakPolarHBondContact OD1-CZ 3.48Å; V800-F819 HydrophobicContact CG1-CE1 3.85Å; V800-F819 HydrophobicContact CG1-CZ 3.94Å; V800-F819 HydrophobicContact CG2-CZ 4.39Å; I804-F819 HydrophobicContact CD1-CD1 4.13Å; Y815-F819 WeakPolarHBondContact O-CB 3.36Å; Y815-F819 PolarHBondContact O-N 2.66Å; I816-F819 WeakPolarHBondContact O-CB 3.34Å; I816-F819 PolarHBondContact O-N 2.68Å; I816-F819 VanDerWaalsContact O-N 3.15Å; E817-F819 VanDerWaalsContact C-N 3.33Å; E817-F819 PolarHBondContact O-N 2.75Å; F819-V823 HydrophobicContact CD2-CB 3.83Å; F819-V823 HydrophobicContact CD2-CG1 4.04Å; F819-V823 HydrophobicContact CD2-CG2 4.36Å; F819-V823 HydrophobicContact CE2-CB 4.33Å; F819-V823 HydrophobicContact CE2-CG1 4.15Å; F819-V823 CarbonylContact O-C 3.59Å; F819-V823 WeakPolarHBondContact O-CA 3.18Å; F819-V823 VanDerWaalsContact O-CB 3.28Å; F819-V823 WeakPolarHBondContact O-CB 3.4Å; F819-V823 PolarHBondContact O-N 3.39Å; F819-N824 PolarHBondContact O-N 3.49Å; F819-V831 HydrophobicContact CD1-CG2 4.31Å; F819-V831 HydrophobicContact CE1-CG2 3.9Å |
| 820 | V | 72.1 | Confident | 73.7 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | I | π-helix | trans | -71.3 | -43.6 | -179.6 | 179.9 | 0 | 0 | 0 | 0 | 111.9 | I816 E817 S825 L828 V831 L848 T852 | I816-V820 PolarHBondContact O-N 2.96Å; I816-V820 VanDerWaalsContact O-N 3.08Å; E817-V820 PolarHBondContact O-N 3.42Å; V820-S825 VanDerWaalsContact O-CA 3.23Å; V820-S825 WeakPolarHBondContact O-CA 3.33Å; V820-S825 WeakPolarHBondContact O-CB 3.38Å; V820-S825 PolarHBondContact O-N 3.31Å; V820-L828 HydrophobicContact CG1-CB 4.27Å; V820-L828 HydrophobicContact CG1-CD1 3.42Å; V820-L828 VanDerWaalsContact CG1-CD1 3.42Å; V820-L828 HydrophobicContact CG1-CG 4.45Å; V820-V831 HydrophobicContact CG2-CB 3.95Å; V820-V831 HydrophobicContact CG2-CG1 3.48Å; V820-V831 VanDerWaalsContact CG2-CG1 3.48Å; V820-V831 HydrophobicContact CG2-CG2 4Å; V820-L848 HydrophobicContact CB-CD1 4.27Å; V820-L848 HydrophobicContact CG1-CD1 4.28Å; V820-L848 HydrophobicContact CG1-CD2 4.19Å; V820-L848 HydrophobicContact CG1-CG 4.16Å; V820-L848 HydrophobicContact CG2-CD1 4.45Å; V820-L848 HydrophobicContact CG2-CD2 4.41Å; V820-T852 HydrophobicContact CG1-CG2 4.41Å |
| 821 | Q | 70.7 | Confident | 73.7 | Confident | 86 Ų | 86 | 60.3 Ų | 60.3 | 40% | 0.402 | 31% | 0.308 | S | S | . | . | I | π-helix | trans | -78.9 | -32.7 | -173.4 | -66.4 | 177.6 | -2.3 | 0 | 0 | 113.1 | E817 | E817-Q821 WeakPolarHBondContact O-CB 3.26Å; E817-Q821 WeakPolarHBondContact O-CG 3.32Å; E817-Q821 PolarHBondContact O-N 2.73Å |
| 822 | K | 66.4 | Low | 73.9 | Confident | 175 Ų | 175 | 53.8 Ų | 53.8 | 76% | 0.761 | 27% | 0.274 | S | S | * | . | I | π-helix | trans | -117.7 | -24.9 | -173.7 | -64.2 | -169.7 | 176 | -178.5 | 0 | 115.3 | V818 | V818-K822 HydrophobicContact CG1-CB 4.31Å; V818-K822 HydrophobicContact CG1-CD 4.32Å; V818-K822 WeakPolarHBondContact O-CA 3.46Å; V818-K822 VanDerWaalsContact O-CB 3.3Å; V818-K822 WeakPolarHBondContact O-CB 3.26Å; V818-K822 PolarHBondContact O-N 2.71Å |
| 823 | V | 70.1 | Confident | 73.9 | Confident | 44 Ų | 44 | 51.7 Ų | 51.7 | 27% | 0.267 | 26% | 0.264 | S | S | . | . | I | π-helix | trans | -98.7 | -58.6 | -174.6 | -174.4 | 0 | 0 | 0 | 0 | 110.6 | L788 I791 V818 F819 | L788-V823 HydrophobicContact CD1-CG2 4.21Å; I791-V823 HydrophobicContact CG2-CG2 4.34Å; V818-V823 PolarHBondContact O-N 3.13Å; F819-V823 HydrophobicContact CD2-CB 3.83Å; F819-V823 HydrophobicContact CD2-CG1 4.04Å; F819-V823 HydrophobicContact CD2-CG2 4.36Å; F819-V823 HydrophobicContact CE2-CB 4.33Å; F819-V823 HydrophobicContact CE2-CG1 4.15Å; F819-V823 CarbonylContact O-C 3.59Å; F819-V823 WeakPolarHBondContact O-CA 3.18Å; F819-V823 VanDerWaalsContact O-CB 3.28Å; F819-V823 WeakPolarHBondContact O-CB 3.4Å; F819-V823 PolarHBondContact O-N 3.39Å |
| 824 | N | 69.4 | Low | 74.2 | Confident | 40 Ų | 40 | 49.6 Ų | 49.6 | 21% | 0.214 | 25% | 0.251 | C | S | . | . | trans | -150.9 | 93.9 | -178.7 | -162.6 | -17 | 0 | 0 | 0 | 113.3 | F819 S826 R827 | F819-N824 PolarHBondContact O-N 3.49Å; N824-S826 VanDerWaalsContact C-N 3.33Å; N824-S826 PolarHBondContact OD1-N 2.72Å; N824-S826 VanDerWaalsContact OD1-N 3.13Å; N824-S826 PolarHBondContact OD1-OG 3.09Å; N824-R827 HydrophobicContact CB-CG 4.22Å; N824-R827 WeakPolarHBondContact ND2-CG 3.38Å | ||
| 825 | S | 71.9 | Confident | 74.3 | Confident | 27 Ų | 27 | 43.1 Ų | 43.1 | 19% | 0.189 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -73.1 | -21.2 | 176.3 | 54.1 | 0 | 0 | 0 | 0 | 113.8 | V820 R827 L828 T852 A855 | V820-S825 VanDerWaalsContact O-CA 3.23Å; V820-S825 WeakPolarHBondContact O-CA 3.33Å; V820-S825 WeakPolarHBondContact O-CB 3.38Å; V820-S825 PolarHBondContact O-N 3.31Å; S825-R827 PolarHBondContact O-N 3.06Å; S825-L828 WeakPolarHBondContact O-CB 3.32Å; S825-L828 PolarHBondContact O-N 3.01Å; S825-T852 VanDerWaalsContact CB-CG2 3.4Å; S825-A855 WeakPolarHBondContact OG-CB 3.38Å; S825-A855 PolarHBondContact OG-O 3.26Å |
| 826 | S | 74.4 | Confident | 74 | Confident | 64 Ų | 64 | 43.6 Ų | 43.6 | 45% | 0.448 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -72.1 | -21.2 | 179.4 | 80 | 0 | 0 | 0 | 0 | 111.6 | N824 L828 P829 A855 | N824-S826 VanDerWaalsContact C-N 3.33Å; N824-S826 PolarHBondContact OD1-N 2.72Å; N824-S826 VanDerWaalsContact OD1-N 3.13Å; N824-S826 PolarHBondContact OD1-OG 3.09Å; S826-L828 PolarHBondContact O-N 3.38Å; S826-P829 WeakPolarHBondContact O-CD 3.39Å; S826-A855 WeakPolarHBondContact CA-O 3.2Å; S826-A855 PolarHBondContact N-O 3.42Å |
| 827 | R | 73 | Confident | 74 | Confident | 96 Ų | 96 | 49.2 Ų | 49.2 | 36% | 0.362 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -77.1 | 0.3 | 169.2 | -60.8 | -64.4 | -166 | 172.5 | 10.5 | 112 | D798 N824 S825 P829 V830 V831 | D798-R827 IonicContact OD1-NH2 3.34Å; D798-R827 PolarHBondContact OD1-NH2 3.33Å; N824-R827 HydrophobicContact CB-CG 4.22Å; N824-R827 WeakPolarHBondContact ND2-CG 3.38Å; S825-R827 PolarHBondContact O-N 3.06Å; R827-P829 VanDerWaalsContact C-CD 3.48Å; R827-P829 VanDerWaalsContact C-N 3.34Å; R827-V830 CarbonylContact O-C 2.87Å; R827-V830 WeakPolarHBondContact O-CA 3.36Å; R827-V830 WeakPolarHBondContact O-CB 3.37Å; R827-V830 PolarHBondContact O-N 3.03Å; R827-V831 HydrophobicContact CB-CG2 4.39Å; R827-V831 WeakPolarHBondContact O-CG2 3.47Å; R827-V831 PolarHBondContact O-N 3Å |
| 828 | L | 78.1 | Confident | 74 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -50.6 | -45.2 | 175.9 | -179.6 | 76.4 | 0 | 0 | 0 | 112.5 | V820 S825 S826 V830 V831 V832 L848 I849 T852 F856 | V820-L828 HydrophobicContact CG1-CB 4.27Å; V820-L828 HydrophobicContact CG1-CD1 3.42Å; V820-L828 VanDerWaalsContact CG1-CD1 3.42Å; V820-L828 HydrophobicContact CG1-CG 4.45Å; S825-L828 WeakPolarHBondContact O-CB 3.32Å; S825-L828 PolarHBondContact O-N 3.01Å; S826-L828 PolarHBondContact O-N 3.38Å; L828-V830 VanDerWaalsContact C-N 3.3Å; L828-V830 PolarHBondContact O-N 3.43Å; L828-V831 PolarHBondContact O-N 3.08Å; L828-V832 HydrophobicContact CD1-CG2 3.76Å; L828-V832 HydrophobicContact CG-CG2 3.92Å; L828-V832 VanDerWaalsContact O-CB 3.27Å; L828-V832 WeakPolarHBondContact O-CB 3.21Å; L828-V832 VanDerWaalsContact O-CG2 3.22Å; L828-V832 WeakPolarHBondContact O-CG2 3.29Å; L828-V832 PolarHBondContact O-N 3.23Å; L828-L848 HydrophobicContact CD1-CD2 3.39Å; L828-L848 HydrophobicContact CD1-CG 3.8Å; L828-I849 HydrophobicContact CD2-CG1 4.33Å; L828-T852 HydrophobicContact CD2-CG2 4.29Å; L828-F856 HydrophobicContact CB-CD1 4.36Å; L828-F856 HydrophobicContact CD2-CD1 3.42Å; L828-F856 VanDerWaalsContact CD2-CD1 3.42Å; L828-F856 HydrophobicContact CD2-CE1 3.29Å; L828-F856 HydrophobicContact CD2-CG 4.26Å; L828-F856 HydrophobicContact CD2-CZ 4.08Å |
| 829 | P | 76.6 | Confident | 73.7 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 8% | 0.078 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.5 | -39.1 | 176.7 | -23.2 | 35.3 | 0 | 0 | 0 | 112.9 | S826 R827 G833 E864 | S826-P829 WeakPolarHBondContact O-CD 3.39Å; R827-P829 VanDerWaalsContact C-CD 3.48Å; R827-P829 VanDerWaalsContact C-N 3.34Å; P829-G833 PolarHBondContact O-N 3.19Å; P829-E864 HydrophobicContact CB-CG 4.28Å |
| 830 | V | 75.6 | Confident | 73.5 | Confident | 87 Ų | 87 | 56.2 Ų | 56.2 | 53% | 0.527 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -72.4 | -39.9 | 177.6 | -176.2 | 0 | 0 | 0 | 0 | 111.5 | R827 L828 G833 A834 | R827-V830 CarbonylContact O-C 2.87Å; R827-V830 WeakPolarHBondContact O-CA 3.36Å; R827-V830 WeakPolarHBondContact O-CB 3.37Å; R827-V830 PolarHBondContact O-N 3.03Å; L828-V830 VanDerWaalsContact C-N 3.3Å; L828-V830 PolarHBondContact O-N 3.43Å; V830-G833 PolarHBondContact O-N 2.86Å; V830-A834 WeakPolarHBondContact O-CB 3.41Å; V830-A834 PolarHBondContact O-N 2.91Å |
| 831 | V | 78.3 | Confident | 73.7 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.024 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.4 | -39.9 | 177.6 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | F819 V820 R827 L828 G833 A834 L835 | F819-V831 HydrophobicContact CD1-CG2 4.31Å; F819-V831 HydrophobicContact CE1-CG2 3.9Å; V820-V831 HydrophobicContact CG2-CB 3.95Å; V820-V831 HydrophobicContact CG2-CG1 3.48Å; V820-V831 VanDerWaalsContact CG2-CG1 3.48Å; V820-V831 HydrophobicContact CG2-CG2 4Å; R827-V831 HydrophobicContact CB-CG2 4.39Å; R827-V831 WeakPolarHBondContact O-CG2 3.47Å; R827-V831 PolarHBondContact O-N 3Å; L828-V831 PolarHBondContact O-N 3.08Å; V831-G833 VanDerWaalsContact C-N 3.33Å; V831-A834 PolarHBondContact O-N 3.36Å; V831-L835 HydrophobicContact CG1-CD1 3.83Å; V831-L835 HydrophobicContact CG1-CG 4.24Å; V831-L835 VanDerWaalsContact O-CB 3.27Å; V831-L835 WeakPolarHBondContact O-CB 3.17Å; V831-L835 WeakPolarHBondContact O-CG 3.49Å; V831-L835 PolarHBondContact O-N 3.23Å |
| 832 | V | 77 | Confident | 73.6 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.3 | -39 | 171.7 | 171.8 | 0 | 0 | 0 | 0 | 110.1 | L828 L835 L836 I845 L848 | L828-V832 HydrophobicContact CD1-CG2 3.76Å; L828-V832 HydrophobicContact CG-CG2 3.92Å; L828-V832 VanDerWaalsContact O-CB 3.27Å; L828-V832 WeakPolarHBondContact O-CB 3.21Å; L828-V832 VanDerWaalsContact O-CG2 3.22Å; L828-V832 WeakPolarHBondContact O-CG2 3.29Å; L828-V832 PolarHBondContact O-N 3.23Å; V832-L835 PolarHBondContact O-N 2.9Å; V832-L836 HydrophobicContact CG1-CD1 3.88Å; V832-L836 HydrophobicContact CG1-CG 4.24Å; V832-L836 VanDerWaalsContact O-CB 3.3Å; V832-L836 WeakPolarHBondContact O-CB 3.3Å; V832-L836 WeakPolarHBondContact O-CG 3.39Å; V832-L836 PolarHBondContact O-N 2.81Å; V832-I845 HydrophobicContact CG1-CG2 3.78Å; V832-I845 HydrophobicContact CG2-CG2 4.2Å; V832-L848 HydrophobicContact CG2-CD2 4.04Å |
| 833 | G | 76 | Confident | 74 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 6% | 0.062 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.7 | -57 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P829 V830 V831 L835 L836 D837 | P829-G833 PolarHBondContact O-N 3.19Å; V830-G833 PolarHBondContact O-N 2.86Å; V831-G833 VanDerWaalsContact C-N 3.33Å; G833-L835 VanDerWaalsContact C-N 3.27Å; G833-L835 PolarHBondContact O-N 3.25Å; G833-L836 PolarHBondContact O-N 3.37Å; G833-L836 VanDerWaalsContact O-N 3.13Å; G833-D837 PolarHBondContact O-N 3.44Å |
| 834 | A | 75.6 | Confident | 74.1 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.7 | -29.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V830 V831 V838 | V830-A834 WeakPolarHBondContact O-CB 3.41Å; V830-A834 PolarHBondContact O-N 2.91Å; V831-A834 PolarHBondContact O-N 3.36Å; A834-V838 VanDerWaalsContact O-CG2 3.24Å; A834-V838 WeakPolarHBondContact O-CG2 3.27Å; A834-V838 PolarHBondContact O-N 3.19Å |
| 835 | L | 77.3 | Confident | 74.3 | Confident | 23 Ų | 23 | 56 Ų | 56 | 12% | 0.12 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -78.3 | -36 | 174.5 | -72.2 | 171.3 | 0 | 0 | 0 | 112.3 | V831 V832 G833 D837 V838 D839 C840 L848 | V831-L835 HydrophobicContact CG1-CD1 3.83Å; V831-L835 HydrophobicContact CG1-CG 4.24Å; V831-L835 VanDerWaalsContact O-CB 3.27Å; V831-L835 WeakPolarHBondContact O-CB 3.17Å; V831-L835 WeakPolarHBondContact O-CG 3.49Å; V831-L835 PolarHBondContact O-N 3.23Å; V832-L835 PolarHBondContact O-N 2.9Å; G833-L835 VanDerWaalsContact C-N 3.27Å; G833-L835 PolarHBondContact O-N 3.25Å; L835-D837 VanDerWaalsContact C-N 3.31Å; L835-V838 PolarHBondContact O-N 3.4Å; L835-D839 PolarHBondContact O-N 3.44Å; L835-C840 HydrophobicContact CB-CB 4.01Å; L835-C840 HydrophobicContact CD2-CB 4.31Å; L835-C840 WeakPolarHBondContact O-CB 2.91Å; L835-C840 PolarHBondContact O-N 3.38Å; L835-L848 HydrophobicContact CD1-CD2 4.02Å |
| 836 | L | 72.3 | Confident | 74.3 | Confident | 71 Ų | 71 | 58.4 Ų | 58.4 | 37% | 0.372 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.1 | -34.7 | 171 | -75.3 | 170.3 | 0 | 0 | 0 | 111 | V832 G833 V838 D839 I845 | V832-L836 HydrophobicContact CG1-CD1 3.88Å; V832-L836 HydrophobicContact CG1-CG 4.24Å; V832-L836 VanDerWaalsContact O-CB 3.3Å; V832-L836 WeakPolarHBondContact O-CB 3.3Å; V832-L836 WeakPolarHBondContact O-CG 3.39Å; V832-L836 PolarHBondContact O-N 2.81Å; G833-L836 PolarHBondContact O-N 3.37Å; G833-L836 VanDerWaalsContact O-N 3.13Å; L836-V838 VanDerWaalsContact C-N 3.3Å; L836-V838 PolarHBondContact O-N 3.09Å; L836-D839 PolarHBondContact O-N 3.01Å; L836-I845 HydrophobicContact CD2-CD1 3.41Å; L836-I845 VanDerWaalsContact CD2-CD1 3.41Å; L836-I845 HydrophobicContact CG-CD1 3.75Å |
| 837 | D | 73.5 | Confident | 74.2 | Confident | 132 Ų | 132 | 60.2 Ų | 60.2 | 71% | 0.706 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -68.9 | -26 | 176.3 | -67.6 | -22.1 | 0 | 0 | 0 | 113.2 | G833 L835 D839 | G833-D837 PolarHBondContact O-N 3.44Å; L835-D837 VanDerWaalsContact C-N 3.31Å; D837-D839 VanDerWaalsContact C-N 3.34Å |
| 838 | V | 73.9 | Confident | 74.3 | Confident | 87 Ų | 87 | 56.2 Ų | 56.2 | 53% | 0.527 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 14.2 | 177.6 | -172.7 | 0 | 0 | 0 | 0 | 111.2 | A834 L835 L836 C840 | A834-V838 VanDerWaalsContact O-CG2 3.24Å; A834-V838 WeakPolarHBondContact O-CG2 3.27Å; A834-V838 PolarHBondContact O-N 3.19Å; L835-V838 PolarHBondContact O-N 3.4Å; L836-V838 VanDerWaalsContact C-N 3.3Å; L836-V838 PolarHBondContact O-N 3.09Å; V838-C840 VanDerWaalsContact C-N 3.29Å; V838-C840 PolarHBondContact O-N 3.45Å |
| 839 | D | 68.1 | Low | 73.9 | Confident | 152 Ų | 152 | 56.8 Ų | 56.8 | 81% | 0.813 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 42 | -179.5 | -68.6 | -44.8 | 0 | 0 | 0 | 113.5 | L835 L836 D837 | L835-D839 PolarHBondContact O-N 3.44Å; L836-D839 PolarHBondContact O-N 3.01Å; D837-D839 VanDerWaalsContact C-N 3.34Å |
| 840 | C | 72.4 | Confident | 73.7 | Confident | 42 Ų | 42 | 60.8 Ų | 60.8 | 28% | 0.284 | 34% | 0.335 | S | S | . | . | trans | -64.3 | 150.9 | 172.5 | -165.4 | 0 | 0 | 0 | 0 | 111.1 | L835 V838 | L835-C840 HydrophobicContact CB-CB 4.01Å; L835-C840 HydrophobicContact CD2-CB 4.31Å; L835-C840 WeakPolarHBondContact O-CB 2.91Å; L835-C840 PolarHBondContact O-N 3.38Å; V838-C840 VanDerWaalsContact C-N 3.29Å; V838-C840 PolarHBondContact O-N 3.45Å | ||
| 841 | S | 76.6 | Confident | 73.4 | Confident | 67 Ų | 67 | 62.3 Ų | 62.3 | 47% | 0.469 | 34% | 0.336 | S | S | . | . | trans | -67.9 | 138.8 | -177.1 | 62.3 | 0 | 0 | 0 | 0 | 113 | D843 T844 I845 | S841-D843 PolarHBondContact O-N 3.34Å; S841-D843 VanDerWaalsContact O-N 3.12Å; S841-T844 WeakPolarHBondContact O-CB 3.45Å; S841-T844 PolarHBondContact O-N 3.46Å; S841-T844 PolarHBondContact OG-OG1 3.03Å; S841-I845 PolarHBondContact O-N 2.78Å | ||
| 842 | E | 68.6 | Low | 72.7 | Confident | 94 Ų | 94 | 62.6 Ų | 62.6 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -56 | -31.3 | -179.9 | -71.2 | -169.4 | 179.5 | 0 | 0 | 112.7 | I845 K846 R870 | E842-I845 PolarHBondContact O-N 3.45Å; E842-K846 WeakPolarHBondContact O-CB 3.49Å; E842-K846 VanDerWaalsContact O-CG 3.28Å; E842-K846 WeakPolarHBondContact O-CG 3.4Å; E842-K846 PolarHBondContact O-N 3.37Å; E842-K846 IonicContact OE2-NZ 2.99Å; E842-R870 IonicContact OE1-NH1 3.24Å |
| 843 | D | 74.7 | Confident | 71.8 | Confident | 112 Ų | 112 | 67.5 Ų | 67.5 | 60% | 0.599 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -67.8 | -37.1 | 176.4 | -73.3 | -30.9 | 0 | 0 | 0 | 111.9 | S841 I845 K846 Q847 | S841-D843 PolarHBondContact O-N 3.34Å; S841-D843 VanDerWaalsContact O-N 3.12Å; D843-I845 VanDerWaalsContact C-N 3.3Å; D843-I845 PolarHBondContact O-N 3.39Å; D843-K846 PolarHBondContact O-N 3.47Å; D843-Q847 WeakPolarHBondContact O-CB 3.33Å; D843-Q847 WeakPolarHBondContact O-CG 3.43Å; D843-Q847 PolarHBondContact O-N 3.19Å |
| 844 | T | 72.2 | Confident | 70.9 | Confident | 58 Ų | 58 | 72.9 Ų | 72.9 | 36% | 0.356 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65 | -38.6 | 175.8 | -48.6 | 0 | 0 | 0 | 0 | 110.5 | S841 L848 | S841-T844 WeakPolarHBondContact O-CB 3.45Å; S841-T844 PolarHBondContact O-N 3.46Å; S841-T844 PolarHBondContact OG-OG1 3.03Å; T844-L848 VanDerWaalsContact O-CB 3.31Å; T844-L848 WeakPolarHBondContact O-CB 3.29Å; T844-L848 PolarHBondContact O-N 3.17Å |
| 845 | I | 73.3 | Confident | 70.2 | Confident | 10 Ų | 10 | 74.3 Ų | 74.3 | 5% | 0.051 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -71 | -45.5 | 177.5 | -62.1 | 170.8 | 0 | 0 | 0 | 111.3 | V832 L836 S841 E842 D843 Q847 L848 I849 | V832-I845 HydrophobicContact CG1-CG2 3.78Å; V832-I845 HydrophobicContact CG2-CG2 4.2Å; L836-I845 HydrophobicContact CD2-CD1 3.41Å; L836-I845 VanDerWaalsContact CD2-CD1 3.41Å; L836-I845 HydrophobicContact CG-CD1 3.75Å; S841-I845 PolarHBondContact O-N 2.78Å; E842-I845 PolarHBondContact O-N 3.45Å; D843-I845 VanDerWaalsContact C-N 3.3Å; D843-I845 PolarHBondContact O-N 3.39Å; I845-Q847 VanDerWaalsContact C-N 3.28Å; I845-Q847 PolarHBondContact O-N 2.96Å; I845-L848 WeakPolarHBondContact O-CB 3.26Å; I845-L848 PolarHBondContact O-N 3.37Å; I845-L848 VanDerWaalsContact O-N 3.11Å; I845-I849 HydrophobicContact CG2-CD1 3.77Å; I845-I849 HydrophobicContact CG2-CG1 4.33Å; I845-I849 WeakPolarHBondContact O-CG1 3.28Å; I845-I849 PolarHBondContact O-N 2.83Å |
| 846 | K | 72.1 | Confident | 69.6 | Low | 76 Ų | 76 | 74.4 Ų | 74.4 | 33% | 0.33 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -57.3 | -45.1 | 174.5 | -76.2 | 170.1 | -168.4 | 159.3 | 0 | 110.3 | E842 D843 I849 L850 L873 | E842-K846 WeakPolarHBondContact O-CB 3.49Å; E842-K846 VanDerWaalsContact O-CG 3.28Å; E842-K846 WeakPolarHBondContact O-CG 3.4Å; E842-K846 PolarHBondContact O-N 3.37Å; E842-K846 IonicContact OE2-NZ 2.99Å; D843-K846 PolarHBondContact O-N 3.47Å; K846-I849 PolarHBondContact O-N 2.86Å; K846-L850 VanDerWaalsContact O-CB 3.28Å; K846-L850 WeakPolarHBondContact O-CB 3.35Å; K846-L850 PolarHBondContact O-N 3.24Å; K846-L873 HydrophobicContact CG-CD1 4.42Å |
| 847 | Q | 73.7 | Confident | 69.4 | Low | 102 Ų | 102 | 77.2 Ų | 77.2 | 48% | 0.477 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 174.7 | -68.3 | -62.7 | -13.6 | 0 | 0 | 110.9 | D843 I845 I849 L850 H851 | D843-Q847 WeakPolarHBondContact O-CB 3.33Å; D843-Q847 WeakPolarHBondContact O-CG 3.43Å; D843-Q847 PolarHBondContact O-N 3.19Å; I845-Q847 VanDerWaalsContact C-N 3.28Å; I845-Q847 PolarHBondContact O-N 2.96Å; Q847-I849 VanDerWaalsContact C-N 3.33Å; Q847-I849 PolarHBondContact O-N 3.11Å; Q847-L850 PolarHBondContact O-N 3.44Å; Q847-H851 VanDerWaalsContact O-CB 3.28Å; Q847-H851 WeakPolarHBondContact O-CB 3.44Å; Q847-H851 VanDerWaalsContact O-CG 3.3Å; Q847-H851 PolarHBondContact O-N 2.74Å; Q847-H851 PolarHBondContact O-ND1 2.65Å; Q847-H851 PolarHBondContact OE1-CE1 2.83Å; Q847-H851 PolarHBondContact OE1-ND1 3.29Å |
| 848 | L | 74.1 | Confident | 69.1 | Low | 12 Ų | 12 | 72.3 Ų | 72.3 | 6% | 0.063 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.3 | -43.5 | 176.9 | -162.2 | 84.6 | 0 | 0 | 0 | 111.7 | V820 L828 V832 L835 T844 I845 T852 | V820-L848 HydrophobicContact CB-CD1 4.27Å; V820-L848 HydrophobicContact CG1-CD1 4.28Å; V820-L848 HydrophobicContact CG1-CD2 4.19Å; V820-L848 HydrophobicContact CG1-CG 4.16Å; V820-L848 HydrophobicContact CG2-CD1 4.45Å; V820-L848 HydrophobicContact CG2-CD2 4.41Å; L828-L848 HydrophobicContact CD1-CD2 3.39Å; L828-L848 HydrophobicContact CD1-CG 3.8Å; V832-L848 HydrophobicContact CG2-CD2 4.04Å; L835-L848 HydrophobicContact CD1-CD2 4.02Å; T844-L848 VanDerWaalsContact O-CB 3.31Å; T844-L848 WeakPolarHBondContact O-CB 3.29Å; T844-L848 PolarHBondContact O-N 3.17Å; I845-L848 WeakPolarHBondContact O-CB 3.26Å; I845-L848 PolarHBondContact O-N 3.37Å; I845-L848 VanDerWaalsContact O-N 3.11Å; L848-T852 VanDerWaalsContact O-CB 3.26Å; L848-T852 WeakPolarHBondContact O-CB 3.31Å; L848-T852 PolarHBondContact O-N 2.99Å; L848-T852 PolarHBondContact O-OG1 3.09Å |
| 849 | I | 71 | Confident | 69 | Low | 13 Ų | 13 | 73.3 Ų | 73.3 | 7% | 0.067 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.2 | -46.5 | 178.3 | -63.6 | 167.7 | 0 | 0 | 0 | 111.2 | L828 I845 K846 Q847 H851 T852 L873 | L828-I849 HydrophobicContact CD2-CG1 4.33Å; I845-I849 HydrophobicContact CG2-CD1 3.77Å; I845-I849 HydrophobicContact CG2-CG1 4.33Å; I845-I849 WeakPolarHBondContact O-CG1 3.28Å; I845-I849 PolarHBondContact O-N 2.83Å; K846-I849 PolarHBondContact O-N 2.86Å; Q847-I849 VanDerWaalsContact C-N 3.33Å; Q847-I849 PolarHBondContact O-N 3.11Å; I849-H851 VanDerWaalsContact C-N 3.25Å; I849-H851 PolarHBondContact O-N 2.79Å; I849-T852 CarbonylContact O-C 3.57Å; I849-T852 PolarHBondContact O-N 3.11Å; I849-T852 VanDerWaalsContact O-N 3.15Å; I849-L873 HydrophobicContact CD1-CD2 4.29Å |
| 850 | L | 71 | Confident | 69.2 | Low | 96 Ų | 96 | 70 Ų | 70 | 50% | 0.503 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.1 | -34.6 | 177.6 | -106.2 | 130.9 | 0 | 0 | 0 | 112.5 | K846 Q847 K853 | K846-L850 VanDerWaalsContact O-CB 3.28Å; K846-L850 WeakPolarHBondContact O-CB 3.35Å; K846-L850 PolarHBondContact O-N 3.24Å; Q847-L850 PolarHBondContact O-N 3.44Å; L850-K853 VanDerWaalsContact O-CE 3.3Å; L850-K853 WeakPolarHBondContact O-CE 3.32Å; L850-K853 WeakPolarHBondContact O-CG 3.23Å |
| 851 | H | 70 | Confident | 69.3 | Low | 119 Ų | 119 | 68.1 Ų | 68.1 | 55% | 0.551 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -82.2 | -21.8 | 177.8 | -70.5 | 101.6 | 0 | 0 | 0 | 112.7 | Q847 I849 K853 | Q847-H851 VanDerWaalsContact O-CB 3.28Å; Q847-H851 WeakPolarHBondContact O-CB 3.44Å; Q847-H851 VanDerWaalsContact O-CG 3.3Å; Q847-H851 PolarHBondContact O-N 2.74Å; Q847-H851 PolarHBondContact O-ND1 2.65Å; Q847-H851 PolarHBondContact OE1-CE1 2.83Å; Q847-H851 PolarHBondContact OE1-ND1 3.29Å; I849-H851 VanDerWaalsContact C-N 3.25Å; I849-H851 PolarHBondContact O-N 2.79Å; H851-K853 PolarHBondContact O-N 3.15Å |
| 852 | T | 64.2 | Low | 69 | Low | 10 Ų | 10 | 66.2 Ų | 66.2 | 6% | 0.061 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -101.7 | 59.1 | -179.3 | -44.6 | 0 | 0 | 0 | 0 | 110.2 | V820 S825 L828 L848 I849 N854 F856 | V820-T852 HydrophobicContact CG1-CG2 4.41Å; S825-T852 VanDerWaalsContact CB-CG2 3.4Å; L828-T852 HydrophobicContact CD2-CG2 4.29Å; L848-T852 VanDerWaalsContact O-CB 3.26Å; L848-T852 WeakPolarHBondContact O-CB 3.31Å; L848-T852 PolarHBondContact O-N 2.99Å; L848-T852 PolarHBondContact O-OG1 3.09Å; I849-T852 CarbonylContact O-C 3.57Å; I849-T852 PolarHBondContact O-N 3.11Å; I849-T852 VanDerWaalsContact O-N 3.15Å; T852-N854 PolarHBondContact O-N 3.04Å; T852-N854 VanDerWaalsContact O-N 3.12Å; T852-F856 VanDerWaalsContact O-CE1 3.29Å; T852-F856 WeakPolarHBondContact O-CE1 3.33Å |
| 853 | K | 56.8 | Low | 69.1 | Low | 114 Ų | 114 | 66.2 Ų | 66.2 | 50% | 0.496 | 34% | 0.335 | S | S | . | . | trans | -62 | -26.3 | -160.6 | -73.6 | -167.4 | 171.7 | -176.3 | 0 | 117.1 | L850 H851 | L850-K853 VanDerWaalsContact O-CE 3.3Å; L850-K853 WeakPolarHBondContact O-CE 3.32Å; L850-K853 WeakPolarHBondContact O-CG 3.23Å; H851-K853 PolarHBondContact O-N 3.15Å | ||
| 854 | N | 58 | Low | 69.1 | Low | 118 Ų | 118 | 63.4 Ų | 63.4 | 63% | 0.631 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -146.6 | 18.5 | -153.1 | -75.6 | -29.1 | 0 | 0 | 0 | 119 | T852 R881 | T852-N854 PolarHBondContact O-N 3.04Å; T852-N854 VanDerWaalsContact O-N 3.12Å; N854-R881 PolarHBondContact OD1-NH2 3.42Å |
| 855 | A | 60.1 | Low | 69.2 | Low | 53 Ų | 53 | 61.4 Ų | 61.4 | 44% | 0.438 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -138.8 | 40.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S825 S826 | S825-A855 WeakPolarHBondContact OG-CB 3.38Å; S825-A855 PolarHBondContact OG-O 3.26Å; S826-A855 WeakPolarHBondContact CA-O 3.2Å; S826-A855 PolarHBondContact N-O 3.42Å |
| 856 | F | 64.7 | Low | 69.1 | Low | 24 Ų | 24 | 66 Ų | 66 | 11% | 0.105 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -142.2 | 155.8 | 168.1 | 58.8 | -96.6 | 0 | 0 | 0 | 109.3 | L828 T852 I858 L861 W877 | L828-F856 HydrophobicContact CB-CD1 4.36Å; L828-F856 HydrophobicContact CD2-CD1 3.42Å; L828-F856 VanDerWaalsContact CD2-CD1 3.42Å; L828-F856 HydrophobicContact CD2-CE1 3.29Å; L828-F856 HydrophobicContact CD2-CG 4.26Å; L828-F856 HydrophobicContact CD2-CZ 4.08Å; T852-F856 VanDerWaalsContact O-CE1 3.29Å; T852-F856 WeakPolarHBondContact O-CE1 3.33Å; F856-I858 PolarHBondContact O-N 3.09Å; F856-L861 HydrophobicContact CD2-CB 3.78Å; F856-L861 HydrophobicContact CD2-CD2 4.12Å; F856-L861 HydrophobicContact CD2-CG 4.39Å; F856-L861 HydrophobicContact CE2-CB 3.65Å; F856-L861 HydrophobicContact CE2-CD1 4.44Å; F856-L861 HydrophobicContact CE2-CD2 3.2Å; F856-L861 HydrophobicContact CE2-CG 3.9Å; F856-L861 HydrophobicContact CZ-CD2 3.57Å; F856-W877 HydrophobicContact CE2-CH2 4.25Å; F856-W877 HydrophobicContact CZ-CH2 4.25Å; F856-W877 HydrophobicContact CZ-CZ2 4.23Å |
| 857 | K | 67.4 | Low | 68.8 | Low | 130 Ų | 130 | 68.6 Ų | 68.6 | 57% | 0.565 | 34% | 0.338 | S | S | * | . | trans | -71.5 | 127.6 | -179.7 | -66.9 | -167.1 | -157.6 | 142.2 | 0 | 110.3 | D859 E860 L861 | K857-D859 VanDerWaalsContact C-N 3.28Å; K857-D859 PolarHBondContact O-N 2.69Å; K857-E860 HydrophobicContact CB-CB 4.04Å; K857-E860 HydrophobicContact CB-CG 3.96Å; K857-E860 HydrophobicContact CD-CG 4.26Å; K857-E860 WeakPolarHBondContact CD-OE1 3.19Å; K857-E860 WeakPolarHBondContact CE-OE1 3.2Å; K857-E860 IonicContact NZ-OE1 3.09Å; K857-E860 PolarHBondContact NZ-OE1 3.23Å; K857-E860 PolarHBondContact O-N 3.33Å; K857-L861 PolarHBondContact O-N 3.45Å | ||
| 858 | I | 68.2 | Low | 68.7 | Low | 29 Ų | 29 | 68.8 Ų | 68.8 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 179.8 | -52.3 | -170.8 | 0 | 0 | 0 | 109.7 | F856 E860 L861 V862 W877 L878 | F856-I858 PolarHBondContact O-N 3.09Å; I858-E860 PolarHBondContact O-N 3.2Å; I858-L861 PolarHBondContact O-N 3.14Å; I858-V862 HydrophobicContact CG2-CG2 3.9Å; I858-V862 VanDerWaalsContact O-CB 3.31Å; I858-V862 WeakPolarHBondContact O-CB 3.31Å; I858-V862 WeakPolarHBondContact O-CG2 3.13Å; I858-V862 PolarHBondContact O-N 3.4Å; I858-W877 HydrophobicContact CD1-CH2 3.85Å; I858-W877 HydrophobicContact CD1-CZ3 4.31Å; I858-W877 HydrophobicContact CG1-CH2 3.92Å; I858-W877 HydrophobicContact CG1-CZ3 4.45Å; I858-W877 HydrophobicContact CG2-CH2 4.35Å; I858-W877 HydrophobicContact CG2-CZ3 4.03Å; I858-L878 HydrophobicContact CG2-CD2 4.41Å |
| 859 | D | 71.3 | Confident | 68.3 | Low | 109 Ų | 109 | 75.2 Ų | 75.2 | 58% | 0.583 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.4 | -43.1 | 176.8 | -60.8 | -30.8 | 0 | 0 | 0 | 112 | K857 V862 E863 | K857-D859 VanDerWaalsContact C-N 3.28Å; K857-D859 PolarHBondContact O-N 2.69Å; D859-V862 PolarHBondContact O-N 2.86Å; D859-E863 WeakPolarHBondContact O-CB 3.23Å; D859-E863 PolarHBondContact O-N 3.03Å |
| 860 | E | 72.2 | Confident | 68.3 | Low | 81 Ų | 81 | 81.9 Ų | 81.9 | 38% | 0.379 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.4 | -37.1 | 177.9 | -69.8 | 175.2 | -167 | 0 | 0 | 111.8 | K857 I858 E864 | K857-E860 HydrophobicContact CB-CB 4.04Å; K857-E860 HydrophobicContact CB-CG 3.96Å; K857-E860 HydrophobicContact CD-CG 4.26Å; K857-E860 WeakPolarHBondContact CD-OE1 3.19Å; K857-E860 WeakPolarHBondContact CE-OE1 3.2Å; K857-E860 IonicContact NZ-OE1 3.09Å; K857-E860 PolarHBondContact NZ-OE1 3.23Å; K857-E860 PolarHBondContact O-N 3.33Å; I858-E860 PolarHBondContact O-N 3.2Å; E860-E864 WeakPolarHBondContact O-CB 3.28Å; E860-E864 VanDerWaalsContact O-CG 3.23Å; E860-E864 WeakPolarHBondContact O-CG 3.42Å; E860-E864 PolarHBondContact O-N 3.08Å |
| 861 | L | 75.2 | Confident | 68.2 | Low | 3 Ų | 3 | 80.1 Ų | 80.1 | 2% | 0.016 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.2 | -46 | 173.8 | -176.2 | 72.1 | 0 | 0 | 0 | 111.2 | F856 K857 I858 E863 E864 V865 L874 | F856-L861 HydrophobicContact CD2-CB 3.78Å; F856-L861 HydrophobicContact CD2-CD2 4.12Å; F856-L861 HydrophobicContact CD2-CG 4.39Å; F856-L861 HydrophobicContact CE2-CB 3.65Å; F856-L861 HydrophobicContact CE2-CD1 4.44Å; F856-L861 HydrophobicContact CE2-CD2 3.2Å; F856-L861 HydrophobicContact CE2-CG 3.9Å; F856-L861 HydrophobicContact CZ-CD2 3.57Å; K857-L861 PolarHBondContact O-N 3.45Å; I858-L861 PolarHBondContact O-N 3.14Å; L861-E863 VanDerWaalsContact C-N 3.27Å; L861-E863 PolarHBondContact O-N 2.91Å; L861-E864 PolarHBondContact O-N 2.9Å; L861-V865 HydrophobicContact CD1-CG2 4.11Å; L861-V865 HydrophobicContact CG-CG2 4.22Å; L861-V865 VanDerWaalsContact O-CB 3.23Å; L861-V865 WeakPolarHBondContact O-CB 3.44Å; L861-V865 WeakPolarHBondContact O-CG2 3.25Å; L861-V865 PolarHBondContact O-N 2.86Å; L861-L874 HydrophobicContact CD2-CD1 4.43Å; L861-L874 HydrophobicContact CD2-CD2 3.84Å |
| 862 | V | 70.9 | Confident | 68.2 | Low | 27 Ų | 27 | 83.6 Ų | 83.6 | 16% | 0.164 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 177.5 | 171.1 | 0 | 0 | 0 | 0 | 109.1 | I858 D859 V865 E866 L871 L874 | I858-V862 HydrophobicContact CG2-CG2 3.9Å; I858-V862 VanDerWaalsContact O-CB 3.31Å; I858-V862 WeakPolarHBondContact O-CB 3.31Å; I858-V862 WeakPolarHBondContact O-CG2 3.13Å; I858-V862 PolarHBondContact O-N 3.4Å; D859-V862 PolarHBondContact O-N 2.86Å; V862-V865 CarbonylContact O-C 3.51Å; V862-V865 PolarHBondContact O-N 2.82Å; V862-E866 WeakPolarHBondContact O-CA 3.27Å; V862-E866 WeakPolarHBondContact O-CB 2.99Å; V862-E866 PolarHBondContact O-N 2.85Å; V862-L871 HydrophobicContact CG1-CD1 4.03Å; V862-L871 HydrophobicContact CG1-CD2 4.13Å; V862-L871 HydrophobicContact CG1-CG 4.14Å; V862-L874 HydrophobicContact CG2-CD1 3.76Å |
| 863 | E | 70.4 | Confident | 68.6 | Low | 95 Ų | 95 | 86.2 Ų | 86.2 | 44% | 0.444 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.7 | -48.7 | 176.5 | -168.9 | -170.8 | 160 | 0 | 0 | 112.2 | D859 L861 V865 E866 K867 | D859-E863 WeakPolarHBondContact O-CB 3.23Å; D859-E863 PolarHBondContact O-N 3.03Å; L861-E863 VanDerWaalsContact C-N 3.27Å; L861-E863 PolarHBondContact O-N 2.91Å; E863-V865 PolarHBondContact O-N 2.91Å; E863-E866 PolarHBondContact O-N 3.26Å; E863-K867 HydrophobicContact CG-CD 4.36Å; E863-K867 VanDerWaalsContact O-CB 3.27Å; E863-K867 WeakPolarHBondContact O-CB 3.39Å; E863-K867 VanDerWaalsContact O-CG 3.25Å; E863-K867 WeakPolarHBondContact O-CG 3.33Å; E863-K867 PolarHBondContact O-N 3.38Å; E863-K867 WeakPolarHBondContact OE1-CE 3.46Å; E863-K867 IonicContact OE1-NZ 2.84Å; E863-K867 PolarHBondContact OE1-NZ 3.19Å |
| 864 | E | 73.6 | Confident | 69.5 | Low | 52 Ų | 52 | 80.9 Ų | 80.9 | 24% | 0.243 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.9 | -30.6 | 176.7 | -79.4 | -66.4 | 116.5 | 0 | 0 | 111.6 | P829 E860 L861 K867 R868 | P829-E864 HydrophobicContact CB-CG 4.28Å; E860-E864 WeakPolarHBondContact O-CB 3.28Å; E860-E864 VanDerWaalsContact O-CG 3.23Å; E860-E864 WeakPolarHBondContact O-CG 3.42Å; E860-E864 PolarHBondContact O-N 3.08Å; L861-E864 PolarHBondContact O-N 2.9Å; E864-K867 IonicContact OE1-NZ 2.61Å; E864-R868 VanDerWaalsContact C-NH1 3.34Å; E864-R868 VanDerWaalsContact CB-NH1 3.27Å; E864-R868 WeakPolarHBondContact O-CD 3.46Å; E864-R868 WeakPolarHBondContact O-CG 3.48Å; E864-R868 PolarHBondContact O-NH1 2.83Å; E864-R868 IonicContact OE2-CZ 2.8Å; E864-R868 IonicContact OE2-NH1 3.41Å; E864-R868 PolarHBondContact OE2-NH1 2.84Å; E864-R868 IonicContact OE2-NH2 3.9Å; E864-R868 PolarHBondContact OE2-NH2 2.75Å |
| 865 | V | 75.4 | Confident | 70.1 | Confident | 16 Ų | 16 | 78 Ų | 78 | 10% | 0.097 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -87.6 | -33.4 | 177.3 | 174.8 | 0 | 0 | 0 | 0 | 112.5 | L861 V862 E863 R868 N869 R870 L874 | L861-V865 HydrophobicContact CD1-CG2 4.11Å; L861-V865 HydrophobicContact CG-CG2 4.22Å; L861-V865 VanDerWaalsContact O-CB 3.23Å; L861-V865 WeakPolarHBondContact O-CB 3.44Å; L861-V865 WeakPolarHBondContact O-CG2 3.25Å; L861-V865 PolarHBondContact O-N 2.86Å; V862-V865 CarbonylContact O-C 3.51Å; V862-V865 PolarHBondContact O-N 2.82Å; E863-V865 PolarHBondContact O-N 2.91Å; V865-R868 CarbonylContact O-C 3.46Å; V865-R868 PolarHBondContact O-N 2.97Å; V865-N869 PolarHBondContact O-N 3.24Å; V865-R870 VanDerWaalsContact CG1-C 3.42Å; V865-R870 HydrophobicContact CG1-CB 3.82Å; V865-R870 WeakPolarHBondContact CG1-O 3.31Å; V865-R870 PolarHBondContact O-N 2.97Å; V865-L874 HydrophobicContact CG1-CD1 4.46Å |
| 866 | E | 70 | Confident | 70.8 | Confident | 107 Ų | 107 | 80 Ų | 80 | 50% | 0.5 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.4 | -42.7 | 175.1 | -178.3 | 173.7 | -163.3 | 0 | 0 | 110.6 | V862 E863 R868 N869 L871 | V862-E866 WeakPolarHBondContact O-CA 3.27Å; V862-E866 WeakPolarHBondContact O-CB 2.99Å; V862-E866 PolarHBondContact O-N 2.85Å; E863-E866 PolarHBondContact O-N 3.26Å; E866-R868 PolarHBondContact O-N 2.89Å; E866-N869 WeakPolarHBondContact O-CA 3.24Å; E866-N869 PolarHBondContact O-N 2.77Å; E866-L871 HydrophobicContact CB-CD1 3.78Å; E866-L871 HydrophobicContact CG-CD1 3.83Å |
| 867 | K | 66 | Low | 71.3 | Confident | 131 Ų | 131 | 80.1 Ų | 80.1 | 57% | 0.57 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -27.3 | 169.6 | -79.7 | 174.6 | -176.5 | 160.5 | 0 | 112.4 | E863 E864 | E863-K867 HydrophobicContact CG-CD 4.36Å; E863-K867 VanDerWaalsContact O-CB 3.27Å; E863-K867 WeakPolarHBondContact O-CB 3.39Å; E863-K867 VanDerWaalsContact O-CG 3.25Å; E863-K867 WeakPolarHBondContact O-CG 3.33Å; E863-K867 PolarHBondContact O-N 3.38Å; E863-K867 WeakPolarHBondContact OE1-CE 3.46Å; E863-K867 IonicContact OE1-NZ 2.84Å; E863-K867 PolarHBondContact OE1-NZ 3.19Å; E864-K867 IonicContact OE1-NZ 2.61Å |
| 868 | R | 71.8 | Confident | 71.6 | Confident | 105 Ų | 105 | 74.1 Ų | 74.1 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 6.6 | -179.4 | -60.1 | 167.7 | -175.4 | 124.5 | -4.5 | 112.3 | E864 V865 E866 R870 | E864-R868 VanDerWaalsContact C-NH1 3.34Å; E864-R868 VanDerWaalsContact CB-NH1 3.27Å; E864-R868 WeakPolarHBondContact O-CD 3.46Å; E864-R868 WeakPolarHBondContact O-CG 3.48Å; E864-R868 PolarHBondContact O-NH1 2.83Å; E864-R868 IonicContact OE2-CZ 2.8Å; E864-R868 IonicContact OE2-NH1 3.41Å; E864-R868 PolarHBondContact OE2-NH1 2.84Å; E864-R868 IonicContact OE2-NH2 3.9Å; E864-R868 PolarHBondContact OE2-NH2 2.75Å; V865-R868 CarbonylContact O-C 3.46Å; V865-R868 PolarHBondContact O-N 2.97Å; E866-R868 PolarHBondContact O-N 2.89Å; R868-R870 WeakPolarHBondContact O-CG 3.45Å; R868-R870 PolarHBondContact O-N 2.83Å |
| 869 | N | 65.6 | Low | 71.9 | Confident | 148 Ų | 148 | 76.7 Ų | 76.7 | 79% | 0.791 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 36.4 | 178 | -78.2 | -42.4 | 0 | 0 | 0 | 115.8 | V865 E866 | V865-N869 PolarHBondContact O-N 3.24Å; E866-N869 WeakPolarHBondContact O-CA 3.24Å; E866-N869 PolarHBondContact O-N 2.77Å |
| 870 | R | 71.2 | Confident | 72.1 | Confident | 152 Ų | 152 | 74 Ų | 74 | 57% | 0.574 | 36% | 0.355 | S | S | * | . | trans | -117.7 | 26.5 | -176.8 | -61.9 | -64.8 | -176.3 | 141.3 | 4.1 | 114.2 | E842 V865 R868 K872 L873 | E842-R870 IonicContact OE1-NH1 3.24Å; V865-R870 VanDerWaalsContact CG1-C 3.42Å; V865-R870 HydrophobicContact CG1-CB 3.82Å; V865-R870 WeakPolarHBondContact CG1-O 3.31Å; V865-R870 PolarHBondContact O-N 2.97Å; R868-R870 WeakPolarHBondContact O-CG 3.45Å; R868-R870 PolarHBondContact O-N 2.83Å; R870-K872 VanDerWaalsContact C-N 3.27Å; R870-K872 PolarHBondContact O-N 2.88Å; R870-K872 VanDerWaalsContact O-N 3.11Å; R870-L873 WeakPolarHBondContact O-CB 3Å; R870-L873 PolarHBondContact O-N 3.37Å | ||
| 871 | L | 69.5 | Low | 72 | Confident | 60 Ų | 60 | 72.8 Ų | 72.8 | 31% | 0.314 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -57.6 | -30.9 | -171.8 | -131.8 | 154.4 | 0 | 0 | 0 | 114.6 | V862 E866 L873 L874 | V862-L871 HydrophobicContact CG1-CD1 4.03Å; V862-L871 HydrophobicContact CG1-CD2 4.13Å; V862-L871 HydrophobicContact CG1-CG 4.14Å; E866-L871 HydrophobicContact CB-CD1 3.78Å; E866-L871 HydrophobicContact CG-CD1 3.83Å; L871-L873 PolarHBondContact O-N 3.5Å; L871-L874 PolarHBondContact O-N 3.08Å; L871-L874 VanDerWaalsContact O-N 3.12Å |
| 872 | K | 68.8 | Low | 71.5 | Confident | 191 Ų | 191 | 75.1 Ų | 75.1 | 83% | 0.83 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -60.9 | -21.4 | 172.9 | -72.7 | -172.1 | 179 | -177.6 | 0 | 113.9 | R870 L874 L875 | R870-K872 VanDerWaalsContact C-N 3.27Å; R870-K872 PolarHBondContact O-N 2.88Å; R870-K872 VanDerWaalsContact O-N 3.11Å; K872-L874 PolarHBondContact O-N 3.31Å; K872-L874 VanDerWaalsContact O-N 3.17Å; K872-L875 PolarHBondContact O-N 3.46Å |
| 873 | L | 73.1 | Confident | 71.5 | Confident | 65 Ų | 65 | 81.9 Ų | 81.9 | 34% | 0.34 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -58.3 | -24.4 | 174.8 | -167.7 | 102.7 | 0 | 0 | 0 | 111.7 | K846 I849 R870 L871 | K846-L873 HydrophobicContact CG-CD1 4.42Å; I849-L873 HydrophobicContact CD1-CD2 4.29Å; R870-L873 WeakPolarHBondContact O-CB 3Å; R870-L873 PolarHBondContact O-N 3.37Å; L871-L873 PolarHBondContact O-N 3.5Å |
| 874 | L | 77 | Confident | 71.5 | Confident | 2 Ų | 2 | 83.5 Ų | 83.5 | 1% | 0.01 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -97.2 | -14.2 | -174.9 | -56.8 | 177.4 | 0 | 0 | 0 | 114.5 | L861 V862 V865 L871 K872 W877 L878 | L861-L874 HydrophobicContact CD2-CD1 4.43Å; L861-L874 HydrophobicContact CD2-CD2 3.84Å; V862-L874 HydrophobicContact CG2-CD1 3.76Å; V865-L874 HydrophobicContact CG1-CD1 4.46Å; L871-L874 PolarHBondContact O-N 3.08Å; L871-L874 VanDerWaalsContact O-N 3.12Å; K872-L874 PolarHBondContact O-N 3.31Å; K872-L874 VanDerWaalsContact O-N 3.17Å; L874-W877 WeakPolarHBondContact O-CA 3.42Å; L874-W877 WeakPolarHBondContact O-CB 3.4Å; L874-W877 PolarHBondContact O-N 3.01Å; L874-L878 HydrophobicContact CB-CD1 4.49Å; L874-L878 PolarHBondContact O-N 2.9Å |
| 875 | L | 70.7 | Confident | 71.1 | Confident | 59 Ų | 59 | 83.5 Ų | 83.5 | 31% | 0.309 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -54.2 | -49 | -173.2 | 177.6 | 71.9 | 0 | 0 | 0 | 113.8 | K872 W877 L878 E879 I898 | K872-L875 PolarHBondContact O-N 3.46Å; L875-W877 PolarHBondContact O-N 3.42Å; L875-L878 PolarHBondContact O-N 3.32Å; L875-E879 HydrophobicContact CD1-CG 4.31Å; L875-E879 PolarHBondContact O-N 2.64Å; L875-E879 VanDerWaalsContact O-N 3.14Å; L875-I898 HydrophobicContact CD1-CD1 4.01Å; L875-I898 HydrophobicContact CD1-CG2 3.99Å |
| 876 | P | 74.9 | Confident | 70.2 | Confident | 94 Ų | 94 | 83.8 Ų | 83.8 | 61% | 0.61 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.6 | -29 | 179 | -21 | 33.7 | 0 | 0 | 0 | 112.7 | ||
| 877 | W | 74.6 | Confident | 70.1 | Confident | 27 Ų | 27 | 83.6 Ų | 83.6 | 10% | 0.102 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -77.1 | -40.5 | 179.1 | 178.3 | 74.3 | 0 | 0 | 0 | 111.6 | F856 I858 L874 L875 S880 R881 | F856-W877 HydrophobicContact CE2-CH2 4.25Å; F856-W877 HydrophobicContact CZ-CH2 4.25Å; F856-W877 HydrophobicContact CZ-CZ2 4.23Å; I858-W877 HydrophobicContact CD1-CH2 3.85Å; I858-W877 HydrophobicContact CD1-CZ3 4.31Å; I858-W877 HydrophobicContact CG1-CH2 3.92Å; I858-W877 HydrophobicContact CG1-CZ3 4.45Å; I858-W877 HydrophobicContact CG2-CH2 4.35Å; I858-W877 HydrophobicContact CG2-CZ3 4.03Å; L874-W877 WeakPolarHBondContact O-CA 3.42Å; L874-W877 WeakPolarHBondContact O-CB 3.4Å; L874-W877 PolarHBondContact O-N 3.01Å; L875-W877 PolarHBondContact O-N 3.42Å; W877-S880 PolarHBondContact O-N 3.13Å; W877-S880 PolarHBondContact O-OG 3.31Å; W877-R881 PolarHBondContact O-N 3.07Å |
| 878 | L | 74 | Confident | 70.4 | Confident | 3 Ų | 3 | 79.8 Ų | 79.8 | 2% | 0.016 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 178.2 | -68.1 | 173.8 | 0 | 0 | 0 | 113.3 | I858 L874 L875 S880 R881 I882 A894 V895 I898 | I858-L878 HydrophobicContact CG2-CD2 4.41Å; L874-L878 HydrophobicContact CB-CD1 4.49Å; L874-L878 PolarHBondContact O-N 2.9Å; L875-L878 PolarHBondContact O-N 3.32Å; L878-S880 VanDerWaalsContact C-N 3.29Å; L878-S880 PolarHBondContact O-N 2.63Å; L878-R881 WeakPolarHBondContact O-CB 3.29Å; L878-R881 PolarHBondContact O-N 2.97Å; L878-R881 VanDerWaalsContact O-N 3.15Å; L878-I882 PolarHBondContact O-N 2.85Å; L878-A894 HydrophobicContact CD1-CB 4.4Å; L878-V895 HydrophobicContact CB-CG2 4.42Å; L878-I898 HydrophobicContact CD1-CD1 4.39Å |
| 879 | E | 74.4 | Confident | 70.2 | Confident | 83 Ų | 83 | 77 Ų | 77 | 39% | 0.388 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.7 | -36.3 | 176.8 | -70 | -175.9 | 147.6 | 0 | 0 | 111.8 | L875 R881 I882 H883 Y899 | L875-E879 HydrophobicContact CD1-CG 4.31Å; L875-E879 PolarHBondContact O-N 2.64Å; L875-E879 VanDerWaalsContact O-N 3.14Å; E879-R881 PolarHBondContact O-N 3.21Å; E879-I882 PolarHBondContact O-N 3.26Å; E879-H883 PolarHBondContact O-N 3.49Å; E879-H883 VanDerWaalsContact O-N 3.16Å; E879-Y899 PolarHBondContact OE1-OH 3.38Å |
| 880 | S | 74.1 | Confident | 70.1 | Confident | 52 Ų | 52 | 71.9 Ų | 71.9 | 36% | 0.364 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.7 | -34.4 | 174.5 | 79.7 | 0 | 0 | 0 | 0 | 112.3 | W877 L878 H883 D884 | W877-S880 PolarHBondContact O-N 3.13Å; W877-S880 PolarHBondContact O-OG 3.31Å; L878-S880 VanDerWaalsContact C-N 3.29Å; L878-S880 PolarHBondContact O-N 2.63Å; S880-H883 PolarHBondContact O-N 3.45Å; S880-D884 VanDerWaalsContact O-CG 3.27Å; S880-D884 PolarHBondContact O-N 3.18Å |
| 881 | R | 70 | Confident | 70.1 | Confident | 56 Ų | 56 | 64.7 Ų | 64.7 | 21% | 0.211 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -70.6 | -38.4 | 178.4 | -82.1 | -73.5 | -155.6 | 111.8 | -1.7 | 113.7 | N854 W877 L878 E879 H883 D884 G885 A886 T891 | N854-R881 PolarHBondContact OD1-NH2 3.42Å; W877-R881 PolarHBondContact O-N 3.07Å; L878-R881 WeakPolarHBondContact O-CB 3.29Å; L878-R881 PolarHBondContact O-N 2.97Å; L878-R881 VanDerWaalsContact O-N 3.15Å; E879-R881 PolarHBondContact O-N 3.21Å; R881-H883 VanDerWaalsContact C-N 3.33Å; R881-D884 PolarHBondContact O-N 2.84Å; R881-G885 PolarHBondContact O-N 3.02Å; R881-A886 HydrophobicContact CB-CB 4.37Å; R881-A886 VanDerWaalsContact O-CB 3.24Å; R881-A886 WeakPolarHBondContact O-CB 3.47Å; R881-A886 PolarHBondContact O-N 3.44Å; R881-A886 VanDerWaalsContact O-N 3.12Å; R881-T891 HydrophobicContact CB-CG2 4.32Å |
| 882 | I | 65.2 | Low | 70.3 | Confident | 52 Ų | 52 | 62.4 Ų | 62.4 | 27% | 0.267 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.6 | -38.5 | 175.3 | -66.4 | -175 | 0 | 0 | 0 | 110.4 | L878 E879 D884 G885 T891 V895 | L878-I882 PolarHBondContact O-N 2.85Å; E879-I882 PolarHBondContact O-N 3.26Å; I882-D884 VanDerWaalsContact C-N 3.28Å; I882-D884 PolarHBondContact O-N 2.9Å; I882-G885 PolarHBondContact O-N 3.1Å; I882-T891 HydrophobicContact CD1-CG2 4.23Å; I882-T891 HydrophobicContact CG1-CG2 3.68Å; I882-V895 HydrophobicContact CD1-CB 3.59Å; I882-V895 HydrophobicContact CD1-CG1 3.67Å; I882-V895 HydrophobicContact CD1-CG2 3.46Å; I882-V895 VanDerWaalsContact CD1-CG2 3.46Å; I882-V895 HydrophobicContact CG1-CG2 4.44Å |
| 883 | H | 72.2 | Confident | 70.6 | Confident | 169 Ų | 169 | 55.1 Ų | 55.1 | 78% | 0.782 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.5 | -36.3 | 175.2 | -167.3 | 66.8 | 0 | 0 | 0 | 112.2 | E879 S880 R881 G885 | E879-H883 PolarHBondContact O-N 3.49Å; E879-H883 VanDerWaalsContact O-N 3.16Å; S880-H883 PolarHBondContact O-N 3.45Å; R881-H883 VanDerWaalsContact C-N 3.33Å; H883-G885 PolarHBondContact O-N 2.81Å |
| 884 | D | 69.2 | Low | 70.4 | Confident | 130 Ų | 130 | 53.4 Ų | 53.4 | 70% | 0.695 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -1 | 173.6 | -68.6 | -14.8 | 0 | 0 | 0 | 113.4 | S880 R881 I882 | S880-D884 VanDerWaalsContact O-CG 3.27Å; S880-D884 PolarHBondContact O-N 3.18Å; R881-D884 PolarHBondContact O-N 2.84Å; I882-D884 VanDerWaalsContact C-N 3.28Å; I882-D884 PolarHBondContact O-N 2.9Å |
| 885 | G | 65.4 | Low | 70.3 | Confident | 52 Ų | 52 | 53.3 Ų | 53.3 | 54% | 0.536 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 23.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R881 I882 H883 T887 | R881-G885 PolarHBondContact O-N 3.02Å; I882-G885 PolarHBondContact O-N 3.1Å; H883-G885 PolarHBondContact O-N 2.81Å; G885-T887 PolarHBondContact O-N 3.12Å |
| 886 | A | 56.5 | Low | 70.2 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 17% | 0.174 | 30% | 0.3 | C | S | . | . | trans | -64.2 | 127.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R881 D888 H892 | R881-A886 HydrophobicContact CB-CB 4.37Å; R881-A886 VanDerWaalsContact O-CB 3.24Å; R881-A886 WeakPolarHBondContact O-CB 3.47Å; R881-A886 PolarHBondContact O-N 3.44Å; R881-A886 VanDerWaalsContact O-N 3.12Å; A886-D888 WeakPolarHBondContact CB-OD1 3.19Å; A886-H892 PolarHBondContact O-NE2 3.11Å | ||
| 887 | T | 68.8 | Low | 70.1 | Confident | 103 Ų | 103 | 51.8 Ų | 51.8 | 63% | 0.632 | 30% | 0.295 | S | S | * | . | trans | -101.2 | 1.2 | -177.3 | 52.7 | 0 | 0 | 0 | 0 | 113.4 | G885 A889 | G885-T887 PolarHBondContact O-N 3.12Å; T887-A889 PolarHBondContact O-N 2.8Å | ||
| 888 | D | 71.2 | Confident | 69.9 | Low | 51 Ų | 51 | 53 Ų | 53 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | trans | -68 | 130.2 | -174.5 | 63.5 | -80 | 0 | 0 | 0 | 111 | A886 A890 T891 H892 | A886-D888 WeakPolarHBondContact CB-OD1 3.19Å; D888-A890 PolarHBondContact O-N 3.31Å; D888-A890 VanDerWaalsContact O-N 3.14Å; D888-T891 PolarHBondContact O-N 3.12Å; D888-T891 PolarHBondContact OD1-OG1 3.08Å; D888-T891 VanDerWaalsContact OD1-OG1 3.14Å; D888-T891 WeakPolarHBondContact OD2-CB 3.33Å; D888-T891 PolarHBondContact OD2-N 2.63Å; D888-T891 PolarHBondContact OD2-OG1 3.42Å; D888-H892 PolarHBondContact O-CD2 3.25Å; D888-H892 PolarHBondContact O-N 3.22Å; D888-H892 VanDerWaalsContact O-N 3.17Å | ||
| 889 | A | 68 | Low | 69.7 | Low | 47 Ų | 47 | 55.7 Ų | 55.7 | 39% | 0.388 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.1 | -29.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T887 H892 N893 | T887-A889 PolarHBondContact O-N 2.8Å; A889-H892 PolarHBondContact O-N 3.15Å; A889-N893 WeakPolarHBondContact O-CA 3.32Å; A889-N893 WeakPolarHBondContact O-CB 3.42Å; A889-N893 PolarHBondContact O-N 3.21Å; A889-N893 PolarHBondContact O-ND2 3.41Å; A889-N893 VanDerWaalsContact O-ND2 3.08Å; A889-N893 PolarHBondContact O-OD1 3.01Å |
| 890 | A | 63 | Low | 69.3 | Low | 40 Ų | 40 | 53.2 Ų | 53.2 | 33% | 0.331 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D888 A894 | D888-A890 PolarHBondContact O-N 3.31Å; D888-A890 VanDerWaalsContact O-N 3.14Å; A890-A894 VanDerWaalsContact O-CB 3.26Å; A890-A894 WeakPolarHBondContact O-CB 3.24Å; A890-A894 PolarHBondContact O-N 2.99Å |
| 891 | T | 72.1 | Confident | 69 | Low | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.1 | -47.4 | 175.5 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | R881 I882 D888 N893 A894 V895 | R881-T891 HydrophobicContact CB-CG2 4.32Å; I882-T891 HydrophobicContact CD1-CG2 4.23Å; I882-T891 HydrophobicContact CG1-CG2 3.68Å; D888-T891 PolarHBondContact O-N 3.12Å; D888-T891 PolarHBondContact OD1-OG1 3.08Å; D888-T891 VanDerWaalsContact OD1-OG1 3.14Å; D888-T891 WeakPolarHBondContact OD2-CB 3.33Å; D888-T891 PolarHBondContact OD2-N 2.63Å; D888-T891 PolarHBondContact OD2-OG1 3.42Å; T891-N893 PolarHBondContact O-N 3.44Å; T891-A894 PolarHBondContact O-N 3.23Å; T891-V895 WeakPolarHBondContact O-CB 3.38Å; T891-V895 WeakPolarHBondContact O-CG2 3.07Å; T891-V895 PolarHBondContact O-N 3.43Å |
| 892 | H | 72.7 | Confident | 69 | Low | 13 Ų | 13 | 56.2 Ų | 56.2 | 6% | 0.06 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.9 | -33.2 | 178.9 | -72.9 | -70.1 | 0 | 0 | 0 | 113.1 | A886 D888 A889 A896 N913 | A886-H892 PolarHBondContact O-NE2 3.11Å; D888-H892 PolarHBondContact O-CD2 3.25Å; D888-H892 PolarHBondContact O-N 3.22Å; D888-H892 VanDerWaalsContact O-N 3.17Å; A889-H892 PolarHBondContact O-N 3.15Å; H892-A896 WeakPolarHBondContact O-CA 3.17Å; H892-A896 WeakPolarHBondContact O-CB 3.11Å; H892-A896 PolarHBondContact O-N 3.4Å; H892-N913 PolarHBondContact ND1-ND2 3.04Å |
| 893 | N | 74.8 | Confident | 68.8 | Low | 37 Ų | 37 | 59.9 Ų | 59.9 | 20% | 0.198 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70.8 | -43.5 | 174.6 | -70.5 | -19.5 | 0 | 0 | 0 | 110.4 | A889 T891 V895 A896 K897 | A889-N893 WeakPolarHBondContact O-CA 3.32Å; A889-N893 WeakPolarHBondContact O-CB 3.42Å; A889-N893 PolarHBondContact O-N 3.21Å; A889-N893 PolarHBondContact O-ND2 3.41Å; A889-N893 VanDerWaalsContact O-ND2 3.08Å; A889-N893 PolarHBondContact O-OD1 3.01Å; T891-N893 PolarHBondContact O-N 3.44Å; N893-V895 VanDerWaalsContact C-N 3.3Å; N893-V895 PolarHBondContact O-N 3.37Å; N893-A896 PolarHBondContact O-N 3.11Å; N893-K897 VanDerWaalsContact O-CB 3.26Å; N893-K897 WeakPolarHBondContact O-CB 3.21Å; N893-K897 WeakPolarHBondContact O-CD 3.18Å; N893-K897 WeakPolarHBondContact O-CG 3.38Å; N893-K897 PolarHBondContact O-N 3.4Å |
| 894 | A | 70.2 | Confident | 68.1 | Low | 29 Ų | 29 | 56 Ų | 56 | 24% | 0.24 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L878 A890 T891 I898 | L878-A894 HydrophobicContact CD1-CB 4.4Å; A890-A894 VanDerWaalsContact O-CB 3.26Å; A890-A894 WeakPolarHBondContact O-CB 3.24Å; A890-A894 PolarHBondContact O-N 2.99Å; T891-A894 PolarHBondContact O-N 3.23Å; A894-I898 WeakPolarHBondContact O-CB 3.48Å; A894-I898 VanDerWaalsContact O-CD1 3.28Å; A894-I898 WeakPolarHBondContact O-CD1 3.43Å; A894-I898 WeakPolarHBondContact O-CG1 3.4Å; A894-I898 PolarHBondContact O-N 2.9Å |
| 895 | V | 74.5 | Confident | 67.7 | Low | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -75.5 | -39.5 | 178 | 174.3 | 0 | 0 | 0 | 0 | 113.1 | L878 I882 T891 N893 K897 I898 Y899 | L878-V895 HydrophobicContact CB-CG2 4.42Å; I882-V895 HydrophobicContact CD1-CB 3.59Å; I882-V895 HydrophobicContact CD1-CG1 3.67Å; I882-V895 HydrophobicContact CD1-CG2 3.46Å; I882-V895 VanDerWaalsContact CD1-CG2 3.46Å; I882-V895 HydrophobicContact CG1-CG2 4.44Å; T891-V895 WeakPolarHBondContact O-CB 3.38Å; T891-V895 WeakPolarHBondContact O-CG2 3.07Å; T891-V895 PolarHBondContact O-N 3.43Å; N893-V895 VanDerWaalsContact C-N 3.3Å; N893-V895 PolarHBondContact O-N 3.37Å; V895-K897 VanDerWaalsContact C-N 3.31Å; V895-K897 PolarHBondContact O-N 3.43Å; V895-I898 CarbonylContact O-C 3.53Å; V895-I898 PolarHBondContact O-N 3.44Å; V895-Y899 HydrophobicContact CG1-CD1 4.28Å; V895-Y899 HydrophobicContact CG1-CD2 3.6Å; V895-Y899 HydrophobicContact CG1-CE1 4.1Å; V895-Y899 HydrophobicContact CG1-CE2 3.38Å; V895-Y899 HydrophobicContact CG1-CG 4.05Å; V895-Y899 WeakPolarHBondContact O-CB 3.4Å; V895-Y899 PolarHBondContact O-N 2.85Å |
| 896 | A | 68.2 | Low | 67.3 | Low | 2 Ų | 2 | 54.6 Ų | 54.6 | 2% | 0.017 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | H892 N893 Y899 I900 F909 I921 | H892-A896 WeakPolarHBondContact O-CA 3.17Å; H892-A896 WeakPolarHBondContact O-CB 3.11Å; H892-A896 PolarHBondContact O-N 3.4Å; N893-A896 PolarHBondContact O-N 3.11Å; A896-Y899 PolarHBondContact O-N 2.82Å; A896-I900 VanDerWaalsContact O-CB 3.26Å; A896-I900 WeakPolarHBondContact O-CB 3.43Å; A896-I900 WeakPolarHBondContact O-CD1 3.22Å; A896-I900 WeakPolarHBondContact O-CG1 3.29Å; A896-I900 PolarHBondContact O-N 3.38Å; A896-F909 HydrophobicContact CB-CE1 4.01Å; A896-F909 HydrophobicContact CB-CZ 4.43Å; A896-I921 HydrophobicContact CB-CD1 4.23Å |
| 897 | K | 74.1 | Confident | 67.3 | Low | 118 Ų | 118 | 59.4 Ų | 59.4 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.2 | -50.2 | 170.6 | -74.3 | 171 | -177.4 | -178.6 | 0 | 110.9 | N893 V895 Y899 D901 | N893-K897 VanDerWaalsContact O-CB 3.26Å; N893-K897 WeakPolarHBondContact O-CB 3.21Å; N893-K897 WeakPolarHBondContact O-CD 3.18Å; N893-K897 WeakPolarHBondContact O-CG 3.38Å; N893-K897 PolarHBondContact O-N 3.4Å; V895-K897 VanDerWaalsContact C-N 3.31Å; V895-K897 PolarHBondContact O-N 3.43Å; K897-Y899 PolarHBondContact O-N 2.75Å; K897-D901 WeakPolarHBondContact O-CB 3.21Å; K897-D901 VanDerWaalsContact O-CG 3.3Å; K897-D901 PolarHBondContact O-N 3.28Å |
| 898 | I | 70.4 | Confident | 66.8 | Low | 52 Ų | 52 | 63.1 Ų | 63.1 | 27% | 0.267 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.3 | -43.8 | 176.2 | -67.9 | 161.4 | 0 | 0 | 0 | 111.3 | L875 L878 A894 V895 D901 S902 | L875-I898 HydrophobicContact CD1-CD1 4.01Å; L875-I898 HydrophobicContact CD1-CG2 3.99Å; L878-I898 HydrophobicContact CD1-CD1 4.39Å; A894-I898 WeakPolarHBondContact O-CB 3.48Å; A894-I898 VanDerWaalsContact O-CD1 3.28Å; A894-I898 WeakPolarHBondContact O-CD1 3.43Å; A894-I898 WeakPolarHBondContact O-CG1 3.4Å; A894-I898 PolarHBondContact O-N 2.9Å; V895-I898 CarbonylContact O-C 3.53Å; V895-I898 PolarHBondContact O-N 3.44Å; I898-D901 PolarHBondContact O-N 2.8Å; I898-S902 VanDerWaalsContact O-CB 3.29Å; I898-S902 WeakPolarHBondContact O-CB 3.43Å; I898-S902 PolarHBondContact O-N 2.89Å; I898-S902 PolarHBondContact O-OG 3.39Å |
| 899 | Y | 68.9 | Low | 66.6 | Low | 60 Ų | 60 | 63 Ų | 63 | 24% | 0.235 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -76.8 | -35.6 | -175.8 | -75.8 | -8.8 | 0 | 0 | 0 | 115 | E879 V895 A896 K897 D901 S902 N903 N904 | E879-Y899 PolarHBondContact OE1-OH 3.38Å; V895-Y899 HydrophobicContact CG1-CD1 4.28Å; V895-Y899 HydrophobicContact CG1-CD2 3.6Å; V895-Y899 HydrophobicContact CG1-CE1 4.1Å; V895-Y899 HydrophobicContact CG1-CE2 3.38Å; V895-Y899 HydrophobicContact CG1-CG 4.05Å; V895-Y899 WeakPolarHBondContact O-CB 3.4Å; V895-Y899 PolarHBondContact O-N 2.85Å; A896-Y899 PolarHBondContact O-N 2.82Å; K897-Y899 PolarHBondContact O-N 2.75Å; Y899-D901 VanDerWaalsContact C-N 3.31Å; Y899-S902 WeakPolarHBondContact CA-OG 3.23Å; Y899-S902 CarbonylContact O-C 3.54Å; Y899-S902 PolarHBondContact O-N 3.44Å; Y899-N903 WeakPolarHBondContact O-CA 3.21Å; Y899-N903 PolarHBondContact O-N 2.84Å; Y899-N904 HydrophobicContact CD1-CB 4.29Å; Y899-N904 HydrophobicContact CG-CB 4.41Å; Y899-N904 PolarHBondContact O-N 3.45Å |
| 900 | I | 65.9 | Low | 66.3 | Low | 32 Ų | 32 | 61.3 Ų | 61.3 | 16% | 0.164 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70 | -33.3 | 171.9 | -64.9 | 165.2 | 0 | 0 | 0 | 109.9 | A896 I921 Y924 R928 | A896-I900 VanDerWaalsContact O-CB 3.26Å; A896-I900 WeakPolarHBondContact O-CB 3.43Å; A896-I900 WeakPolarHBondContact O-CD1 3.22Å; A896-I900 WeakPolarHBondContact O-CG1 3.29Å; A896-I900 PolarHBondContact O-N 3.38Å; I900-I921 HydrophobicContact CD1-CD1 4.42Å; I900-I921 HydrophobicContact CD1-CG2 4.26Å; I900-Y924 HydrophobicContact CB-CE1 4.13Å; I900-Y924 HydrophobicContact CD1-CD1 3.95Å; I900-Y924 HydrophobicContact CD1-CE1 4.15Å; I900-Y924 HydrophobicContact CG2-CD1 4.1Å; I900-Y924 HydrophobicContact CG2-CE1 3.63Å; I900-R928 PolarHBondContact O-NH1 3.49Å |
| 901 | D | 68.9 | Low | 66.2 | Low | 100 Ų | 100 | 66.1 Ų | 66.1 | 54% | 0.535 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -78.4 | -27.7 | 173.7 | -70.1 | -18 | 0 | 0 | 0 | 113 | K897 I898 Y899 Y924 R928 | K897-D901 WeakPolarHBondContact O-CB 3.21Å; K897-D901 VanDerWaalsContact O-CG 3.3Å; K897-D901 PolarHBondContact O-N 3.28Å; I898-D901 PolarHBondContact O-N 2.8Å; Y899-D901 VanDerWaalsContact C-N 3.31Å; D901-Y924 PolarHBondContact OD1-OH 2.85Å; D901-R928 IonicContact OD1-CZ 2.83Å; D901-R928 IonicContact OD1-NH1 3.61Å; D901-R928 PolarHBondContact OD1-NH1 3.44Å; D901-R928 IonicContact OD1-NH2 3.69Å; D901-R928 PolarHBondContact OD1-NH2 3.3Å |
| 902 | S | 69.4 | Low | 65.6 | Low | 71 Ų | 71 | 70.8 Ų | 70.8 | 50% | 0.497 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -93.2 | -2 | 174.3 | 65.3 | 0 | 0 | 0 | 0 | 114.9 | I898 Y899 | I898-S902 VanDerWaalsContact O-CB 3.29Å; I898-S902 WeakPolarHBondContact O-CB 3.43Å; I898-S902 PolarHBondContact O-N 2.89Å; I898-S902 PolarHBondContact O-OG 3.39Å; Y899-S902 WeakPolarHBondContact CA-OG 3.23Å; Y899-S902 CarbonylContact O-C 3.54Å; Y899-S902 PolarHBondContact O-N 3.44Å |
| 903 | N | 60.8 | Low | 65.1 | Low | 129 Ų | 129 | 71.4 Ų | 71.4 | 69% | 0.69 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 51.6 | -177.9 | -162.7 | 25.8 | 0 | 0 | 0 | 115.5 | Y899 | Y899-N903 WeakPolarHBondContact O-CA 3.21Å; Y899-N903 PolarHBondContact O-N 2.84Å |
| 904 | N | 56.5 | Low | 64.6 | Low | 87 Ų | 87 | 77.5 Ų | 77.5 | 47% | 0.465 | 39% | 0.386 | S | S | . | . | trans | -104.7 | 85.1 | -176.7 | -163.8 | 11.6 | 0 | 0 | 0 | 112.4 | Y899 | Y899-N904 HydrophobicContact CD1-CB 4.29Å; Y899-N904 HydrophobicContact CG-CB 4.41Å; Y899-N904 PolarHBondContact O-N 3.45Å | ||
| 905 | N | 61.2 | Low | 64.4 | Low | 122 Ų | 122 | 78.6 Ų | 78.6 | 65% | 0.652 | 39% | 0.391 | S | S | * | . | trans | 47.8 | 61.7 | 176.5 | -79.7 | -32 | 0 | 0 | 0 | 116.5 | F909 | N905-F909 PolarHBondContact O-N 2.93Š| ||
| 906 | P | 56.5 | Low | 64.2 | Low | 30 Ų | 30 | 79.1 Ų | 79.1 | 20% | 0.195 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.7 | -37.7 | -177.1 | 27 | -33.9 | 0 | 0 | 0 | 114.2 | R908 F909 L910 | P906-R908 VanDerWaalsContact C-N 3.31Å; P906-R908 PolarHBondContact O-N 2.71Å; P906-F909 PolarHBondContact O-N 3.12Å; P906-F909 VanDerWaalsContact O-N 3.14Å; P906-L910 WeakPolarHBondContact O-CB 3.28Å; P906-L910 VanDerWaalsContact O-CG 3.28Å; P906-L910 WeakPolarHBondContact O-CG 3.36Å; P906-L910 PolarHBondContact O-N 2.82Å |
| 907 | E | 56.9 | Low | 64.1 | Low | 123 Ų | 123 | 82.8 Ų | 82.8 | 58% | 0.575 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -54.6 | -46.7 | -178.4 | -76.1 | 179.8 | -178.5 | 0 | 0 | 112.4 | L910 H911 L932 | E907-L910 PolarHBondContact O-N 3.31Å; E907-H911 WeakPolarHBondContact O-CB 3.27Å; E907-H911 PolarHBondContact O-N 2.68Å; E907-L932 HydrophobicContact CB-CD2 4.37Å; E907-L932 HydrophobicContact CG-CD2 3.36Å |
| 908 | R | 59 | Low | 63.7 | Low | 181 Ų | 181 | 78.9 Ų | 78.9 | 68% | 0.683 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -70.4 | -41 | 179 | -169 | 173.1 | -177.2 | 178 | 4.2 | 111.5 | P906 L910 H911 D912 | P906-R908 VanDerWaalsContact C-N 3.31Å; P906-R908 PolarHBondContact O-N 2.71Å; R908-L910 VanDerWaalsContact C-N 3.27Å; R908-L910 PolarHBondContact O-N 3.27Å; R908-H911 PolarHBondContact O-N 3.4Å; R908-D912 WeakPolarHBondContact CG-OD2 3.36Å; R908-D912 IonicContact NE-OD2 3.48Å; R908-D912 PolarHBondContact NE-OD2 3.05Å; R908-D912 WeakPolarHBondContact O-CB 3.1Å; R908-D912 VanDerWaalsContact O-CG 3.28Å; R908-D912 PolarHBondContact O-N 2.86Å |
| 909 | F | 66.7 | Low | 63.5 | Low | 49 Ų | 49 | 79.8 Ų | 79.8 | 22% | 0.215 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.7 | -36.2 | 175.2 | -173.5 | -92.3 | 0 | 0 | 0 | 111.8 | A896 N905 P906 N913 Y916 | A896-F909 HydrophobicContact CB-CE1 4.01Å; A896-F909 HydrophobicContact CB-CZ 4.43Å; N905-F909 PolarHBondContact O-N 2.93Å; P906-F909 PolarHBondContact O-N 3.12Å; P906-F909 VanDerWaalsContact O-N 3.14Å; F909-N913 HydrophobicContact CD1-CB 4.35Å; F909-N913 HydrophobicContact CD2-CB 4.31Å; F909-N913 HydrophobicContact CE1-CB 4.27Å; F909-N913 HydrophobicContact CE2-CB 4.25Å; F909-N913 WeakPolarHBondContact CE2-ND2 3.47Å; F909-N913 HydrophobicContact CG-CB 4.39Å; F909-N913 HydrophobicContact CZ-CB 4.24Å; F909-N913 WeakPolarHBondContact CZ-ND2 3.14Å; F909-N913 WeakPolarHBondContact O-CB 3.35Å; F909-N913 PolarHBondContact O-N 3.05Å; F909-Y916 HydrophobicContact CE1-CD1 4.41Å |
| 910 | L | 60.9 | Low | 63.2 | Low | 11 Ų | 11 | 80.9 Ų | 80.9 | 6% | 0.058 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -74.6 | -33.6 | 178.6 | -67.7 | 174 | 0 | 0 | 0 | 113.2 | P906 E907 R908 Y916 I921 L932 | P906-L910 WeakPolarHBondContact O-CB 3.28Å; P906-L910 VanDerWaalsContact O-CG 3.28Å; P906-L910 WeakPolarHBondContact O-CG 3.36Å; P906-L910 PolarHBondContact O-N 2.82Å; E907-L910 PolarHBondContact O-N 3.31Å; R908-L910 VanDerWaalsContact C-N 3.27Å; R908-L910 PolarHBondContact O-N 3.27Å; L910-Y916 WeakPolarHBondContact CA-OH 3.41Å; L910-Y916 HydrophobicContact CD2-CE1 4.02Å; L910-Y916 HydrophobicContact CD2-CE2 3.69Å; L910-Y916 VanDerWaalsContact CD2-CZ 3.43Å; L910-Y916 WeakPolarHBondContact CD2-OH 3.02Å; L910-Y916 PolarHBondContact O-OH 2.94Å; L910-I921 HydrophobicContact CD2-CG2 3.76Å; L910-L932 HydrophobicContact CD1-CB 4.33Å; L910-L932 HydrophobicContact CD1-CD2 4.28Å |
| 911 | H | 61.8 | Low | 63.5 | Low | 141 Ų | 141 | 79.8 Ų | 79.8 | 65% | 0.653 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -77.5 | -36.9 | 176.9 | -137.8 | -53 | 0 | 0 | 0 | 112.4 | E907 R908 | E907-H911 WeakPolarHBondContact O-CB 3.27Å; E907-H911 PolarHBondContact O-N 2.68Å; R908-H911 PolarHBondContact O-N 3.4Å |
| 912 | D | 59.7 | Low | 63.3 | Low | 99 Ų | 99 | 75.1 Ų | 75.1 | 53% | 0.529 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -95.5 | -34.7 | -170.9 | -65.6 | -10.1 | 0 | 0 | 0 | 113.2 | R908 | R908-D912 WeakPolarHBondContact CG-OD2 3.36Å; R908-D912 IonicContact NE-OD2 3.48Å; R908-D912 PolarHBondContact NE-OD2 3.05Å; R908-D912 WeakPolarHBondContact O-CB 3.1Å; R908-D912 VanDerWaalsContact O-CG 3.28Å; R908-D912 PolarHBondContact O-N 2.86Å |
| 913 | N | 61.4 | Low | 63.2 | Low | 26 Ų | 26 | 79.3 Ų | 79.3 | 14% | 0.139 | 41% | 0.407 | C | S | . | . | trans | -85.3 | 124.4 | -174 | -164.5 | -24.4 | 0 | 0 | 0 | 112.2 | H892 F909 C915 Y916 | H892-N913 PolarHBondContact ND1-ND2 3.04Å; F909-N913 HydrophobicContact CD1-CB 4.35Å; F909-N913 HydrophobicContact CD2-CB 4.31Å; F909-N913 HydrophobicContact CE1-CB 4.27Å; F909-N913 HydrophobicContact CE2-CB 4.25Å; F909-N913 WeakPolarHBondContact CE2-ND2 3.47Å; F909-N913 HydrophobicContact CG-CB 4.39Å; F909-N913 HydrophobicContact CZ-CB 4.24Å; F909-N913 WeakPolarHBondContact CZ-ND2 3.14Å; F909-N913 WeakPolarHBondContact O-CB 3.35Å; F909-N913 PolarHBondContact O-N 3.05Å; N913-C915 PolarHBondContact OD1-N 3.23Å; N913-Y916 HydrophobicContact CB-CD1 4.05Å; N913-Y916 HydrophobicContact CB-CE1 4.34Å; N913-Y916 VanDerWaalsContact O-CD1 3.32Å; N913-Y916 WeakPolarHBondContact O-CD1 3.38Å; N913-Y916 WeakPolarHBondContact O-CE1 3.4Å | ||
| 914 | Q | 65.4 | Low | 63.6 | Low | 165 Ų | 165 | 76.9 Ų | 76.9 | 77% | 0.771 | 39% | 0.388 | S | S | * | . | trans | -94.6 | -13.5 | -178 | -62.5 | -174.6 | 6.6 | 0 | 0 | 113.9 | ||||
| 915 | C | 65.1 | Low | 64 | Low | 52 Ų | 52 | 73 Ų | 73 | 35% | 0.351 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -96.2 | 0.5 | -167.2 | -58.2 | 0 | 0 | 0 | 0 | 114.7 | N913 | N913-C915 PolarHBondContact OD1-N 3.23Š|
| 916 | Y | 70.6 | Confident | 64.2 | Low | 11 Ų | 11 | 72.2 Ų | 72.2 | 4% | 0.043 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -93.4 | 150.6 | 174.7 | 77.2 | -91.8 | 0 | 0 | 0 | 111.5 | F909 L910 N913 S918 I921 | F909-Y916 HydrophobicContact CE1-CD1 4.41Å; L910-Y916 WeakPolarHBondContact CA-OH 3.41Å; L910-Y916 HydrophobicContact CD2-CE1 4.02Å; L910-Y916 HydrophobicContact CD2-CE2 3.69Å; L910-Y916 VanDerWaalsContact CD2-CZ 3.43Å; L910-Y916 WeakPolarHBondContact CD2-OH 3.02Å; L910-Y916 PolarHBondContact O-OH 2.94Å; N913-Y916 HydrophobicContact CB-CD1 4.05Å; N913-Y916 HydrophobicContact CB-CE1 4.34Å; N913-Y916 VanDerWaalsContact O-CD1 3.32Å; N913-Y916 WeakPolarHBondContact O-CD1 3.38Å; N913-Y916 WeakPolarHBondContact O-CE1 3.4Å; Y916-S918 PolarHBondContact O-N 3.23Å; Y916-I921 HydrophobicContact CD2-CB 3.85Å; Y916-I921 HydrophobicContact CD2-CG1 3.62Å; Y916-I921 HydrophobicContact CD2-CG2 4.34Å; Y916-I921 HydrophobicContact CE2-CB 4.06Å; Y916-I921 HydrophobicContact CE2-CG1 4.34Å; Y916-I921 HydrophobicContact CE2-CG2 4.27Å; Y916-I921 HydrophobicContact CG-CG1 4.38Å |
| 917 | D | 66.5 | Low | 64.4 | Low | 80 Ų | 80 | 80.4 Ų | 80.4 | 43% | 0.428 | 39% | 0.393 | S | S | . | . | trans | -78.7 | 110.6 | 175.9 | -175.9 | -22 | 0 | 0 | 0 | 110.7 | A919 V920 I921 | D917-A919 PolarHBondContact O-N 2.9Å; D917-A919 PolarHBondContact OD1-N 3.33Å; D917-V920 HydrophobicContact CB-CB 4.09Å; D917-V920 HydrophobicContact CB-CG2 4.06Å; D917-V920 PolarHBondContact O-N 3.47Å; D917-V920 PolarHBondContact OD1-N 3.22Å; D917-V920 VanDerWaalsContact OD2-CG2 3.31Å; D917-V920 WeakPolarHBondContact OD2-CG2 2.93Å; D917-I921 PolarHBondContact O-N 3.17Å | ||
| 918 | S | 66.2 | Low | 64.5 | Low | 36 Ų | 36 | 80.9 Ų | 80.9 | 25% | 0.252 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.4 | -22.7 | -177.2 | -57.2 | 0 | 0 | 0 | 0 | 113.9 | Y916 G922 | Y916-S918 PolarHBondContact O-N 3.23Å; S918-G922 VanDerWaalsContact O-CA 3.3Å; S918-G922 WeakPolarHBondContact O-CA 3.25Å; S918-G922 PolarHBondContact O-N 2.85Å |
| 919 | A | 65.4 | Low | 64.6 | Low | 71 Ų | 71 | 75 Ų | 75 | 59% | 0.587 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -82.6 | -42.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D917 I921 K923 | D917-A919 PolarHBondContact O-N 2.9Å; D917-A919 PolarHBondContact OD1-N 3.33Å; A919-I921 VanDerWaalsContact C-N 3.34Å; A919-K923 VanDerWaalsContact O-CB 3.25Å; A919-K923 WeakPolarHBondContact O-CB 3.3Å; A919-K923 PolarHBondContact O-N 2.92Å; A919-K923 VanDerWaalsContact O-N 3.13Å |
| 920 | V | 62.7 | Low | 64.3 | Low | 82 Ų | 82 | 75.7 Ų | 75.7 | 50% | 0.497 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 177 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | D917 Y924 | D917-V920 HydrophobicContact CB-CB 4.09Å; D917-V920 HydrophobicContact CB-CG2 4.06Å; D917-V920 PolarHBondContact O-N 3.47Å; D917-V920 PolarHBondContact OD1-N 3.22Å; D917-V920 VanDerWaalsContact OD2-CG2 3.31Å; D917-V920 WeakPolarHBondContact OD2-CG2 2.93Å; V920-Y924 WeakPolarHBondContact O-CB 3.35Å; V920-Y924 PolarHBondContact O-N 2.87Å |
| 921 | I | 72.1 | Confident | 64.4 | Low | 9 Ų | 9 | 81.2 Ų | 81.2 | 5% | 0.046 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -83.2 | -42.2 | 178.1 | -59.6 | -64.3 | 0 | 0 | 0 | 112.3 | A896 I900 L910 Y916 D917 A919 K923 Y924 C925 | A896-I921 HydrophobicContact CB-CD1 4.23Å; I900-I921 HydrophobicContact CD1-CD1 4.42Å; I900-I921 HydrophobicContact CD1-CG2 4.26Å; L910-I921 HydrophobicContact CD2-CG2 3.76Å; Y916-I921 HydrophobicContact CD2-CB 3.85Å; Y916-I921 HydrophobicContact CD2-CG1 3.62Å; Y916-I921 HydrophobicContact CD2-CG2 4.34Å; Y916-I921 HydrophobicContact CE2-CB 4.06Å; Y916-I921 HydrophobicContact CE2-CG1 4.34Å; Y916-I921 HydrophobicContact CE2-CG2 4.27Å; Y916-I921 HydrophobicContact CG-CG1 4.38Å; D917-I921 PolarHBondContact O-N 3.17Å; A919-I921 VanDerWaalsContact C-N 3.34Å; I921-K923 VanDerWaalsContact C-N 3.29Å; I921-K923 PolarHBondContact O-N 2.95Å; I921-Y924 CarbonylContact O-C 3.52Å; I921-Y924 WeakPolarHBondContact O-CA 3.4Å; I921-Y924 VanDerWaalsContact O-CB 3.32Å; I921-Y924 WeakPolarHBondContact O-CB 3.4Å; I921-Y924 PolarHBondContact O-N 3.41Å; I921-C925 WeakPolarHBondContact O-CB 3.37Å; I921-C925 PolarHBondContact O-N 3.22Å; I921-C925 PolarHBondContact O-SG 3.12Å; I921-C925 VanDerWaalsContact O-SG 3.36Å |
| 922 | G | 64.4 | Low | 64.5 | Low | 2 Ų | 2 | 75.3 Ų | 75.3 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56.4 | -42.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S918 C925 E926 | S918-G922 VanDerWaalsContact O-CA 3.3Å; S918-G922 WeakPolarHBondContact O-CA 3.25Å; S918-G922 PolarHBondContact O-N 2.85Å; G922-C925 WeakPolarHBondContact O-CB 3.44Å; G922-C925 PolarHBondContact O-N 3.11Å; G922-C925 VanDerWaalsContact O-N 3.12Å; G922-E926 WeakPolarHBondContact O-CG 3.48Å; G922-E926 PolarHBondContact O-N 2.93Å |
| 923 | K | 68.2 | Low | 64.7 | Low | 159 Ų | 159 | 70.8 Ų | 70.8 | 69% | 0.691 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -69.2 | -31.2 | 172.9 | -166.9 | 173.1 | -175 | 173.6 | 0 | 113.7 | A919 I921 C925 | A919-K923 VanDerWaalsContact O-CB 3.25Å; A919-K923 WeakPolarHBondContact O-CB 3.3Å; A919-K923 PolarHBondContact O-N 2.92Å; A919-K923 VanDerWaalsContact O-N 3.13Å; I921-K923 VanDerWaalsContact C-N 3.29Å; I921-K923 PolarHBondContact O-N 2.95Å; K923-C925 VanDerWaalsContact C-N 3.28Å |
| 924 | Y | 69.2 | Low | 64.7 | Low | 78 Ų | 78 | 70.8 Ų | 70.8 | 31% | 0.306 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.3 | -29.3 | 170.4 | -166.8 | -108.3 | 0 | 0 | 0 | 111.4 | I900 D901 V920 I921 R928 | I900-Y924 HydrophobicContact CB-CE1 4.13Å; I900-Y924 HydrophobicContact CD1-CD1 3.95Å; I900-Y924 HydrophobicContact CD1-CE1 4.15Å; I900-Y924 HydrophobicContact CG2-CD1 4.1Å; I900-Y924 HydrophobicContact CG2-CE1 3.63Å; D901-Y924 PolarHBondContact OD1-OH 2.85Å; V920-Y924 WeakPolarHBondContact O-CB 3.35Å; V920-Y924 PolarHBondContact O-N 2.87Å; I921-Y924 CarbonylContact O-C 3.52Å; I921-Y924 WeakPolarHBondContact O-CA 3.4Å; I921-Y924 VanDerWaalsContact O-CB 3.32Å; I921-Y924 WeakPolarHBondContact O-CB 3.4Å; I921-Y924 PolarHBondContact O-N 3.41Å; Y924-R928 PolarHBondContact OH-NH2 3.21Å |
| 925 | C | 65.2 | Low | 64.7 | Low | 7 Ų | 7 | 65.5 Ų | 65.5 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -86.5 | -29.3 | -178.8 | -71.8 | 0 | 0 | 0 | 0 | 115.3 | I921 G922 K923 K927 R928 D929 | I921-C925 WeakPolarHBondContact O-CB 3.37Å; I921-C925 PolarHBondContact O-N 3.22Å; I921-C925 PolarHBondContact O-SG 3.12Å; I921-C925 VanDerWaalsContact O-SG 3.36Å; G922-C925 WeakPolarHBondContact O-CB 3.44Å; G922-C925 PolarHBondContact O-N 3.11Å; G922-C925 VanDerWaalsContact O-N 3.12Å; K923-C925 VanDerWaalsContact C-N 3.28Å; C925-K927 PolarHBondContact O-N 3.32Å; C925-R928 PolarHBondContact O-N 3.03Å; C925-D929 PolarHBondContact O-N 3.34Å |
| 926 | E | 64.5 | Low | 64.7 | Low | 104 Ų | 104 | 63.6 Ų | 63.6 | 49% | 0.486 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -30.1 | 179.2 | -79.4 | 178.1 | 162.4 | 0 | 0 | 113.8 | G922 Y937 | G922-E926 WeakPolarHBondContact O-CG 3.48Å; G922-E926 PolarHBondContact O-N 2.93Å; E926-Y937 PolarHBondContact OE1-OH 3.26Å |
| 927 | K | 60 | Low | 64.7 | Low | 203 Ų | 203 | 65.4 Ų | 65.4 | 88% | 0.883 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -12.4 | 176.2 | -68.3 | -172.9 | 178.3 | -178.5 | 0 | 114.5 | C925 | C925-K927 PolarHBondContact O-N 3.32Š|
| 928 | R | 60.3 | Low | 64.6 | Low | 132 Ų | 132 | 68.3 Ų | 68.3 | 50% | 0.498 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -40.4 | -172.9 | -67.2 | -171.5 | 179.1 | -151.3 | 6.9 | 112.9 | I900 D901 Y924 C925 | I900-R928 PolarHBondContact O-NH1 3.49Å; D901-R928 IonicContact OD1-CZ 2.83Å; D901-R928 IonicContact OD1-NH1 3.61Å; D901-R928 PolarHBondContact OD1-NH1 3.44Å; D901-R928 IonicContact OD1-NH2 3.69Å; D901-R928 PolarHBondContact OD1-NH2 3.3Å; Y924-R928 PolarHBondContact OH-NH2 3.21Å; C925-R928 PolarHBondContact O-N 3.03Å |
| 929 | D | 59.8 | Low | 64.7 | Low | 57 Ų | 57 | 72.8 Ų | 72.8 | 31% | 0.305 | 35% | 0.352 | S | S | . | . | trans | -161.1 | 115.5 | 176 | -167.4 | -27.4 | 0 | 0 | 0 | 113.1 | C925 H931 L932 A933 | C925-D929 PolarHBondContact O-N 3.34Å; D929-H931 PolarHBondContact O-N 3.31Å; D929-H931 PolarHBondContact OD1-N 3.49Å; D929-L932 HydrophobicContact CB-CB 4.23Å; D929-L932 HydrophobicContact CB-CD1 3.84Å; D929-L932 HydrophobicContact CB-CG 3.87Å; D929-L932 PolarHBondContact O-N 2.93Å; D929-A933 PolarHBondContact O-N 3.31Å | ||
| 930 | P | 61.2 | Low | 64.6 | Low | 64 Ų | 64 | 71.7 Ų | 71.7 | 42% | 0.416 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.9 | -24.7 | 178.9 | -21.1 | 33.4 | 0 | 0 | 0 | 115.5 | A933 C934 | P930-A933 WeakPolarHBondContact O-CB 3.37Å; P930-A933 PolarHBondContact O-N 2.94Å; P930-C934 PolarHBondContact O-N 2.85Å |
| 931 | H | 62.4 | Low | 64.6 | Low | 128 Ų | 128 | 75.8 Ų | 75.8 | 59% | 0.593 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -72 | -36.8 | 176.1 | -87.3 | -78.2 | 0 | 0 | 0 | 111.2 | D929 A933 C934 I935 | D929-H931 PolarHBondContact O-N 3.31Å; D929-H931 PolarHBondContact OD1-N 3.49Å; H931-A933 PolarHBondContact O-N 2.74Å; H931-C934 WeakPolarHBondContact O-CB 3.22Å; H931-C934 PolarHBondContact O-N 3.03Å; H931-I935 WeakPolarHBondContact O-CG1 3.33Å; H931-I935 PolarHBondContact O-N 3.44Å |
| 932 | L | 63.5 | Low | 64 | Low | 17 Ų | 17 | 78.1 Ų | 78.1 | 9% | 0.089 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.3 | -31.5 | 170.9 | -62.8 | -177.9 | 0 | 0 | 0 | 111.5 | E907 L910 D929 A936 | E907-L932 HydrophobicContact CB-CD2 4.37Å; E907-L932 HydrophobicContact CG-CD2 3.36Å; L910-L932 HydrophobicContact CD1-CB 4.33Å; L910-L932 HydrophobicContact CD1-CD2 4.28Å; D929-L932 HydrophobicContact CB-CB 4.23Å; D929-L932 HydrophobicContact CB-CD1 3.84Å; D929-L932 HydrophobicContact CB-CG 3.87Å; D929-L932 PolarHBondContact O-N 2.93Å; L932-A936 WeakPolarHBondContact O-CB 3.42Å; L932-A936 PolarHBondContact O-N 3.25Å |
| 933 | A | 64.7 | Low | 64.1 | Low | 4 Ų | 4 | 81.9 Ų | 81.9 | 3% | 0.033 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.9 | -45.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D929 P930 H931 I935 A936 Y937 | D929-A933 PolarHBondContact O-N 3.31Å; P930-A933 WeakPolarHBondContact O-CB 3.37Å; P930-A933 PolarHBondContact O-N 2.94Å; H931-A933 PolarHBondContact O-N 2.74Å; A933-I935 VanDerWaalsContact C-N 3.25Å; A933-I935 PolarHBondContact O-N 2.72Å; A933-A936 PolarHBondContact O-N 3.04Å; A933-Y937 HydrophobicContact CB-CD2 4.24Å; A933-Y937 HydrophobicContact CB-CE2 3.98Å; A933-Y937 WeakPolarHBondContact O-CB 3.27Å; A933-Y937 WeakPolarHBondContact O-CD2 3.42Å; A933-Y937 VanDerWaalsContact O-CG 3.24Å; A933-Y937 PolarHBondContact O-N 2.84Å |
| 934 | C | 61.4 | Low | 64.1 | Low | 25 Ų | 25 | 81.6 Ų | 81.6 | 17% | 0.169 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -55.5 | -39.6 | 173.7 | -72.6 | 0 | 0 | 0 | 0 | 112.1 | P930 H931 Y937 E938 | P930-C934 PolarHBondContact O-N 2.85Å; H931-C934 WeakPolarHBondContact O-CB 3.22Å; H931-C934 PolarHBondContact O-N 3.03Å; C934-Y937 PolarHBondContact O-N 3.23Å; C934-E938 VanDerWaalsContact O-CB 3.25Å; C934-E938 WeakPolarHBondContact O-CB 3.24Å; C934-E938 PolarHBondContact O-N 2.88Å |
| 935 | I | 65 | Low | 63.6 | Low | 54 Ų | 54 | 79.3 Ų | 79.3 | 28% | 0.277 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.8 | -44.9 | 177.7 | -64.2 | 166.5 | 0 | 0 | 0 | 111.3 | H931 A933 Y937 R939 | H931-I935 WeakPolarHBondContact O-CG1 3.33Å; H931-I935 PolarHBondContact O-N 3.44Å; A933-I935 VanDerWaalsContact C-N 3.25Å; A933-I935 PolarHBondContact O-N 2.72Å; I935-Y937 PolarHBondContact O-N 2.8Å; I935-R939 PolarHBondContact O-N 3.15Å; I935-R939 VanDerWaalsContact O-N 3.16Å |
| 936 | A | 64.6 | Low | 63.6 | Low | 12 Ų | 12 | 81.5 Ų | 81.5 | 10% | 0.099 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.3 | -32.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L932 A933 G940 | L932-A936 WeakPolarHBondContact O-CB 3.42Å; L932-A936 PolarHBondContact O-N 3.25Å; A933-A936 PolarHBondContact O-N 3.04Å; A936-G940 PolarHBondContact O-N 2.9Å |
| 937 | Y | 72.5 | Confident | 63.7 | Low | 49 Ų | 49 | 79.8 Ų | 79.8 | 19% | 0.192 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -85.1 | -36.3 | 179.5 | -67.7 | -36.6 | 0 | 0 | 0 | 115 | E926 A933 C934 I935 R939 G940 Q941 C942 A945 | E926-Y937 PolarHBondContact OE1-OH 3.26Å; A933-Y937 HydrophobicContact CB-CD2 4.24Å; A933-Y937 HydrophobicContact CB-CE2 3.98Å; A933-Y937 WeakPolarHBondContact O-CB 3.27Å; A933-Y937 WeakPolarHBondContact O-CD2 3.42Å; A933-Y937 VanDerWaalsContact O-CG 3.24Å; A933-Y937 PolarHBondContact O-N 2.84Å; C934-Y937 PolarHBondContact O-N 3.23Å; I935-Y937 PolarHBondContact O-N 2.8Å; Y937-R939 VanDerWaalsContact C-N 3.27Å; Y937-R939 PolarHBondContact O-N 3.06Å; Y937-G940 CarbonylContact O-C 3.58Å; Y937-G940 WeakPolarHBondContact O-CA 3.31Å; Y937-G940 PolarHBondContact O-N 3.43Å; Y937-G940 VanDerWaalsContact O-N 3.08Å; Y937-Q941 PolarHBondContact O-N 3.07Å; Y937-C942 HydrophobicContact CD1-CB 4.37Å; Y937-C942 PolarHBondContact O-N 3.01Å; Y937-C942 VanDerWaalsContact O-N 3.14Å; Y937-A945 HydrophobicContact CD2-CB 4.44Å |
| 938 | E | 62.8 | Low | 64.2 | Low | 142 Ų | 142 | 75.5 Ų | 75.5 | 66% | 0.664 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62 | -38.6 | 171.7 | -170.4 | 176.4 | 179.3 | 0 | 0 | 110 | C934 G940 Q941 | C934-E938 VanDerWaalsContact O-CB 3.25Å; C934-E938 WeakPolarHBondContact O-CB 3.24Å; C934-E938 PolarHBondContact O-N 2.88Å; E938-G940 VanDerWaalsContact C-N 3.32Å; E938-G940 PolarHBondContact O-N 3.3Å; E938-Q941 PolarHBondContact O-N 2.64Å |
| 939 | R | 68.1 | Low | 64.5 | Low | 129 Ų | 129 | 70.5 Ų | 70.5 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 170.3 | -176.9 | -163.9 | 152.3 | 174.1 | -6.8 | 112.1 | I935 Y937 | I935-R939 PolarHBondContact O-N 3.15Å; I935-R939 VanDerWaalsContact O-N 3.16Å; Y937-R939 VanDerWaalsContact C-N 3.27Å; Y937-R939 PolarHBondContact O-N 3.06Å |
| 940 | G | 64.2 | Low | 64.8 | Low | 48 Ų | 48 | 69 Ų | 69 | 50% | 0.495 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -82.5 | -4.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | A936 Y937 E938 C942 | A936-G940 PolarHBondContact O-N 2.9Å; Y937-G940 CarbonylContact O-C 3.58Å; Y937-G940 WeakPolarHBondContact O-CA 3.31Å; Y937-G940 PolarHBondContact O-N 3.43Å; Y937-G940 VanDerWaalsContact O-N 3.08Å; E938-G940 VanDerWaalsContact C-N 3.32Å; E938-G940 PolarHBondContact O-N 3.3Å; G940-C942 VanDerWaalsContact C-N 3.34Å; G940-C942 PolarHBondContact O-N 3.01Å |
| 941 | Q | 61.9 | Low | 65.1 | Low | 169 Ų | 169 | 68.9 Ų | 68.9 | 79% | 0.79 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 43.3 | -171.7 | -66.8 | -174.3 | -21 | 0 | 0 | 114.6 | Y937 E938 D943 | Y937-Q941 PolarHBondContact O-N 3.07Å; E938-Q941 PolarHBondContact O-N 2.64Å; Q941-D943 PolarHBondContact O-N 3.18Å; Q941-D943 VanDerWaalsContact O-N 3.15Å |
| 942 | C | 59.6 | Low | 65.2 | Low | 57 Ų | 57 | 69 Ų | 69 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | trans | -87 | 67 | 178.9 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | Y937 G940 M944 A945 L946 | Y937-C942 HydrophobicContact CD1-CB 4.37Å; Y937-C942 PolarHBondContact O-N 3.01Å; Y937-C942 VanDerWaalsContact O-N 3.14Å; G940-C942 VanDerWaalsContact C-N 3.34Å; G940-C942 PolarHBondContact O-N 3.01Å; C942-M944 VanDerWaalsContact C-N 3.31Å; C942-M944 PolarHBondContact O-N 2.66Å; C942-A945 HydrophobicContact CB-CB 3.92Å; C942-A945 WeakPolarHBondContact O-CA 3.35Å; C942-A945 WeakPolarHBondContact O-CB 3.29Å; C942-A945 PolarHBondContact O-N 2.86Å; C942-L946 PolarHBondContact O-N 3.16Å; C942-L946 VanDerWaalsContact O-N 3.07Å | ||
| 943 | D | 67.5 | Low | 65.3 | Low | 82 Ų | 82 | 72.3 Ų | 72.3 | 44% | 0.439 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -49.3 | -41 | -174.7 | -83.6 | -16.1 | 0 | 0 | 0 | 114.9 | Q941 L946 I947 | Q941-D943 PolarHBondContact O-N 3.18Å; Q941-D943 VanDerWaalsContact O-N 3.15Å; D943-L946 PolarHBondContact O-N 3.42Å; D943-I947 PolarHBondContact O-N 3.45Å |
| 944 | M | 67.4 | Low | 65.5 | Low | 152 Ų | 152 | 75.9 Ų | 75.9 | 75% | 0.749 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -71.3 | -39 | 179.6 | -66.9 | -65.1 | 168.5 | 0 | 0 | 111.6 | C942 L946 Q948 | C942-M944 VanDerWaalsContact C-N 3.31Å; C942-M944 PolarHBondContact O-N 2.66Å; M944-L946 PolarHBondContact O-N 3.28Å; M944-Q948 WeakPolarHBondContact O-CB 3.24Å; M944-Q948 PolarHBondContact O-N 3.25Å |
| 945 | A | 59.6 | Low | 65.8 | Low | 31 Ų | 31 | 77.7 Ų | 77.7 | 26% | 0.256 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65 | -30.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y937 C942 V949 | Y937-A945 HydrophobicContact CD2-CB 4.44Å; C942-A945 HydrophobicContact CB-CB 3.92Å; C942-A945 WeakPolarHBondContact O-CA 3.35Å; C942-A945 WeakPolarHBondContact O-CB 3.29Å; C942-A945 PolarHBondContact O-N 2.86Å; A945-V949 VanDerWaalsContact O-CB 3.26Å; A945-V949 WeakPolarHBondContact O-CB 3.41Å; A945-V949 WeakPolarHBondContact O-CG2 3.06Å; A945-V949 PolarHBondContact O-N 3.36Å |
| 946 | L | 65.3 | Low | 65.8 | Low | 52 Ų | 52 | 78.8 Ų | 78.8 | 27% | 0.272 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -76.5 | -47.7 | 178.7 | -167.2 | 150.6 | 0 | 0 | 0 | 113.4 | C942 D943 M944 Q948 V949 C950 | C942-L946 PolarHBondContact O-N 3.16Å; C942-L946 VanDerWaalsContact O-N 3.07Å; D943-L946 PolarHBondContact O-N 3.42Å; M944-L946 PolarHBondContact O-N 3.28Å; L946-Q948 PolarHBondContact O-N 2.95Å; L946-V949 PolarHBondContact O-N 3.43Å; L946-C950 WeakPolarHBondContact O-CB 3.37Å; L946-C950 PolarHBondContact O-N 2.67Å; L946-C950 PolarHBondContact O-SG 2.83Å |
| 947 | I | 66.5 | Low | 65.9 | Low | 68 Ų | 68 | 84.8 Ų | 84.8 | 35% | 0.349 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.4 | -39.3 | 174 | -66.9 | 171.7 | 0 | 0 | 0 | 109.7 | D943 C950 N951 | D943-I947 PolarHBondContact O-N 3.45Å; I947-C950 PolarHBondContact O-N 3.47Å; I947-N951 VanDerWaalsContact CG2-ND2 3.33Å; I947-N951 WeakPolarHBondContact CG2-ND2 3.3Å; I947-N951 WeakPolarHBondContact O-CB 3.04Å; I947-N951 PolarHBondContact O-N 3.38Å; I947-N951 PolarHBondContact O-ND2 3.44Å |
| 948 | Q | 69.2 | Low | 65.5 | Low | 114 Ų | 114 | 86 Ų | 86 | 53% | 0.533 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.2 | -48.8 | 176.4 | -170.2 | 171.5 | -1.7 | 0 | 0 | 111.4 | M944 L946 C950 N951 E952 | M944-Q948 WeakPolarHBondContact O-CB 3.24Å; M944-Q948 PolarHBondContact O-N 3.25Å; L946-Q948 PolarHBondContact O-N 2.95Å; Q948-C950 PolarHBondContact O-N 3.11Å; Q948-N951 PolarHBondContact O-N 2.89Å; Q948-E952 HydrophobicContact CG-CG 4.32Å; Q948-E952 VanDerWaalsContact CG-OE1 3.24Å; Q948-E952 WeakPolarHBondContact CG-OE1 3.4Å; Q948-E952 PolarHBondContact NE2-OE1 3.08Å; Q948-E952 WeakPolarHBondContact O-CB 3.28Å; Q948-E952 VanDerWaalsContact O-CG 3.22Å; Q948-E952 WeakPolarHBondContact O-CG 3.16Å; Q948-E952 PolarHBondContact O-N 2.95Å |
| 949 | V | 67 | Low | 65.5 | Low | 27 Ų | 27 | 81 Ų | 81 | 16% | 0.164 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.3 | -36.2 | 176 | 169.8 | 0 | 0 | 0 | 0 | 112.2 | A945 L946 N953 | A945-V949 VanDerWaalsContact O-CB 3.26Å; A945-V949 WeakPolarHBondContact O-CB 3.41Å; A945-V949 WeakPolarHBondContact O-CG2 3.06Å; A945-V949 PolarHBondContact O-N 3.36Å; L946-V949 PolarHBondContact O-N 3.43Å; V949-N953 VanDerWaalsContact O-CB 3.27Å; V949-N953 WeakPolarHBondContact O-CB 3.45Å; V949-N953 PolarHBondContact O-N 3Å; V949-N953 VanDerWaalsContact O-N 3.07Å; V949-N953 PolarHBondContact O-ND2 3.3Å |
| 950 | C | 67 | Low | 65.4 | Low | 24 Ų | 24 | 76.3 Ų | 76.3 | 16% | 0.162 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -74.7 | -37.3 | 177.8 | -74.7 | 0 | 0 | 0 | 0 | 113.6 | L946 I947 Q948 N953 S954 L955 | L946-C950 WeakPolarHBondContact O-CB 3.37Å; L946-C950 PolarHBondContact O-N 2.67Å; L946-C950 PolarHBondContact O-SG 2.83Å; I947-C950 PolarHBondContact O-N 3.47Å; Q948-C950 PolarHBondContact O-N 3.11Å; C950-N953 CarbonylContact O-C 3.49Å; C950-S954 PolarHBondContact O-N 2.72Å; C950-L955 HydrophobicContact CB-CB 4.38Å; C950-L955 PolarHBondContact O-N 3.29Å |
| 951 | N | 67.5 | Low | 65.6 | Low | 62 Ų | 62 | 80.5 Ų | 80.5 | 33% | 0.332 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -73 | -39.9 | 175.7 | -72.6 | -17.9 | 0 | 0 | 0 | 111 | I947 Q948 N953 S954 | I947-N951 VanDerWaalsContact CG2-ND2 3.33Å; I947-N951 WeakPolarHBondContact CG2-ND2 3.3Å; I947-N951 WeakPolarHBondContact O-CB 3.04Å; I947-N951 PolarHBondContact O-N 3.38Å; I947-N951 PolarHBondContact O-ND2 3.44Å; Q948-N951 PolarHBondContact O-N 2.89Å; N951-N953 VanDerWaalsContact C-N 3.28Å; N951-N953 PolarHBondContact O-N 2.88Å; N951-S954 PolarHBondContact O-N 2.82Å |
| 952 | E | 64.8 | Low | 65.8 | Low | 130 Ų | 130 | 76.8 Ų | 76.8 | 61% | 0.607 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.1 | -30.8 | 174.2 | -74.1 | 177.6 | -173.6 | 0 | 0 | 111.8 | Q948 | Q948-E952 HydrophobicContact CG-CG 4.32Å; Q948-E952 VanDerWaalsContact CG-OE1 3.24Å; Q948-E952 WeakPolarHBondContact CG-OE1 3.4Å; Q948-E952 PolarHBondContact NE2-OE1 3.08Å; Q948-E952 WeakPolarHBondContact O-CB 3.28Å; Q948-E952 VanDerWaalsContact O-CG 3.22Å; Q948-E952 WeakPolarHBondContact O-CG 3.16Å; Q948-E952 PolarHBondContact O-N 2.95Å |
| 953 | N | 65.8 | Low | 66.4 | Low | 87 Ų | 87 | 74.2 Ų | 74.2 | 47% | 0.465 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 12 | 179.6 | -62.4 | -68.8 | 0 | 0 | 0 | 115 | V949 C950 N951 L955 | V949-N953 VanDerWaalsContact O-CB 3.27Å; V949-N953 WeakPolarHBondContact O-CB 3.45Å; V949-N953 PolarHBondContact O-N 3Å; V949-N953 VanDerWaalsContact O-N 3.07Å; V949-N953 PolarHBondContact O-ND2 3.3Å; C950-N953 CarbonylContact O-C 3.49Å; N951-N953 VanDerWaalsContact C-N 3.28Å; N951-N953 PolarHBondContact O-N 2.88Å; N953-L955 PolarHBondContact O-N 2.89Å |
| 954 | S | 67.2 | Low | 66.5 | Low | 80 Ų | 80 | 73.1 Ų | 73.1 | 56% | 0.559 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 41.1 | 172.4 | -60 | 0 | 0 | 0 | 0 | 117.6 | C950 N951 F956 | C950-S954 PolarHBondContact O-N 2.72Å; N951-S954 PolarHBondContact O-N 2.82Å; S954-F956 PolarHBondContact O-N 3.21Å |
| 955 | L | 67.5 | Low | 66.4 | Low | 63 Ų | 63 | 75.7 Ų | 75.7 | 33% | 0.33 | 38% | 0.377 | S | S | . | . | trans | -89.1 | 51.2 | -174.8 | -61.3 | 171.1 | 0 | 0 | 0 | 114.5 | C950 N953 K957 S958 L959 | C950-L955 HydrophobicContact CB-CB 4.38Å; C950-L955 PolarHBondContact O-N 3.29Å; N953-L955 PolarHBondContact O-N 2.89Å; L955-K957 PolarHBondContact O-N 3.04Å; L955-S958 WeakPolarHBondContact O-CB 3.49Å; L955-S958 PolarHBondContact O-N 2.87Å; L955-L959 PolarHBondContact O-N 3.47Å; L955-L959 VanDerWaalsContact O-N 3.11Å | ||
| 956 | F | 65.4 | Low | 66.8 | Low | 77 Ų | 77 | 79.4 Ų | 79.4 | 34% | 0.338 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.3 | -23.6 | -172.2 | -59.5 | -66.9 | 0 | 0 | 0 | 116.5 | S954 L959 S960 Y982 | S954-F956 PolarHBondContact O-N 3.21Å; F956-L959 HydrophobicContact CD1-CD2 4.24Å; F956-L959 CarbonylContact O-C 3.59Å; F956-L959 WeakPolarHBondContact O-CB 3.34Å; F956-L959 PolarHBondContact O-N 2.74Å; F956-S960 PolarHBondContact O-N 2.92Å; F956-Y982 AromaticContact CE1-CD1 3.8Å; F956-Y982 HydrophobicContact CE1-CD1 3.8Å; F956-Y982 HydrophobicContact CE1-CE1 4.39Å; F956-Y982 AromaticContact CE1-CG 3.98Å; F956-Y982 HydrophobicContact CE1-CG 3.98Å; F956-Y982 AromaticContact CZ-CD1 3.58Å; F956-Y982 HydrophobicContact CZ-CD1 3.58Å; F956-Y982 AromaticContact CZ-CE1 3.91Å; F956-Y982 HydrophobicContact CZ-CE1 3.91Å; F956-Y982 HydrophobicContact CZ-CG 4.24Å |
| 957 | K | 67.2 | Low | 66.9 | Low | 137 Ų | 137 | 86.5 Ų | 86.5 | 60% | 0.596 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -76.1 | -36.4 | 176.4 | -172.6 | 176.7 | -175.9 | 173.2 | 0 | 111.7 | L955 S960 R961 | L955-K957 PolarHBondContact O-N 3.04Å; K957-S960 PolarHBondContact O-OG 2.73Å; K957-R961 WeakPolarHBondContact O-CB 3.44Å; K957-R961 WeakPolarHBondContact O-CG 3.33Å; K957-R961 PolarHBondContact O-N 2.85Å |
| 958 | S | 64.2 | Low | 66.7 | Low | 74 Ų | 74 | 85.6 Ų | 85.6 | 52% | 0.517 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.6 | -35.5 | 169.1 | -51.2 | 0 | 0 | 0 | 0 | 109.5 | L955 Y962 | L955-S958 WeakPolarHBondContact O-CB 3.49Å; L955-S958 PolarHBondContact O-N 2.87Å; S958-Y962 WeakPolarHBondContact O-CB 3.45Å; S958-Y962 PolarHBondContact O-N 2.7Å |
| 959 | L | 63.9 | Low | 66.6 | Low | 38 Ų | 38 | 84.7 Ų | 84.7 | 20% | 0.199 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.8 | -54.3 | 174 | -164.6 | 67.1 | 0 | 0 | 0 | 113.3 | L955 F956 R961 Y962 M963 | L955-L959 PolarHBondContact O-N 3.47Å; L955-L959 VanDerWaalsContact O-N 3.11Å; F956-L959 HydrophobicContact CD1-CD2 4.24Å; F956-L959 CarbonylContact O-C 3.59Å; F956-L959 WeakPolarHBondContact O-CB 3.34Å; F956-L959 PolarHBondContact O-N 2.74Å; L959-R961 PolarHBondContact O-N 2.73Å; L959-Y962 CarbonylContact O-C 3.54Å; L959-Y962 WeakPolarHBondContact O-CA 3.28Å; L959-Y962 WeakPolarHBondContact O-CB 3.47Å; L959-Y962 PolarHBondContact O-N 2.95Å; L959-M963 HydrophobicContact CG-CG 4.47Å; L959-M963 WeakPolarHBondContact O-CG 3.14Å; L959-M963 PolarHBondContact O-N 3.18Å |
| 960 | S | 65.5 | Low | 66.8 | Low | 31 Ų | 31 | 90.9 Ų | 90.9 | 22% | 0.217 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.1 | -32.9 | -178.3 | 68.5 | 0 | 0 | 0 | 0 | 113 | F956 K957 M963 V964 | F956-S960 PolarHBondContact O-N 2.92Å; K957-S960 PolarHBondContact O-OG 2.73Å; S960-M963 PolarHBondContact O-N 2.86Å; S960-V964 WeakPolarHBondContact O-CG2 3.35Å; S960-V964 PolarHBondContact O-N 3.49Å |
| 961 | R | 66.9 | Low | 66.8 | Low | 136 Ų | 136 | 91 Ų | 91 | 51% | 0.513 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -72.3 | -41.7 | 171.7 | -72 | 174.9 | 176.9 | 170.7 | -5.7 | 112.6 | K957 L959 M963 R965 | K957-R961 WeakPolarHBondContact O-CB 3.44Å; K957-R961 WeakPolarHBondContact O-CG 3.33Å; K957-R961 PolarHBondContact O-N 2.85Å; L959-R961 PolarHBondContact O-N 2.73Å; R961-M963 PolarHBondContact O-N 2.79Å; R961-R965 WeakPolarHBondContact O-CB 3.36Å; R961-R965 VanDerWaalsContact O-CG 3.27Å; R961-R965 WeakPolarHBondContact O-CG 3.06Å; R961-R965 PolarHBondContact O-N 2.79Å; R961-R965 VanDerWaalsContact O-N 3.09Å |
| 962 | Y | 66.5 | Low | 67.2 | Low | 91 Ų | 91 | 90.8 Ų | 90.8 | 36% | 0.357 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59 | -35.4 | 170.3 | -172.2 | -115.5 | 0 | 0 | 0 | 110.6 | S958 L959 R966 | S958-Y962 WeakPolarHBondContact O-CB 3.45Å; S958-Y962 PolarHBondContact O-N 2.7Å; L959-Y962 CarbonylContact O-C 3.54Å; L959-Y962 WeakPolarHBondContact O-CA 3.28Å; L959-Y962 WeakPolarHBondContact O-CB 3.47Å; L959-Y962 PolarHBondContact O-N 2.95Å; Y962-R966 VanDerWaalsContact CZ-CD 3.43Å; Y962-R966 WeakPolarHBondContact O-CA 3.42Å; Y962-R966 WeakPolarHBondContact O-CB 3.33Å; Y962-R966 PolarHBondContact O-N 3.29Å; Y962-R966 PolarHBondContact OH-NE 3.2Å; Y962-R966 PolarHBondContact OH-NH1 2.93Å; Y962-R966 PolarHBondContact OH-NH2 3.02Å |
| 963 | M | 72.3 | Confident | 67.5 | Low | 2 Ų | 2 | 87.1 Ų | 87.1 | 1% | 0.01 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -73.1 | -53.1 | -179.9 | -64.3 | -65 | -68.4 | 0 | 0 | 114.2 | L959 S960 R961 R965 R967 L971 W972 V975 | L959-M963 HydrophobicContact CG-CG 4.47Å; L959-M963 WeakPolarHBondContact O-CG 3.14Å; L959-M963 PolarHBondContact O-N 3.18Å; S960-M963 PolarHBondContact O-N 2.86Å; R961-M963 PolarHBondContact O-N 2.79Å; M963-R965 PolarHBondContact O-N 2.91Å; M963-R967 PolarHBondContact O-N 2.73Å; M963-L971 HydrophobicContact CE-CB 3.56Å; M963-L971 WeakPolarHBondContact CE-O 3.07Å; M963-L971 HydrophobicContact SD-CB 3.74Å; M963-L971 HydrophobicContact SD-CD2 3.78Å; M963-L971 HydrophobicContact SD-CG 4.29Å; M963-W972 HydrophobicContact CB-CZ2 4.36Å; M963-W972 HydrophobicContact CE-CD2 4.3Å; M963-W972 HydrophobicContact CE-CG 4.23Å; M963-V975 HydrophobicContact CE-CB 4.3Å; M963-V975 HydrophobicContact CE-CG2 3.77Å; M963-V975 HydrophobicContact SD-CG2 4.33Å |
| 964 | V | 69.1 | Low | 67.5 | Low | 59 Ų | 59 | 89.2 Ų | 89.2 | 36% | 0.358 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.3 | -28.7 | 176.3 | 177.9 | 0 | 0 | 0 | 0 | 111 | S960 R967 W972 | S960-V964 WeakPolarHBondContact O-CG2 3.35Å; S960-V964 PolarHBondContact O-N 3.49Å; V964-R967 WeakPolarHBondContact O-CG 3.28Å; V964-W972 HydrophobicContact CG2-CH2 4.5Å; V964-W972 HydrophobicContact CG2-CZ2 3.9Å |
| 965 | R | 66.2 | Low | 67.6 | Low | 207 Ų | 207 | 86.3 Ų | 86.3 | 78% | 0.781 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -85 | -42 | 177.3 | -74 | -177.9 | -179.4 | 174.8 | -0.3 | 115.2 | R961 M963 R967 | R961-R965 WeakPolarHBondContact O-CB 3.36Å; R961-R965 VanDerWaalsContact O-CG 3.27Å; R961-R965 WeakPolarHBondContact O-CG 3.06Å; R961-R965 PolarHBondContact O-N 2.79Å; R961-R965 VanDerWaalsContact O-N 3.09Å; M963-R965 PolarHBondContact O-N 2.91Å; R965-R967 PolarHBondContact O-N 2.91Å |
| 966 | R | 68.7 | Low | 67.9 | Low | 108 Ų | 108 | 85.8 Ų | 85.8 | 41% | 0.408 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.3 | -19.7 | 175.1 | -159.8 | 161.5 | -170.6 | -164.6 | 14.2 | 110 | Y962 D968 L971 | Y962-R966 VanDerWaalsContact CZ-CD 3.43Å; Y962-R966 WeakPolarHBondContact O-CA 3.42Å; Y962-R966 WeakPolarHBondContact O-CB 3.33Å; Y962-R966 PolarHBondContact O-N 3.29Å; Y962-R966 PolarHBondContact OH-NE 3.2Å; Y962-R966 PolarHBondContact OH-NH1 2.93Å; Y962-R966 PolarHBondContact OH-NH2 3.02Å; R966-D968 HydrophobicContact CG-CB 4.2Å; R966-D968 PolarHBondContact O-N 2.84Å; R966-L971 HydrophobicContact CG-CD1 4.13Å |
| 967 | R | 67 | Low | 68.1 | Low | 201 Ų | 201 | 86.9 Ų | 86.9 | 76% | 0.758 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 27.9 | 174.8 | -67.9 | 179.1 | 175.3 | -177.4 | -5.1 | 112.3 | M963 V964 R965 P969 | M963-R967 PolarHBondContact O-N 2.73Å; V964-R967 WeakPolarHBondContact O-CG 3.28Å; R965-R967 PolarHBondContact O-N 2.91Å; R967-P969 VanDerWaalsContact O-CD 3.3Å; R967-P969 WeakPolarHBondContact O-CD 3.28Å |
| 968 | D | 62.1 | Low | 68 | Low | 50 Ų | 50 | 88.4 Ų | 88.4 | 27% | 0.267 | 42% | 0.418 | S | S | . | . | trans | -94.9 | 112 | -168.2 | -173 | -13.1 | 0 | 0 | 0 | 109 | R966 E970 L971 W972 | R966-D968 HydrophobicContact CG-CB 4.2Å; R966-D968 PolarHBondContact O-N 2.84Å; D968-E970 PolarHBondContact O-N 3.11Å; D968-E970 WeakPolarHBondContact OD1-CB 3.41Å; D968-E970 PolarHBondContact OD1-N 3.39Å; D968-L971 HydrophobicContact CB-CB 4.05Å; D968-L971 HydrophobicContact CB-CD1 3.72Å; D968-L971 HydrophobicContact CB-CG 4.41Å; D968-L971 WeakPolarHBondContact O-CB 3.23Å; D968-L971 PolarHBondContact O-N 3.41Å; D968-W972 PolarHBondContact O-N 2.99Å | ||
| 969 | P | 67.8 | Low | 68.1 | Low | 95 Ų | 95 | 89.3 Ų | 89.3 | 62% | 0.617 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.3 | -28.1 | 179.2 | -17.5 | 31.5 | 0 | 0 | 0 | 112.7 | R967 W972 A973 | R967-P969 VanDerWaalsContact O-CD 3.3Å; R967-P969 WeakPolarHBondContact O-CD 3.28Å; P969-W972 PolarHBondContact O-N 3.25Å; P969-A973 WeakPolarHBondContact O-CB 3.5Å; P969-A973 PolarHBondContact O-N 3.46Å |
| 970 | E | 70.6 | Confident | 68.2 | Low | 156 Ų | 156 | 88.9 Ų | 88.9 | 73% | 0.729 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -69.4 | -43.2 | 179.8 | -67.1 | -169.8 | 173.3 | 0 | 0 | 110.5 | D968 A973 Q974 | D968-E970 PolarHBondContact O-N 3.11Å; D968-E970 WeakPolarHBondContact OD1-CB 3.41Å; D968-E970 PolarHBondContact OD1-N 3.39Å; E970-A973 PolarHBondContact O-N 2.97Å; E970-Q974 WeakPolarHBondContact O-CB 3.19Å; E970-Q974 PolarHBondContact O-N 3.28Å |
| 971 | L | 66.5 | Low | 68.3 | Low | 26 Ų | 26 | 92.5 Ų | 92.5 | 14% | 0.136 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -58.1 | -48.6 | 167.6 | -88.2 | 151.7 | 0 | 0 | 0 | 110.3 | M963 R966 D968 A973 Q974 V975 | M963-L971 HydrophobicContact CE-CB 3.56Å; M963-L971 WeakPolarHBondContact CE-O 3.07Å; M963-L971 HydrophobicContact SD-CB 3.74Å; M963-L971 HydrophobicContact SD-CD2 3.78Å; M963-L971 HydrophobicContact SD-CG 4.29Å; R966-L971 HydrophobicContact CG-CD1 4.13Å; D968-L971 HydrophobicContact CB-CB 4.05Å; D968-L971 HydrophobicContact CB-CD1 3.72Å; D968-L971 HydrophobicContact CB-CG 4.41Å; D968-L971 WeakPolarHBondContact O-CB 3.23Å; D968-L971 PolarHBondContact O-N 3.41Å; L971-A973 PolarHBondContact O-N 3.29Å; L971-Q974 PolarHBondContact O-N 2.86Å; L971-V975 WeakPolarHBondContact O-CG2 3.48Å; L971-V975 PolarHBondContact O-N 3.22Å |
| 972 | W | 75.8 | Confident | 68.4 | Low | 59 Ų | 59 | 91.2 Ų | 91.2 | 22% | 0.223 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61 | -40.2 | 177.8 | -85 | 106.5 | 0 | 0 | 0 | 113.4 | M963 V964 D968 P969 V975 L976 L986 V990 | M963-W972 HydrophobicContact CB-CZ2 4.36Å; M963-W972 HydrophobicContact CE-CD2 4.3Å; M963-W972 HydrophobicContact CE-CG 4.23Å; V964-W972 HydrophobicContact CG2-CH2 4.5Å; V964-W972 HydrophobicContact CG2-CZ2 3.9Å; D968-W972 PolarHBondContact O-N 2.99Å; P969-W972 PolarHBondContact O-N 3.25Å; W972-V975 PolarHBondContact O-N 2.84Å; W972-L976 HydrophobicContact CE3-CD1 3.75Å; W972-L976 HydrophobicContact CE3-CD2 4.45Å; W972-L976 HydrophobicContact CE3-CG 3.93Å; W972-L976 HydrophobicContact CZ3-CD1 4.41Å; W972-L976 VanDerWaalsContact O-CB 3.23Å; W972-L976 WeakPolarHBondContact O-CB 3.43Å; W972-L976 WeakPolarHBondContact O-CG 3.25Å; W972-L976 PolarHBondContact O-N 2.94Å; W972-L986 HydrophobicContact CE3-CD2 3.86Å; W972-L986 HydrophobicContact CH2-CD2 4.4Å; W972-L986 HydrophobicContact CZ3-CD2 3.47Å; W972-L986 VanDerWaalsContact CZ3-CD2 3.47Å; W972-L986 HydrophobicContact CZ3-CG 4.15Å; W972-V990 HydrophobicContact CH2-CG2 3.59Å; W972-V990 HydrophobicContact CZ3-CG2 3.94Å |
| 973 | A | 70.9 | Confident | 68.6 | Low | 53 Ų | 53 | 90.3 Ų | 90.3 | 44% | 0.438 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P969 E970 L971 V975 L976 Q977 | P969-A973 WeakPolarHBondContact O-CB 3.5Å; P969-A973 PolarHBondContact O-N 3.46Å; E970-A973 PolarHBondContact O-N 2.97Å; L971-A973 PolarHBondContact O-N 3.29Å; A973-V975 PolarHBondContact O-N 3.22Å; A973-L976 PolarHBondContact O-N 2.86Å; A973-Q977 WeakPolarHBondContact O-CG 3.46Å; A973-Q977 PolarHBondContact O-N 3.45Å |
| 974 | Q | 66.8 | Low | 68.6 | Low | 130 Ų | 130 | 98.2 Ų | 98.2 | 61% | 0.607 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.9 | -31.4 | 178.4 | -158.1 | 173.4 | 29.8 | 0 | 0 | 111.7 | E970 L971 | E970-Q974 WeakPolarHBondContact O-CB 3.19Å; E970-Q974 PolarHBondContact O-N 3.28Å; L971-Q974 PolarHBondContact O-N 2.86Å |
| 975 | V | 69 | Low | 68.7 | Low | 20 Ų | 20 | 98.6 Ų | 98.6 | 12% | 0.121 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -90 | -28.9 | 179.3 | -163.6 | 0 | 0 | 0 | 0 | 113.3 | M963 L971 W972 A973 N980 L986 | M963-V975 HydrophobicContact CE-CB 4.3Å; M963-V975 HydrophobicContact CE-CG2 3.77Å; M963-V975 HydrophobicContact SD-CG2 4.33Å; L971-V975 WeakPolarHBondContact O-CG2 3.48Å; L971-V975 PolarHBondContact O-N 3.22Å; W972-V975 PolarHBondContact O-N 2.84Å; A973-V975 PolarHBondContact O-N 3.22Å; V975-N980 VanDerWaalsContact CA-ND2 3.34Å; V975-N980 WeakPolarHBondContact CA-ND2 3.44Å; V975-N980 VanDerWaalsContact CG1-ND2 3.28Å; V975-N980 WeakPolarHBondContact CG1-ND2 3.33Å; V975-N980 PolarHBondContact O-ND2 2.83Å; V975-L986 HydrophobicContact CB-CD2 3.92Å; V975-L986 HydrophobicContact CG1-CB 4.4Å; V975-L986 HydrophobicContact CG1-CD1 4.13Å; V975-L986 HydrophobicContact CG1-CD2 3.44Å; V975-L986 VanDerWaalsContact CG1-CD2 3.44Å; V975-L986 HydrophobicContact CG1-CG 4.18Å |
| 976 | L | 72.7 | Confident | 68.8 | Low | 52 Ų | 52 | 89.5 Ų | 89.5 | 27% | 0.272 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -89.6 | -1.4 | 176.7 | -68.4 | 176.3 | 0 | 0 | 0 | 114 | W972 A973 R983 L986 I987 | W972-L976 HydrophobicContact CE3-CD1 3.75Å; W972-L976 HydrophobicContact CE3-CD2 4.45Å; W972-L976 HydrophobicContact CE3-CG 3.93Å; W972-L976 HydrophobicContact CZ3-CD1 4.41Å; W972-L976 VanDerWaalsContact O-CB 3.23Å; W972-L976 WeakPolarHBondContact O-CB 3.43Å; W972-L976 WeakPolarHBondContact O-CG 3.25Å; W972-L976 PolarHBondContact O-N 2.94Å; A973-L976 PolarHBondContact O-N 2.86Å; L976-R983 VanDerWaalsContact O-CD 3.23Å; L976-R983 WeakPolarHBondContact O-CD 3.4Å; L976-R983 PolarHBondContact O-NE 2.7Å; L976-L986 HydrophobicContact CD2-CD2 4.03Å; L976-L986 HydrophobicContact CG-CD2 4.42Å; L976-I987 HydrophobicContact CD2-CD1 3.96Å; L976-I987 HydrophobicContact CD2-CG1 3.51Å |
| 977 | Q | 71.3 | Confident | 68.9 | Low | 99 Ų | 99 | 85.7 Ų | 85.7 | 46% | 0.463 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -55.6 | 139.2 | 171.9 | -96.3 | 171.7 | 31.5 | 0 | 0 | 111.2 | A973 S979 N980 | A973-Q977 WeakPolarHBondContact O-CG 3.46Å; A973-Q977 PolarHBondContact O-N 3.45Å; Q977-S979 PolarHBondContact O-N 2.89Å; Q977-S979 PolarHBondContact OE1-OG 3.43Å; Q977-N980 WeakPolarHBondContact O-CB 3.33Å; Q977-N980 PolarHBondContact O-N 3.33Å |
| 978 | E | 63.3 | Low | 69.1 | Low | 169 Ų | 169 | 78.9 Ų | 78.9 | 79% | 0.79 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -27.3 | 175.6 | -88.2 | 179.1 | 170.8 | 0 | 0 | 113.6 | N980 R983 | E978-N980 VanDerWaalsContact C-N 3.32Å; E978-R983 IonicContact OE1-NH1 3.48Å |
| 979 | S | 67.5 | Low | 69.5 | Low | 94 Ų | 94 | 81.1 Ų | 81.1 | 66% | 0.657 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -18.3 | 177 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | Q977 P981 | Q977-S979 PolarHBondContact O-N 2.89Å; Q977-S979 PolarHBondContact OE1-OG 3.43Å; S979-P981 VanDerWaalsContact O-CD 3.27Å; S979-P981 WeakPolarHBondContact O-CD 3.31Å |
| 980 | N | 64.9 | Low | 69.4 | Low | 29 Ų | 29 | 77.4 Ų | 77.4 | 16% | 0.155 | 39% | 0.388 | C | S | . | . | trans | -75.9 | 115.8 | -176.9 | -178.8 | 12.8 | 0 | 0 | 0 | 110.4 | V975 Q977 E978 Y982 R983 | V975-N980 VanDerWaalsContact CA-ND2 3.34Å; V975-N980 WeakPolarHBondContact CA-ND2 3.44Å; V975-N980 VanDerWaalsContact CG1-ND2 3.28Å; V975-N980 WeakPolarHBondContact CG1-ND2 3.33Å; V975-N980 PolarHBondContact O-ND2 2.83Å; Q977-N980 WeakPolarHBondContact O-CB 3.33Å; Q977-N980 PolarHBondContact O-N 3.33Å; E978-N980 VanDerWaalsContact C-N 3.32Å; N980-Y982 PolarHBondContact O-N 2.88Å; N980-Y982 WeakPolarHBondContact OD1-CB 3.2Å; N980-Y982 VanDerWaalsContact OD1-CD2 3.27Å; N980-Y982 WeakPolarHBondContact OD1-CD2 3.32Å; N980-Y982 PolarHBondContact OD1-N 2.88Å; N980-R983 HydrophobicContact CB-CB 4.44Å; N980-R983 WeakPolarHBondContact O-CB 3.12Å; N980-R983 PolarHBondContact O-N 2.96Å; N980-R983 VanDerWaalsContact O-N 3.12Å | ||
| 981 | P | 68.7 | Low | 69.1 | Low | 106 Ų | 106 | 73.4 Ų | 73.4 | 69% | 0.688 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -23.1 | 176.4 | -19.5 | 31.4 | 0 | 0 | 0 | 112.7 | S979 | S979-P981 VanDerWaalsContact O-CD 3.27Å; S979-P981 WeakPolarHBondContact O-CD 3.31Å |
| 982 | Y | 69.2 | Low | 69 | Low | 109 Ų | 109 | 78.8 Ų | 78.8 | 43% | 0.427 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 10.6 | -175.6 | -45.3 | -71.1 | 0 | 0 | 0 | 113.5 | F956 N980 P985 L986 | F956-Y982 AromaticContact CE1-CD1 3.8Å; F956-Y982 HydrophobicContact CE1-CD1 3.8Å; F956-Y982 HydrophobicContact CE1-CE1 4.39Å; F956-Y982 AromaticContact CE1-CG 3.98Å; F956-Y982 HydrophobicContact CE1-CG 3.98Å; F956-Y982 AromaticContact CZ-CD1 3.58Å; F956-Y982 HydrophobicContact CZ-CD1 3.58Å; F956-Y982 AromaticContact CZ-CE1 3.91Å; F956-Y982 HydrophobicContact CZ-CE1 3.91Å; F956-Y982 HydrophobicContact CZ-CG 4.24Å; N980-Y982 PolarHBondContact O-N 2.88Å; N980-Y982 WeakPolarHBondContact OD1-CB 3.2Å; N980-Y982 VanDerWaalsContact OD1-CD2 3.27Å; N980-Y982 WeakPolarHBondContact OD1-CD2 3.32Å; N980-Y982 PolarHBondContact OD1-N 2.88Å; Y982-P985 WeakPolarHBondContact O-CD 3.32Å; Y982-L986 PolarHBondContact O-N 3.11Å |
| 983 | R | 69.6 | Low | 68.2 | Low | 72 Ų | 72 | 78.3 Ų | 78.3 | 27% | 0.272 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.4 | -52.5 | -178.3 | 176.3 | -176.5 | -174.9 | -156.7 | 5.1 | 114.4 | L976 E978 N980 L986 I987 | L976-R983 VanDerWaalsContact O-CD 3.23Å; L976-R983 WeakPolarHBondContact O-CD 3.4Å; L976-R983 PolarHBondContact O-NE 2.7Å; E978-R983 IonicContact OE1-NH1 3.48Å; N980-R983 HydrophobicContact CB-CB 4.44Å; N980-R983 WeakPolarHBondContact O-CB 3.12Å; N980-R983 PolarHBondContact O-N 2.96Å; N980-R983 VanDerWaalsContact O-N 3.12Å; R983-L986 WeakPolarHBondContact O-CB 3.35Å; R983-L986 PolarHBondContact O-N 3.09Å; R983-I987 HydrophobicContact CG-CD1 3.85Å; R983-I987 WeakPolarHBondContact O-CG1 3.23Å; R983-I987 PolarHBondContact O-N 3.27Å |
| 984 | R | 73.5 | Confident | 67.5 | Low | 168 Ų | 168 | 77 Ų | 77 | 63% | 0.634 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.1 | -44.1 | -176.4 | -167.1 | 71.5 | -172 | -155.2 | -0.1 | 112.8 | L986 I987 D988 | R984-L986 PolarHBondContact O-N 3.39Å; R984-I987 PolarHBondContact O-N 2.91Å; R984-I987 VanDerWaalsContact O-N 3.14Å; R984-D988 IonicContact CZ-OD1 3.88Å; R984-D988 IonicContact NE-OD1 3.82Å; R984-D988 PolarHBondContact NE-OD1 3.34Å; R984-D988 IonicContact NE-OD2 2.79Å; R984-D988 IonicContact NH2-OD1 2.92Å; R984-D988 PolarHBondContact O-N 3.45Å |
| 985 | P | 71 | Confident | 67.1 | Low | 68 Ų | 68 | 72.7 Ų | 72.7 | 44% | 0.442 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.6 | -32.1 | 172.9 | -24.5 | 32.7 | 0 | 0 | 0 | 113.3 | Y982 Q989 | Y982-P985 WeakPolarHBondContact O-CD 3.32Å; P985-Q989 WeakPolarHBondContact O-CG 3.37Å |
| 986 | L | 67.5 | Low | 66.8 | Low | 15 Ų | 15 | 75.9 Ų | 75.9 | 8% | 0.079 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -71.2 | -48.8 | 174.1 | -166.2 | 86.1 | 0 | 0 | 0 | 112.1 | W972 V975 L976 Y982 R983 R984 D988 Q989 V990 | W972-L986 HydrophobicContact CE3-CD2 3.86Å; W972-L986 HydrophobicContact CH2-CD2 4.4Å; W972-L986 HydrophobicContact CZ3-CD2 3.47Å; W972-L986 VanDerWaalsContact CZ3-CD2 3.47Å; W972-L986 HydrophobicContact CZ3-CG 4.15Å; V975-L986 HydrophobicContact CB-CD2 3.92Å; V975-L986 HydrophobicContact CG1-CB 4.4Å; V975-L986 HydrophobicContact CG1-CD1 4.13Å; V975-L986 HydrophobicContact CG1-CD2 3.44Å; V975-L986 VanDerWaalsContact CG1-CD2 3.44Å; V975-L986 HydrophobicContact CG1-CG 4.18Å; L976-L986 HydrophobicContact CD2-CD2 4.03Å; L976-L986 HydrophobicContact CG-CD2 4.42Å; Y982-L986 PolarHBondContact O-N 3.11Å; R983-L986 WeakPolarHBondContact O-CB 3.35Å; R983-L986 PolarHBondContact O-N 3.09Å; R984-L986 PolarHBondContact O-N 3.39Å; L986-D988 PolarHBondContact O-N 2.92Å; L986-Q989 PolarHBondContact O-N 3.4Å; L986-V990 WeakPolarHBondContact O-CG2 3.3Å; L986-V990 PolarHBondContact O-N 3.45Å |
| 987 | I | 70.8 | Confident | 66.2 | Low | 28 Ų | 28 | 80.3 Ų | 80.3 | 14% | 0.144 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | -177.7 | -66.9 | 171.5 | 0 | 0 | 0 | 112.1 | L976 R983 R984 Q989 V990 V991 F1011 | L976-I987 HydrophobicContact CD2-CD1 3.96Å; L976-I987 HydrophobicContact CD2-CG1 3.51Å; R983-I987 HydrophobicContact CG-CD1 3.85Å; R983-I987 WeakPolarHBondContact O-CG1 3.23Å; R983-I987 PolarHBondContact O-N 3.27Å; R984-I987 PolarHBondContact O-N 2.91Å; R984-I987 VanDerWaalsContact O-N 3.14Å; I987-Q989 VanDerWaalsContact C-N 3.29Å; I987-Q989 PolarHBondContact O-N 3.36Å; I987-V990 WeakPolarHBondContact O-CA 3.44Å; I987-V990 WeakPolarHBondContact O-CB 3.45Å; I987-V990 PolarHBondContact O-N 3.01Å; I987-V991 PolarHBondContact O-N 3.32Å; I987-V991 VanDerWaalsContact O-N 3.09Å; I987-F1011 HydrophobicContact CG2-CZ 3.94Å |
| 988 | D | 71.1 | Confident | 65 | Low | 59 Ų | 59 | 77.5 Ų | 77.5 | 32% | 0.316 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 180 | -66.2 | -23.1 | 0 | 0 | 0 | 110.6 | R984 L986 V990 Q992 | R984-D988 IonicContact CZ-OD1 3.88Å; R984-D988 IonicContact NE-OD1 3.82Å; R984-D988 PolarHBondContact NE-OD1 3.34Å; R984-D988 IonicContact NE-OD2 2.79Å; R984-D988 IonicContact NH2-OD1 2.92Å; R984-D988 PolarHBondContact O-N 3.45Å; L986-D988 PolarHBondContact O-N 2.92Å; D988-V990 PolarHBondContact O-N 3.28Å; D988-Q992 VanDerWaalsContact O-CB 3.25Å; D988-Q992 WeakPolarHBondContact O-CB 3.37Å; D988-Q992 WeakPolarHBondContact O-CG 3.12Å; D988-Q992 PolarHBondContact O-N 3.12Å |
| 989 | Q | 70.7 | Confident | 64.5 | Low | 96 Ų | 96 | 78.4 Ų | 78.4 | 45% | 0.449 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.3 | -16.7 | 172.5 | -65.2 | -68.7 | -41.6 | 0 | 0 | 112.6 | P985 L986 I987 T993 A994 | P985-Q989 WeakPolarHBondContact O-CG 3.37Å; L986-Q989 PolarHBondContact O-N 3.4Å; I987-Q989 VanDerWaalsContact C-N 3.29Å; I987-Q989 PolarHBondContact O-N 3.36Å; Q989-T993 WeakPolarHBondContact O-CA 3.29Å; Q989-T993 WeakPolarHBondContact O-CB 3.43Å; Q989-T993 PolarHBondContact O-N 3.2Å; Q989-T993 VanDerWaalsContact O-N 3.15Å; Q989-T993 PolarHBondContact OE1-OG1 3.16Å; Q989-A994 PolarHBondContact O-N 3.45Å |
| 990 | V | 67 | Low | 63.7 | Low | 17 Ų | 17 | 77.4 Ų | 77.4 | 10% | 0.103 | 40% | 0.396 | C | S | . | . | I | π-helix | trans | -82.6 | -51.1 | 175.1 | 172.9 | 0 | 0 | 0 | 0 | 112.4 | W972 L986 I987 D988 A994 L995 T1007 | W972-V990 HydrophobicContact CH2-CG2 3.59Å; W972-V990 HydrophobicContact CZ3-CG2 3.94Å; L986-V990 WeakPolarHBondContact O-CG2 3.3Å; L986-V990 PolarHBondContact O-N 3.45Å; I987-V990 WeakPolarHBondContact O-CA 3.44Å; I987-V990 WeakPolarHBondContact O-CB 3.45Å; I987-V990 PolarHBondContact O-N 3.01Å; D988-V990 PolarHBondContact O-N 3.28Å; V990-A994 PolarHBondContact O-N 3.23Å; V990-L995 PolarHBondContact O-N 2.92Å; V990-T1007 HydrophobicContact CG1-CG2 3.74Å |
| 991 | V | 63.3 | Low | 63.2 | Low | 73 Ų | 73 | 80.2 Ų | 80.2 | 44% | 0.442 | 42% | 0.416 | S | S | . | . | I | π-helix | trans | -68.2 | -36.7 | 178.6 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | I987 F1011 | I987-V991 PolarHBondContact O-N 3.32Å; I987-V991 VanDerWaalsContact O-N 3.09Å; V991-F1011 HydrophobicContact CG2-CE1 3.56Å; V991-F1011 HydrophobicContact CG2-CE2 3.92Å; V991-F1011 HydrophobicContact CG2-CZ 3.05Å |
| 992 | Q | 64.6 | Low | 62.5 | Low | 139 Ų | 139 | 80.1 Ų | 80.1 | 65% | 0.65 | 41% | 0.41 | S | S | * | . | I | π-helix | trans | -87.2 | -39.9 | -176.7 | -65.6 | -174.3 | -6.4 | 0 | 0 | 113.7 | D988 S996 | D988-Q992 VanDerWaalsContact O-CB 3.25Å; D988-Q992 WeakPolarHBondContact O-CB 3.37Å; D988-Q992 WeakPolarHBondContact O-CG 3.12Å; D988-Q992 PolarHBondContact O-N 3.12Å; Q992-S996 PolarHBondContact O-OG 2.7Å |
| 993 | T | 59.3 | Low | 61.8 | Low | 48 Ų | 48 | 76.9 Ų | 76.9 | 29% | 0.294 | 40% | 0.4 | S | S | . | . | I | π-helix | trans | -113.5 | -49.2 | -167.9 | -40.8 | 0 | 0 | 0 | 0 | 112.8 | Q989 S996 E997 | Q989-T993 WeakPolarHBondContact O-CA 3.29Å; Q989-T993 WeakPolarHBondContact O-CB 3.43Å; Q989-T993 PolarHBondContact O-N 3.2Å; Q989-T993 VanDerWaalsContact O-N 3.15Å; Q989-T993 PolarHBondContact OE1-OG1 3.16Å; T993-S996 PolarHBondContact O-OG 3.06Å; T993-E997 WeakPolarHBondContact O-CB 3.43Å; T993-E997 VanDerWaalsContact O-CG 3.22Å; T993-E997 WeakPolarHBondContact O-CG 3.31Å; T993-E997 PolarHBondContact O-N 2.92Å |
| 994 | A | 56.2 | Low | 61.4 | Low | 27 Ų | 27 | 77.5 Ų | 77.5 | 22% | 0.223 | 41% | 0.407 | C | S | . | . | I | π-helix | trans | -69.9 | -42 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q989 V990 T998 | Q989-A994 PolarHBondContact O-N 3.45Å; V990-A994 PolarHBondContact O-N 3.23Å; A994-T998 PolarHBondContact O-N 2.85Å; A994-T998 PolarHBondContact O-OG1 3.19Å |
| 995 | L | 58 | Low | 60.9 | Low | 39 Ų | 39 | 72.5 Ų | 72.5 | 20% | 0.204 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -79 | -29.2 | -176.1 | -90.7 | -171.2 | 0 | 0 | 0 | 116 | V990 D1003 I1004 T1007 | V990-L995 PolarHBondContact O-N 2.92Å; L995-D1003 VanDerWaalsContact CD2-O 3.23Å; L995-D1003 WeakPolarHBondContact CD2-O 3.27Å; L995-I1004 HydrophobicContact CD2-CB 4.44Å; L995-I1004 HydrophobicContact CD2-CG1 4.13Å; L995-T1007 HydrophobicContact CD1-CG2 3.26Å; L995-T1007 VanDerWaalsContact CD2-CB 3.49Å; L995-T1007 HydrophobicContact CD2-CG2 4.12Å; L995-T1007 WeakPolarHBondContact CD2-OG1 3.49Å; L995-T1007 HydrophobicContact CG-CG2 3.62Å |
| 996 | S | 61.8 | Low | 60.9 | Low | 86 Ų | 86 | 73.7 Ų | 73.7 | 60% | 0.601 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -74.7 | -30.4 | 175 | 55.8 | 0 | 0 | 0 | 0 | 111.4 | Q992 T993 T998 | Q992-S996 PolarHBondContact O-OG 2.7Å; T993-S996 PolarHBondContact O-OG 3.06Å; S996-T998 VanDerWaalsContact C-N 3.35Å |
| 997 | E | 60.4 | Low | 60.8 | Low | 145 Ų | 145 | 73.7 Ų | 73.7 | 68% | 0.678 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -80.5 | -14.7 | 178.4 | -73.8 | -177.4 | -177.9 | 0 | 0 | 113.4 | T993 | T993-E997 WeakPolarHBondContact O-CB 3.43Å; T993-E997 VanDerWaalsContact O-CG 3.22Å; T993-E997 WeakPolarHBondContact O-CG 3.31Å; T993-E997 PolarHBondContact O-N 2.92Å |
| 998 | T | 46 | Very low | 60.6 | Low | 40 Ų | 40 | 74.9 Ų | 74.9 | 25% | 0.245 | 41% | 0.411 | C | S | . | . | trans | -110.2 | 109.9 | -176.8 | -24.8 | 0 | 0 | 0 | 0 | 111.7 | A994 S996 D1000 D1003 | A994-T998 PolarHBondContact O-N 2.85Å; A994-T998 PolarHBondContact O-OG1 3.19Å; S996-T998 VanDerWaalsContact C-N 3.35Å; T998-D1000 HydrophobicContact CG2-CB 4.15Å; T998-D1000 PolarHBondContact O-N 3.11Å; T998-D1003 VanDerWaalsContact CB-CB 3.47Å; T998-D1003 HydrophobicContact CG2-CB 3.58Å; T998-D1003 WeakPolarHBondContact CG2-OD2 3.31Å | ||
| 999 | Q | 53.7 | Low | 59.9 | Low | 189 Ų | 189 | 77.7 Ų | 77.7 | 88% | 0.883 | 42% | 0.42 | S | S | * | . | trans | -82.8 | 1 | 176.3 | -63.8 | -162 | -1.5 | 0 | 0 | 112.9 | P1001 | Q999-P1001 VanDerWaalsContact O-CD 3.25Å; Q999-P1001 WeakPolarHBondContact O-CD 3.11Å | ||
| 1000 | D | 50.5 | Low | 59.9 | Low | 73 Ų | 73 | 75 Ų | 75 | 39% | 0.39 | 41% | 0.414 | S | S | . | . | trans | -73.9 | 118.8 | 177 | -153.7 | -28.9 | 0 | 0 | 0 | 107.7 | T998 D1002 D1003 I1004 | T998-D1000 HydrophobicContact CG2-CB 4.15Å; T998-D1000 PolarHBondContact O-N 3.11Å; D1000-D1002 HydrophobicContact CB-CB 4.43Å; D1000-D1002 PolarHBondContact O-N 3.08Å; D1000-D1002 WeakPolarHBondContact OD1-CB 3.13Å; D1000-D1002 PolarHBondContact OD1-N 3.14Å; D1000-D1002 VanDerWaalsContact OD1-N 3.11Å; D1000-D1003 HydrophobicContact CB-CB 4.4Å; D1000-D1003 VanDerWaalsContact CB-OD2 3.25Å; D1000-D1003 WeakPolarHBondContact CB-OD2 3.48Å; D1000-D1003 PolarHBondContact O-N 3.21Å; D1000-I1004 PolarHBondContact O-N 3.46Å | ||
| 1001 | P | 53.6 | Low | 60 | Low | 88 Ų | 88 | 76.7 Ų | 76.7 | 57% | 0.571 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -51.8 | -21.7 | 168.9 | 12.9 | -20.5 | 0 | 0 | 0 | 111.1 | Q999 T1005 | Q999-P1001 VanDerWaalsContact O-CD 3.25Å; Q999-P1001 WeakPolarHBondContact O-CD 3.11Å; P1001-T1005 WeakPolarHBondContact O-CB 3.46Å; P1001-T1005 PolarHBondContact O-N 3.5Å; P1001-T1005 PolarHBondContact O-OG1 2.93Å |
| 1002 | D | 55.7 | Low | 60.1 | Low | 104 Ų | 104 | 78.3 Ų | 78.3 | 56% | 0.556 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.3 | -36.4 | 174.2 | -73.2 | -21 | 0 | 0 | 0 | 113.7 | D1000 T1005 V1006 | D1000-D1002 HydrophobicContact CB-CB 4.43Å; D1000-D1002 PolarHBondContact O-N 3.08Å; D1000-D1002 WeakPolarHBondContact OD1-CB 3.13Å; D1000-D1002 PolarHBondContact OD1-N 3.14Å; D1000-D1002 VanDerWaalsContact OD1-N 3.11Å; D1002-T1005 CarbonylContact O-C 3.53Å; D1002-T1005 PolarHBondContact O-N 2.84Å; D1002-V1006 VanDerWaalsContact O-CB 3.31Å; D1002-V1006 WeakPolarHBondContact O-CB 3.33Å; D1002-V1006 WeakPolarHBondContact O-CG2 3.36Å; D1002-V1006 PolarHBondContact O-N 2.99Å |
| 1003 | D | 54.3 | Low | 60.1 | Low | 41 Ų | 41 | 77.3 Ų | 77.3 | 22% | 0.219 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -75.6 | -37.7 | 177.6 | -70.8 | -68.2 | 0 | 0 | 0 | 111.3 | L995 T998 D1000 T1005 V1006 T1007 | L995-D1003 VanDerWaalsContact CD2-O 3.23Å; L995-D1003 WeakPolarHBondContact CD2-O 3.27Å; T998-D1003 VanDerWaalsContact CB-CB 3.47Å; T998-D1003 HydrophobicContact CG2-CB 3.58Å; T998-D1003 WeakPolarHBondContact CG2-OD2 3.31Å; D1000-D1003 HydrophobicContact CB-CB 4.4Å; D1000-D1003 VanDerWaalsContact CB-OD2 3.25Å; D1000-D1003 WeakPolarHBondContact CB-OD2 3.48Å; D1000-D1003 PolarHBondContact O-N 3.21Å; D1003-T1005 VanDerWaalsContact C-N 3.28Å; D1003-T1005 PolarHBondContact O-N 2.98Å; D1003-V1006 PolarHBondContact O-N 3.25Å; D1003-T1007 WeakPolarHBondContact O-CB 3.38Å; D1003-T1007 PolarHBondContact O-N 2.9Å; D1003-T1007 PolarHBondContact O-OG1 2.93Å |
| 1004 | I | 61 | Low | 60.6 | Low | 84 Ų | 84 | 77.2 Ų | 77.2 | 43% | 0.431 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 168.7 | -60.4 | 176.8 | 0 | 0 | 0 | 110.1 | L995 D1000 T1007 V1008 | L995-I1004 HydrophobicContact CD2-CB 4.44Å; L995-I1004 HydrophobicContact CD2-CG1 4.13Å; D1000-I1004 PolarHBondContact O-N 3.46Å; I1004-T1007 PolarHBondContact O-N 2.88Å; I1004-V1008 HydrophobicContact CG2-CG2 3.99Å; I1004-V1008 WeakPolarHBondContact O-CB 3.25Å; I1004-V1008 VanDerWaalsContact O-CG2 3.29Å; I1004-V1008 WeakPolarHBondContact O-CG2 3.37Å; I1004-V1008 PolarHBondContact O-N 2.94Å |
| 1005 | T | 63.4 | Low | 60.8 | Low | 63 Ų | 63 | 82.2 Ų | 82.2 | 39% | 0.387 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -72.7 | -43.2 | 178.1 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | P1001 D1002 D1003 T1007 K1009 | P1001-T1005 WeakPolarHBondContact O-CB 3.46Å; P1001-T1005 PolarHBondContact O-N 3.5Å; P1001-T1005 PolarHBondContact O-OG1 2.93Å; D1002-T1005 CarbonylContact O-C 3.53Å; D1002-T1005 PolarHBondContact O-N 2.84Å; D1003-T1005 VanDerWaalsContact C-N 3.28Å; D1003-T1005 PolarHBondContact O-N 2.98Å; T1005-T1007 PolarHBondContact O-N 2.93Å; T1005-K1009 HydrophobicContact CG2-CD 4.25Å; T1005-K1009 WeakPolarHBondContact O-CA 3.39Å; T1005-K1009 WeakPolarHBondContact O-CB 3.34Å; T1005-K1009 WeakPolarHBondContact O-CG 3.49Å; T1005-K1009 PolarHBondContact O-N 3.33Å |
| 1006 | V | 69.2 | Low | 61.3 | Low | 93 Ų | 93 | 83 Ų | 83 | 56% | 0.564 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.7 | -28.1 | 175.7 | 169.9 | 0 | 0 | 0 | 0 | 110.2 | D1002 D1003 A1010 | D1002-V1006 VanDerWaalsContact O-CB 3.31Å; D1002-V1006 WeakPolarHBondContact O-CB 3.33Å; D1002-V1006 WeakPolarHBondContact O-CG2 3.36Å; D1002-V1006 PolarHBondContact O-N 2.99Å; D1003-V1006 PolarHBondContact O-N 3.25Å; V1006-A1010 VanDerWaalsContact O-CB 3.32Å; V1006-A1010 WeakPolarHBondContact O-CB 3.45Å; V1006-A1010 PolarHBondContact O-N 3.06Å |
| 1007 | T | 65.8 | Low | 61.3 | Low | 15 Ų | 15 | 82.5 Ų | 82.5 | 9% | 0.092 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -94.6 | -41 | -180 | -46.2 | 0 | 0 | 0 | 0 | 114.5 | V990 L995 D1003 I1004 T1005 K1009 A1010 F1011 | V990-T1007 HydrophobicContact CG1-CG2 3.74Å; L995-T1007 HydrophobicContact CD1-CG2 3.26Å; L995-T1007 VanDerWaalsContact CD2-CB 3.49Å; L995-T1007 HydrophobicContact CD2-CG2 4.12Å; L995-T1007 WeakPolarHBondContact CD2-OG1 3.49Å; L995-T1007 HydrophobicContact CG-CG2 3.62Å; D1003-T1007 WeakPolarHBondContact O-CB 3.38Å; D1003-T1007 PolarHBondContact O-N 2.9Å; D1003-T1007 PolarHBondContact O-OG1 2.93Å; I1004-T1007 PolarHBondContact O-N 2.88Å; T1005-T1007 PolarHBondContact O-N 2.93Å; T1007-K1009 PolarHBondContact O-N 3.3Å; T1007-A1010 CarbonylContact O-C 3.57Å; T1007-A1010 PolarHBondContact O-N 3.46Å; T1007-F1011 HydrophobicContact CG2-CD2 3.71Å; T1007-F1011 HydrophobicContact CG2-CE2 3.74Å; T1007-F1011 WeakPolarHBondContact O-CB 3.42Å; T1007-F1011 WeakPolarHBondContact O-CD2 3.3Å; T1007-F1011 PolarHBondContact O-N 3.14Å |
| 1008 | V | 67.3 | Low | 61.4 | Low | 54 Ų | 54 | 81.3 Ų | 81.3 | 33% | 0.327 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -56.2 | -34.3 | 164.9 | 170.8 | 0 | 0 | 0 | 0 | 108.5 | I1004 F1011 M1012 L1020 | I1004-V1008 HydrophobicContact CG2-CG2 3.99Å; I1004-V1008 WeakPolarHBondContact O-CB 3.25Å; I1004-V1008 VanDerWaalsContact O-CG2 3.29Å; I1004-V1008 WeakPolarHBondContact O-CG2 3.37Å; I1004-V1008 PolarHBondContact O-N 2.94Å; V1008-F1011 PolarHBondContact O-N 3.21Å; V1008-M1012 HydrophobicContact CG1-CG 4.37Å; V1008-M1012 WeakPolarHBondContact O-CB 3.3Å; V1008-M1012 VanDerWaalsContact O-CG 3.31Å; V1008-M1012 WeakPolarHBondContact O-CG 3.33Å; V1008-M1012 PolarHBondContact O-N 3.03Å; V1008-L1020 HydrophobicContact CG1-CD1 4.32Å |
| 1009 | K | 56.2 | Low | 62.5 | Low | 117 Ų | 117 | 83.6 Ų | 83.6 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.4 | -51.6 | 168.3 | -81.3 | 178.2 | 174.9 | 178 | 0 | 112.8 | T1005 T1007 F1011 M1012 T1013 | T1005-K1009 HydrophobicContact CG2-CD 4.25Å; T1005-K1009 WeakPolarHBondContact O-CA 3.39Å; T1005-K1009 WeakPolarHBondContact O-CB 3.34Å; T1005-K1009 WeakPolarHBondContact O-CG 3.49Å; T1005-K1009 PolarHBondContact O-N 3.33Å; T1007-K1009 PolarHBondContact O-N 3.3Å; K1009-F1011 PolarHBondContact O-N 3.2Å; K1009-M1012 HydrophobicContact CG-CE 4.46Å; K1009-M1012 PolarHBondContact O-N 3.36Å; K1009-T1013 WeakPolarHBondContact O-CA 3.11Å; K1009-T1013 WeakPolarHBondContact O-CB 3.3Å; K1009-T1013 PolarHBondContact O-N 3.46Å; K1009-T1013 PolarHBondContact O-OG1 2.64Å |
| 1010 | A | 71.5 | Confident | 63 | Low | 40 Ų | 40 | 77.2 Ų | 77.2 | 33% | 0.331 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -54.8 | -30 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1006 T1007 T1013 A1014 | V1006-A1010 VanDerWaalsContact O-CB 3.32Å; V1006-A1010 WeakPolarHBondContact O-CB 3.45Å; V1006-A1010 PolarHBondContact O-N 3.06Å; T1007-A1010 CarbonylContact O-C 3.57Å; T1007-A1010 PolarHBondContact O-N 3.46Å; A1010-T1013 CarbonylContact O-C 3.53Å; A1010-A1014 WeakPolarHBondContact O-CB 3.34Å; A1010-A1014 PolarHBondContact O-N 2.8Å |
| 1011 | F | 68.6 | Low | 63.7 | Low | 52 Ų | 52 | 76.7 Ų | 76.7 | 23% | 0.228 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -84.7 | -40.1 | -179.4 | -83.1 | -121.2 | 0 | 0 | 0 | 113.7 | I987 V991 T1007 V1008 K1009 T1013 A1014 D1015 L1016 | I987-F1011 HydrophobicContact CG2-CZ 3.94Å; V991-F1011 HydrophobicContact CG2-CE1 3.56Å; V991-F1011 HydrophobicContact CG2-CE2 3.92Å; V991-F1011 HydrophobicContact CG2-CZ 3.05Å; T1007-F1011 HydrophobicContact CG2-CD2 3.71Å; T1007-F1011 HydrophobicContact CG2-CE2 3.74Å; T1007-F1011 WeakPolarHBondContact O-CB 3.42Å; T1007-F1011 WeakPolarHBondContact O-CD2 3.3Å; T1007-F1011 PolarHBondContact O-N 3.14Å; V1008-F1011 PolarHBondContact O-N 3.21Å; K1009-F1011 PolarHBondContact O-N 3.2Å; F1011-T1013 PolarHBondContact O-N 3.42Å; F1011-A1014 CarbonylContact O-C 3.49Å; F1011-A1014 PolarHBondContact O-N 2.75Å; F1011-D1015 PolarHBondContact O-N 3.34Å; F1011-L1016 HydrophobicContact CB-CD1 4.31Å; F1011-L1016 HydrophobicContact CD1-CD1 3.55Å; F1011-L1016 HydrophobicContact CE1-CD1 3.96Å; F1011-L1016 HydrophobicContact CG-CD1 4.09Å; F1011-L1016 PolarHBondContact O-N 2.97Å |
| 1012 | M | 64.6 | Low | 64.3 | Low | 107 Ų | 107 | 79 Ų | 79 | 53% | 0.527 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63 | -31 | 164.8 | -71.1 | -167.3 | -34.4 | 0 | 0 | 110.9 | V1008 K1009 D1015 | V1008-M1012 HydrophobicContact CG1-CG 4.37Å; V1008-M1012 WeakPolarHBondContact O-CB 3.3Å; V1008-M1012 VanDerWaalsContact O-CG 3.31Å; V1008-M1012 WeakPolarHBondContact O-CG 3.33Å; V1008-M1012 PolarHBondContact O-N 3.03Å; K1009-M1012 HydrophobicContact CG-CE 4.46Å; K1009-M1012 PolarHBondContact O-N 3.36Å; M1012-D1015 WeakPolarHBondContact O-CA 3.43Å; M1012-D1015 PolarHBondContact O-N 3.19Å; M1012-D1015 VanDerWaalsContact O-N 3.09Å |
| 1013 | T | 66 | Low | 65 | Low | 119 Ų | 119 | 78.8 Ų | 78.8 | 73% | 0.73 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -77.9 | -25.6 | 177.5 | -51.6 | 0 | 0 | 0 | 0 | 111.4 | K1009 A1010 F1011 D1015 | K1009-T1013 WeakPolarHBondContact O-CA 3.11Å; K1009-T1013 WeakPolarHBondContact O-CB 3.3Å; K1009-T1013 PolarHBondContact O-N 3.46Å; K1009-T1013 PolarHBondContact O-OG1 2.64Å; A1010-T1013 CarbonylContact O-C 3.53Å; F1011-T1013 PolarHBondContact O-N 3.42Å; T1013-D1015 VanDerWaalsContact C-N 3.26Å |
| 1014 | A | 68.1 | Low | 65.6 | Low | 45 Ų | 45 | 79.4 Ų | 79.4 | 37% | 0.372 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -1.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1010 F1011 L1016 | A1010-A1014 WeakPolarHBondContact O-CB 3.34Å; A1010-A1014 PolarHBondContact O-N 2.8Å; F1011-A1014 CarbonylContact O-C 3.49Å; F1011-A1014 PolarHBondContact O-N 2.75Å; A1014-L1016 HydrophobicContact CB-CD1 4.04Å; A1014-L1016 HydrophobicContact CB-CG 4.3Å |
| 1015 | D | 61.5 | Low | 65.8 | Low | 132 Ų | 132 | 80.3 Ų | 80.3 | 71% | 0.706 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 70.6 | 177.2 | -151.3 | 12.9 | 0 | 0 | 0 | 115 | F1011 M1012 T1013 P1017 | F1011-D1015 PolarHBondContact O-N 3.34Å; M1012-D1015 WeakPolarHBondContact O-CA 3.43Å; M1012-D1015 PolarHBondContact O-N 3.19Å; M1012-D1015 VanDerWaalsContact O-N 3.09Å; T1013-D1015 VanDerWaalsContact C-N 3.26Å; D1015-P1017 WeakPolarHBondContact O-CD 3.45Å |
| 1016 | L | 67.6 | Low | 65.9 | Low | 57 Ų | 57 | 84.1 Ų | 84.1 | 30% | 0.298 | 45% | 0.446 | S | S | . | . | trans | -120.9 | 73.7 | -174.2 | -61.4 | 167.5 | 0 | 0 | 0 | 112 | F1011 A1014 E1019 | F1011-L1016 HydrophobicContact CB-CD1 4.31Å; F1011-L1016 HydrophobicContact CD1-CD1 3.55Å; F1011-L1016 HydrophobicContact CE1-CD1 3.96Å; F1011-L1016 HydrophobicContact CG-CD1 4.09Å; F1011-L1016 PolarHBondContact O-N 2.97Å; A1014-L1016 HydrophobicContact CB-CD1 4.04Å; A1014-L1016 HydrophobicContact CB-CG 4.3Å; L1016-E1019 WeakPolarHBondContact CA-OE2 2.88Å; L1016-E1019 HydrophobicContact CB-CB 4.33Å; L1016-E1019 HydrophobicContact CB-CG 4.34Å; L1016-E1019 WeakPolarHBondContact CB-OE2 3.17Å | ||
| 1017 | P | 61.6 | Low | 65.6 | Low | 74 Ų | 74 | 82.2 Ų | 82.2 | 48% | 0.481 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -80.4 | -25 | -168.9 | 30.4 | -36.1 | 0 | 0 | 0 | 115.4 | D1015 L1020 I1021 | D1015-P1017 WeakPolarHBondContact O-CD 3.45Å; P1017-L1020 WeakPolarHBondContact O-CB 3.35Å; P1017-L1020 PolarHBondContact O-N 3.37Å; P1017-I1021 PolarHBondContact O-N 3Å |
| 1018 | N | 63.4 | Low | 65.3 | Low | 121 Ų | 121 | 82 Ų | 82 | 65% | 0.647 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -70.8 | -42.7 | 177.2 | -69 | -38 | 0 | 0 | 0 | 110.1 | L1020 E1022 | N1018-L1020 PolarHBondContact O-N 2.89Å; N1018-E1022 VanDerWaalsContact O-CB 3.23Å; N1018-E1022 WeakPolarHBondContact O-CB 3.2Å; N1018-E1022 PolarHBondContact O-N 3.44Å; N1018-E1022 VanDerWaalsContact O-N 3.15Å |
| 1019 | E | 67.9 | Low | 64.9 | Low | 88 Ų | 88 | 84.3 Ų | 84.3 | 41% | 0.411 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.3 | -18.3 | 172 | -61.2 | 77.9 | -180 | 0 | 0 | 111.2 | L1016 I1023 | L1016-E1019 WeakPolarHBondContact CA-OE2 2.88Å; L1016-E1019 HydrophobicContact CB-CB 4.33Å; L1016-E1019 HydrophobicContact CB-CG 4.34Å; L1016-E1019 WeakPolarHBondContact CB-OE2 3.17Å; E1019-I1023 WeakPolarHBondContact O-CD1 3.31Å; E1019-I1023 WeakPolarHBondContact O-CG1 3.41Å; E1019-I1023 PolarHBondContact O-N 3.43Å |
| 1020 | L | 65.8 | Low | 64.8 | Low | 54 Ų | 54 | 84.6 Ų | 84.6 | 28% | 0.283 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -94.6 | -46.5 | -179.2 | -155.5 | 92.4 | 0 | 0 | 0 | 114.6 | V1008 P1017 N1018 E1022 I1023 L1024 | V1008-L1020 HydrophobicContact CG1-CD1 4.32Å; P1017-L1020 WeakPolarHBondContact O-CB 3.35Å; P1017-L1020 PolarHBondContact O-N 3.37Å; N1018-L1020 PolarHBondContact O-N 2.89Å; L1020-E1022 PolarHBondContact O-N 3.26Å; L1020-I1023 WeakPolarHBondContact O-CA 3.49Å; L1020-I1023 WeakPolarHBondContact O-CB 3.37Å; L1020-I1023 PolarHBondContact O-N 3.28Å; L1020-L1024 HydrophobicContact CD2-CD1 4.33Å; L1020-L1024 HydrophobicContact CG-CD1 4.44Å; L1020-L1024 WeakPolarHBondContact O-CG 3.42Å; L1020-L1024 PolarHBondContact O-N 2.87Å |
| 1021 | I | 64.4 | Low | 63.8 | Low | 62 Ų | 62 | 86.3 Ų | 86.3 | 32% | 0.318 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -57.8 | -37.3 | 171 | -66.4 | 176.4 | 0 | 0 | 0 | 109.1 | P1017 I1023 L1024 E1025 T1047 | P1017-I1021 PolarHBondContact O-N 3Å; I1021-I1023 VanDerWaalsContact C-N 3.34Å; I1021-I1023 PolarHBondContact O-N 3.35Å; I1021-L1024 PolarHBondContact O-N 3.43Å; I1021-E1025 HydrophobicContact CG2-CG 4.01Å; I1021-E1025 PolarHBondContact O-N 3.26Å; I1021-T1047 HydrophobicContact CD1-CG2 4.31Å; I1021-T1047 HydrophobicContact CG1-CG2 4.25Å |
| 1022 | E | 67.1 | Low | 63 | Low | 138 Ų | 138 | 89.3 Ų | 89.3 | 65% | 0.645 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65 | -33.4 | 175 | -167.2 | 177.1 | -171.9 | 0 | 0 | 113 | N1018 L1020 K1026 | N1018-E1022 VanDerWaalsContact O-CB 3.23Å; N1018-E1022 WeakPolarHBondContact O-CB 3.2Å; N1018-E1022 PolarHBondContact O-N 3.44Å; N1018-E1022 VanDerWaalsContact O-N 3.15Å; L1020-E1022 PolarHBondContact O-N 3.26Å; E1022-K1026 VanDerWaalsContact O-CB 3.3Å; E1022-K1026 WeakPolarHBondContact O-CB 3.47Å |
| 1023 | I | 69.5 | Low | 62.8 | Low | 98 Ų | 98 | 88.2 Ų | 88.2 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.4 | -31.1 | 168.7 | -71.6 | 162.9 | 0 | 0 | 0 | 111.4 | E1019 L1020 I1021 V1027 | E1019-I1023 WeakPolarHBondContact O-CD1 3.31Å; E1019-I1023 WeakPolarHBondContact O-CG1 3.41Å; E1019-I1023 PolarHBondContact O-N 3.43Å; L1020-I1023 WeakPolarHBondContact O-CA 3.49Å; L1020-I1023 WeakPolarHBondContact O-CB 3.37Å; L1020-I1023 PolarHBondContact O-N 3.28Å; I1021-I1023 VanDerWaalsContact C-N 3.34Å; I1021-I1023 PolarHBondContact O-N 3.35Å; I1023-V1027 WeakPolarHBondContact O-CG2 3.4Å |
| 1024 | L | 66.6 | Low | 62.3 | Low | 54 Ų | 54 | 86.5 Ų | 86.5 | 28% | 0.283 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -95.2 | -46.1 | -167.5 | -73 | 169.1 | 0 | 0 | 0 | 116.5 | L1020 I1021 K1026 V1027 V1028 L1043 | L1020-L1024 HydrophobicContact CD2-CD1 4.33Å; L1020-L1024 HydrophobicContact CG-CD1 4.44Å; L1020-L1024 WeakPolarHBondContact O-CG 3.42Å; L1020-L1024 PolarHBondContact O-N 2.87Å; I1021-L1024 PolarHBondContact O-N 3.43Å; L1024-K1026 PolarHBondContact O-N 3.1Å; L1024-V1027 PolarHBondContact O-N 2.79Å; L1024-V1028 VanDerWaalsContact O-CG2 3.32Å; L1024-V1028 WeakPolarHBondContact O-CG2 3.34Å; L1024-V1028 PolarHBondContact O-N 3.48Å; L1024-L1043 HydrophobicContact CB-CD2 4.38Å; L1024-L1043 HydrophobicContact CD1-CD2 4.01Å; L1024-L1043 HydrophobicContact CD2-CD2 4.04Å; L1024-L1043 HydrophobicContact CG-CD2 4.38Å |
| 1025 | E | 65.9 | Low | 61.6 | Low | 103 Ų | 103 | 85.7 Ų | 85.7 | 48% | 0.481 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -56.2 | -40.8 | 173 | -74.5 | -174.6 | 150.8 | 0 | 0 | 110.2 | I1021 V1027 V1028 L1029 | I1021-E1025 HydrophobicContact CG2-CG 4.01Å; I1021-E1025 PolarHBondContact O-N 3.26Å; E1025-V1027 PolarHBondContact O-N 3.3Å; E1025-V1027 VanDerWaalsContact O-N 3.11Å; E1025-V1028 PolarHBondContact O-N 3.25Å; E1025-L1029 PolarHBondContact O-N 2.86Å; E1025-L1029 VanDerWaalsContact O-N 3.1Å |
| 1026 | K | 64.3 | Low | 61.4 | Low | 144 Ų | 144 | 88.4 Ų | 88.4 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.9 | -16 | 176.3 | -161.9 | 171.6 | -173.6 | 174.6 | 0 | 113.7 | E1022 L1024 | E1022-K1026 VanDerWaalsContact O-CB 3.3Å; E1022-K1026 WeakPolarHBondContact O-CB 3.47Å; L1024-K1026 PolarHBondContact O-N 3.1Å |
| 1027 | V | 63.9 | Low | 61 | Low | 52 Ų | 52 | 89.9 Ų | 89.9 | 32% | 0.315 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -103.6 | -34.4 | 177.5 | 173.5 | 0 | 0 | 0 | 0 | 112 | I1023 L1024 E1025 N1031 F1034 | I1023-V1027 WeakPolarHBondContact O-CG2 3.4Å; L1024-V1027 PolarHBondContact O-N 2.79Å; E1025-V1027 PolarHBondContact O-N 3.3Å; E1025-V1027 VanDerWaalsContact O-N 3.11Å; V1027-N1031 WeakPolarHBondContact O-CB 3.5Å; V1027-F1034 HydrophobicContact CG1-CD2 4.23Å; V1027-F1034 HydrophobicContact CG1-CE2 4.44Å; V1027-F1034 HydrophobicContact CG1-CG 4.46Å; V1027-F1034 WeakPolarHBondContact O-CB 3.35Å |
| 1028 | V | 59.4 | Low | 61.2 | Low | 10 Ų | 10 | 92.8 Ų | 92.8 | 6% | 0.061 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -93.5 | -45.6 | -168.4 | 165.5 | 0 | 0 | 0 | 0 | 114.7 | L1024 E1025 L1040 L1043 L1044 | L1024-V1028 VanDerWaalsContact O-CG2 3.32Å; L1024-V1028 WeakPolarHBondContact O-CG2 3.34Å; L1024-V1028 PolarHBondContact O-N 3.48Å; E1025-V1028 PolarHBondContact O-N 3.25Å; V1028-L1040 HydrophobicContact CB-CB 4.03Å; V1028-L1040 HydrophobicContact CG1-CB 3.68Å; V1028-L1040 WeakPolarHBondContact CG1-O 3.39Å; V1028-L1040 HydrophobicContact CG2-CB 3.75Å; V1028-L1040 HydrophobicContact CG2-CD1 4.18Å; V1028-L1040 HydrophobicContact CG2-CD2 3.48Å; V1028-L1040 VanDerWaalsContact CG2-CD2 3.48Å; V1028-L1040 HydrophobicContact CG2-CG 3.97Å; V1028-L1043 HydrophobicContact CG2-CB 4.45Å; V1028-L1043 HydrophobicContact CG2-CD2 4.36Å; V1028-L1044 HydrophobicContact CG1-CB 4.05Å |
| 1029 | L | 59.8 | Low | 61.3 | Low | 104 Ų | 104 | 91.7 Ų | 91.7 | 55% | 0.545 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -35.6 | 179.9 | -76 | 171.6 | 0 | 0 | 0 | 111 | E1025 L1044 | E1025-L1029 PolarHBondContact O-N 2.86Å; E1025-L1029 VanDerWaalsContact O-N 3.1Å; L1029-L1044 HydrophobicContact CD1-CD1 3.81Å; L1029-L1044 HydrophobicContact CD1-CD2 4.5Å; L1029-L1044 HydrophobicContact CD2-CD1 4.33Å; L1029-L1044 HydrophobicContact CD2-CD2 3.55Å; L1029-L1044 HydrophobicContact CG-CD1 4.08Å; L1029-L1044 HydrophobicContact CG-CD2 4.17Å |
| 1030 | D | 54 | Low | 61.2 | Low | 122 Ų | 122 | 88.6 Ų | 88.6 | 65% | 0.652 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -96 | -18.9 | -169.1 | -75 | -15.2 | 0 | 0 | 0 | 115 | ||
| 1031 | N | 50 | Low | 61 | Low | 76 Ų | 76 | 89.3 Ų | 89.3 | 41% | 0.406 | 46% | 0.457 | S | S | . | . | trans | -110.1 | 108.8 | -177.1 | -145 | -20.6 | 0 | 0 | 0 | 109.7 | V1027 S1033 F1034 | V1027-N1031 WeakPolarHBondContact O-CB 3.5Å; N1031-S1033 VanDerWaalsContact C-N 3.32Å; N1031-S1033 PolarHBondContact O-N 3.37Å; N1031-F1034 HydrophobicContact CB-CD2 4.03Å; N1031-F1034 VanDerWaalsContact O-CB 3.24Å; N1031-F1034 WeakPolarHBondContact O-CB 3.45Å; N1031-F1034 PolarHBondContact O-N 3.24Å; N1031-F1034 VanDerWaalsContact O-N 3.1Å | ||
| 1032 | P | 51.7 | Low | 61.2 | Low | 116 Ų | 116 | 88.2 Ų | 88.2 | 75% | 0.753 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -72.9 | -14.4 | -164 | 23.2 | -31.6 | 0 | 0 | 0 | 115.4 | F1034 | P1032-F1034 PolarHBondContact O-N 2.86Å; P1032-F1034 VanDerWaalsContact O-N 3.08Å |
| 1033 | S | 60.7 | Low | 61.4 | Low | 84 Ų | 84 | 84.4 Ų | 84.4 | 59% | 0.587 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -65.4 | -7 | 169 | 38.2 | 0 | 0 | 0 | 0 | 113.5 | N1031 | N1031-S1033 VanDerWaalsContact C-N 3.32Å; N1031-S1033 PolarHBondContact O-N 3.37Å |
| 1034 | F | 54.9 | Low | 61.2 | Low | 82 Ų | 82 | 82.3 Ų | 82.3 | 36% | 0.36 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -125.3 | -7.7 | -167.1 | -76.6 | -56.3 | 0 | 0 | 0 | 111.7 | V1027 N1031 P1032 H1037 L1040 | V1027-F1034 HydrophobicContact CG1-CD2 4.23Å; V1027-F1034 HydrophobicContact CG1-CE2 4.44Å; V1027-F1034 HydrophobicContact CG1-CG 4.46Å; V1027-F1034 WeakPolarHBondContact O-CB 3.35Å; N1031-F1034 HydrophobicContact CB-CD2 4.03Å; N1031-F1034 VanDerWaalsContact O-CB 3.24Å; N1031-F1034 WeakPolarHBondContact O-CB 3.45Å; N1031-F1034 PolarHBondContact O-N 3.24Å; N1031-F1034 VanDerWaalsContact O-N 3.1Å; P1032-F1034 PolarHBondContact O-N 2.86Å; P1032-F1034 VanDerWaalsContact O-N 3.08Å; F1034-H1037 WeakPolarHBondContact O-CB 3.4Å; F1034-L1040 HydrophobicContact CB-CD1 3.13Å; F1034-L1040 HydrophobicContact CD1-CD1 3.45Å; F1034-L1040 VanDerWaalsContact CD1-CD1 3.45Å; F1034-L1040 HydrophobicContact CG-CD1 3.56Å; F1034-L1040 WeakPolarHBondContact O-CB 3.45Å; F1034-L1040 WeakPolarHBondContact O-CD1 3.38Å |
| 1035 | G | 52.7 | Low | 61.4 | Low | 29 Ų | 29 | 80.5 Ų | 80.5 | 30% | 0.299 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -33.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 119 | H1037 Q1041 | G1035-H1037 PolarHBondContact O-N 2.81Å; G1035-Q1041 WeakPolarHBondContact O-CG 3.46Å; G1035-Q1041 PolarHBondContact O-NE2 2.93Å |
| 1036 | E | 57.3 | Low | 61 | Low | 188 Ų | 188 | 79.7 Ų | 79.7 | 88% | 0.879 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -80.9 | 2.6 | 167.2 | -66.1 | -162 | 160.9 | 0 | 0 | 112.1 | R1038 | E1036-R1038 PolarHBondContact O-N 3.14Š|
| 1037 | H | 60.8 | Low | 61.2 | Low | 88 Ų | 88 | 74.5 Ų | 74.5 | 41% | 0.407 | 39% | 0.394 | S | S | . | . | trans | -79.4 | 114.5 | -174.9 | -144.9 | -79.7 | 0 | 0 | 0 | 108.7 | F1034 G1035 N1039 L1040 Q1041 | F1034-H1037 WeakPolarHBondContact O-CB 3.4Å; G1035-H1037 PolarHBondContact O-N 2.81Å; H1037-N1039 PolarHBondContact O-N 3.16Å; H1037-L1040 PolarHBondContact O-N 3.32Å; H1037-Q1041 PolarHBondContact O-N 2.96Å; H1037-Q1041 VanDerWaalsContact O-N 3.12Å | ||
| 1038 | R | 65 | Low | 61.1 | Low | 135 Ų | 135 | 72.8 Ų | 72.8 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -40.7 | -42 | 174.8 | -176.8 | 177.3 | 171.1 | 167.8 | -0.9 | 112.3 | E1036 L1040 N1042 D1067 D1070 | E1036-R1038 PolarHBondContact O-N 3.14Å; R1038-L1040 PolarHBondContact O-N 3.39Å; R1038-N1042 VanDerWaalsContact O-CB 3.26Å; R1038-N1042 WeakPolarHBondContact O-CB 3.24Å; R1038-N1042 PolarHBondContact O-N 3.21Å; R1038-N1042 PolarHBondContact O-ND2 2.88Å; R1038-N1042 PolarHBondContact O-OD1 3.27Å; R1038-N1042 VanDerWaalsContact O-OD1 3.14Å; R1038-D1067 IonicContact CZ-OD2 2.67Å; R1038-D1067 IonicContact NH1-OD2 2.79Å; R1038-D1067 IonicContact NH2-OD2 3.78Å; R1038-D1067 PolarHBondContact NH2-OD2 3.27Å; R1038-D1070 IonicContact CZ-OD2 2.94Å; R1038-D1070 IonicContact NH2-OD2 3.01Å; R1038-D1070 PolarHBondContact NH2-OD2 2.67Å |
| 1039 | N | 65.9 | Low | 61.4 | Low | 98 Ų | 98 | 73.4 Ų | 73.4 | 52% | 0.524 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.8 | -32.3 | -177.3 | -66.4 | -7.3 | 0 | 0 | 0 | 115.3 | H1037 N1042 L1043 | H1037-N1039 PolarHBondContact O-N 3.16Å; N1039-N1042 WeakPolarHBondContact O-CB 3.49Å; N1039-L1043 WeakPolarHBondContact O-CB 3.44Å; N1039-L1043 PolarHBondContact O-N 2.85Å |
| 1040 | L | 64.7 | Low | 61.3 | Low | 23 Ų | 23 | 77.2 Ų | 77.2 | 12% | 0.12 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -96 | -27 | -175.1 | -61.3 | -179.7 | 0 | 0 | 0 | 110.3 | V1028 F1034 H1037 R1038 N1042 L1043 L1044 | V1028-L1040 HydrophobicContact CB-CB 4.03Å; V1028-L1040 HydrophobicContact CG1-CB 3.68Å; V1028-L1040 WeakPolarHBondContact CG1-O 3.39Å; V1028-L1040 HydrophobicContact CG2-CB 3.75Å; V1028-L1040 HydrophobicContact CG2-CD1 4.18Å; V1028-L1040 HydrophobicContact CG2-CD2 3.48Å; V1028-L1040 VanDerWaalsContact CG2-CD2 3.48Å; V1028-L1040 HydrophobicContact CG2-CG 3.97Å; F1034-L1040 HydrophobicContact CB-CD1 3.13Å; F1034-L1040 HydrophobicContact CD1-CD1 3.45Å; F1034-L1040 VanDerWaalsContact CD1-CD1 3.45Å; F1034-L1040 HydrophobicContact CG-CD1 3.56Å; F1034-L1040 WeakPolarHBondContact O-CB 3.45Å; F1034-L1040 WeakPolarHBondContact O-CD1 3.38Å; H1037-L1040 PolarHBondContact O-N 3.32Å; R1038-L1040 PolarHBondContact O-N 3.39Å; L1040-N1042 VanDerWaalsContact C-N 3.29Å; L1040-L1043 HydrophobicContact CD2-CB 4.26Å; L1040-L1043 HydrophobicContact CD2-CD1 4.22Å; L1040-L1043 PolarHBondContact O-N 2.87Å; L1040-L1044 WeakPolarHBondContact O-CB 3.24Å; L1040-L1044 PolarHBondContact O-N 2.98Å |
| 1041 | Q | 62.7 | Low | 62 | Low | 69 Ų | 69 | 75.1 Ų | 75.1 | 32% | 0.322 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 160.6 | -65 | -173.6 | 11.9 | 0 | 0 | 111.3 | G1035 H1037 I1045 | G1035-Q1041 WeakPolarHBondContact O-CG 3.46Å; G1035-Q1041 PolarHBondContact O-NE2 2.93Å; H1037-Q1041 PolarHBondContact O-N 2.96Å; H1037-Q1041 VanDerWaalsContact O-N 3.12Å; Q1041-I1045 WeakPolarHBondContact O-CB 3.43Å; Q1041-I1045 WeakPolarHBondContact O-CG1 3.41Å; Q1041-I1045 PolarHBondContact O-N 2.79Å |
| 1042 | N | 68.8 | Low | 62.6 | Low | 40 Ų | 40 | 74.2 Ų | 74.2 | 21% | 0.214 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.2 | -53.1 | 167.1 | -68.9 | -6.8 | 0 | 0 | 0 | 110.7 | R1038 N1039 L1040 L1044 I1045 L1046 | R1038-N1042 VanDerWaalsContact O-CB 3.26Å; R1038-N1042 WeakPolarHBondContact O-CB 3.24Å; R1038-N1042 PolarHBondContact O-N 3.21Å; R1038-N1042 PolarHBondContact O-ND2 2.88Å; R1038-N1042 PolarHBondContact O-OD1 3.27Å; R1038-N1042 VanDerWaalsContact O-OD1 3.14Å; N1039-N1042 WeakPolarHBondContact O-CB 3.49Å; L1040-N1042 VanDerWaalsContact C-N 3.29Å; N1042-L1044 PolarHBondContact O-N 3.13Å; N1042-L1044 VanDerWaalsContact O-N 3.17Å; N1042-I1045 PolarHBondContact O-N 2.91Å; N1042-L1046 HydrophobicContact CB-CD1 4.45Å; N1042-L1046 WeakPolarHBondContact O-CB 3.26Å; N1042-L1046 WeakPolarHBondContact O-CD1 3.46Å; N1042-L1046 WeakPolarHBondContact O-CG 3.35Å; N1042-L1046 PolarHBondContact O-N 2.61Å |
| 1043 | L | 69.9 | Low | 63.2 | Low | 57 Ų | 57 | 74.3 Ų | 74.3 | 30% | 0.298 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60 | -30.8 | -177 | -143.1 | 133.9 | 0 | 0 | 0 | 112.1 | L1024 V1028 N1039 L1040 T1047 | L1024-L1043 HydrophobicContact CB-CD2 4.38Å; L1024-L1043 HydrophobicContact CD1-CD2 4.01Å; L1024-L1043 HydrophobicContact CD2-CD2 4.04Å; L1024-L1043 HydrophobicContact CG-CD2 4.38Å; V1028-L1043 HydrophobicContact CG2-CB 4.45Å; V1028-L1043 HydrophobicContact CG2-CD2 4.36Å; N1039-L1043 WeakPolarHBondContact O-CB 3.44Å; N1039-L1043 PolarHBondContact O-N 2.85Å; L1040-L1043 HydrophobicContact CD2-CB 4.26Å; L1040-L1043 HydrophobicContact CD2-CD1 4.22Å; L1040-L1043 PolarHBondContact O-N 2.87Å; L1043-T1047 VanDerWaalsContact O-CB 3.32Å; L1043-T1047 WeakPolarHBondContact O-CB 3.31Å; L1043-T1047 PolarHBondContact O-N 2.82Å; L1043-T1047 PolarHBondContact O-OG1 3.48Å |
| 1044 | L | 67 | Low | 63.6 | Low | 55 Ų | 55 | 75 Ų | 75 | 29% | 0.288 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -75 | -49.9 | 173.4 | -175.6 | 69.1 | 0 | 0 | 0 | 112.9 | V1028 L1029 L1040 N1042 L1046 T1047 A1048 | V1028-L1044 HydrophobicContact CG1-CB 4.05Å; L1029-L1044 HydrophobicContact CD1-CD1 3.81Å; L1029-L1044 HydrophobicContact CD1-CD2 4.5Å; L1029-L1044 HydrophobicContact CD2-CD1 4.33Å; L1029-L1044 HydrophobicContact CD2-CD2 3.55Å; L1029-L1044 HydrophobicContact CG-CD1 4.08Å; L1029-L1044 HydrophobicContact CG-CD2 4.17Å; L1040-L1044 WeakPolarHBondContact O-CB 3.24Å; L1040-L1044 PolarHBondContact O-N 2.98Å; N1042-L1044 PolarHBondContact O-N 3.13Å; N1042-L1044 VanDerWaalsContact O-N 3.17Å; L1044-L1046 PolarHBondContact O-N 3.43Å; L1044-T1047 PolarHBondContact O-N 3.26Å; L1044-A1048 WeakPolarHBondContact O-CB 3.14Å; L1044-A1048 PolarHBondContact O-N 2.75Å |
| 1045 | I | 69.8 | Low | 64 | Low | 16 Ų | 16 | 77.2 Ų | 77.2 | 8% | 0.082 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -55.3 | -35.2 | 172.6 | -68.2 | 168.2 | 0 | 0 | 0 | 109.2 | Q1041 N1042 I1049 L1063 I1071 I1074 | Q1041-I1045 WeakPolarHBondContact O-CB 3.43Å; Q1041-I1045 WeakPolarHBondContact O-CG1 3.41Å; Q1041-I1045 PolarHBondContact O-N 2.79Å; N1042-I1045 PolarHBondContact O-N 2.91Å; I1045-I1049 HydrophobicContact CG2-CD1 3.73Å; I1045-I1049 WeakPolarHBondContact O-CB 3.43Å; I1045-I1049 WeakPolarHBondContact O-CD1 3.14Å; I1045-I1049 WeakPolarHBondContact O-CG1 3.26Å; I1045-I1049 PolarHBondContact O-N 3.5Å; I1045-L1063 HydrophobicContact CD1-CD1 3.83Å; I1045-L1063 HydrophobicContact CG1-CD1 4.38Å; I1045-I1071 HydrophobicContact CD1-CD1 3.64Å; I1045-I1074 HydrophobicContact CG2-CG2 4.17Å |
| 1046 | L | 57.5 | Low | 64.5 | Low | 86 Ų | 86 | 76 Ų | 76 | 45% | 0.45 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -74.8 | -48.1 | 178.3 | -71.5 | 169.9 | 0 | 0 | 0 | 113.7 | N1042 L1044 A1048 I1049 K1050 | N1042-L1046 HydrophobicContact CB-CD1 4.45Å; N1042-L1046 WeakPolarHBondContact O-CB 3.26Å; N1042-L1046 WeakPolarHBondContact O-CD1 3.46Å; N1042-L1046 WeakPolarHBondContact O-CG 3.35Å; N1042-L1046 PolarHBondContact O-N 2.61Å; L1044-L1046 PolarHBondContact O-N 3.43Å; L1046-A1048 PolarHBondContact O-N 3.4Å; L1046-I1049 CarbonylContact O-C 3.6Å; L1046-I1049 PolarHBondContact O-N 2.95Å; L1046-K1050 WeakPolarHBondContact O-CB 3.37Å; L1046-K1050 PolarHBondContact O-N 2.86Å |
| 1047 | T | 69.2 | Low | 64.9 | Low | 34 Ų | 34 | 70.3 Ų | 70.3 | 21% | 0.209 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67 | -31.7 | 178.9 | -45.6 | 0 | 0 | 0 | 0 | 109.6 | I1021 L1043 L1044 K1050 A1051 | I1021-T1047 HydrophobicContact CD1-CG2 4.31Å; I1021-T1047 HydrophobicContact CG1-CG2 4.25Å; L1043-T1047 VanDerWaalsContact O-CB 3.32Å; L1043-T1047 WeakPolarHBondContact O-CB 3.31Å; L1043-T1047 PolarHBondContact O-N 2.82Å; L1043-T1047 PolarHBondContact O-OG1 3.48Å; L1044-T1047 PolarHBondContact O-N 3.26Å; T1047-K1050 CarbonylContact O-C 3.56Å; T1047-K1050 WeakPolarHBondContact O-CA 3.5Å; T1047-K1050 PolarHBondContact O-N 3.11Å; T1047-A1051 WeakPolarHBondContact O-CB 3.39Å; T1047-A1051 PolarHBondContact O-N 3.04Å |
| 1048 | A | 61.4 | Low | 65.1 | Low | 16 Ų | 16 | 70.2 Ų | 70.2 | 13% | 0.132 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69.6 | -42.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1044 L1046 K1050 D1052 Y1059 | L1044-A1048 WeakPolarHBondContact O-CB 3.14Å; L1044-A1048 PolarHBondContact O-N 2.75Å; L1046-A1048 PolarHBondContact O-N 3.4Å; A1048-K1050 PolarHBondContact O-N 3.35Å; A1048-K1050 VanDerWaalsContact O-N 3.09Å; A1048-D1052 CarbonylContact O-C 3.54Å; A1048-D1052 WeakPolarHBondContact O-CA 3Å; A1048-D1052 PolarHBondContact O-N 2.79Å; A1048-Y1059 HydrophobicContact CB-CE2 4.11Å |
| 1049 | I | 66.8 | Low | 65.2 | Low | 23 Ų | 23 | 66.9 Ų | 66.9 | 12% | 0.118 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.2 | -16.5 | 167.3 | -70.7 | 163.4 | 0 | 0 | 0 | 111.6 | I1045 L1046 H1053 V1056 I1074 S1078 | I1045-I1049 HydrophobicContact CG2-CD1 3.73Å; I1045-I1049 WeakPolarHBondContact O-CB 3.43Å; I1045-I1049 WeakPolarHBondContact O-CD1 3.14Å; I1045-I1049 WeakPolarHBondContact O-CG1 3.26Å; I1045-I1049 PolarHBondContact O-N 3.5Å; L1046-I1049 CarbonylContact O-C 3.6Å; L1046-I1049 PolarHBondContact O-N 2.95Å; I1049-H1053 PolarHBondContact O-CD2 3.31Å; I1049-H1053 PolarHBondContact O-NE2 2.75Å; I1049-V1056 HydrophobicContact CG1-CG2 3.79Å; I1049-I1074 HydrophobicContact CD1-CB 4.47Å; I1049-I1074 HydrophobicContact CD1-CG2 2.96Å; I1049-I1074 HydrophobicContact CG1-CG2 4.44Å; I1049-S1078 WeakPolarHBondContact CD1-OG 3.43Å; I1049-S1078 WeakPolarHBondContact CG1-OG 3.2Å; I1049-S1078 WeakPolarHBondContact CG2-OG 3.5Å |
| 1050 | K | 57.6 | Low | 65.3 | Low | 185 Ų | 185 | 63 Ų | 63 | 80% | 0.804 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -103.7 | -27.5 | -178.1 | -157.8 | 173 | -177.2 | -175.3 | 0 | 115.2 | L1046 T1047 A1048 | L1046-K1050 WeakPolarHBondContact O-CB 3.37Å; L1046-K1050 PolarHBondContact O-N 2.86Å; T1047-K1050 CarbonylContact O-C 3.56Å; T1047-K1050 WeakPolarHBondContact O-CA 3.5Å; T1047-K1050 PolarHBondContact O-N 3.11Å; A1048-K1050 PolarHBondContact O-N 3.35Å; A1048-K1050 VanDerWaalsContact O-N 3.09Å |
| 1051 | A | 66.8 | Low | 65.5 | Low | 77 Ų | 77 | 68.7 Ų | 68.7 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -110.9 | -23.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1047 | T1047-A1051 WeakPolarHBondContact O-CB 3.39Å; T1047-A1051 PolarHBondContact O-N 3.04Å |
| 1052 | D | 64.5 | Low | 65.5 | Low | 57 Ų | 57 | 73.8 Ų | 73.8 | 31% | 0.305 | 37% | 0.366 | S | S | . | . | trans | -160.2 | 89.7 | -176 | -173 | 4.3 | 0 | 0 | 0 | 114.9 | A1048 S1054 R1055 | A1048-D1052 CarbonylContact O-C 3.54Å; A1048-D1052 WeakPolarHBondContact O-CA 3Å; A1048-D1052 PolarHBondContact O-N 2.79Å; D1052-S1054 VanDerWaalsContact C-N 3.29Å; D1052-S1054 PolarHBondContact O-N 3.07Å; D1052-S1054 PolarHBondContact OD1-N 2.86Å; D1052-S1054 PolarHBondContact OD1-OG 2.73Å; D1052-R1055 IonicContact OD2-CZ 3.44Å; D1052-R1055 IonicContact OD2-NE 2.64Å; D1052-R1055 PolarHBondContact OD2-NE 2.83Å; D1052-R1055 IonicContact OD2-NH2 3.42Å; D1052-R1055 PolarHBondContact OD2-NH2 2.72Å | ||
| 1053 | H | 62.7 | Low | 65.4 | Low | 119 Ų | 119 | 74.7 Ų | 74.7 | 55% | 0.551 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -66.5 | -17.4 | -175.7 | -65.4 | -171.3 | 0 | 0 | 0 | 115.8 | I1049 R1055 V1056 | I1049-H1053 PolarHBondContact O-CD2 3.31Å; I1049-H1053 PolarHBondContact O-NE2 2.75Å; H1053-R1055 PolarHBondContact O-N 3.25Å; H1053-R1055 VanDerWaalsContact O-N 3.15Å; H1053-V1056 WeakPolarHBondContact O-CG2 3.37Å; H1053-V1056 PolarHBondContact O-N 3.14Å |
| 1054 | S | 68.8 | Low | 65.1 | Low | 98 Ų | 98 | 78.9 Ų | 78.9 | 69% | 0.685 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -65.8 | -19.9 | -169.2 | 64.2 | 0 | 0 | 0 | 0 | 114.3 | D1052 | D1052-S1054 VanDerWaalsContact C-N 3.29Å; D1052-S1054 PolarHBondContact O-N 3.07Å; D1052-S1054 PolarHBondContact OD1-N 2.86Å; D1052-S1054 PolarHBondContact OD1-OG 2.73Å |
| 1055 | R | 64 | Low | 65.1 | Low | 128 Ų | 128 | 84 Ų | 84 | 48% | 0.483 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -94.5 | -2.1 | -171.9 | -55.3 | -177.8 | -171.4 | -164.4 | -5.2 | 114.3 | D1052 H1053 E1058 Y1059 | D1052-R1055 IonicContact OD2-CZ 3.44Å; D1052-R1055 IonicContact OD2-NE 2.64Å; D1052-R1055 PolarHBondContact OD2-NE 2.83Å; D1052-R1055 IonicContact OD2-NH2 3.42Å; D1052-R1055 PolarHBondContact OD2-NH2 2.72Å; H1053-R1055 PolarHBondContact O-N 3.25Å; H1053-R1055 VanDerWaalsContact O-N 3.15Å; R1055-E1058 WeakPolarHBondContact O-CB 3.25Å; R1055-E1058 PolarHBondContact O-N 2.76Å; R1055-Y1059 HydrophobicContact CB-CD2 4.17Å; R1055-Y1059 HydrophobicContact CB-CE1 4.38Å; R1055-Y1059 HydrophobicContact CB-CE2 3.44Å; R1055-Y1059 VanDerWaalsContact CB-CE2 3.44Å; R1055-Y1059 VanDerWaalsContact CD-OH 3.29Å; R1055-Y1059 WeakPolarHBondContact CD-OH 3.28Å; R1055-Y1059 WeakPolarHBondContact O-CD2 3.47Å; R1055-Y1059 VanDerWaalsContact O-CG 3.25Å; R1055-Y1059 PolarHBondContact O-N 2.77Å; R1055-Y1059 VanDerWaalsContact O-N 3.09Å |
| 1056 | V | 64.3 | Low | 64.9 | Low | 4 Ų | 4 | 85.6 Ų | 85.6 | 2% | 0.024 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -75.3 | -46.6 | -165.3 | 179.7 | 0 | 0 | 0 | 0 | 114.1 | I1049 H1053 E1058 Y1059 I1060 L1080 | I1049-V1056 HydrophobicContact CG1-CG2 3.79Å; H1053-V1056 WeakPolarHBondContact O-CG2 3.37Å; H1053-V1056 PolarHBondContact O-N 3.14Å; V1056-E1058 PolarHBondContact O-N 2.75Å; V1056-Y1059 PolarHBondContact O-N 3.15Å; V1056-Y1059 VanDerWaalsContact O-N 3.09Å; V1056-I1060 HydrophobicContact CG1-CD1 3.84Å; V1056-I1060 HydrophobicContact CG1-CG1 4.39Å; V1056-I1060 VanDerWaalsContact O-CG1 3.3Å; V1056-I1060 WeakPolarHBondContact O-CG1 3.25Å; V1056-I1060 PolarHBondContact O-N 3.4Å; V1056-L1080 HydrophobicContact CB-CD1 3.73Å; V1056-L1080 HydrophobicContact CG1-CD1 3.39Å |
| 1057 | M | 63.8 | Low | 65.5 | Low | 68 Ų | 68 | 83.9 Ų | 83.9 | 34% | 0.335 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.6 | -28.7 | 175.7 | 177.8 | 55.1 | 146.3 | 0 | 0 | 111.8 | Q1061 E1083 | M1057-Q1061 WeakPolarHBondContact O-CB 3.43Å; M1057-Q1061 WeakPolarHBondContact O-CG 3.3Å; M1057-Q1061 PolarHBondContact O-N 3.25Å; M1057-Q1061 VanDerWaalsContact O-N 3.09Å; M1057-Q1061 HydrophobicContact SD-CG 4.16Å; M1057-Q1061 PolarHBondContact SD-NE2 3.26Å; M1057-E1083 HydrophobicContact CE-CB 4.5Å; M1057-E1083 HydrophobicContact CE-CG 3.34Å; M1057-E1083 HydrophobicContact CG-CG 4.28Å; M1057-E1083 HydrophobicContact SD-CB 4.27Å; M1057-E1083 HydrophobicContact SD-CG 3.21Å; M1057-E1083 WeakPolarHBondContact SD-CG 3.24Å |
| 1058 | E | 65.2 | Low | 65.1 | Low | 87 Ų | 87 | 84 Ų | 84 | 41% | 0.407 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.7 | -44.1 | 171.4 | -170.8 | -177.3 | 170.6 | 0 | 0 | 111.7 | R1055 V1056 I1060 Q1061 R1062 | R1055-E1058 WeakPolarHBondContact O-CB 3.25Å; R1055-E1058 PolarHBondContact O-N 2.76Å; V1056-E1058 PolarHBondContact O-N 2.75Å; E1058-I1060 VanDerWaalsContact C-N 3.35Å; E1058-I1060 PolarHBondContact O-N 2.93Å; E1058-Q1061 PolarHBondContact O-N 2.94Å; E1058-R1062 VanDerWaalsContact O-CB 3.25Å; E1058-R1062 WeakPolarHBondContact O-CB 3.47Å; E1058-R1062 WeakPolarHBondContact O-CG 3.33Å; E1058-R1062 PolarHBondContact O-N 3.49Å; E1058-R1062 VanDerWaalsContact O-N 3.07Å; E1058-R1062 IonicContact OE1-CZ 2.62Å; E1058-R1062 IonicContact OE1-NE 2.98Å; E1058-R1062 IonicContact OE1-NH1 3.33Å; E1058-R1062 PolarHBondContact OE1-NH1 2.73Å; E1058-R1062 IonicContact OE1-NH2 2.71Å; E1058-R1062 PolarHBondContact OE1-NH2 2.83Å |
| 1059 | Y | 68.2 | Low | 65.3 | Low | 65 Ų | 65 | 87.5 Ų | 87.5 | 26% | 0.255 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.1 | -37.3 | 172.6 | -59.8 | -37.4 | 0 | 0 | 0 | 112.5 | A1048 R1055 V1056 R1062 L1063 | A1048-Y1059 HydrophobicContact CB-CE2 4.11Å; R1055-Y1059 HydrophobicContact CB-CD2 4.17Å; R1055-Y1059 HydrophobicContact CB-CE1 4.38Å; R1055-Y1059 HydrophobicContact CB-CE2 3.44Å; R1055-Y1059 VanDerWaalsContact CB-CE2 3.44Å; R1055-Y1059 VanDerWaalsContact CD-OH 3.29Å; R1055-Y1059 WeakPolarHBondContact CD-OH 3.28Å; R1055-Y1059 WeakPolarHBondContact O-CD2 3.47Å; R1055-Y1059 VanDerWaalsContact O-CG 3.25Å; R1055-Y1059 PolarHBondContact O-N 2.77Å; R1055-Y1059 VanDerWaalsContact O-N 3.09Å; V1056-Y1059 PolarHBondContact O-N 3.15Å; V1056-Y1059 VanDerWaalsContact O-N 3.09Å; Y1059-R1062 PolarHBondContact O-N 2.96Å; Y1059-L1063 WeakPolarHBondContact O-CB 3.31Å; Y1059-L1063 WeakPolarHBondContact O-CG 3.47Å; Y1059-L1063 PolarHBondContact O-N 2.8Å |
| 1060 | I | 67.9 | Low | 65.2 | Low | 17 Ų | 17 | 89.4 Ų | 89.4 | 9% | 0.087 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -70 | -35.8 | 179 | -66.3 | 166.1 | 0 | 0 | 0 | 112.6 | V1056 E1058 Y1066 I1071 A1075 L1080 I1087 | V1056-I1060 HydrophobicContact CG1-CD1 3.84Å; V1056-I1060 HydrophobicContact CG1-CG1 4.39Å; V1056-I1060 VanDerWaalsContact O-CG1 3.3Å; V1056-I1060 WeakPolarHBondContact O-CG1 3.25Å; V1056-I1060 PolarHBondContact O-N 3.4Å; E1058-I1060 VanDerWaalsContact C-N 3.35Å; E1058-I1060 PolarHBondContact O-N 2.93Å; I1060-Y1066 PolarHBondContact O-OH 3.21Å; I1060-I1071 HydrophobicContact CD1-CG2 4.48Å; I1060-I1071 HydrophobicContact CG1-CG2 3.8Å; I1060-A1075 HydrophobicContact CD1-CB 3.65Å; I1060-L1080 HydrophobicContact CD1-CD1 4.26Å; I1060-I1087 HydrophobicContact CG2-CD1 4.13Å |
| 1061 | Q | 68.9 | Low | 65.9 | Low | 141 Ų | 141 | 80.9 Ų | 80.9 | 66% | 0.659 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -79.9 | -18.7 | 174.2 | -69 | 177 | 11.9 | 0 | 0 | 113.6 | M1057 E1058 | M1057-Q1061 WeakPolarHBondContact O-CB 3.43Å; M1057-Q1061 WeakPolarHBondContact O-CG 3.3Å; M1057-Q1061 PolarHBondContact O-N 3.25Å; M1057-Q1061 VanDerWaalsContact O-N 3.09Å; M1057-Q1061 HydrophobicContact SD-CG 4.16Å; M1057-Q1061 PolarHBondContact SD-NE2 3.26Å; E1058-Q1061 PolarHBondContact O-N 2.94Å |
| 1062 | R | 63.3 | Low | 65.7 | Low | 176 Ų | 176 | 77.2 Ų | 77.2 | 66% | 0.664 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -103.6 | -33.5 | -174.7 | -85.2 | -168.2 | 171.5 | 154 | 12.2 | 116.8 | E1058 Y1059 | E1058-R1062 VanDerWaalsContact O-CB 3.25Å; E1058-R1062 WeakPolarHBondContact O-CB 3.47Å; E1058-R1062 WeakPolarHBondContact O-CG 3.33Å; E1058-R1062 PolarHBondContact O-N 3.49Å; E1058-R1062 VanDerWaalsContact O-N 3.07Å; E1058-R1062 IonicContact OE1-CZ 2.62Å; E1058-R1062 IonicContact OE1-NE 2.98Å; E1058-R1062 IonicContact OE1-NH1 3.33Å; E1058-R1062 PolarHBondContact OE1-NH1 2.73Å; E1058-R1062 IonicContact OE1-NH2 2.71Å; E1058-R1062 PolarHBondContact OE1-NH2 2.83Å; Y1059-R1062 PolarHBondContact O-N 2.96Å |
| 1063 | L | 65.9 | Low | 65.7 | Low | 60 Ų | 60 | 76.1 Ų | 76.1 | 31% | 0.314 | 39% | 0.389 | S | S | . | . | trans | -86.3 | 146.9 | 179.1 | -61.1 | 169.4 | 0 | 0 | 0 | 107.8 | I1045 Y1059 Y1066 | I1045-L1063 HydrophobicContact CD1-CD1 3.83Å; I1045-L1063 HydrophobicContact CG1-CD1 4.38Å; Y1059-L1063 WeakPolarHBondContact O-CB 3.31Å; Y1059-L1063 WeakPolarHBondContact O-CG 3.47Å; Y1059-L1063 PolarHBondContact O-N 2.8Å; L1063-Y1066 VanDerWaalsContact C-CD1 3.5Å; L1063-Y1066 HydrophobicContact CB-CD1 3.5Å; L1063-Y1066 HydrophobicContact CB-CE1 3.96Å; L1063-Y1066 WeakPolarHBondContact O-CD1 3.19Å; L1063-Y1066 WeakPolarHBondContact O-CE1 3.28Å | ||
| 1064 | D | 63.6 | Low | 65.8 | Low | 145 Ų | 145 | 71.8 Ų | 71.8 | 78% | 0.775 | 37% | 0.37 | S | S | * | . | trans | -126.5 | -24.2 | -179.9 | -67.6 | -46.4 | 0 | 0 | 0 | 112.6 | Y1066 | D1064-Y1066 VanDerWaalsContact C-N 3.29Å; D1064-Y1066 PolarHBondContact O-N 2.87Å | ||
| 1065 | N | 67.2 | Low | 65.6 | Low | 162 Ų | 162 | 67.1 Ų | 67.1 | 87% | 0.866 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -96.2 | 24.1 | -178.7 | -78.8 | -15.3 | 0 | 0 | 0 | 113.4 | ||
| 1066 | Y | 66.2 | Low | 65.5 | Low | 50 Ų | 50 | 63 Ų | 63 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -86.9 | 156.2 | 168.9 | 63.5 | -109.6 | 0 | 0 | 0 | 110 | I1060 L1063 D1064 A1068 I1071 | I1060-Y1066 PolarHBondContact O-OH 3.21Å; L1063-Y1066 VanDerWaalsContact C-CD1 3.5Å; L1063-Y1066 HydrophobicContact CB-CD1 3.5Å; L1063-Y1066 HydrophobicContact CB-CE1 3.96Å; L1063-Y1066 WeakPolarHBondContact O-CD1 3.19Å; L1063-Y1066 WeakPolarHBondContact O-CE1 3.28Å; D1064-Y1066 VanDerWaalsContact C-N 3.29Å; D1064-Y1066 PolarHBondContact O-N 2.87Å; Y1066-A1068 HydrophobicContact CE2-CB 4.35Å; Y1066-A1068 PolarHBondContact O-N 3.17Å; Y1066-A1068 VanDerWaalsContact O-N 3.09Å; Y1066-I1071 HydrophobicContact CD1-CD1 3.78Å; Y1066-I1071 HydrophobicContact CD2-CB 3.3Å; Y1066-I1071 HydrophobicContact CD2-CD1 3.52Å; Y1066-I1071 HydrophobicContact CD2-CG1 3.33Å; Y1066-I1071 HydrophobicContact CD2-CG2 3.84Å; Y1066-I1071 HydrophobicContact CE1-CD1 4.4Å; Y1066-I1071 HydrophobicContact CE2-CB 3.53Å; Y1066-I1071 HydrophobicContact CE2-CD1 4.25Å; Y1066-I1071 HydrophobicContact CE2-CG1 4.08Å; Y1066-I1071 HydrophobicContact CE2-CG2 3.64Å; Y1066-I1071 HydrophobicContact CG-CB 4.05Å; Y1066-I1071 HydrophobicContact CG-CD1 3.24Å; Y1066-I1071 HydrophobicContact CG-CG1 3.61Å; Y1066-I1071 HydrophobicContact CG-CG2 4.42Å |
| 1067 | D | 70.2 | Confident | 65.1 | Low | 49 Ų | 49 | 66.4 Ų | 66.4 | 26% | 0.262 | 35% | 0.348 | S | S | . | . | trans | -71.3 | 108.3 | 174.4 | -178.4 | -34.1 | 0 | 0 | 0 | 108.1 | R1038 P1069 D1070 I1071 | R1038-D1067 IonicContact CZ-OD2 2.67Å; R1038-D1067 IonicContact NH1-OD2 2.79Å; R1038-D1067 IonicContact NH2-OD2 3.78Å; R1038-D1067 PolarHBondContact NH2-OD2 3.27Å; D1067-P1069 WeakPolarHBondContact OD1-CB 3.3Å; D1067-P1069 WeakPolarHBondContact OD1-CD 3.38Å; D1067-P1069 WeakPolarHBondContact OD1-CG 3.47Å; D1067-D1070 HydrophobicContact CB-CB 3.64Å; D1067-D1070 VanDerWaalsContact CB-OD2 3.22Å; D1067-D1070 WeakPolarHBondContact CB-OD2 3.34Å; D1067-D1070 VanDerWaalsContact CG-OD2 3.23Å; D1067-D1070 CarbonylContact O-C 3.53Å; D1067-D1070 WeakPolarHBondContact O-CA 3.49Å; D1067-D1070 PolarHBondContact O-N 3.11Å; D1067-D1070 PolarHBondContact OD1-N 2.99Å; D1067-I1071 PolarHBondContact O-N 3.44Å | ||
| 1068 | A | 60.2 | Low | 65.1 | Low | 36 Ų | 36 | 63.9 Ų | 63.9 | 30% | 0.298 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y1066 A1072 | Y1066-A1068 HydrophobicContact CE2-CB 4.35Å; Y1066-A1068 PolarHBondContact O-N 3.17Å; Y1066-A1068 VanDerWaalsContact O-N 3.09Å; A1068-A1072 WeakPolarHBondContact O-CB 3.5Å; A1068-A1072 PolarHBondContact O-N 3.1Å |
| 1069 | P | 65.3 | Low | 65.4 | Low | 91 Ų | 91 | 66.6 Ų | 66.6 | 59% | 0.591 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -55.3 | -47.8 | 161.6 | -24.9 | 28.6 | 0 | 0 | 0 | 114.3 | D1067 G1073 | D1067-P1069 WeakPolarHBondContact OD1-CB 3.3Å; D1067-P1069 WeakPolarHBondContact OD1-CD 3.38Å; D1067-P1069 WeakPolarHBondContact OD1-CG 3.47Å; P1069-G1073 PolarHBondContact O-N 3.39Å |
| 1070 | D | 64.3 | Low | 65.5 | Low | 62 Ų | 62 | 65.3 Ų | 65.3 | 33% | 0.332 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.3 | -44.2 | -178 | -68.6 | -17.4 | 0 | 0 | 0 | 111.5 | R1038 D1067 G1073 I1074 | R1038-D1070 IonicContact CZ-OD2 2.94Å; R1038-D1070 IonicContact NH2-OD2 3.01Å; R1038-D1070 PolarHBondContact NH2-OD2 2.67Å; D1067-D1070 HydrophobicContact CB-CB 3.64Å; D1067-D1070 VanDerWaalsContact CB-OD2 3.22Å; D1067-D1070 WeakPolarHBondContact CB-OD2 3.34Å; D1067-D1070 VanDerWaalsContact CG-OD2 3.23Å; D1067-D1070 CarbonylContact O-C 3.53Å; D1067-D1070 WeakPolarHBondContact O-CA 3.49Å; D1067-D1070 PolarHBondContact O-N 3.11Å; D1067-D1070 PolarHBondContact OD1-N 2.99Å; D1070-G1073 CarbonylContact O-C 3.56Å; D1070-G1073 WeakPolarHBondContact O-CA 3.22Å; D1070-G1073 PolarHBondContact O-N 3.18Å; D1070-I1074 WeakPolarHBondContact O-CB 3.45Å; D1070-I1074 WeakPolarHBondContact O-CD1 3.38Å; D1070-I1074 WeakPolarHBondContact O-CG1 3.41Å; D1070-I1074 PolarHBondContact O-N 3.39Å |
| 1071 | I | 72.1 | Confident | 65.5 | Low | 6 Ų | 6 | 68.2 Ų | 68.2 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -77.7 | -35.5 | -177.7 | -66 | -142 | 0 | 0 | 0 | 111.9 | I1045 I1060 Y1066 D1067 G1073 I1074 A1075 | I1045-I1071 HydrophobicContact CD1-CD1 3.64Å; I1060-I1071 HydrophobicContact CD1-CG2 4.48Å; I1060-I1071 HydrophobicContact CG1-CG2 3.8Å; Y1066-I1071 HydrophobicContact CD1-CD1 3.78Å; Y1066-I1071 HydrophobicContact CD2-CB 3.3Å; Y1066-I1071 HydrophobicContact CD2-CD1 3.52Å; Y1066-I1071 HydrophobicContact CD2-CG1 3.33Å; Y1066-I1071 HydrophobicContact CD2-CG2 3.84Å; Y1066-I1071 HydrophobicContact CE1-CD1 4.4Å; Y1066-I1071 HydrophobicContact CE2-CB 3.53Å; Y1066-I1071 HydrophobicContact CE2-CD1 4.25Å; Y1066-I1071 HydrophobicContact CE2-CG1 4.08Å; Y1066-I1071 HydrophobicContact CE2-CG2 3.64Å; Y1066-I1071 HydrophobicContact CG-CB 4.05Å; Y1066-I1071 HydrophobicContact CG-CD1 3.24Å; Y1066-I1071 HydrophobicContact CG-CG1 3.61Å; Y1066-I1071 HydrophobicContact CG-CG2 4.42Å; D1067-I1071 PolarHBondContact O-N 3.44Å; I1071-G1073 PolarHBondContact O-N 3.13Å; I1071-I1074 CarbonylContact O-C 3.47Å; I1071-I1074 PolarHBondContact O-N 3.32Å; I1071-I1074 VanDerWaalsContact O-N 3.17Å; I1071-A1075 VanDerWaalsContact O-CB 3.23Å; I1071-A1075 WeakPolarHBondContact O-CB 3.34Å; I1071-A1075 PolarHBondContact O-N 2.97Å |
| 1072 | A | 63.2 | Low | 65.6 | Low | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.1 | -39 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A1068 A1075 I1076 I1087 F1088 | A1068-A1072 WeakPolarHBondContact O-CB 3.5Å; A1068-A1072 PolarHBondContact O-N 3.1Å; A1072-A1075 PolarHBondContact O-N 3.45Å; A1072-I1076 WeakPolarHBondContact O-CB 3.3Å; A1072-I1076 VanDerWaalsContact O-CD1 3.3Å; A1072-I1076 WeakPolarHBondContact O-CD1 3.38Å; A1072-I1076 WeakPolarHBondContact O-CG1 3.15Å; A1072-I1076 PolarHBondContact O-N 3.33Å; A1072-I1087 HydrophobicContact CB-CD1 4.2Å; A1072-I1087 HydrophobicContact CB-CG2 4.11Å; A1072-F1088 HydrophobicContact CB-CE1 4.35Å; A1072-F1088 HydrophobicContact CB-CE2 3.79Å; A1072-F1088 HydrophobicContact CB-CZ 3.63Å |
| 1073 | G | 64.3 | Low | 66 | Low | 34 Ų | 34 | 61 Ų | 61 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P1069 D1070 I1071 I1076 S1077 | P1069-G1073 PolarHBondContact O-N 3.39Å; D1070-G1073 CarbonylContact O-C 3.56Å; D1070-G1073 WeakPolarHBondContact O-CA 3.22Å; D1070-G1073 PolarHBondContact O-N 3.18Å; I1071-G1073 PolarHBondContact O-N 3.13Å; G1073-I1076 WeakPolarHBondContact O-CB 3.34Å; G1073-I1076 PolarHBondContact O-N 2.97Å; G1073-S1077 PolarHBondContact O-N 3.09Å |
| 1074 | I | 66.1 | Low | 66.1 | Low | 29 Ų | 29 | 58.1 Ų | 58.1 | 15% | 0.149 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -77.3 | -33.9 | 179.6 | -70.2 | 165.1 | 0 | 0 | 0 | 111.1 | I1045 I1049 D1070 I1071 I1076 S1077 S1078 | I1045-I1074 HydrophobicContact CG2-CG2 4.17Å; I1049-I1074 HydrophobicContact CD1-CB 4.47Å; I1049-I1074 HydrophobicContact CD1-CG2 2.96Å; I1049-I1074 HydrophobicContact CG1-CG2 4.44Å; D1070-I1074 WeakPolarHBondContact O-CB 3.45Å; D1070-I1074 WeakPolarHBondContact O-CD1 3.38Å; D1070-I1074 WeakPolarHBondContact O-CG1 3.41Å; D1070-I1074 PolarHBondContact O-N 3.39Å; I1071-I1074 CarbonylContact O-C 3.47Å; I1071-I1074 PolarHBondContact O-N 3.32Å; I1071-I1074 VanDerWaalsContact O-N 3.17Å; I1074-I1076 VanDerWaalsContact C-N 3.33Å; I1074-S1077 WeakPolarHBondContact CA-OG 3.34Å; I1074-S1077 CarbonylContact O-C 3.59Å; I1074-S1077 WeakPolarHBondContact O-CA 3.45Å; I1074-S1077 WeakPolarHBondContact O-CB 3.31Å; I1074-S1077 PolarHBondContact O-N 3.26Å; I1074-S1077 PolarHBondContact O-OG 3.37Å; I1074-S1078 PolarHBondContact O-N 3.37Å; I1074-S1078 PolarHBondContact O-OG 2.92Å |
| 1075 | A | 63.6 | Low | 66.4 | Low | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | I1060 I1071 A1072 S1077 S1078 Q1079 L1080 | I1060-A1075 HydrophobicContact CD1-CB 3.65Å; I1071-A1075 VanDerWaalsContact O-CB 3.23Å; I1071-A1075 WeakPolarHBondContact O-CB 3.34Å; I1071-A1075 PolarHBondContact O-N 2.97Å; A1072-A1075 PolarHBondContact O-N 3.45Å; A1075-S1077 VanDerWaalsContact C-N 3.27Å; A1075-S1077 PolarHBondContact O-N 3.21Å; A1075-S1078 CarbonylContact O-C 3.53Å; A1075-S1078 PolarHBondContact O-N 2.88Å; A1075-S1078 VanDerWaalsContact O-N 3.13Å; A1075-Q1079 PolarHBondContact O-N 2.62Å; A1075-L1080 HydrophobicContact CB-CB 4.22Å; A1075-L1080 WeakPolarHBondContact O-CB 3Å; A1075-L1080 PolarHBondContact O-N 2.94Å |
| 1076 | I | 62.6 | Low | 66.7 | Low | 40 Ų | 40 | 47.8 Ų | 47.8 | 21% | 0.205 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.3 | -40.9 | 168.1 | -73.4 | 163.7 | 0 | 0 | 0 | 111.1 | A1072 G1073 I1074 S1078 Q1079 Y1081 A1084 F1088 H1104 | A1072-I1076 WeakPolarHBondContact O-CB 3.3Å; A1072-I1076 VanDerWaalsContact O-CD1 3.3Å; A1072-I1076 WeakPolarHBondContact O-CD1 3.38Å; A1072-I1076 WeakPolarHBondContact O-CG1 3.15Å; A1072-I1076 PolarHBondContact O-N 3.33Å; G1073-I1076 WeakPolarHBondContact O-CB 3.34Å; G1073-I1076 PolarHBondContact O-N 2.97Å; I1074-I1076 VanDerWaalsContact C-N 3.33Å; I1076-S1078 VanDerWaalsContact C-N 3.3Å; I1076-S1078 PolarHBondContact O-N 3.4Å; I1076-Q1079 PolarHBondContact O-N 3.07Å; I1076-Y1081 WeakPolarHBondContact O-CE1 3.45Å; I1076-A1084 HydrophobicContact CD1-CB 4.06Å; I1076-A1084 HydrophobicContact CG1-CB 3.59Å; I1076-F1088 HydrophobicContact CD1-CE2 4Å; I1076-H1104 WeakPolarHBondContact CD1-NE2 3.41Å; I1076-H1104 VanDerWaalsContact CG1-NE2 3.31Å; I1076-H1104 WeakPolarHBondContact CG1-NE2 3.29Å; I1076-H1104 WeakPolarHBondContact CG2-CE1 3.45Å; I1076-H1104 WeakPolarHBondContact CG2-NE2 3.47Å |
| 1077 | S | 55 | Low | 67 | Low | 77 Ų | 77 | 46.6 Ų | 46.6 | 54% | 0.538 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.3 | -26.7 | 178.1 | 81.7 | 0 | 0 | 0 | 0 | 113.7 | G1073 I1074 A1075 Q1079 | G1073-S1077 PolarHBondContact O-N 3.09Å; I1074-S1077 WeakPolarHBondContact CA-OG 3.34Å; I1074-S1077 CarbonylContact O-C 3.59Å; I1074-S1077 WeakPolarHBondContact O-CA 3.45Å; I1074-S1077 WeakPolarHBondContact O-CB 3.31Å; I1074-S1077 PolarHBondContact O-N 3.26Å; I1074-S1077 PolarHBondContact O-OG 3.37Å; A1075-S1077 VanDerWaalsContact C-N 3.27Å; A1075-S1077 PolarHBondContact O-N 3.21Å; S1077-Q1079 VanDerWaalsContact C-N 3.26Å; S1077-Q1079 PolarHBondContact O-N 2.96Å |
| 1078 | S | 65.1 | Low | 67.2 | Low | 14 Ų | 14 | 46.1 Ų | 46.1 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 8.5 | 179.3 | -48.2 | 0 | 0 | 0 | 0 | 112.4 | I1049 I1074 A1075 I1076 L1080 | I1049-S1078 WeakPolarHBondContact CD1-OG 3.43Å; I1049-S1078 WeakPolarHBondContact CG1-OG 3.2Å; I1049-S1078 WeakPolarHBondContact CG2-OG 3.5Å; I1074-S1078 PolarHBondContact O-N 3.37Å; I1074-S1078 PolarHBondContact O-OG 2.92Å; A1075-S1078 CarbonylContact O-C 3.53Å; A1075-S1078 PolarHBondContact O-N 2.88Å; A1075-S1078 VanDerWaalsContact O-N 3.13Å; I1076-S1078 VanDerWaalsContact C-N 3.3Å; I1076-S1078 PolarHBondContact O-N 3.4Å; S1078-L1080 VanDerWaalsContact C-N 3.33Å; S1078-L1080 PolarHBondContact O-N 3.29Å |
| 1079 | Q | 70.6 | Confident | 67.4 | Low | 145 Ų | 145 | 51 Ų | 51 | 68% | 0.678 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 29.8 | -175.8 | -48.2 | -169.1 | -20.9 | 0 | 0 | 115.1 | A1075 I1076 S1077 Y1081 | A1075-Q1079 PolarHBondContact O-N 2.62Å; I1076-Q1079 PolarHBondContact O-N 3.07Å; S1077-Q1079 VanDerWaalsContact C-N 3.26Å; S1077-Q1079 PolarHBondContact O-N 2.96Å; Q1079-Y1081 HydrophobicContact CB-CE2 3.88Å; Q1079-Y1081 HydrophobicContact CG-CE2 4.48Å; Q1079-Y1081 WeakPolarHBondContact CG-OH 3.48Å |
| 1080 | L | 69.6 | Low | 67.6 | Low | 37 Ų | 37 | 55 Ų | 55 | 19% | 0.194 | 28% | 0.283 | C | S | . | . | trans | -100.1 | 74.1 | 177 | -65.3 | 170 | 0 | 0 | 0 | 110.2 | V1056 I1060 A1075 S1078 E1083 A1084 | V1056-L1080 HydrophobicContact CB-CD1 3.73Å; V1056-L1080 HydrophobicContact CG1-CD1 3.39Å; I1060-L1080 HydrophobicContact CD1-CD1 4.26Å; A1075-L1080 HydrophobicContact CB-CB 4.22Å; A1075-L1080 WeakPolarHBondContact O-CB 3Å; A1075-L1080 PolarHBondContact O-N 2.94Å; S1078-L1080 VanDerWaalsContact C-N 3.33Å; S1078-L1080 PolarHBondContact O-N 3.29Å; L1080-E1083 VanDerWaalsContact CA-OE2 3.26Å; L1080-E1083 WeakPolarHBondContact CA-OE2 3.27Å; L1080-E1083 HydrophobicContact CB-CB 4.14Å; L1080-E1083 HydrophobicContact CB-CG 4.04Å; L1080-E1083 WeakPolarHBondContact CB-OE2 3.33Å; L1080-E1083 WeakPolarHBondContact O-CB 3.3Å; L1080-A1084 PolarHBondContact O-N 3.17Å | ||
| 1081 | Y | 67.5 | Low | 68 | Low | 79 Ų | 79 | 58.6 Ų | 58.6 | 31% | 0.31 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -82.2 | -35 | -164.6 | -63.1 | -46.5 | 0 | 0 | 0 | 115.2 | I1076 Q1079 E1083 A1084 F1085 H1104 | I1076-Y1081 WeakPolarHBondContact O-CE1 3.45Å; Q1079-Y1081 HydrophobicContact CB-CE2 3.88Å; Q1079-Y1081 HydrophobicContact CG-CE2 4.48Å; Q1079-Y1081 WeakPolarHBondContact CG-OH 3.48Å; Y1081-E1083 VanDerWaalsContact C-N 3.34Å; Y1081-E1083 PolarHBondContact N-OE2 3.17Å; Y1081-A1084 PolarHBondContact O-N 3.39Å; Y1081-F1085 PolarHBondContact O-N 3.4Å; Y1081-H1104 HydrophobicContact CD1-CB 3.57Å; Y1081-H1104 AromaticContact CD1-CG 3.54Å; Y1081-H1104 AromaticContact CD1-ND1 3.43Å; Y1081-H1104 WeakPolarHBondContact CD1-ND1 3.32Å; Y1081-H1104 HydrophobicContact CE1-CB 4.37Å; Y1081-H1104 AromaticContact CE1-ND1 3.48Å; Y1081-H1104 WeakPolarHBondContact CE1-ND1 3.38Å; Y1081-H1104 HydrophobicContact CG-CB 3.78Å |
| 1082 | E | 71.7 | Confident | 67.5 | Low | 123 Ų | 123 | 65 Ų | 65 | 58% | 0.575 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -70.9 | -35 | 175.2 | -73.9 | -72.4 | 173 | 0 | 0 | 110.5 | A1084 F1085 A1086 | E1082-A1084 VanDerWaalsContact C-N 3.32Å; E1082-A1084 PolarHBondContact O-N 2.89Å; E1082-F1085 PolarHBondContact O-N 3.14Å; E1082-A1086 VanDerWaalsContact O-CB 3.26Å; E1082-A1086 WeakPolarHBondContact O-CB 3.37Å; E1082-A1086 PolarHBondContact O-N 2.84Å |
| 1083 | E | 71.8 | Confident | 68 | Low | 41 Ų | 41 | 67.5 Ų | 67.5 | 19% | 0.192 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.8 | -46.6 | 170.9 | -66.1 | 77.6 | -177 | 0 | 0 | 111 | M1057 L1080 Y1081 I1087 | M1057-E1083 HydrophobicContact CE-CB 4.5Å; M1057-E1083 HydrophobicContact CE-CG 3.34Å; M1057-E1083 HydrophobicContact CG-CG 4.28Å; M1057-E1083 HydrophobicContact SD-CB 4.27Å; M1057-E1083 HydrophobicContact SD-CG 3.21Å; M1057-E1083 WeakPolarHBondContact SD-CG 3.24Å; L1080-E1083 VanDerWaalsContact CA-OE2 3.26Å; L1080-E1083 WeakPolarHBondContact CA-OE2 3.27Å; L1080-E1083 HydrophobicContact CB-CB 4.14Å; L1080-E1083 HydrophobicContact CB-CG 4.04Å; L1080-E1083 WeakPolarHBondContact CB-OE2 3.33Å; L1080-E1083 WeakPolarHBondContact O-CB 3.3Å; Y1081-E1083 VanDerWaalsContact C-N 3.34Å; Y1081-E1083 PolarHBondContact N-OE2 3.17Å; E1083-I1087 WeakPolarHBondContact O-CD1 3.47Å; E1083-I1087 WeakPolarHBondContact O-CG1 3.42Å; E1083-I1087 PolarHBondContact O-N 3.14Å; E1083-I1087 VanDerWaalsContact O-N 3.07Å |
| 1084 | A | 67.2 | Low | 68.2 | Low | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.2 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1076 L1080 Y1081 E1082 A1086 I1087 F1088 | I1076-A1084 HydrophobicContact CD1-CB 4.06Å; I1076-A1084 HydrophobicContact CG1-CB 3.59Å; L1080-A1084 PolarHBondContact O-N 3.17Å; Y1081-A1084 PolarHBondContact O-N 3.39Å; E1082-A1084 VanDerWaalsContact C-N 3.32Å; E1082-A1084 PolarHBondContact O-N 2.89Å; A1084-A1086 VanDerWaalsContact C-N 3.31Å; A1084-A1086 PolarHBondContact O-N 3.4Å; A1084-I1087 WeakPolarHBondContact O-CB 3.33Å; A1084-I1087 PolarHBondContact O-N 3.07Å; A1084-F1088 HydrophobicContact CB-CE2 4.48Å; A1084-F1088 WeakPolarHBondContact O-CD2 3.34Å; A1084-F1088 PolarHBondContact O-N 3.47Å |
| 1085 | F | 71.3 | Confident | 68.4 | Low | 31 Ų | 31 | 70.8 Ų | 70.8 | 14% | 0.136 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.5 | -43 | 177.8 | -172.5 | -130.2 | 0 | 0 | 0 | 112.3 | Y1081 E1082 F1088 K1089 A1097 V1100 L1101 I1105 | Y1081-F1085 PolarHBondContact O-N 3.4Å; E1082-F1085 PolarHBondContact O-N 3.14Å; F1085-F1088 PolarHBondContact O-N 3.39Å; F1085-K1089 HydrophobicContact CE1-CD 4.21Å; F1085-K1089 HydrophobicContact CZ-CD 4.21Å; F1085-K1089 VanDerWaalsContact O-CB 3.25Å; F1085-K1089 WeakPolarHBondContact O-CB 3.41Å; F1085-K1089 PolarHBondContact O-N 3.2Å; F1085-A1097 HydrophobicContact CE2-CB 4.49Å; F1085-V1100 VanDerWaalsContact CA-CG1 3.48Å; F1085-V1100 HydrophobicContact CB-CB 4.29Å; F1085-V1100 HydrophobicContact CB-CG1 3.32Å; F1085-V1100 HydrophobicContact CD2-CB 3.66Å; F1085-V1100 HydrophobicContact CD2-CG1 3.54Å; F1085-V1100 HydrophobicContact CD2-CG2 4.42Å; F1085-V1100 HydrophobicContact CG-CB 4.39Å; F1085-V1100 HydrophobicContact CG-CG1 3.78Å; F1085-L1101 HydrophobicContact CE2-CD1 4.14Å; F1085-L1101 HydrophobicContact CE2-CD2 4.16Å; F1085-L1101 HydrophobicContact CE2-CG 3.71Å; F1085-L1101 HydrophobicContact CZ-CD1 4.2Å; F1085-L1101 HydrophobicContact CZ-CD2 3.93Å; F1085-L1101 HydrophobicContact CZ-CG 3.93Å; F1085-I1105 HydrophobicContact CB-CD1 4.16Å; F1085-I1105 HydrophobicContact CD1-CD1 3.79Å; F1085-I1105 HydrophobicContact CD2-CD1 4.2Å; F1085-I1105 HydrophobicContact CE1-CD1 4.21Å; F1085-I1105 HydrophobicContact CG-CD1 3.78Å |
| 1086 | A | 72.5 | Confident | 68.6 | Low | 60 Ų | 60 | 72 Ų | 72 | 50% | 0.496 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1082 A1084 K1090 | E1082-A1086 VanDerWaalsContact O-CB 3.26Å; E1082-A1086 WeakPolarHBondContact O-CB 3.37Å; E1082-A1086 PolarHBondContact O-N 2.84Å; A1084-A1086 VanDerWaalsContact C-N 3.31Å; A1084-A1086 PolarHBondContact O-N 3.4Å; A1086-K1090 WeakPolarHBondContact O-CB 3.23Å; A1086-K1090 PolarHBondContact O-N 3.19Å; A1086-K1090 VanDerWaalsContact O-N 3.1Å |
| 1087 | I | 72.1 | Confident | 69.1 | Low | 24 Ų | 24 | 70.5 Ų | 70.5 | 12% | 0.123 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.2 | -53.7 | 172.3 | -67.7 | 161.8 | 0 | 0 | 0 | 109.7 | I1060 A1072 E1083 A1084 K1090 F1091 | I1060-I1087 HydrophobicContact CG2-CD1 4.13Å; A1072-I1087 HydrophobicContact CB-CD1 4.2Å; A1072-I1087 HydrophobicContact CB-CG2 4.11Å; E1083-I1087 WeakPolarHBondContact O-CD1 3.47Å; E1083-I1087 WeakPolarHBondContact O-CG1 3.42Å; E1083-I1087 PolarHBondContact O-N 3.14Å; E1083-I1087 VanDerWaalsContact O-N 3.07Å; A1084-I1087 WeakPolarHBondContact O-CB 3.33Å; A1084-I1087 PolarHBondContact O-N 3.07Å; I1087-K1090 WeakPolarHBondContact O-CB 3.36Å; I1087-K1090 PolarHBondContact O-N 2.57Å; I1087-F1091 VanDerWaalsContact O-CD2 3.29Å; I1087-F1091 WeakPolarHBondContact O-CD2 3.02Å |
| 1088 | F | 74.4 | Confident | 70.1 | Confident | 40 Ų | 40 | 66.9 Ų | 66.9 | 18% | 0.175 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.3 | -39.7 | -174.4 | -71.7 | -62 | 0 | 0 | 0 | 114.5 | A1072 I1076 A1084 F1085 K1090 F1091 S1096 V1100 | A1072-F1088 HydrophobicContact CB-CE1 4.35Å; A1072-F1088 HydrophobicContact CB-CE2 3.79Å; A1072-F1088 HydrophobicContact CB-CZ 3.63Å; I1076-F1088 HydrophobicContact CD1-CE2 4Å; A1084-F1088 HydrophobicContact CB-CE2 4.48Å; A1084-F1088 WeakPolarHBondContact O-CD2 3.34Å; A1084-F1088 PolarHBondContact O-N 3.47Å; F1085-F1088 PolarHBondContact O-N 3.39Å; F1088-K1090 VanDerWaalsContact C-N 3.3Å; F1088-K1090 PolarHBondContact O-N 3.17Å; F1088-F1091 PolarHBondContact O-N 2.69Å; F1088-S1096 VanDerWaalsContact CD1-CB 3.46Å; F1088-V1100 HydrophobicContact CB-CG2 4.23Å; F1088-V1100 HydrophobicContact CD2-CG2 3.3Å; F1088-V1100 HydrophobicContact CE2-CG2 3.97Å; F1088-V1100 HydrophobicContact CG-CG2 4.08Å |
| 1089 | K | 66 | Low | 70.2 | Confident | 139 Ų | 139 | 70.3 Ų | 70.3 | 60% | 0.604 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65.5 | -32.1 | 174.8 | -173.5 | 179.8 | 177.7 | -177.4 | 0 | 112.1 | F1085 F1091 | F1085-K1089 HydrophobicContact CE1-CD 4.21Å; F1085-K1089 HydrophobicContact CZ-CD 4.21Å; F1085-K1089 VanDerWaalsContact O-CB 3.25Å; F1085-K1089 WeakPolarHBondContact O-CB 3.41Å; F1085-K1089 PolarHBondContact O-N 3.2Å; K1089-F1091 VanDerWaalsContact C-N 3.26Å; K1089-F1091 PolarHBondContact O-N 3Å |
| 1090 | K | 68.8 | Low | 70.1 | Confident | 173 Ų | 173 | 63.6 Ų | 63.6 | 75% | 0.752 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.9 | -23.6 | 178.4 | -173.7 | 177.7 | 179.8 | -174.5 | 0 | 113.1 | A1086 I1087 F1088 | A1086-K1090 WeakPolarHBondContact O-CB 3.23Å; A1086-K1090 PolarHBondContact O-N 3.19Å; A1086-K1090 VanDerWaalsContact O-N 3.1Å; I1087-K1090 WeakPolarHBondContact O-CB 3.36Å; I1087-K1090 PolarHBondContact O-N 2.57Å; F1088-K1090 VanDerWaalsContact C-N 3.3Å; F1088-K1090 PolarHBondContact O-N 3.17Å |
| 1091 | F | 71.7 | Confident | 70.2 | Confident | 138 Ų | 138 | 62.5 Ų | 62.5 | 61% | 0.605 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 14.7 | -178.6 | -71.4 | -82 | 0 | 0 | 0 | 114.7 | I1087 F1088 K1089 V1093 | I1087-F1091 VanDerWaalsContact O-CD2 3.29Å; I1087-F1091 WeakPolarHBondContact O-CD2 3.02Å; F1088-F1091 PolarHBondContact O-N 2.69Å; K1089-F1091 VanDerWaalsContact C-N 3.26Å; K1089-F1091 PolarHBondContact O-N 3Å; F1091-V1093 VanDerWaalsContact C-N 3.25Å; F1091-V1093 HydrophobicContact CB-CG2 4.2Å; F1091-V1093 WeakPolarHBondContact O-CG2 3.42Å; F1091-V1093 PolarHBondContact O-N 3.39Å |
| 1092 | N | 62.8 | Low | 70.4 | Confident | 140 Ų | 140 | 59.4 Ų | 59.4 | 75% | 0.749 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 29.7 | 176.3 | -75.6 | -20.8 | 0 | 0 | 0 | 115.6 | N1094 | N1092-N1094 PolarHBondContact O-N 3.41Š|
| 1093 | V | 72.8 | Confident | 70.1 | Confident | 54 Ų | 54 | 56.3 Ų | 56.3 | 33% | 0.327 | 29% | 0.288 | S | S | . | . | trans | -90.1 | 82.7 | 178.3 | -167.7 | 0 | 0 | 0 | 0 | 108.9 | F1091 T1095 S1096 A1097 | F1091-V1093 VanDerWaalsContact C-N 3.25Å; F1091-V1093 HydrophobicContact CB-CG2 4.2Å; F1091-V1093 WeakPolarHBondContact O-CG2 3.42Å; F1091-V1093 PolarHBondContact O-N 3.39Å; V1093-T1095 VanDerWaalsContact C-N 3.26Å; V1093-T1095 PolarHBondContact O-N 2.99Å; V1093-S1096 WeakPolarHBondContact CG1-OG 3.44Å; V1093-S1096 CarbonylContact O-C 3.53Å; V1093-S1096 PolarHBondContact O-N 2.9Å; V1093-A1097 WeakPolarHBondContact O-CB 3.37Å; V1093-A1097 PolarHBondContact O-N 3.36Å | ||
| 1094 | N | 68.8 | Low | 69.7 | Low | 80 Ų | 80 | 56.5 Ų | 56.5 | 43% | 0.428 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.3 | -31.6 | -172.2 | -71.1 | -24.1 | 0 | 0 | 0 | 113.9 | N1092 V1098 | N1092-N1094 PolarHBondContact O-N 3.41Å; N1094-V1098 WeakPolarHBondContact O-CB 3.4Å; N1094-V1098 PolarHBondContact O-N 3.18Å |
| 1095 | T | 71.4 | Confident | 69.7 | Low | 51 Ų | 51 | 58.9 Ų | 58.9 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64 | -48.9 | 172.1 | 45.4 | 0 | 0 | 0 | 0 | 111.3 | V1093 Q1099 L1126 | V1093-T1095 VanDerWaalsContact C-N 3.26Å; V1093-T1095 PolarHBondContact O-N 2.99Å; T1095-Q1099 VanDerWaalsContact O-CB 3.32Å; T1095-Q1099 WeakPolarHBondContact O-CB 3.11Å; T1095-Q1099 PolarHBondContact O-N 3.08Å; T1095-L1126 HydrophobicContact CG2-CD1 4.02Å |
| 1096 | S | 67.3 | Low | 69.5 | Low | 25 Ų | 25 | 59.6 Ų | 59.6 | 18% | 0.175 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.7 | -32.7 | 176 | -55.5 | 0 | 0 | 0 | 0 | 112.7 | F1088 V1093 Q1099 V1100 | F1088-S1096 VanDerWaalsContact CD1-CB 3.46Å; V1093-S1096 WeakPolarHBondContact CG1-OG 3.44Å; V1093-S1096 CarbonylContact O-C 3.53Å; V1093-S1096 PolarHBondContact O-N 2.9Å; S1096-Q1099 PolarHBondContact O-N 3.17Å; S1096-V1100 WeakPolarHBondContact O-CG2 3.44Å; S1096-V1100 PolarHBondContact O-N 3.17Å |
| 1097 | A | 72 | Confident | 69.6 | Low | 10 Ų | 10 | 60 Ų | 60 | 8% | 0.083 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1085 V1093 V1100 L1101 | F1085-A1097 HydrophobicContact CE2-CB 4.49Å; V1093-A1097 WeakPolarHBondContact O-CB 3.37Å; V1093-A1097 PolarHBondContact O-N 3.36Å; A1097-V1100 PolarHBondContact O-N 2.74Å; A1097-L1101 WeakPolarHBondContact O-CG 3.28Å; A1097-L1101 PolarHBondContact O-N 2.72Å; A1097-L1101 VanDerWaalsContact O-N 3.15Å |
| 1098 | V | 77.2 | Confident | 69.6 | Low | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64 | -41.8 | 169.1 | 154 | 0 | 0 | 0 | 0 | 111.2 | N1094 V1100 L1101 I1102 F1114 V1123 L1126 | N1094-V1098 WeakPolarHBondContact O-CB 3.4Å; N1094-V1098 PolarHBondContact O-N 3.18Å; V1098-V1100 VanDerWaalsContact C-N 3.29Å; V1098-V1100 PolarHBondContact O-N 3.41Å; V1098-L1101 WeakPolarHBondContact O-CB 3.47Å; V1098-L1101 PolarHBondContact O-N 3.36Å; V1098-L1101 VanDerWaalsContact O-N 3.12Å; V1098-I1102 HydrophobicContact CG1-CD1 3.29Å; V1098-I1102 HydrophobicContact CG1-CG1 4.19Å; V1098-I1102 WeakPolarHBondContact O-CB 3.35Å; V1098-I1102 WeakPolarHBondContact O-CD1 3.49Å; V1098-I1102 WeakPolarHBondContact O-CG1 3.37Å; V1098-I1102 PolarHBondContact O-N 2.92Å; V1098-F1114 HydrophobicContact CB-CE1 4.5Å; V1098-F1114 HydrophobicContact CG2-CD1 3.05Å; V1098-F1114 HydrophobicContact CG2-CE1 3.15Å; V1098-F1114 HydrophobicContact CG2-CG 4.01Å; V1098-F1114 HydrophobicContact CG2-CZ 4.18Å; V1098-V1123 HydrophobicContact CG2-CG1 4.15Å; V1098-L1126 HydrophobicContact CG1-CB 3.88Å; V1098-L1126 HydrophobicContact CG1-CD1 4.21Å |
| 1099 | Q | 65.8 | Low | 69.5 | Low | 86 Ų | 86 | 63.9 Ų | 63.9 | 40% | 0.402 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.7 | -34.3 | 179.3 | -162.8 | 164.9 | 1.6 | 0 | 0 | 112.6 | T1095 S1096 I1102 D1103 | T1095-Q1099 VanDerWaalsContact O-CB 3.32Å; T1095-Q1099 WeakPolarHBondContact O-CB 3.11Å; T1095-Q1099 PolarHBondContact O-N 3.08Å; S1096-Q1099 PolarHBondContact O-N 3.17Å; Q1099-I1102 PolarHBondContact O-N 3.47Å; Q1099-D1103 WeakPolarHBondContact CG-OD2 3.37Å; Q1099-D1103 PolarHBondContact NE2-OD2 3.12Å; Q1099-D1103 WeakPolarHBondContact O-CA 3.4Å; Q1099-D1103 WeakPolarHBondContact O-CB 3.27Å; Q1099-D1103 PolarHBondContact O-N 3Å |
| 1100 | V | 70.3 | Confident | 69.8 | Low | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -73.9 | -37 | 173.5 | -179.9 | 0 | 0 | 0 | 0 | 112.1 | F1085 F1088 S1096 A1097 V1098 I1102 H1104 I1105 | F1085-V1100 VanDerWaalsContact CA-CG1 3.48Å; F1085-V1100 HydrophobicContact CB-CB 4.29Å; F1085-V1100 HydrophobicContact CB-CG1 3.32Å; F1085-V1100 HydrophobicContact CD2-CB 3.66Å; F1085-V1100 HydrophobicContact CD2-CG1 3.54Å; F1085-V1100 HydrophobicContact CD2-CG2 4.42Å; F1085-V1100 HydrophobicContact CG-CB 4.39Å; F1085-V1100 HydrophobicContact CG-CG1 3.78Å; F1088-V1100 HydrophobicContact CB-CG2 4.23Å; F1088-V1100 HydrophobicContact CD2-CG2 3.3Å; F1088-V1100 HydrophobicContact CE2-CG2 3.97Å; F1088-V1100 HydrophobicContact CG-CG2 4.08Å; S1096-V1100 WeakPolarHBondContact O-CG2 3.44Å; S1096-V1100 PolarHBondContact O-N 3.17Å; A1097-V1100 PolarHBondContact O-N 2.74Å; V1098-V1100 VanDerWaalsContact C-N 3.29Å; V1098-V1100 PolarHBondContact O-N 3.41Å; V1100-I1102 PolarHBondContact O-N 3.39Å; V1100-H1104 HydrophobicContact CG1-CB 4.08Å; V1100-H1104 PolarHBondContact O-N 3.23Å; V1100-H1104 VanDerWaalsContact O-N 3.08Å; V1100-I1105 HydrophobicContact CG1-CD1 4.34Å; V1100-I1105 PolarHBondContact O-N 3.4Å |
| 1101 | L | 71.1 | Confident | 70 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 7% | 0.073 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -34.8 | 173.4 | -76.7 | 166 | 0 | 0 | 0 | 112.1 | F1085 A1097 V1098 I1105 G1106 N1107 | F1085-L1101 HydrophobicContact CE2-CD1 4.14Å; F1085-L1101 HydrophobicContact CE2-CD2 4.16Å; F1085-L1101 HydrophobicContact CE2-CG 3.71Å; F1085-L1101 HydrophobicContact CZ-CD1 4.2Å; F1085-L1101 HydrophobicContact CZ-CD2 3.93Å; F1085-L1101 HydrophobicContact CZ-CG 3.93Å; A1097-L1101 WeakPolarHBondContact O-CG 3.28Å; A1097-L1101 PolarHBondContact O-N 2.72Å; A1097-L1101 VanDerWaalsContact O-N 3.15Å; V1098-L1101 WeakPolarHBondContact O-CB 3.47Å; V1098-L1101 PolarHBondContact O-N 3.36Å; V1098-L1101 VanDerWaalsContact O-N 3.12Å; L1101-I1105 HydrophobicContact CD2-CD1 3.9Å; L1101-G1106 PolarHBondContact O-N 2.9Å; L1101-G1106 VanDerWaalsContact O-N 3.09Å; L1101-N1107 PolarHBondContact O-N 3.36Å |
| 1102 | I | 72.3 | Confident | 70.2 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 8% | 0.077 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -78.8 | -61.6 | 176.8 | -67.5 | 162.4 | 0 | 0 | 0 | 111.3 | V1098 Q1099 V1100 G1106 A1111 L1126 A1130 | V1098-I1102 HydrophobicContact CG1-CD1 3.29Å; V1098-I1102 HydrophobicContact CG1-CG1 4.19Å; V1098-I1102 WeakPolarHBondContact O-CB 3.35Å; V1098-I1102 WeakPolarHBondContact O-CD1 3.49Å; V1098-I1102 WeakPolarHBondContact O-CG1 3.37Å; V1098-I1102 PolarHBondContact O-N 2.92Å; Q1099-I1102 PolarHBondContact O-N 3.47Å; V1100-I1102 PolarHBondContact O-N 3.39Å; I1102-G1106 WeakPolarHBondContact O-CA 3.41Å; I1102-G1106 PolarHBondContact O-N 2.87Å; I1102-A1111 HydrophobicContact CG1-CB 4.02Å; I1102-L1126 HydrophobicContact CD1-CB 4.3Å; I1102-A1130 HydrophobicContact CB-CB 4.08Å; I1102-A1130 HydrophobicContact CD1-CB 3.68Å; I1102-A1130 HydrophobicContact CG1-CB 3.61Å; I1102-A1130 HydrophobicContact CG2-CB 3.28Å |
| 1103 | D | 64.4 | Low | 70.8 | Confident | 58 Ų | 58 | 51.8 Ų | 51.8 | 31% | 0.31 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -84.7 | -21 | -163.1 | -69 | -22.9 | 0 | 0 | 0 | 113.1 | Q1099 R1133 | Q1099-D1103 WeakPolarHBondContact CG-OD2 3.37Å; Q1099-D1103 PolarHBondContact NE2-OD2 3.12Å; Q1099-D1103 WeakPolarHBondContact O-CA 3.4Å; Q1099-D1103 WeakPolarHBondContact O-CB 3.27Å; Q1099-D1103 PolarHBondContact O-N 3Å; D1103-R1133 IonicContact OD1-CZ 3.88Å; D1103-R1133 IonicContact OD1-NH1 3.72Å; D1103-R1133 PolarHBondContact OD1-NH1 2.71Å; D1103-R1133 IonicContact OD2-NH1 3.66Å; D1103-R1133 PolarHBondContact OD2-NH1 2.98Å |
| 1104 | H | 63.7 | Low | 70.9 | Confident | 45 Ų | 45 | 52 Ų | 52 | 21% | 0.208 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | -32.2 | -173.8 | -59 | -44.1 | 0 | 0 | 0 | 114.7 | I1076 Y1081 V1100 | I1076-H1104 WeakPolarHBondContact CD1-NE2 3.41Å; I1076-H1104 VanDerWaalsContact CG1-NE2 3.31Å; I1076-H1104 WeakPolarHBondContact CG1-NE2 3.29Å; I1076-H1104 WeakPolarHBondContact CG2-CE1 3.45Å; I1076-H1104 WeakPolarHBondContact CG2-NE2 3.47Å; Y1081-H1104 HydrophobicContact CD1-CB 3.57Å; Y1081-H1104 AromaticContact CD1-CG 3.54Å; Y1081-H1104 AromaticContact CD1-ND1 3.43Å; Y1081-H1104 WeakPolarHBondContact CD1-ND1 3.32Å; Y1081-H1104 HydrophobicContact CE1-CB 4.37Å; Y1081-H1104 AromaticContact CE1-ND1 3.48Å; Y1081-H1104 WeakPolarHBondContact CE1-ND1 3.38Å; Y1081-H1104 HydrophobicContact CG-CB 3.78Å; V1100-H1104 HydrophobicContact CG1-CB 4.08Å; V1100-H1104 PolarHBondContact O-N 3.23Å; V1100-H1104 VanDerWaalsContact O-N 3.08Å |
| 1105 | I | 67.9 | Low | 71.3 | Confident | 49 Ų | 49 | 48.2 Ų | 48.2 | 25% | 0.251 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -93.9 | -24.2 | 174.3 | -61.2 | 169.6 | 0 | 0 | 0 | 111.2 | F1085 V1100 L1101 N1107 | F1085-I1105 HydrophobicContact CB-CD1 4.16Å; F1085-I1105 HydrophobicContact CD1-CD1 3.79Å; F1085-I1105 HydrophobicContact CD2-CD1 4.2Å; F1085-I1105 HydrophobicContact CE1-CD1 4.21Å; F1085-I1105 HydrophobicContact CG-CD1 3.78Å; V1100-I1105 HydrophobicContact CG1-CD1 4.34Å; V1100-I1105 PolarHBondContact O-N 3.4Å; L1101-I1105 HydrophobicContact CD2-CD1 3.9Å; I1105-N1107 VanDerWaalsContact C-N 3.27Å; I1105-N1107 HydrophobicContact CG2-CB 4.36Å; I1105-N1107 PolarHBondContact O-N 2.93Å |
| 1106 | G | 65.9 | Low | 71.3 | Confident | 47 Ų | 47 | 51.3 Ų | 51.3 | 49% | 0.485 | 26% | 0.258 | S | S | . | . | trans | 68.8 | 12.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | L1101 I1102 L1108 | L1101-G1106 PolarHBondContact O-N 2.9Å; L1101-G1106 VanDerWaalsContact O-N 3.09Å; I1102-G1106 WeakPolarHBondContact O-CA 3.41Å; I1102-G1106 PolarHBondContact O-N 2.87Å; G1106-L1108 PolarHBondContact O-N 3.33Å | ||
| 1107 | N | 75.4 | Confident | 71.5 | Confident | 68 Ų | 68 | 60.3 Ų | 60.3 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | trans | -98.3 | 93.1 | -176.4 | -169.5 | -37.4 | 0 | 0 | 0 | 111.2 | L1101 I1105 D1109 R1110 A1111 | L1101-N1107 PolarHBondContact O-N 3.36Å; I1105-N1107 VanDerWaalsContact C-N 3.27Å; I1105-N1107 HydrophobicContact CG2-CB 4.36Å; I1105-N1107 PolarHBondContact O-N 2.93Å; N1107-D1109 PolarHBondContact O-N 3.03Å; N1107-D1109 PolarHBondContact OD1-N 3.11Å; N1107-R1110 HydrophobicContact CB-CB 4.18Å; N1107-R1110 WeakPolarHBondContact O-CB 3.32Å; N1107-R1110 PolarHBondContact O-N 3.24Å; N1107-R1110 PolarHBondContact OD1-N 2.82Å; N1107-R1110 VanDerWaalsContact OD1-N 3.07Å; N1107-A1111 PolarHBondContact O-N 3.39Å | ||
| 1108 | L | 72.5 | Confident | 71.5 | Confident | 19 Ų | 19 | 62 Ų | 62 | 10% | 0.099 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.7 | -29.8 | -177.3 | -69 | -168.8 | 0 | 0 | 0 | 114.5 | G1106 R1110 A1111 Y1112 A1130 Q1131 N1134 L1136 | G1106-L1108 PolarHBondContact O-N 3.33Å; L1108-R1110 VanDerWaalsContact C-N 3.31Å; L1108-A1111 CarbonylContact O-C 3.54Å; L1108-A1111 WeakPolarHBondContact O-CB 3.49Å; L1108-A1111 PolarHBondContact O-N 3.47Å; L1108-A1111 VanDerWaalsContact O-N 3.12Å; L1108-Y1112 WeakPolarHBondContact O-CB 3.46Å; L1108-Y1112 PolarHBondContact O-N 3.18Å; L1108-A1130 HydrophobicContact CD2-CB 3.54Å; L1108-Q1131 HydrophobicContact CD1-CG 4.48Å; L1108-N1134 HydrophobicContact CD1-CB 3.48Å; L1108-N1134 VanDerWaalsContact CD1-CB 3.48Å; L1108-N1134 WeakPolarHBondContact CD1-ND2 3.44Å; L1108-N1134 WeakPolarHBondContact CD2-ND2 3.3Å; L1108-N1134 WeakPolarHBondContact CG-ND2 3.49Å; L1108-L1136 HydrophobicContact CD1-CD1 3.82Å |
| 1109 | D | 71.8 | Confident | 71.4 | Confident | 126 Ų | 126 | 67.5 Ų | 67.5 | 67% | 0.674 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -64.8 | -42.1 | 176.8 | -61.3 | -36.1 | 0 | 0 | 0 | 109.8 | N1107 A1111 Y1112 E1113 | N1107-D1109 PolarHBondContact O-N 3.03Å; N1107-D1109 PolarHBondContact OD1-N 3.11Å; D1109-A1111 VanDerWaalsContact C-N 3.27Å; D1109-A1111 PolarHBondContact O-N 2.87Å; D1109-Y1112 PolarHBondContact O-N 3.42Å; D1109-E1113 WeakPolarHBondContact O-CG 3.5Å; D1109-E1113 PolarHBondContact O-N 2.96Å |
| 1110 | R | 72.3 | Confident | 71.8 | Confident | 145 Ų | 145 | 68.3 Ų | 68.3 | 55% | 0.547 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.6 | -36 | 171.3 | -110.3 | -175.6 | 171.7 | -176.9 | 0.3 | 112.5 | N1107 L1108 F1114 | N1107-R1110 HydrophobicContact CB-CB 4.18Å; N1107-R1110 WeakPolarHBondContact O-CB 3.32Å; N1107-R1110 PolarHBondContact O-N 3.24Å; N1107-R1110 PolarHBondContact OD1-N 2.82Å; N1107-R1110 VanDerWaalsContact OD1-N 3.07Å; L1108-R1110 VanDerWaalsContact C-N 3.31Å; R1110-F1114 VanDerWaalsContact O-CB 3.24Å; R1110-F1114 WeakPolarHBondContact O-CB 3.37Å; R1110-F1114 PolarHBondContact O-N 3.14Å; R1110-F1114 VanDerWaalsContact O-N 3.15Å |
| 1111 | A | 73.5 | Confident | 72.1 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -73.7 | -37.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | I1102 N1107 L1108 D1109 F1114 A1115 L1127 | I1102-A1111 HydrophobicContact CG1-CB 4.02Å; N1107-A1111 PolarHBondContact O-N 3.39Å; L1108-A1111 CarbonylContact O-C 3.54Å; L1108-A1111 WeakPolarHBondContact O-CB 3.49Å; L1108-A1111 PolarHBondContact O-N 3.47Å; L1108-A1111 VanDerWaalsContact O-N 3.12Å; D1109-A1111 VanDerWaalsContact C-N 3.27Å; D1109-A1111 PolarHBondContact O-N 2.87Å; A1111-F1114 PolarHBondContact O-N 3.18Å; A1111-A1115 WeakPolarHBondContact O-CB 3.33Å; A1111-A1115 PolarHBondContact O-N 3.24Å; A1111-L1127 HydrophobicContact CB-CD1 3.72Å |
| 1112 | Y | 74.9 | Confident | 72.3 | Confident | 73 Ų | 73 | 76.8 Ų | 76.8 | 29% | 0.286 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.6 | -48.7 | 176.5 | -172 | -82.3 | 0 | 0 | 0 | 111.6 | L1108 D1109 F1114 A1115 E1116 W1124 L1127 | L1108-Y1112 WeakPolarHBondContact O-CB 3.46Å; L1108-Y1112 PolarHBondContact O-N 3.18Å; D1109-Y1112 PolarHBondContact O-N 3.42Å; Y1112-F1114 VanDerWaalsContact C-N 3.29Å; Y1112-F1114 PolarHBondContact O-N 3.39Å; Y1112-A1115 PolarHBondContact O-N 3.01Å; Y1112-E1116 WeakPolarHBondContact O-CB 3.39Å; Y1112-E1116 PolarHBondContact O-N 2.9Å; Y1112-W1124 HydrophobicContact CD2-CZ3 4.43Å; Y1112-W1124 HydrophobicContact CE2-CH2 4.28Å; Y1112-W1124 AromaticContact CE2-CZ3 3.95Å; Y1112-W1124 HydrophobicContact CE2-CZ3 3.95Å; Y1112-L1127 HydrophobicContact CD2-CD2 3.71Å; Y1112-L1127 HydrophobicContact CE2-CD2 4.48Å; Y1112-L1127 HydrophobicContact CG-CD2 4.19Å |
| 1113 | E | 75.3 | Confident | 72.6 | Confident | 119 Ų | 119 | 76.1 Ų | 76.1 | 56% | 0.556 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.1 | -38.4 | 173.9 | -71.7 | -176.1 | 177.5 | 0 | 0 | 112.2 | D1109 R1117 | D1109-E1113 WeakPolarHBondContact O-CG 3.5Å; D1109-E1113 PolarHBondContact O-N 2.96Å; E1113-R1117 WeakPolarHBondContact O-CB 3.07Å; E1113-R1117 WeakPolarHBondContact O-CG 3.47Å; E1113-R1117 PolarHBondContact O-N 3.4Å; E1113-R1117 VanDerWaalsContact O-N 3.14Å |
| 1114 | F | 74.6 | Confident | 73.4 | Confident | 58 Ų | 58 | 74.1 Ų | 74.1 | 25% | 0.254 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 175.8 | -172.9 | -88 | 0 | 0 | 0 | 111.5 | V1098 R1110 A1111 Y1112 R1117 C1118 V1123 | V1098-F1114 HydrophobicContact CB-CE1 4.5Å; V1098-F1114 HydrophobicContact CG2-CD1 3.05Å; V1098-F1114 HydrophobicContact CG2-CE1 3.15Å; V1098-F1114 HydrophobicContact CG2-CG 4.01Å; V1098-F1114 HydrophobicContact CG2-CZ 4.18Å; R1110-F1114 VanDerWaalsContact O-CB 3.24Å; R1110-F1114 WeakPolarHBondContact O-CB 3.37Å; R1110-F1114 PolarHBondContact O-N 3.14Å; R1110-F1114 VanDerWaalsContact O-N 3.15Å; A1111-F1114 PolarHBondContact O-N 3.18Å; Y1112-F1114 VanDerWaalsContact C-N 3.29Å; Y1112-F1114 PolarHBondContact O-N 3.39Å; F1114-R1117 PolarHBondContact O-N 3.42Å; F1114-C1118 VanDerWaalsContact CE1-SG 3.59Å; F1114-C1118 PolarHBondContact O-N 2.96Å; F1114-C1118 PolarHBondContact O-SG 3.29Å; F1114-C1118 VanDerWaalsContact O-SG 3.38Å; F1114-V1123 HydrophobicContact CD1-CG1 4.12Å; F1114-V1123 HydrophobicContact CE1-CG1 4.4Å |
| 1115 | A | 77 | Confident | 74.1 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.4 | -41.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1111 Y1112 R1117 C1118 N1119 V1123 W1124 L1127 | A1111-A1115 WeakPolarHBondContact O-CB 3.33Å; A1111-A1115 PolarHBondContact O-N 3.24Å; Y1112-A1115 PolarHBondContact O-N 3.01Å; A1115-R1117 VanDerWaalsContact C-N 3.26Å; A1115-R1117 PolarHBondContact O-N 3.25Å; A1115-C1118 PolarHBondContact O-N 3.44Å; A1115-N1119 WeakPolarHBondContact O-CA 3.39Å; A1115-N1119 PolarHBondContact O-N 3.45Å; A1115-V1123 HydrophobicContact CB-CG1 3.7Å; A1115-W1124 HydrophobicContact CB-CD2 4.4Å; A1115-W1124 HydrophobicContact CB-CE3 4.32Å; A1115-W1124 HydrophobicContact CB-CZ3 4.46Å; A1115-L1127 HydrophobicContact CB-CB 4.19Å; A1115-L1127 HydrophobicContact CB-CD2 3.48Å; A1115-L1127 VanDerWaalsContact CB-CD2 3.48Å; A1115-L1127 HydrophobicContact CB-CG 4.44Å |
| 1116 | E | 73 | Confident | 74.6 | Confident | 116 Ų | 116 | 71 Ų | 71 | 54% | 0.542 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.6 | -32.3 | 176.9 | -164.8 | 174.6 | -149.6 | 0 | 0 | 111.6 | Y1112 W1124 | Y1112-E1116 WeakPolarHBondContact O-CB 3.39Å; Y1112-E1116 PolarHBondContact O-N 2.9Å; E1116-W1124 HydrophobicContact CB-CH2 4.22Å; E1116-W1124 HydrophobicContact CB-CZ2 4.28Å; E1116-W1124 HydrophobicContact CG-CZ2 4.48Å |
| 1117 | R | 70.3 | Confident | 75.3 | Confident | 214 Ų | 214 | 68.7 Ų | 68.7 | 81% | 0.808 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -72.7 | -44.7 | 173 | -81 | -177.4 | -179.6 | -173 | 3.8 | 113.9 | E1113 F1114 A1115 | E1113-R1117 WeakPolarHBondContact O-CB 3.07Å; E1113-R1117 WeakPolarHBondContact O-CG 3.47Å; E1113-R1117 PolarHBondContact O-N 3.4Å; E1113-R1117 VanDerWaalsContact O-N 3.14Å; F1114-R1117 PolarHBondContact O-N 3.42Å; A1115-R1117 VanDerWaalsContact C-N 3.26Å; A1115-R1117 PolarHBondContact O-N 3.25Å |
| 1118 | C | 73.4 | Confident | 75.5 | Confident | 45 Ų | 45 | 65.5 Ų | 65.5 | 30% | 0.304 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -73.6 | -33.9 | -179.1 | -69.1 | 0 | 0 | 0 | 0 | 111.6 | F1114 A1115 E1120 V1123 | F1114-C1118 VanDerWaalsContact CE1-SG 3.59Å; F1114-C1118 PolarHBondContact O-N 2.96Å; F1114-C1118 PolarHBondContact O-SG 3.29Å; F1114-C1118 VanDerWaalsContact O-SG 3.38Å; A1115-C1118 PolarHBondContact O-N 3.44Å; C1118-E1120 PolarHBondContact O-N 2.99Å; C1118-V1123 HydrophobicContact CB-CG1 4.5Å; C1118-V1123 HydrophobicContact CB-CG2 4.25Å |
| 1119 | N | 74.6 | Confident | 75.9 | Confident | 118 Ų | 118 | 67.8 Ų | 67.8 | 63% | 0.631 | 32% | 0.316 | S | S | * | . | trans | 44.5 | 34.4 | -176.9 | -160.6 | 38.2 | 0 | 0 | 0 | 114.4 | A1115 W1124 | A1115-N1119 WeakPolarHBondContact O-CA 3.39Å; A1115-N1119 PolarHBondContact O-N 3.45Å; N1119-W1124 PolarHBondContact OD1-NE1 3.2Å | ||
| 1120 | E | 74.2 | Confident | 76.1 | Confident | 103 Ų | 103 | 61.9 Ų | 61.9 | 48% | 0.481 | 28% | 0.284 | S | S | . | . | trans | -95.7 | 138 | 176.6 | -75.9 | 178.9 | 175.8 | 0 | 0 | 109.9 | C1118 E1122 V1123 W1124 | C1118-E1120 PolarHBondContact O-N 2.99Å; E1120-E1122 PolarHBondContact O-N 2.98Å; E1120-V1123 HydrophobicContact CB-CB 4.37Å; E1120-V1123 HydrophobicContact CB-CG2 3.96Å; E1120-V1123 PolarHBondContact O-N 3.38Å; E1120-W1124 PolarHBondContact O-N 3.32Å | ||
| 1121 | S | 76.5 | Confident | 76.5 | Confident | 69 Ų | 69 | 55.4 Ų | 55.4 | 48% | 0.483 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55.2 | -38.3 | -179.4 | -168.3 | 0 | 0 | 0 | 0 | 112.4 | S1125 A1147 | S1121-S1125 WeakPolarHBondContact O-CB 3.48Å; S1121-S1125 PolarHBondContact O-N 3.15Å; S1121-A1147 PolarHBondContact OG-O 3.43Å |
| 1122 | E | 74.8 | Confident | 76.8 | Confident | 126 Ų | 126 | 55.8 Ų | 55.8 | 59% | 0.589 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -67 | -39.6 | 178.8 | -65.3 | -174.3 | -175.8 | 0 | 0 | 112 | E1120 S1125 L1126 | E1120-E1122 PolarHBondContact O-N 2.98Å; E1122-S1125 PolarHBondContact O-N 3.49Å; E1122-S1125 PolarHBondContact O-OG 3.48Å; E1122-L1126 PolarHBondContact O-N 3.49Å |
| 1123 | V | 78 | Confident | 76.8 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.7 | -41.6 | 178.9 | -175.3 | 0 | 0 | 0 | 0 | 110.7 | V1098 F1114 A1115 C1118 E1120 S1125 L1126 L1127 | V1098-V1123 HydrophobicContact CG2-CG1 4.15Å; F1114-V1123 HydrophobicContact CD1-CG1 4.12Å; F1114-V1123 HydrophobicContact CE1-CG1 4.4Å; A1115-V1123 HydrophobicContact CB-CG1 3.7Å; C1118-V1123 HydrophobicContact CB-CG1 4.5Å; C1118-V1123 HydrophobicContact CB-CG2 4.25Å; E1120-V1123 HydrophobicContact CB-CB 4.37Å; E1120-V1123 HydrophobicContact CB-CG2 3.96Å; E1120-V1123 PolarHBondContact O-N 3.38Å; V1123-S1125 VanDerWaalsContact C-N 3.29Å; V1123-S1125 PolarHBondContact O-N 3.44Å; V1123-L1126 PolarHBondContact O-N 2.98Å; V1123-L1127 WeakPolarHBondContact O-CB 3.47Å; V1123-L1127 PolarHBondContact O-N 3.05Å |
| 1124 | W | 81.5 | Confident | 76.8 | Confident | 15 Ų | 15 | 57.7 Ų | 57.7 | 6% | 0.057 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 171.1 | -77.2 | 114.5 | 0 | 0 | 0 | 111.9 | Y1112 A1115 E1116 N1119 E1120 L1127 A1128 A1147 | Y1112-W1124 HydrophobicContact CD2-CZ3 4.43Å; Y1112-W1124 HydrophobicContact CE2-CH2 4.28Å; Y1112-W1124 AromaticContact CE2-CZ3 3.95Å; Y1112-W1124 HydrophobicContact CE2-CZ3 3.95Å; A1115-W1124 HydrophobicContact CB-CD2 4.4Å; A1115-W1124 HydrophobicContact CB-CE3 4.32Å; A1115-W1124 HydrophobicContact CB-CZ3 4.46Å; E1116-W1124 HydrophobicContact CB-CH2 4.22Å; E1116-W1124 HydrophobicContact CB-CZ2 4.28Å; E1116-W1124 HydrophobicContact CG-CZ2 4.48Å; N1119-W1124 PolarHBondContact OD1-NE1 3.2Å; E1120-W1124 PolarHBondContact O-N 3.32Å; W1124-L1127 HydrophobicContact CE3-CD2 3.96Å; W1124-L1127 HydrophobicContact CZ3-CD2 3.87Å; W1124-A1128 WeakPolarHBondContact O-CB 3.26Å; W1124-A1128 PolarHBondContact O-N 3.14Å; W1124-A1147 HydrophobicContact CB-CB 3.96Å |
| 1125 | S | 79 | Confident | 76.8 | Confident | 7 Ų | 7 | 59.4 Ų | 59.4 | 5% | 0.049 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 175.6 | 84.4 | 0 | 0 | 0 | 0 | 112.6 | S1121 E1122 V1123 A1128 R1129 D1149 | S1121-S1125 WeakPolarHBondContact O-CB 3.48Å; S1121-S1125 PolarHBondContact O-N 3.15Å; E1122-S1125 PolarHBondContact O-N 3.49Å; E1122-S1125 PolarHBondContact O-OG 3.48Å; V1123-S1125 VanDerWaalsContact C-N 3.29Å; V1123-S1125 PolarHBondContact O-N 3.44Å; S1125-A1128 PolarHBondContact O-N 2.95Å; S1125-R1129 VanDerWaalsContact O-CG 3.3Å; S1125-R1129 WeakPolarHBondContact O-CG 3.13Å; S1125-R1129 PolarHBondContact O-N 3.4Å; S1125-R1129 PolarHBondContact OG-NH2 3.06Å; S1125-D1149 WeakPolarHBondContact CB-OD2 3.4Å |
| 1126 | L | 77.8 | Confident | 76.8 | Confident | 21 Ų | 21 | 62.7 Ų | 62.7 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.3 | -42.3 | 177.8 | -80.2 | 164.2 | 0 | 0 | 0 | 111.2 | T1095 V1098 I1102 E1122 V1123 R1129 A1130 | T1095-L1126 HydrophobicContact CG2-CD1 4.02Å; V1098-L1126 HydrophobicContact CG1-CB 3.88Å; V1098-L1126 HydrophobicContact CG1-CD1 4.21Å; I1102-L1126 HydrophobicContact CD1-CB 4.3Å; E1122-L1126 PolarHBondContact O-N 3.49Å; V1123-L1126 PolarHBondContact O-N 2.98Å; L1126-R1129 WeakPolarHBondContact O-CB 3.4Å; L1126-R1129 PolarHBondContact O-N 3.35Å; L1126-A1130 WeakPolarHBondContact O-CB 3.28Å; L1126-A1130 PolarHBondContact O-N 2.86Å |
| 1127 | L | 80.9 | Confident | 77 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 174 | 177.3 | 68 | 0 | 0 | 0 | 111.8 | A1111 Y1112 A1115 V1123 W1124 R1129 A1130 Q1131 | A1111-L1127 HydrophobicContact CB-CD1 3.72Å; Y1112-L1127 HydrophobicContact CD2-CD2 3.71Å; Y1112-L1127 HydrophobicContact CE2-CD2 4.48Å; Y1112-L1127 HydrophobicContact CG-CD2 4.19Å; A1115-L1127 HydrophobicContact CB-CB 4.19Å; A1115-L1127 HydrophobicContact CB-CD2 3.48Å; A1115-L1127 VanDerWaalsContact CB-CD2 3.48Å; A1115-L1127 HydrophobicContact CB-CG 4.44Å; V1123-L1127 WeakPolarHBondContact O-CB 3.47Å; V1123-L1127 PolarHBondContact O-N 3.05Å; W1124-L1127 HydrophobicContact CE3-CD2 3.96Å; W1124-L1127 HydrophobicContact CZ3-CD2 3.87Å; L1127-R1129 VanDerWaalsContact C-N 3.26Å; L1127-R1129 PolarHBondContact O-N 3.28Å; L1127-A1130 CarbonylContact O-C 3.01Å; L1127-A1130 WeakPolarHBondContact O-CA 3.26Å; L1127-A1130 VanDerWaalsContact O-CB 3.25Å; L1127-A1130 WeakPolarHBondContact O-CB 3.25Å; L1127-A1130 PolarHBondContact O-N 3.33Å; L1127-Q1131 HydrophobicContact CD1-CG 4.13Å; L1127-Q1131 HydrophobicContact CG-CG 4.19Å; L1127-Q1131 WeakPolarHBondContact O-CB 3.13Å; L1127-Q1131 WeakPolarHBondContact O-CG 3.29Å; L1127-Q1131 PolarHBondContact O-N 3.37Å |
| 1128 | A | 80.7 | Confident | 77.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.8 | -42.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | W1124 S1125 A1130 Q1131 L1132 F1144 | W1124-A1128 WeakPolarHBondContact O-CB 3.26Å; W1124-A1128 PolarHBondContact O-N 3.14Å; S1125-A1128 PolarHBondContact O-N 2.95Å; A1128-A1130 VanDerWaalsContact C-N 3.35Å; A1128-A1130 PolarHBondContact O-N 3.21Å; A1128-Q1131 PolarHBondContact O-N 2.94Å; A1128-L1132 VanDerWaalsContact O-CB 3.27Å; A1128-L1132 WeakPolarHBondContact O-CB 3.5Å; A1128-L1132 PolarHBondContact O-N 3.41Å; A1128-F1144 HydrophobicContact CB-CB 4.48Å; A1128-F1144 HydrophobicContact CB-CD1 3.65Å; A1128-F1144 HydrophobicContact CB-CD2 3.67Å; A1128-F1144 HydrophobicContact CB-CE1 3.63Å; A1128-F1144 HydrophobicContact CB-CE2 3.64Å; A1128-F1144 HydrophobicContact CB-CG 3.66Å; A1128-F1144 HydrophobicContact CB-CZ 3.62Å |
| 1129 | R | 79.5 | Confident | 77.6 | Confident | 68 Ų | 68 | 54.6 Ų | 54.6 | 26% | 0.257 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 171.1 | -71.3 | 179.7 | -130.2 | -179.6 | 4.4 | 112.5 | S1125 L1126 L1127 L1132 R1133 F1144 F1152 | S1125-R1129 VanDerWaalsContact O-CG 3.3Å; S1125-R1129 WeakPolarHBondContact O-CG 3.13Å; S1125-R1129 PolarHBondContact O-N 3.4Å; S1125-R1129 PolarHBondContact OG-NH2 3.06Å; L1126-R1129 WeakPolarHBondContact O-CB 3.4Å; L1126-R1129 PolarHBondContact O-N 3.35Å; L1127-R1129 VanDerWaalsContact C-N 3.26Å; L1127-R1129 PolarHBondContact O-N 3.28Å; R1129-L1132 WeakPolarHBondContact O-CB 3.32Å; R1129-L1132 PolarHBondContact O-N 3.2Å; R1129-R1133 WeakPolarHBondContact O-CG 3.35Å; R1129-R1133 PolarHBondContact O-N 2.79Å; R1129-F1144 HydrophobicContact CG-CE1 4.45Å; R1129-F1144 HydrophobicContact CG-CZ 3.97Å; R1129-F1152 HydrophobicContact CG-CD1 4.02Å; R1129-F1152 HydrophobicContact CG-CD2 4.31Å; R1129-F1152 HydrophobicContact CG-CG 3.97Å |
| 1130 | A | 76.5 | Confident | 78 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.5 | -45.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1102 L1108 L1126 L1127 A1128 L1132 R1133 N1134 | I1102-A1130 HydrophobicContact CB-CB 4.08Å; I1102-A1130 HydrophobicContact CD1-CB 3.68Å; I1102-A1130 HydrophobicContact CG1-CB 3.61Å; I1102-A1130 HydrophobicContact CG2-CB 3.28Å; L1108-A1130 HydrophobicContact CD2-CB 3.54Å; L1126-A1130 WeakPolarHBondContact O-CB 3.28Å; L1126-A1130 PolarHBondContact O-N 2.86Å; L1127-A1130 CarbonylContact O-C 3.01Å; L1127-A1130 WeakPolarHBondContact O-CA 3.26Å; L1127-A1130 VanDerWaalsContact O-CB 3.25Å; L1127-A1130 WeakPolarHBondContact O-CB 3.25Å; L1127-A1130 PolarHBondContact O-N 3.33Å; A1128-A1130 VanDerWaalsContact C-N 3.35Å; A1128-A1130 PolarHBondContact O-N 3.21Å; A1130-L1132 VanDerWaalsContact C-N 3.3Å; A1130-R1133 PolarHBondContact O-N 3.37Å; A1130-N1134 PolarHBondContact O-N 2.73Å; A1130-N1134 VanDerWaalsContact O-N 3.09Å |
| 1131 | Q | 81.5 | Confident | 78.3 | Confident | 9 Ų | 9 | 44.1 Ų | 44.1 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.1 | -41.2 | 176.1 | -71.4 | 173.8 | -37.7 | 0 | 0 | 110.7 | L1108 L1127 A1128 R1133 N1134 N1135 L1136 E1139 A1140 S1143 | L1108-Q1131 HydrophobicContact CD1-CG 4.48Å; L1127-Q1131 HydrophobicContact CD1-CG 4.13Å; L1127-Q1131 HydrophobicContact CG-CG 4.19Å; L1127-Q1131 WeakPolarHBondContact O-CB 3.13Å; L1127-Q1131 WeakPolarHBondContact O-CG 3.29Å; L1127-Q1131 PolarHBondContact O-N 3.37Å; A1128-Q1131 PolarHBondContact O-N 2.94Å; Q1131-R1133 VanDerWaalsContact C-N 3.35Å; Q1131-R1133 PolarHBondContact O-N 3.06Å; Q1131-N1134 CarbonylContact O-C 3.48Å; Q1131-N1134 PolarHBondContact O-N 3.09Å; Q1131-N1135 PolarHBondContact O-N 3.29Å; Q1131-L1136 HydrophobicContact CB-CB 4.26Å; Q1131-L1136 PolarHBondContact O-N 2.77Å; Q1131-E1139 PolarHBondContact OE1-O 2.94Å; Q1131-A1140 HydrophobicContact CB-CB 3.86Å; Q1131-S1143 VanDerWaalsContact OE1-CB 3.29Å; Q1131-S1143 PolarHBondContact OE1-OG 2.83Å |
| 1132 | L | 78.6 | Confident | 78.6 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61 | -43.9 | 175.3 | -161.4 | 87 | 0 | 0 | 0 | 111.4 | A1128 R1129 A1130 N1134 N1135 A1140 F1144 D1155 V1156 K1159 | A1128-L1132 VanDerWaalsContact O-CB 3.27Å; A1128-L1132 WeakPolarHBondContact O-CB 3.5Å; A1128-L1132 PolarHBondContact O-N 3.41Å; R1129-L1132 WeakPolarHBondContact O-CB 3.32Å; R1129-L1132 PolarHBondContact O-N 3.2Å; A1130-L1132 VanDerWaalsContact C-N 3.3Å; L1132-N1134 VanDerWaalsContact C-N 3.32Å; L1132-N1134 PolarHBondContact O-N 3.42Å; L1132-N1135 PolarHBondContact O-N 3.24Å; L1132-A1140 HydrophobicContact CB-CB 3.9Å; L1132-A1140 HydrophobicContact CD1-CB 3.76Å; L1132-A1140 HydrophobicContact CG-CB 4.48Å; L1132-F1144 HydrophobicContact CD1-CE2 4.39Å; L1132-D1155 HydrophobicContact CD2-CB 3.64Å; L1132-V1156 HydrophobicContact CD1-CB 4.43Å; L1132-V1156 HydrophobicContact CD1-CG2 4.08Å; L1132-V1156 HydrophobicContact CD2-CG2 4.22Å; L1132-K1159 HydrophobicContact CD1-CB 3.88Å; L1132-K1159 HydrophobicContact CD1-CG 4.28Å; L1132-K1159 HydrophobicContact CD2-CB 4.07Å; L1132-K1159 HydrophobicContact CG-CB 3.75Å; L1132-K1159 HydrophobicContact CG-CG 3.94Å; L1132-K1159 WeakPolarHBondContact O-CD 3.45Å; L1132-K1159 WeakPolarHBondContact O-CE 3.17Å; L1132-K1159 WeakPolarHBondContact O-CG 3.5Å |
| 1133 | R | 76 | Confident | 78.9 | Confident | 149 Ų | 149 | 38.9 Ų | 38.9 | 56% | 0.562 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -61.3 | -37.9 | 176.3 | -75.8 | 176.3 | -177.2 | 178.1 | 0 | 112.5 | D1103 R1129 A1130 Q1131 N1135 | D1103-R1133 IonicContact OD1-CZ 3.88Å; D1103-R1133 IonicContact OD1-NH1 3.72Å; D1103-R1133 PolarHBondContact OD1-NH1 2.71Å; D1103-R1133 IonicContact OD2-NH1 3.66Å; D1103-R1133 PolarHBondContact OD2-NH1 2.98Å; R1129-R1133 WeakPolarHBondContact O-CG 3.35Å; R1129-R1133 PolarHBondContact O-N 2.79Å; A1130-R1133 PolarHBondContact O-N 3.37Å; Q1131-R1133 VanDerWaalsContact C-N 3.35Å; Q1131-R1133 PolarHBondContact O-N 3.06Å; R1133-N1135 VanDerWaalsContact C-N 3.29Å; R1133-N1135 PolarHBondContact O-N 2.88Å |
| 1134 | N | 75 | Confident | 79.1 | Confident | 84 Ų | 84 | 38.9 Ų | 38.9 | 45% | 0.449 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 21.3 | 179 | -75.5 | -36.2 | 0 | 0 | 0 | 114.5 | L1108 A1130 Q1131 L1132 L1136 | L1108-N1134 HydrophobicContact CD1-CB 3.48Å; L1108-N1134 VanDerWaalsContact CD1-CB 3.48Å; L1108-N1134 WeakPolarHBondContact CD1-ND2 3.44Å; L1108-N1134 WeakPolarHBondContact CD2-ND2 3.3Å; L1108-N1134 WeakPolarHBondContact CG-ND2 3.49Å; A1130-N1134 PolarHBondContact O-N 2.73Å; A1130-N1134 VanDerWaalsContact O-N 3.09Å; Q1131-N1134 CarbonylContact O-C 3.48Å; Q1131-N1134 PolarHBondContact O-N 3.09Å; L1132-N1134 VanDerWaalsContact C-N 3.32Å; L1132-N1134 PolarHBondContact O-N 3.42Å; N1134-L1136 PolarHBondContact O-N 2.97Å; N1134-L1136 VanDerWaalsContact O-N 3.17Å |
| 1135 | N | 74.5 | Confident | 79.2 | Confident | 94 Ų | 94 | 41 Ų | 41 | 50% | 0.503 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 15.7 | 177.5 | -59.1 | -34.9 | 0 | 0 | 0 | 115.6 | Q1131 L1132 R1133 V1137 K1159 | Q1131-N1135 PolarHBondContact O-N 3.29Å; L1132-N1135 PolarHBondContact O-N 3.24Å; R1133-N1135 VanDerWaalsContact C-N 3.29Å; R1133-N1135 PolarHBondContact O-N 2.88Å; N1135-V1137 PolarHBondContact O-N 3.03Å; N1135-K1159 WeakPolarHBondContact OD1-CE 3.19Å; N1135-K1159 PolarHBondContact OD1-NZ 3.31Å |
| 1136 | L | 77.3 | Confident | 79 | Confident | 69 Ų | 69 | 46.8 Ų | 46.8 | 36% | 0.361 | 22% | 0.219 | S | C | . | . | trans | -84.1 | 66.9 | 173.3 | -64.4 | 172.2 | 0 | 0 | 0 | 108.8 | L1108 Q1131 N1134 E1139 A1140 | L1108-L1136 HydrophobicContact CD1-CD1 3.82Å; Q1131-L1136 HydrophobicContact CB-CB 4.26Å; Q1131-L1136 PolarHBondContact O-N 2.77Å; N1134-L1136 PolarHBondContact O-N 2.97Å; N1134-L1136 VanDerWaalsContact O-N 3.17Å; L1136-E1139 VanDerWaalsContact C-OE2 3.23Å; L1136-E1139 WeakPolarHBondContact CA-OE2 3.48Å; L1136-E1139 HydrophobicContact CB-CB 4.2Å; L1136-E1139 HydrophobicContact CB-CG 4.48Å; L1136-E1139 WeakPolarHBondContact CB-OE2 3.35Å; L1136-E1139 PolarHBondContact O-N 2.8Å; L1136-A1140 VanDerWaalsContact O-CB 3.23Å; L1136-A1140 WeakPolarHBondContact O-CB 3.49Å; L1136-A1140 PolarHBondContact O-N 2.93Å | ||
| 1137 | V | 77.3 | Confident | 79.1 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.6 | -39.9 | -164.8 | 179.1 | 0 | 0 | 0 | 0 | 112.1 | N1135 A1140 V1141 K1159 C1160 T1163 H1165 | N1135-V1137 PolarHBondContact O-N 3.03Å; V1137-A1140 PolarHBondContact O-N 3.36Å; V1137-V1141 HydrophobicContact CG1-CG2 4.48Å; V1137-V1141 WeakPolarHBondContact O-CB 3.27Å; V1137-V1141 VanDerWaalsContact O-CG2 3.29Å; V1137-V1141 WeakPolarHBondContact O-CG2 3.45Å; V1137-V1141 PolarHBondContact O-N 3.24Å; V1137-K1159 HydrophobicContact CG2-CG 4.05Å; V1137-C1160 WeakPolarHBondContact CG1-SG 3.36Å; V1137-T1163 HydrophobicContact CG2-CG2 3.92Å; V1137-H1165 HydrophobicContact CG1-CB 3.9Å |
| 1138 | K | 76.2 | Confident | 78.9 | Confident | 111 Ų | 111 | 51.5 Ų | 51.5 | 48% | 0.483 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.7 | -46.8 | 177.1 | -79.2 | -175.1 | 176.4 | -179.9 | 0 | 111.4 | A1140 V1141 D1142 D1168 | K1138-A1140 VanDerWaalsContact C-N 3.33Å; K1138-A1140 PolarHBondContact O-N 3.14Å; K1138-V1141 PolarHBondContact O-N 2.74Å; K1138-D1142 WeakPolarHBondContact O-CB 3.48Å; K1138-D1142 PolarHBondContact O-N 2.76Å; K1138-D1168 VanDerWaalsContact CE-OD2 3.31Å; K1138-D1168 WeakPolarHBondContact CE-OD2 3.06Å; K1138-D1168 WeakPolarHBondContact CG-OD2 3.3Å |
| 1139 | E | 79.1 | Confident | 78.5 | Confident | 92 Ų | 92 | 52.7 Ų | 52.7 | 43% | 0.43 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.9 | -39.9 | 178.7 | -60.7 | 79.1 | -179.5 | 0 | 0 | 111 | Q1131 L1136 D1142 S1143 | Q1131-E1139 PolarHBondContact OE1-O 2.94Å; L1136-E1139 VanDerWaalsContact C-OE2 3.23Å; L1136-E1139 WeakPolarHBondContact CA-OE2 3.48Å; L1136-E1139 HydrophobicContact CB-CB 4.2Å; L1136-E1139 HydrophobicContact CB-CG 4.48Å; L1136-E1139 WeakPolarHBondContact CB-OE2 3.35Å; L1136-E1139 PolarHBondContact O-N 2.8Å; E1139-D1142 PolarHBondContact O-N 2.96Å; E1139-S1143 WeakPolarHBondContact O-CB 3.33Å; E1139-S1143 PolarHBondContact O-N 3.46Å; E1139-S1143 PolarHBondContact O-OG 2.93Å |
| 1140 | A | 82.5 | Confident | 78.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.4 | -46.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1131 L1132 L1136 V1137 K1138 D1142 S1143 F1144 | Q1131-A1140 HydrophobicContact CB-CB 3.86Å; L1132-A1140 HydrophobicContact CB-CB 3.9Å; L1132-A1140 HydrophobicContact CD1-CB 3.76Å; L1132-A1140 HydrophobicContact CG-CB 4.48Å; L1136-A1140 VanDerWaalsContact O-CB 3.23Å; L1136-A1140 WeakPolarHBondContact O-CB 3.49Å; L1136-A1140 PolarHBondContact O-N 2.93Å; V1137-A1140 PolarHBondContact O-N 3.36Å; K1138-A1140 VanDerWaalsContact C-N 3.33Å; K1138-A1140 PolarHBondContact O-N 3.14Å; A1140-D1142 VanDerWaalsContact C-N 3.34Å; A1140-D1142 PolarHBondContact O-N 3Å; A1140-S1143 PolarHBondContact O-N 2.98Å; A1140-F1144 WeakPolarHBondContact O-CB 3.43Å; A1140-F1144 WeakPolarHBondContact O-CD2 3.22Å; A1140-F1144 PolarHBondContact O-N 2.64Å |
| 1141 | V | 82 | Confident | 78.2 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 177.3 | 168 | 0 | 0 | 0 | 0 | 110.6 | V1137 K1138 F1144 I1145 V1156 D1168 | V1137-V1141 HydrophobicContact CG1-CG2 4.48Å; V1137-V1141 WeakPolarHBondContact O-CB 3.27Å; V1137-V1141 VanDerWaalsContact O-CG2 3.29Å; V1137-V1141 WeakPolarHBondContact O-CG2 3.45Å; V1137-V1141 PolarHBondContact O-N 3.24Å; K1138-V1141 PolarHBondContact O-N 2.74Å; V1141-F1144 PolarHBondContact O-N 2.85Å; V1141-I1145 HydrophobicContact CG1-CD1 3.74Å; V1141-I1145 HydrophobicContact CG1-CG1 4.43Å; V1141-I1145 WeakPolarHBondContact O-CB 3.49Å; V1141-I1145 VanDerWaalsContact O-CG1 3.24Å; V1141-I1145 WeakPolarHBondContact O-CG1 3.33Å; V1141-I1145 PolarHBondContact O-N 2.86Å; V1141-V1156 HydrophobicContact CG2-CG1 4.16Å; V1141-D1168 HydrophobicContact CG1-CB 4.4Å; V1141-D1168 HydrophobicContact CG2-CB 4.34Å |
| 1142 | D | 81.9 | Confident | 78 | Confident | 81 Ų | 81 | 55.5 Ų | 55.5 | 43% | 0.433 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 175.8 | -73.5 | -20.8 | 0 | 0 | 0 | 111.9 | K1138 E1139 A1140 I1145 K1146 | K1138-D1142 WeakPolarHBondContact O-CB 3.48Å; K1138-D1142 PolarHBondContact O-N 2.76Å; E1139-D1142 PolarHBondContact O-N 2.96Å; A1140-D1142 VanDerWaalsContact C-N 3.34Å; A1140-D1142 PolarHBondContact O-N 3Å; D1142-I1145 PolarHBondContact O-N 3.29Å; D1142-K1146 WeakPolarHBondContact O-CG 3.39Å; D1142-K1146 PolarHBondContact O-N 3.5Å |
| 1143 | S | 81.1 | Confident | 78 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 3% | 0.028 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 175 | -68 | 0 | 0 | 0 | 0 | 112.4 | Q1131 E1139 A1140 K1146 A1147 | Q1131-S1143 VanDerWaalsContact OE1-CB 3.29Å; Q1131-S1143 PolarHBondContact OE1-OG 2.83Å; E1139-S1143 WeakPolarHBondContact O-CB 3.33Å; E1139-S1143 PolarHBondContact O-N 3.46Å; E1139-S1143 PolarHBondContact O-OG 2.93Å; A1140-S1143 PolarHBondContact O-N 2.98Å; S1143-K1146 PolarHBondContact O-N 2.88Å; S1143-A1147 WeakPolarHBondContact O-CB 3.25Å; S1143-A1147 PolarHBondContact O-N 2.9Å |
| 1144 | F | 83.2 | Confident | 78.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.5 | -39.4 | 174.2 | -83.1 | -58.7 | 0 | 0 | 0 | 112.5 | A1128 R1129 L1132 A1140 V1141 K1146 A1147 E1148 D1149 F1152 V1156 Y1172 | A1128-F1144 HydrophobicContact CB-CB 4.48Å; A1128-F1144 HydrophobicContact CB-CD1 3.65Å; A1128-F1144 HydrophobicContact CB-CD2 3.67Å; A1128-F1144 HydrophobicContact CB-CE1 3.63Å; A1128-F1144 HydrophobicContact CB-CE2 3.64Å; A1128-F1144 HydrophobicContact CB-CG 3.66Å; A1128-F1144 HydrophobicContact CB-CZ 3.62Å; R1129-F1144 HydrophobicContact CG-CE1 4.45Å; R1129-F1144 HydrophobicContact CG-CZ 3.97Å; L1132-F1144 HydrophobicContact CD1-CE2 4.39Å; A1140-F1144 WeakPolarHBondContact O-CB 3.43Å; A1140-F1144 WeakPolarHBondContact O-CD2 3.22Å; A1140-F1144 PolarHBondContact O-N 2.64Å; V1141-F1144 PolarHBondContact O-N 2.85Å; F1144-K1146 VanDerWaalsContact C-N 3.34Å; F1144-A1147 PolarHBondContact O-N 2.84Å; F1144-E1148 PolarHBondContact O-N 2.95Å; F1144-E1148 VanDerWaalsContact O-N 3.09Å; F1144-D1149 PolarHBondContact O-N 3.43Å; F1144-F1152 HydrophobicContact CE1-CB 3.77Å; F1144-F1152 HydrophobicContact CE1-CD2 4.03Å; F1144-F1152 HydrophobicContact CE1-CG 4.18Å; F1144-F1152 HydrophobicContact CZ-CB 3.75Å; F1144-F1152 HydrophobicContact CZ-CG 4.33Å; F1144-V1156 HydrophobicContact CD2-CG2 3.52Å; F1144-V1156 HydrophobicContact CE2-CG2 3.32Å; F1144-V1156 HydrophobicContact CG-CG2 4.36Å; F1144-V1156 HydrophobicContact CZ-CG2 4Å; F1144-Y1172 HydrophobicContact CB-CD2 4.03Å; F1144-Y1172 HydrophobicContact CB-CE2 3.69Å; F1144-Y1172 HydrophobicContact CD2-CE2 4.48Å; F1144-Y1172 HydrophobicContact CG-CE2 4.05Å |
| 1145 | I | 81.6 | Confident | 78.4 | Confident | 60 Ų | 60 | 52.3 Ų | 52.3 | 31% | 0.308 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 175.3 | -69.7 | 167.3 | 0 | 0 | 0 | 110.3 | V1141 D1142 E1148 M1175 | V1141-I1145 HydrophobicContact CG1-CD1 3.74Å; V1141-I1145 HydrophobicContact CG1-CG1 4.43Å; V1141-I1145 WeakPolarHBondContact O-CB 3.49Å; V1141-I1145 VanDerWaalsContact O-CG1 3.24Å; V1141-I1145 WeakPolarHBondContact O-CG1 3.33Å; V1141-I1145 PolarHBondContact O-N 2.86Å; D1142-I1145 PolarHBondContact O-N 3.29Å; I1145-E1148 PolarHBondContact O-N 2.9Å; I1145-E1148 VanDerWaalsContact O-N 3.13Å; I1145-M1175 HydrophobicContact CG1-CE 4.4Å |
| 1146 | K | 76.8 | Confident | 78.7 | Confident | 128 Ų | 128 | 47.8 Ų | 47.8 | 56% | 0.557 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -65.3 | -38.9 | 174.6 | -76.2 | 179.3 | -177.6 | 176.9 | 0 | 113.3 | D1142 S1143 F1144 E1148 | D1142-K1146 WeakPolarHBondContact O-CG 3.39Å; D1142-K1146 PolarHBondContact O-N 3.5Å; S1143-K1146 PolarHBondContact O-N 2.88Å; F1144-K1146 VanDerWaalsContact C-N 3.34Å; K1146-E1148 PolarHBondContact O-N 2.99Å |
| 1147 | A | 78.3 | Confident | 78.9 | Confident | 9 Ų | 9 | 45 Ų | 45 | 7% | 0.074 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.1 | -15.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1121 W1124 S1143 F1144 D1149 | S1121-A1147 PolarHBondContact OG-O 3.43Å; W1124-A1147 HydrophobicContact CB-CB 3.96Å; S1143-A1147 WeakPolarHBondContact O-CB 3.25Å; S1143-A1147 PolarHBondContact O-N 2.9Å; F1144-A1147 PolarHBondContact O-N 2.84Å; A1147-D1149 HydrophobicContact CB-CB 3.97Å; A1147-D1149 PolarHBondContact O-N 2.91Å |
| 1148 | E | 76.5 | Confident | 79 | Confident | 111 Ų | 111 | 50.1 Ų | 50.1 | 52% | 0.519 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.9 | 32.7 | -168.2 | -51.4 | -173.4 | 165.4 | 0 | 0 | 113.3 | F1144 I1145 K1146 P1150 K1179 | F1144-E1148 PolarHBondContact O-N 2.95Å; F1144-E1148 VanDerWaalsContact O-N 3.09Å; I1145-E1148 PolarHBondContact O-N 2.9Å; I1145-E1148 VanDerWaalsContact O-N 3.13Å; K1146-E1148 PolarHBondContact O-N 2.99Å; E1148-P1150 WeakPolarHBondContact O-CD 3.4Å; E1148-K1179 PolarHBondContact O-NZ 2.91Å; E1148-K1179 WeakPolarHBondContact OE2-CE 3.46Å; E1148-K1179 IonicContact OE2-NZ 2.9Å; E1148-K1179 PolarHBondContact OE2-NZ 3.12Å |
| 1149 | D | 73.7 | Confident | 79.1 | Confident | 25 Ų | 25 | 46.6 Ų | 46.6 | 13% | 0.134 | 24% | 0.239 | C | C | . | . | trans | -101.4 | 109.5 | -173.1 | -178.1 | 16.1 | 0 | 0 | 0 | 110.3 | S1125 F1144 A1147 S1151 | S1125-D1149 WeakPolarHBondContact CB-OD2 3.4Å; F1144-D1149 PolarHBondContact O-N 3.43Å; A1147-D1149 HydrophobicContact CB-CB 3.97Å; A1147-D1149 PolarHBondContact O-N 2.91Å; D1149-S1151 VanDerWaalsContact C-N 3.3Å; D1149-S1151 WeakPolarHBondContact OD1-CB 3.35Å; D1149-S1151 PolarHBondContact OD1-N 2.81Å; D1149-S1151 PolarHBondContact OD1-OG 2.8Å | ||
| 1150 | P | 73.2 | Confident | 79.1 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 11% | 0.11 | 22% | 0.218 | C | C | . | . | trans | -81 | -5.3 | 176 | 33.1 | -34.1 | 0 | 0 | 0 | 113.4 | E1148 F1152 Y1153 Y1172 A1176 K1179 T1180 | E1148-P1150 WeakPolarHBondContact O-CD 3.4Å; P1150-F1152 VanDerWaalsContact C-N 3.28Å; P1150-F1152 PolarHBondContact O-N 2.97Å; P1150-F1152 VanDerWaalsContact O-N 3.12Å; P1150-Y1153 VanDerWaalsContact O-CD1 3.3Å; P1150-Y1153 WeakPolarHBondContact O-CD1 3.25Å; P1150-Y1153 PolarHBondContact O-N 2.89Å; P1150-Y1172 PolarHBondContact O-OH 3.38Å; P1150-A1176 HydrophobicContact CB-CB 4.04Å; P1150-K1179 HydrophobicContact CG-CB 4.31Å; P1150-T1180 WeakPolarHBondContact CG-OG1 3.46Å | ||
| 1151 | S | 76.3 | Confident | 78.9 | Confident | 79 Ų | 79 | 43.9 Ų | 43.9 | 55% | 0.552 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -27.1 | -164.4 | -54.8 | 0 | 0 | 0 | 0 | 115.2 | D1149 | D1149-S1151 VanDerWaalsContact C-N 3.3Å; D1149-S1151 WeakPolarHBondContact OD1-CB 3.35Å; D1149-S1151 PolarHBondContact OD1-N 2.81Å; D1149-S1151 PolarHBondContact OD1-OG 2.8Å |
| 1152 | F | 77.3 | Confident | 78.6 | Confident | 42 Ų | 42 | 49 Ų | 49 | 18% | 0.184 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 27.5 | -175.3 | -66.1 | -80.3 | 0 | 0 | 0 | 113.6 | R1129 F1144 P1150 V1154 D1155 V1156 | R1129-F1152 HydrophobicContact CG-CD1 4.02Å; R1129-F1152 HydrophobicContact CG-CD2 4.31Å; R1129-F1152 HydrophobicContact CG-CG 3.97Å; F1144-F1152 HydrophobicContact CE1-CB 3.77Å; F1144-F1152 HydrophobicContact CE1-CD2 4.03Å; F1144-F1152 HydrophobicContact CE1-CG 4.18Å; F1144-F1152 HydrophobicContact CZ-CB 3.75Å; F1144-F1152 HydrophobicContact CZ-CG 4.33Å; P1150-F1152 VanDerWaalsContact C-N 3.28Å; P1150-F1152 PolarHBondContact O-N 2.97Å; P1150-F1152 VanDerWaalsContact O-N 3.12Å; F1152-V1154 PolarHBondContact O-N 2.85Å; F1152-V1154 VanDerWaalsContact O-N 3.13Å; F1152-D1155 PolarHBondContact O-N 2.81Å; F1152-V1156 WeakPolarHBondContact O-CG2 3.33Å; F1152-V1156 PolarHBondContact O-N 2.83Å; F1152-V1156 VanDerWaalsContact O-N 3.16Å |
| 1153 | Y | 78.7 | Confident | 78.5 | Confident | 24 Ų | 24 | 47.1 Ų | 47.1 | 9% | 0.094 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.2 | -31.8 | -173.1 | 67.1 | -99 | 0 | 0 | 0 | 113.6 | P1150 V1157 Y1172 E1182 I1184 I1185 | P1150-Y1153 VanDerWaalsContact O-CD1 3.3Å; P1150-Y1153 WeakPolarHBondContact O-CD1 3.25Å; P1150-Y1153 PolarHBondContact O-N 2.89Å; Y1153-V1157 WeakPolarHBondContact O-CB 3.16Å; Y1153-V1157 WeakPolarHBondContact O-CG2 3.28Å; Y1153-V1157 PolarHBondContact O-N 3.17Å; Y1153-Y1172 VanDerWaalsContact CA-OH 3.26Å; Y1153-Y1172 WeakPolarHBondContact CA-OH 3.36Å; Y1153-Y1172 PolarHBondContact N-OH 3.47Å; Y1153-E1182 WeakPolarHBondContact CE1-OE2 3.41Å; Y1153-E1182 PolarHBondContact OH-OE2 3.44Å; Y1153-I1184 HydrophobicContact CD2-CB 4.49Å; Y1153-I1184 HydrophobicContact CD2-CG2 4.12Å; Y1153-I1184 HydrophobicContact CE2-CB 3.6Å; Y1153-I1184 HydrophobicContact CE2-CD1 4.18Å; Y1153-I1184 HydrophobicContact CE2-CG1 4.5Å; Y1153-I1184 HydrophobicContact CE2-CG2 3.51Å; Y1153-I1184 WeakPolarHBondContact OH-CD1 3.39Å; Y1153-I1185 HydrophobicContact CD1-CD1 4Å; Y1153-I1185 HydrophobicContact CD1-CG1 3.97Å; Y1153-I1185 HydrophobicContact CD2-CG1 3.85Å; Y1153-I1185 HydrophobicContact CE1-CD1 4.37Å; Y1153-I1185 HydrophobicContact CE1-CG1 4.33Å; Y1153-I1185 HydrophobicContact CE2-CG1 4.27Å; Y1153-I1185 HydrophobicContact CG-CD1 4.2Å; Y1153-I1185 HydrophobicContact CG-CG1 3.72Å |
| 1154 | V | 80.9 | Confident | 78.2 | Confident | 75 Ų | 75 | 52.2 Ų | 52.2 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.4 | -49.8 | 178.6 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | F1152 V1156 V1157 Q1158 | F1152-V1154 PolarHBondContact O-N 2.85Å; F1152-V1154 VanDerWaalsContact O-N 3.13Å; V1154-V1156 VanDerWaalsContact C-N 3.32Å; V1154-V1156 PolarHBondContact O-N 2.77Å; V1154-V1157 PolarHBondContact O-N 2.85Å; V1154-Q1158 PolarHBondContact O-N 2.79Å |
| 1155 | D | 78.8 | Confident | 78.1 | Confident | 74 Ų | 74 | 55.1 Ų | 55.1 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | -179.5 | -65.7 | -28.6 | 0 | 0 | 0 | 110.3 | L1132 F1152 Q1158 K1159 | L1132-D1155 HydrophobicContact CD2-CB 3.64Å; F1152-D1155 PolarHBondContact O-N 2.81Å; D1155-Q1158 PolarHBondContact O-N 3.25Å; D1155-K1159 WeakPolarHBondContact O-CB 3.47Å; D1155-K1159 PolarHBondContact O-N 3.25Å |
| 1156 | V | 81.1 | Confident | 78 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 179.4 | 178.6 | 0 | 0 | 0 | 0 | 111 | L1132 V1141 F1144 F1152 V1154 Q1158 K1159 C1160 L1169 Y1172 | L1132-V1156 HydrophobicContact CD1-CB 4.43Å; L1132-V1156 HydrophobicContact CD1-CG2 4.08Å; L1132-V1156 HydrophobicContact CD2-CG2 4.22Å; V1141-V1156 HydrophobicContact CG2-CG1 4.16Å; F1144-V1156 HydrophobicContact CD2-CG2 3.52Å; F1144-V1156 HydrophobicContact CE2-CG2 3.32Å; F1144-V1156 HydrophobicContact CG-CG2 4.36Å; F1144-V1156 HydrophobicContact CZ-CG2 4Å; F1152-V1156 WeakPolarHBondContact O-CG2 3.33Å; F1152-V1156 PolarHBondContact O-N 2.83Å; F1152-V1156 VanDerWaalsContact O-N 3.16Å; V1154-V1156 VanDerWaalsContact C-N 3.32Å; V1154-V1156 PolarHBondContact O-N 2.77Å; V1156-Q1158 PolarHBondContact O-N 2.84Å; V1156-K1159 PolarHBondContact O-N 3.12Å; V1156-C1160 VanDerWaalsContact O-CB 3.27Å; V1156-C1160 WeakPolarHBondContact O-CB 3.12Å; V1156-C1160 PolarHBondContact O-N 3.42Å; V1156-C1160 PolarHBondContact O-SG 2.94Å; V1156-L1169 HydrophobicContact CG1-CD1 4.22Å; V1156-Y1172 HydrophobicContact CB-CD1 4.1Å; V1156-Y1172 HydrophobicContact CB-CE1 3.82Å; V1156-Y1172 HydrophobicContact CG1-CD1 3.6Å; V1156-Y1172 HydrophobicContact CG1-CD2 4.26Å; V1156-Y1172 HydrophobicContact CG1-CE1 3.86Å; V1156-Y1172 HydrophobicContact CG1-CE2 4.48Å; V1156-Y1172 HydrophobicContact CG1-CG 3.82Å; V1156-Y1172 HydrophobicContact CG2-CE1 4.16Å; V1156-Y1172 HydrophobicContact CG2-CE2 4.25Å |
| 1157 | V | 81.2 | Confident | 78.2 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57 | -50.2 | 174.3 | 165 | 0 | 0 | 0 | 0 | 110.6 | Y1153 V1154 K1159 C1160 T1161 L1169 L1173 E1188 | Y1153-V1157 WeakPolarHBondContact O-CB 3.16Å; Y1153-V1157 WeakPolarHBondContact O-CG2 3.28Å; Y1153-V1157 PolarHBondContact O-N 3.17Å; V1154-V1157 PolarHBondContact O-N 2.85Å; V1157-K1159 PolarHBondContact O-N 3.33Å; V1157-C1160 PolarHBondContact O-N 3.26Å; V1157-T1161 VanDerWaalsContact O-CB 3.28Å; V1157-T1161 WeakPolarHBondContact O-CB 3.14Å; V1157-T1161 PolarHBondContact O-N 3.23Å; V1157-T1161 PolarHBondContact O-OG1 3.37Å; V1157-L1169 HydrophobicContact CB-CD1 4.39Å; V1157-L1169 HydrophobicContact CG2-CD1 3.84Å; V1157-L1169 HydrophobicContact CG2-CD2 4.49Å; V1157-L1173 HydrophobicContact CG2-CD1 4.48Å; V1157-L1173 HydrophobicContact CG2-CD2 3.94Å; V1157-E1188 HydrophobicContact CB-CG 4.47Å; V1157-E1188 HydrophobicContact CG1-CB 4.07Å; V1157-E1188 HydrophobicContact CG1-CG 3.64Å; V1157-E1188 VanDerWaalsContact CG1-OE2 3.24Å; V1157-E1188 WeakPolarHBondContact CG1-OE2 3.37Å; V1157-E1188 HydrophobicContact CG2-CB 3.89Å; V1157-E1188 HydrophobicContact CG2-CG 4.06Å |
| 1158 | Q | 79.8 | Confident | 78.2 | Confident | 109 Ų | 109 | 53.2 Ų | 53.2 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | -177.3 | -175.9 | 176.1 | -12.5 | 0 | 0 | 111.1 | V1154 D1155 V1156 T1161 E1162 | V1154-Q1158 PolarHBondContact O-N 2.79Å; D1155-Q1158 PolarHBondContact O-N 3.25Å; V1156-Q1158 PolarHBondContact O-N 2.84Å; Q1158-T1161 WeakPolarHBondContact O-CB 3.27Å; Q1158-T1161 PolarHBondContact O-N 2.91Å; Q1158-E1162 PolarHBondContact NE2-OE1 3.02Å; Q1158-E1162 WeakPolarHBondContact O-CG 3.46Å; Q1158-E1162 PolarHBondContact O-N 3.28Å |
| 1159 | K | 78 | Confident | 78.5 | Confident | 38 Ų | 38 | 47.9 Ų | 47.9 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68 | -40.2 | -179 | -152.3 | 77.8 | -166.2 | 151.1 | 0 | 113.2 | L1132 N1135 V1137 D1155 V1156 V1157 T1161 E1162 T1163 | L1132-K1159 HydrophobicContact CD1-CB 3.88Å; L1132-K1159 HydrophobicContact CD1-CG 4.28Å; L1132-K1159 HydrophobicContact CD2-CB 4.07Å; L1132-K1159 HydrophobicContact CG-CB 3.75Å; L1132-K1159 HydrophobicContact CG-CG 3.94Å; L1132-K1159 WeakPolarHBondContact O-CD 3.45Å; L1132-K1159 WeakPolarHBondContact O-CE 3.17Å; L1132-K1159 WeakPolarHBondContact O-CG 3.5Å; N1135-K1159 WeakPolarHBondContact OD1-CE 3.19Å; N1135-K1159 PolarHBondContact OD1-NZ 3.31Å; V1137-K1159 HydrophobicContact CG2-CG 4.05Å; D1155-K1159 WeakPolarHBondContact O-CB 3.47Å; D1155-K1159 PolarHBondContact O-N 3.25Å; V1156-K1159 PolarHBondContact O-N 3.12Å; V1157-K1159 PolarHBondContact O-N 3.33Å; K1159-T1161 VanDerWaalsContact C-N 3.26Å; K1159-T1161 PolarHBondContact O-N 3.42Å; K1159-E1162 IonicContact NZ-OE2 2.67Å; K1159-E1162 PolarHBondContact NZ-OE2 2.8Å; K1159-E1162 PolarHBondContact O-N 3.16Å; K1159-T1163 WeakPolarHBondContact O-CB 3.45Å; K1159-T1163 WeakPolarHBondContact O-CG2 3.2Å; K1159-T1163 PolarHBondContact O-N 3.2Å; K1159-T1163 PolarHBondContact O-OG1 2.98Å |
| 1160 | C | 79.2 | Confident | 79 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -34.5 | 173.8 | -66.5 | 0 | 0 | 0 | 0 | 111.3 | V1137 V1156 V1157 D1164 H1165 L1169 | V1137-C1160 WeakPolarHBondContact CG1-SG 3.36Å; V1156-C1160 VanDerWaalsContact O-CB 3.27Å; V1156-C1160 WeakPolarHBondContact O-CB 3.12Å; V1156-C1160 PolarHBondContact O-N 3.42Å; V1156-C1160 PolarHBondContact O-SG 2.94Å; V1157-C1160 PolarHBondContact O-N 3.26Å; C1160-D1164 CarbonylContact O-C 3.58Å; C1160-D1164 WeakPolarHBondContact O-CA 3.36Å; C1160-D1164 PolarHBondContact O-N 3.23Å; C1160-H1165 PolarHBondContact O-N 3.33Å; C1160-L1169 HydrophobicContact CB-CB 3.8Å; C1160-L1169 HydrophobicContact CB-CD1 4.09Å; C1160-L1169 HydrophobicContact CB-CD2 4.03Å; C1160-L1169 HydrophobicContact CB-CG 4.18Å |
| 1161 | T | 77.7 | Confident | 79.5 | Confident | 35 Ų | 35 | 52.1 Ų | 52.1 | 22% | 0.215 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 174.1 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | V1157 Q1158 K1159 T1163 W1166 | V1157-T1161 VanDerWaalsContact O-CB 3.28Å; V1157-T1161 WeakPolarHBondContact O-CB 3.14Å; V1157-T1161 PolarHBondContact O-N 3.23Å; V1157-T1161 PolarHBondContact O-OG1 3.37Å; Q1158-T1161 WeakPolarHBondContact O-CB 3.27Å; Q1158-T1161 PolarHBondContact O-N 2.91Å; K1159-T1161 VanDerWaalsContact C-N 3.26Å; K1159-T1161 PolarHBondContact O-N 3.42Å; T1161-T1163 VanDerWaalsContact C-N 3.3Å; T1161-T1163 PolarHBondContact O-N 3.05Å; T1161-W1166 HydrophobicContact CG2-CH2 3.7Å; T1161-W1166 HydrophobicContact CG2-CZ2 3.91Å; T1161-W1166 WeakPolarHBondContact OG1-CH2 3.33Å |
| 1162 | E | 76.5 | Confident | 79.8 | Confident | 109 Ų | 109 | 48.4 Ų | 48.4 | 51% | 0.509 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.8 | -34.3 | 179.1 | -75.8 | 172.5 | -170 | 0 | 0 | 112.9 | Q1158 K1159 | Q1158-E1162 PolarHBondContact NE2-OE1 3.02Å; Q1158-E1162 WeakPolarHBondContact O-CG 3.46Å; Q1158-E1162 PolarHBondContact O-N 3.28Å; K1159-E1162 IonicContact NZ-OE2 2.67Å; K1159-E1162 PolarHBondContact NZ-OE2 2.8Å; K1159-E1162 PolarHBondContact O-N 3.16Å |
| 1163 | T | 77.9 | Confident | 80.2 | Confident | 41 Ų | 41 | 46.4 Ų | 46.4 | 25% | 0.252 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 4.5 | -174.7 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | V1137 K1159 T1161 H1165 | V1137-T1163 HydrophobicContact CG2-CG2 3.92Å; K1159-T1163 WeakPolarHBondContact O-CB 3.45Å; K1159-T1163 WeakPolarHBondContact O-CG2 3.2Å; K1159-T1163 PolarHBondContact O-N 3.2Å; K1159-T1163 PolarHBondContact O-OG1 2.98Å; T1161-T1163 VanDerWaalsContact C-N 3.3Å; T1161-T1163 PolarHBondContact O-N 3.05Å; T1163-H1165 VanDerWaalsContact C-N 3.26Å; T1163-H1165 WeakPolarHBondContact CB-ND1 3.19Å; T1163-H1165 PolarHBondContact O-CE1 3.45Å; T1163-H1165 PolarHBondContact O-N 2.95Å; T1163-H1165 PolarHBondContact O-ND1 3.38Å; T1163-H1165 PolarHBondContact OG1-ND1 2.75Å |
| 1164 | D | 76.4 | Confident | 80.3 | Confident | 111 Ų | 111 | 49.7 Ų | 49.7 | 59% | 0.594 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56 | 28 | -176.9 | -86.3 | -33.7 | 0 | 0 | 0 | 115.6 | C1160 W1166 | C1160-D1164 CarbonylContact O-C 3.58Å; C1160-D1164 WeakPolarHBondContact O-CA 3.36Å; C1160-D1164 PolarHBondContact O-N 3.23Å; D1164-W1166 VanDerWaalsContact C-N 3.28Å; D1164-W1166 PolarHBondContact O-N 3.47Å; D1164-W1166 PolarHBondContact OD1-NE1 3.26Å |
| 1165 | H | 80 | Confident | 80.4 | Confident | 60 Ų | 60 | 47.8 Ų | 47.8 | 28% | 0.278 | 23% | 0.229 | S | C | . | . | trans | -85.6 | 57.8 | 177.2 | -70.3 | 86.7 | 0 | 0 | 0 | 112.8 | V1137 C1160 T1163 E1167 D1168 L1169 | V1137-H1165 HydrophobicContact CG1-CB 3.9Å; C1160-H1165 PolarHBondContact O-N 3.33Å; T1163-H1165 VanDerWaalsContact C-N 3.26Å; T1163-H1165 WeakPolarHBondContact CB-ND1 3.19Å; T1163-H1165 PolarHBondContact O-CE1 3.45Å; T1163-H1165 PolarHBondContact O-N 2.95Å; T1163-H1165 PolarHBondContact O-ND1 3.38Å; T1163-H1165 PolarHBondContact OG1-ND1 2.75Å; H1165-E1167 PolarHBondContact O-N 3.25Å; H1165-D1168 IonicContact CD2-OD2 2.63Å; H1165-D1168 PolarHBondContact O-N 3.36Å; H1165-L1169 PolarHBondContact O-N 2.81Å | ||
| 1166 | W | 80.3 | Confident | 80.5 | Confident | 21 Ų | 21 | 44.2 Ų | 44.2 | 8% | 0.08 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67 | -32.7 | -173.8 | -61.5 | 99.7 | 0 | 0 | 0 | 114.3 | T1161 D1164 L1169 V1170 Y1191 A1192 K1195 T1196 | T1161-W1166 HydrophobicContact CG2-CH2 3.7Å; T1161-W1166 HydrophobicContact CG2-CZ2 3.91Å; T1161-W1166 WeakPolarHBondContact OG1-CH2 3.33Å; D1164-W1166 VanDerWaalsContact C-N 3.28Å; D1164-W1166 PolarHBondContact O-N 3.47Å; D1164-W1166 PolarHBondContact OD1-NE1 3.26Å; W1166-L1169 HydrophobicContact CE3-CD2 3.93Å; W1166-L1169 HydrophobicContact CZ3-CD2 3.89Å; W1166-L1169 PolarHBondContact O-N 3.47Å; W1166-V1170 WeakPolarHBondContact O-CG2 3.37Å; W1166-V1170 PolarHBondContact O-N 3.04Å; W1166-Y1191 AromaticContact CH2-CD1 3.85Å; W1166-Y1191 HydrophobicContact CH2-CD1 3.85Å; W1166-Y1191 AromaticContact CH2-CE1 3.57Å; W1166-Y1191 HydrophobicContact CH2-CE1 3.57Å; W1166-Y1191 HydrophobicContact CZ2-CE1 4.31Å; W1166-Y1191 AromaticContact CZ3-CD1 3.89Å; W1166-Y1191 HydrophobicContact CZ3-CD1 3.89Å; W1166-Y1191 HydrophobicContact CZ3-CE1 4.09Å; W1166-A1192 HydrophobicContact CE3-CB 4Å; W1166-A1192 HydrophobicContact CZ3-CB 4.44Å; W1166-K1195 HydrophobicContact CD2-CB 3.72Å; W1166-K1195 HydrophobicContact CD2-CD 4.46Å; W1166-K1195 HydrophobicContact CD2-CG 4.09Å; W1166-K1195 HydrophobicContact CE3-CB 4.01Å; W1166-K1195 HydrophobicContact CE3-CG 4.27Å; W1166-K1195 HydrophobicContact CG-CB 4.05Å; W1166-K1195 HydrophobicContact CH2-CG 4.1Å; W1166-K1195 HydrophobicContact CZ2-CB 4.43Å; W1166-K1195 HydrophobicContact CZ2-CD 3.83Å; W1166-K1195 HydrophobicContact CZ2-CG 3.87Å; W1166-K1195 HydrophobicContact CZ3-CB 4.49Å; W1166-K1195 HydrophobicContact CZ3-CG 4.28Å; W1166-T1196 HydrophobicContact CB-CG2 3.46Å; W1166-T1196 VanDerWaalsContact CB-CG2 3.46Å; W1166-T1196 HydrophobicContact CG-CG2 4.49Å |
| 1167 | E | 80 | Confident | 80.4 | Confident | 125 Ų | 125 | 48.9 Ų | 48.9 | 58% | 0.584 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -68.8 | -37.7 | 179.5 | -65.2 | -164.3 | 147.6 | 0 | 0 | 113 | H1165 L1169 V1170 R1171 | H1165-E1167 PolarHBondContact O-N 3.25Å; E1167-L1169 VanDerWaalsContact C-N 3.35Å; E1167-V1170 PolarHBondContact O-N 3.08Å; E1167-R1171 PolarHBondContact O-N 3.31Å |
| 1168 | D | 79.7 | Confident | 80.3 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 6% | 0.059 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.9 | -36.9 | 176.8 | -60.7 | -43 | 0 | 0 | 0 | 110.1 | K1138 V1141 H1165 V1170 R1171 Y1172 | K1138-D1168 VanDerWaalsContact CE-OD2 3.31Å; K1138-D1168 WeakPolarHBondContact CE-OD2 3.06Å; K1138-D1168 WeakPolarHBondContact CG-OD2 3.3Å; V1141-D1168 HydrophobicContact CG1-CB 4.4Å; V1141-D1168 HydrophobicContact CG2-CB 4.34Å; H1165-D1168 IonicContact CD2-OD2 2.63Å; H1165-D1168 PolarHBondContact O-N 3.36Å; D1168-V1170 PolarHBondContact O-N 3.37Å; D1168-R1171 WeakPolarHBondContact O-CB 3.31Å; D1168-R1171 PolarHBondContact O-N 3.21Å; D1168-R1171 IonicContact OD1-CZ 2.66Å; D1168-R1171 IonicContact OD1-NE 3.67Å; D1168-R1171 IonicContact OD1-NH2 3.51Å; D1168-R1171 PolarHBondContact OD1-NH2 2.91Å; D1168-Y1172 PolarHBondContact O-N 3.49Å |
| 1169 | L | 82.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 173.7 | -175.1 | 59.8 | 0 | 0 | 0 | 112.6 | V1156 V1157 C1160 H1165 W1166 E1167 R1171 Y1172 L1173 A1192 | V1156-L1169 HydrophobicContact CG1-CD1 4.22Å; V1157-L1169 HydrophobicContact CB-CD1 4.39Å; V1157-L1169 HydrophobicContact CG2-CD1 3.84Å; V1157-L1169 HydrophobicContact CG2-CD2 4.49Å; C1160-L1169 HydrophobicContact CB-CB 3.8Å; C1160-L1169 HydrophobicContact CB-CD1 4.09Å; C1160-L1169 HydrophobicContact CB-CD2 4.03Å; C1160-L1169 HydrophobicContact CB-CG 4.18Å; H1165-L1169 PolarHBondContact O-N 2.81Å; W1166-L1169 HydrophobicContact CE3-CD2 3.93Å; W1166-L1169 HydrophobicContact CZ3-CD2 3.89Å; W1166-L1169 PolarHBondContact O-N 3.47Å; E1167-L1169 VanDerWaalsContact C-N 3.35Å; L1169-R1171 VanDerWaalsContact C-N 3.27Å; L1169-R1171 PolarHBondContact O-N 3.4Å; L1169-Y1172 HydrophobicContact CD1-CD1 4.39Å; L1169-Y1172 PolarHBondContact O-N 2.82Å; L1169-L1173 HydrophobicContact CD1-CD1 3.96Å; L1169-L1173 HydrophobicContact CD1-CD2 4.41Å; L1169-L1173 HydrophobicContact CD1-CG 3.88Å; L1169-L1173 HydrophobicContact CD2-CD1 4.25Å; L1169-L1173 HydrophobicContact CG-CD1 3.73Å; L1169-L1173 HydrophobicContact CG-CG 4.1Å; L1169-L1173 WeakPolarHBondContact O-CB 2.94Å; L1169-L1173 WeakPolarHBondContact O-CG 3.15Å; L1169-L1173 PolarHBondContact O-N 3.42Å; L1169-A1192 HydrophobicContact CD2-CB 4.36Å |
| 1170 | V | 83 | Confident | 79.5 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.024 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.8 | -41 | 176.3 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | W1166 E1167 D1168 Q1174 L1189 A1192 F1193 | W1166-V1170 WeakPolarHBondContact O-CG2 3.37Å; W1166-V1170 PolarHBondContact O-N 3.04Å; E1167-V1170 PolarHBondContact O-N 3.08Å; D1168-V1170 PolarHBondContact O-N 3.37Å; V1170-Q1174 HydrophobicContact CG1-CG 4.43Å; V1170-Q1174 WeakPolarHBondContact O-CB 3.4Å; V1170-Q1174 VanDerWaalsContact O-CG 3.24Å; V1170-Q1174 WeakPolarHBondContact O-CG 3.18Å; V1170-Q1174 PolarHBondContact O-N 2.95Å; V1170-L1189 HydrophobicContact CG1-CD1 4.44Å; V1170-A1192 HydrophobicContact CG2-CB 3.92Å; V1170-F1193 HydrophobicContact CG1-CE1 4.06Å |
| 1171 | R | 83.9 | Confident | 79 | Confident | 127 Ų | 127 | 67.4 Ų | 67.4 | 48% | 0.479 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 176.6 | -72.1 | -171.8 | -95.3 | 170.9 | -9.9 | 112 | E1167 D1168 L1169 M1175 | E1167-R1171 PolarHBondContact O-N 3.31Å; D1168-R1171 WeakPolarHBondContact O-CB 3.31Å; D1168-R1171 PolarHBondContact O-N 3.21Å; D1168-R1171 IonicContact OD1-CZ 2.66Å; D1168-R1171 IonicContact OD1-NE 3.67Å; D1168-R1171 IonicContact OD1-NH2 3.51Å; D1168-R1171 PolarHBondContact OD1-NH2 2.91Å; L1169-R1171 VanDerWaalsContact C-N 3.27Å; L1169-R1171 PolarHBondContact O-N 3.4Å; R1171-M1175 PolarHBondContact O-N 3.12Å |
| 1172 | Y | 83.8 | Confident | 79 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.9 | -47.6 | 177.2 | 176.5 | -97.9 | 0 | 0 | 0 | 112.2 | F1144 P1150 Y1153 V1156 D1168 L1169 Q1174 M1175 A1176 | F1144-Y1172 HydrophobicContact CB-CD2 4.03Å; F1144-Y1172 HydrophobicContact CB-CE2 3.69Å; F1144-Y1172 HydrophobicContact CD2-CE2 4.48Å; F1144-Y1172 HydrophobicContact CG-CE2 4.05Å; P1150-Y1172 PolarHBondContact O-OH 3.38Å; Y1153-Y1172 VanDerWaalsContact CA-OH 3.26Å; Y1153-Y1172 WeakPolarHBondContact CA-OH 3.36Å; Y1153-Y1172 PolarHBondContact N-OH 3.47Å; V1156-Y1172 HydrophobicContact CB-CD1 4.1Å; V1156-Y1172 HydrophobicContact CB-CE1 3.82Å; V1156-Y1172 HydrophobicContact CG1-CD1 3.6Å; V1156-Y1172 HydrophobicContact CG1-CD2 4.26Å; V1156-Y1172 HydrophobicContact CG1-CE1 3.86Å; V1156-Y1172 HydrophobicContact CG1-CE2 4.48Å; V1156-Y1172 HydrophobicContact CG1-CG 3.82Å; V1156-Y1172 HydrophobicContact CG2-CE1 4.16Å; V1156-Y1172 HydrophobicContact CG2-CE2 4.25Å; D1168-Y1172 PolarHBondContact O-N 3.49Å; L1169-Y1172 HydrophobicContact CD1-CD1 4.39Å; L1169-Y1172 PolarHBondContact O-N 2.82Å; Y1172-Q1174 PolarHBondContact O-N 3.29Å; Y1172-M1175 HydrophobicContact CD2-CE 3.72Å; Y1172-M1175 HydrophobicContact CE2-CE 3.64Å; Y1172-M1175 WeakPolarHBondContact O-CB 3.3Å; Y1172-M1175 PolarHBondContact O-N 2.72Å; Y1172-A1176 PolarHBondContact O-N 2.88Å |
| 1173 | L | 84.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.4 | -34.1 | -178.3 | -68.7 | 176.1 | 0 | 0 | 0 | 112.7 | V1157 L1169 M1175 A1176 R1177 I1185 E1188 L1189 | V1157-L1173 HydrophobicContact CG2-CD1 4.48Å; V1157-L1173 HydrophobicContact CG2-CD2 3.94Å; L1169-L1173 HydrophobicContact CD1-CD1 3.96Å; L1169-L1173 HydrophobicContact CD1-CD2 4.41Å; L1169-L1173 HydrophobicContact CD1-CG 3.88Å; L1169-L1173 HydrophobicContact CD2-CD1 4.25Å; L1169-L1173 HydrophobicContact CG-CD1 3.73Å; L1169-L1173 HydrophobicContact CG-CG 4.1Å; L1169-L1173 WeakPolarHBondContact O-CB 2.94Å; L1169-L1173 WeakPolarHBondContact O-CG 3.15Å; L1169-L1173 PolarHBondContact O-N 3.42Å; L1173-M1175 VanDerWaalsContact C-N 3.34Å; L1173-A1176 PolarHBondContact O-N 3.39Å; L1173-R1177 WeakPolarHBondContact O-CB 3.36Å; L1173-R1177 PolarHBondContact O-N 2.82Å; L1173-I1185 HydrophobicContact CB-CG2 4.45Å; L1173-I1185 HydrophobicContact CD2-CG2 3.95Å; L1173-E1188 HydrophobicContact CD1-CB 4.13Å; L1173-L1189 HydrophobicContact CB-CB 4.3Å; L1173-L1189 HydrophobicContact CB-CD1 3.97Å; L1173-L1189 HydrophobicContact CD1-CB 4.05Å; L1173-L1189 HydrophobicContact CD1-CD1 4.41Å |
| 1174 | Q | 82.7 | Confident | 79.4 | Confident | 94 Ų | 94 | 67.8 Ų | 67.8 | 44% | 0.439 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.1 | -36.5 | 172 | -75.9 | 179.3 | -6.5 | 0 | 0 | 112.6 | V1170 Y1172 | V1170-Q1174 HydrophobicContact CG1-CG 4.43Å; V1170-Q1174 WeakPolarHBondContact O-CB 3.4Å; V1170-Q1174 VanDerWaalsContact O-CG 3.24Å; V1170-Q1174 WeakPolarHBondContact O-CG 3.18Å; V1170-Q1174 PolarHBondContact O-N 2.95Å; Y1172-Q1174 PolarHBondContact O-N 3.29Å |
| 1175 | M | 81.7 | Confident | 79.7 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 17% | 0.167 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.6 | -49 | 171.5 | 176.2 | -79.6 | -66.4 | 0 | 0 | 110.5 | I1145 R1171 Y1172 L1173 R1177 K1178 | I1145-M1175 HydrophobicContact CG1-CE 4.4Å; R1171-M1175 PolarHBondContact O-N 3.12Å; Y1172-M1175 HydrophobicContact CD2-CE 3.72Å; Y1172-M1175 HydrophobicContact CE2-CE 3.64Å; Y1172-M1175 WeakPolarHBondContact O-CB 3.3Å; Y1172-M1175 PolarHBondContact O-N 2.72Å; L1173-M1175 VanDerWaalsContact C-N 3.34Å; M1175-R1177 VanDerWaalsContact C-N 3.35Å; M1175-R1177 PolarHBondContact O-N 3.3Å; M1175-K1178 PolarHBondContact O-N 3.09Å; M1175-K1178 VanDerWaalsContact O-N 3.13Å |
| 1176 | A | 80.9 | Confident | 80 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.6 | -41.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1150 Y1172 L1173 K1178 K1179 T1180 I1185 | P1150-A1176 HydrophobicContact CB-CB 4.04Å; Y1172-A1176 PolarHBondContact O-N 2.88Å; L1173-A1176 PolarHBondContact O-N 3.39Å; A1176-K1178 VanDerWaalsContact C-N 3.26Å; A1176-K1178 PolarHBondContact O-N 3.39Å; A1176-K1179 PolarHBondContact O-N 3.38Å; A1176-K1179 VanDerWaalsContact O-N 3.17Å; A1176-T1180 PolarHBondContact O-N 3.01Å; A1176-I1185 HydrophobicContact CB-CD1 3.92Å; A1176-I1185 HydrophobicContact CB-CG1 4.5Å; A1176-I1185 HydrophobicContact CB-CG2 4.06Å |
| 1177 | R | 79.3 | Confident | 80.3 | Confident | 97 Ų | 97 | 59.3 Ų | 59.3 | 37% | 0.366 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.8 | -30.7 | 177.3 | -173.2 | -178 | -179.9 | -144.6 | 1.1 | 113.7 | L1173 M1175 K1179 I1185 E1186 F1205 | L1173-R1177 WeakPolarHBondContact O-CB 3.36Å; L1173-R1177 PolarHBondContact O-N 2.82Å; M1175-R1177 VanDerWaalsContact C-N 3.35Å; M1175-R1177 PolarHBondContact O-N 3.3Å; R1177-K1179 VanDerWaalsContact C-N 3.34Å; R1177-I1185 HydrophobicContact CB-CG2 4.33Å; R1177-E1186 IonicContact CZ-OE1 3.31Å; R1177-E1186 IonicContact NE-OE1 3.62Å; R1177-E1186 PolarHBondContact NE-OE1 2.9Å; R1177-E1186 IonicContact NH2-OE1 2.9Å; R1177-F1205 VanDerWaalsContact CZ-CE2 3.48Å |
| 1178 | K | 78.9 | Confident | 80.5 | Confident | 188 Ų | 188 | 54.8 Ų | 54.8 | 82% | 0.817 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -69.7 | -31.6 | 179.5 | -71.8 | 179.3 | -176.3 | 176.7 | 0 | 112.4 | M1175 A1176 | M1175-K1178 PolarHBondContact O-N 3.09Å; M1175-K1178 VanDerWaalsContact O-N 3.13Å; A1176-K1178 VanDerWaalsContact C-N 3.26Å; A1176-K1178 PolarHBondContact O-N 3.39Å |
| 1179 | K | 72.4 | Confident | 80.7 | Confident | 120 Ų | 120 | 54.4 Ų | 54.4 | 52% | 0.522 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -95.8 | -39.5 | 179.9 | -75.7 | -162 | 176.8 | -178.5 | 0 | 113 | E1148 P1150 A1176 R1177 | E1148-K1179 PolarHBondContact O-NZ 2.91Å; E1148-K1179 WeakPolarHBondContact OE2-CE 3.46Å; E1148-K1179 IonicContact OE2-NZ 2.9Å; E1148-K1179 PolarHBondContact OE2-NZ 3.12Å; P1150-K1179 HydrophobicContact CG-CB 4.31Å; A1176-K1179 PolarHBondContact O-N 3.38Å; A1176-K1179 VanDerWaalsContact O-N 3.17Å; R1177-K1179 VanDerWaalsContact C-N 3.34Å |
| 1180 | T | 68.6 | Low | 80.9 | Confident | 39 Ų | 39 | 54.4 Ų | 54.4 | 24% | 0.239 | 24% | 0.241 | C | C | . | . | trans | -128.8 | 118.3 | -171.8 | -50 | 0 | 0 | 0 | 0 | 109.7 | P1150 A1176 E1182 I1185 | P1150-T1180 WeakPolarHBondContact CG-OG1 3.46Å; A1176-T1180 PolarHBondContact O-N 3.01Å; T1180-E1182 VanDerWaalsContact C-N 3.31Å; T1180-E1182 HydrophobicContact CG2-CB 4.09Å; T1180-E1182 HydrophobicContact CG2-CG 3.67Å; T1180-E1182 WeakPolarHBondContact CG2-OE1 3.46Å; T1180-E1182 PolarHBondContact O-N 3.35Å; T1180-I1185 HydrophobicContact CG2-CD1 4.47Å | ||
| 1181 | R | 69 | Low | 81 | Confident | 199 Ų | 199 | 54.8 Ų | 54.8 | 75% | 0.751 | 24% | 0.242 | S | C | * | . | trans | -89.8 | 67.8 | 173.8 | -70 | -171.6 | -177.2 | -176.6 | 0.7 | 110.3 | ||||
| 1182 | E | 76.8 | Confident | 81 | Confident | 82 Ų | 82 | 48.7 Ų | 48.7 | 38% | 0.383 | 22% | 0.219 | S | C | . | . | trans | -98.3 | 143.2 | 175 | -88 | -178.3 | -142.3 | 0 | 0 | 111.9 | Y1153 T1180 I1184 I1185 E1186 | Y1153-E1182 WeakPolarHBondContact CE1-OE2 3.41Å; Y1153-E1182 PolarHBondContact OH-OE2 3.44Å; T1180-E1182 VanDerWaalsContact C-N 3.31Å; T1180-E1182 HydrophobicContact CG2-CB 4.09Å; T1180-E1182 HydrophobicContact CG2-CG 3.67Å; T1180-E1182 WeakPolarHBondContact CG2-OE1 3.46Å; T1180-E1182 PolarHBondContact O-N 3.35Å; E1182-I1184 VanDerWaalsContact C-N 3.32Å; E1182-I1184 PolarHBondContact O-N 3.34Å; E1182-I1185 HydrophobicContact CB-CD1 4.05Å; E1182-I1185 HydrophobicContact CB-CG1 4.33Å; E1182-I1185 PolarHBondContact O-N 3.22Å; E1182-E1186 PolarHBondContact O-N 3.44Å | ||
| 1183 | S | 82.2 | Confident | 81.1 | Confident | 35 Ų | 35 | 49.2 Ų | 49.2 | 25% | 0.245 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61 | -38.1 | -175.8 | -178.5 | 0 | 0 | 0 | 0 | 112.6 | E1186 T1187 H1211 | S1183-E1186 PolarHBondContact O-N 3.16Å; S1183-T1187 WeakPolarHBondContact O-CB 3.35Å; S1183-T1187 PolarHBondContact O-N 3.34Å; S1183-T1187 PolarHBondContact O-OG1 3.32Å; S1183-H1211 WeakPolarHBondContact CA-O 3.47Å; S1183-H1211 VanDerWaalsContact CB-O 3.26Å; S1183-H1211 WeakPolarHBondContact CB-O 3.49Å; S1183-H1211 PolarHBondContact OG-O 2.93Å |
| 1184 | I | 81.4 | Confident | 81 | Confident | 76 Ų | 76 | 49.6 Ų | 49.6 | 39% | 0.39 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.5 | -39.8 | -177.6 | -62.1 | 161.3 | 0 | 0 | 0 | 111.3 | Y1153 E1182 E1186 T1187 E1188 | Y1153-I1184 HydrophobicContact CD2-CB 4.49Å; Y1153-I1184 HydrophobicContact CD2-CG2 4.12Å; Y1153-I1184 HydrophobicContact CE2-CB 3.6Å; Y1153-I1184 HydrophobicContact CE2-CD1 4.18Å; Y1153-I1184 HydrophobicContact CE2-CG1 4.5Å; Y1153-I1184 HydrophobicContact CE2-CG2 3.51Å; Y1153-I1184 WeakPolarHBondContact OH-CD1 3.39Å; E1182-I1184 VanDerWaalsContact C-N 3.32Å; E1182-I1184 PolarHBondContact O-N 3.34Å; I1184-E1186 VanDerWaalsContact C-N 3.33Å; I1184-E1186 PolarHBondContact O-N 3.49Å; I1184-T1187 WeakPolarHBondContact O-CB 3.46Å; I1184-T1187 PolarHBondContact O-N 3.33Å; I1184-E1188 HydrophobicContact CG2-CG 4.27Å; I1184-E1188 PolarHBondContact O-N 3.15Å |
| 1185 | I | 82.9 | Confident | 80.8 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.2 | -47.5 | 177.3 | -62.1 | 171 | 0 | 0 | 0 | 110 | Y1153 L1173 A1176 R1177 T1180 E1182 L1189 | Y1153-I1185 HydrophobicContact CD1-CD1 4Å; Y1153-I1185 HydrophobicContact CD1-CG1 3.97Å; Y1153-I1185 HydrophobicContact CD2-CG1 3.85Å; Y1153-I1185 HydrophobicContact CE1-CD1 4.37Å; Y1153-I1185 HydrophobicContact CE1-CG1 4.33Å; Y1153-I1185 HydrophobicContact CE2-CG1 4.27Å; Y1153-I1185 HydrophobicContact CG-CD1 4.2Å; Y1153-I1185 HydrophobicContact CG-CG1 3.72Å; L1173-I1185 HydrophobicContact CB-CG2 4.45Å; L1173-I1185 HydrophobicContact CD2-CG2 3.95Å; A1176-I1185 HydrophobicContact CB-CD1 3.92Å; A1176-I1185 HydrophobicContact CB-CG1 4.5Å; A1176-I1185 HydrophobicContact CB-CG2 4.06Å; R1177-I1185 HydrophobicContact CB-CG2 4.33Å; T1180-I1185 HydrophobicContact CG2-CD1 4.47Å; E1182-I1185 HydrophobicContact CB-CD1 4.05Å; E1182-I1185 HydrophobicContact CB-CG1 4.33Å; E1182-I1185 PolarHBondContact O-N 3.22Å; I1185-L1189 WeakPolarHBondContact O-CB 3.42Å; I1185-L1189 PolarHBondContact O-N 3.05Å |
| 1186 | E | 86.6 | Confident | 80.8 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 2% | 0.023 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.2 | -35.6 | 179 | -66.2 | -165.4 | 151.2 | 0 | 0 | 111.8 | R1177 E1182 S1183 I1184 L1189 V1190 F1205 H1211 A1212 | R1177-E1186 IonicContact CZ-OE1 3.31Å; R1177-E1186 IonicContact NE-OE1 3.62Å; R1177-E1186 PolarHBondContact NE-OE1 2.9Å; R1177-E1186 IonicContact NH2-OE1 2.9Å; E1182-E1186 PolarHBondContact O-N 3.44Å; S1183-E1186 PolarHBondContact O-N 3.16Å; I1184-E1186 VanDerWaalsContact C-N 3.33Å; I1184-E1186 PolarHBondContact O-N 3.49Å; E1186-L1189 PolarHBondContact O-N 3.47Å; E1186-V1190 VanDerWaalsContact O-CG2 3.28Å; E1186-V1190 WeakPolarHBondContact O-CG2 3.49Å; E1186-V1190 PolarHBondContact O-N 3.14Å; E1186-V1190 VanDerWaalsContact O-N 3.12Å; E1186-F1205 HydrophobicContact CB-CE1 4.4Å; E1186-F1205 HydrophobicContact CB-CZ 3.89Å; E1186-F1205 HydrophobicContact CG-CZ 4.02Å; E1186-H1211 WeakPolarHBondContact OE2-CA 3.23Å; E1186-H1211 PolarHBondContact OE2-N 3.5Å; E1186-H1211 IonicContact OE2-ND1 3.59Å; E1186-A1212 HydrophobicContact CB-CB 3.97Å |
| 1187 | T | 86.3 | Confident | 80.8 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.7 | -49.1 | 176.7 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | S1183 I1184 L1189 V1190 Y1191 Q1213 V1217 | S1183-T1187 WeakPolarHBondContact O-CB 3.35Å; S1183-T1187 PolarHBondContact O-N 3.34Å; S1183-T1187 PolarHBondContact O-OG1 3.32Å; I1184-T1187 WeakPolarHBondContact O-CB 3.46Å; I1184-T1187 PolarHBondContact O-N 3.33Å; T1187-L1189 VanDerWaalsContact C-N 3.34Å; T1187-V1190 PolarHBondContact O-N 3Å; T1187-Y1191 PolarHBondContact O-N 3.39Å; T1187-Q1213 HydrophobicContact CG2-CB 4.07Å; T1187-Q1213 PolarHBondContact OG1-N 2.89Å; T1187-V1217 HydrophobicContact CG2-CG2 3.41Å; T1187-V1217 VanDerWaalsContact CG2-CG2 3.41Å; T1187-V1217 VanDerWaalsContact O-CG2 3.23Å; T1187-V1217 WeakPolarHBondContact O-CG2 3.08Å |
| 1188 | E | 84.3 | Confident | 80.9 | Confident | 30 Ų | 30 | 54 Ų | 54 | 14% | 0.14 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -73.7 | -28.1 | 179.7 | -68.8 | -65.8 | 143.2 | 0 | 0 | 112.2 | V1157 L1173 I1184 Y1191 A1192 R1220 | V1157-E1188 HydrophobicContact CB-CG 4.47Å; V1157-E1188 HydrophobicContact CG1-CB 4.07Å; V1157-E1188 HydrophobicContact CG1-CG 3.64Å; V1157-E1188 VanDerWaalsContact CG1-OE2 3.24Å; V1157-E1188 WeakPolarHBondContact CG1-OE2 3.37Å; V1157-E1188 HydrophobicContact CG2-CB 3.89Å; V1157-E1188 HydrophobicContact CG2-CG 4.06Å; L1173-E1188 HydrophobicContact CD1-CB 4.13Å; I1184-E1188 HydrophobicContact CG2-CG 4.27Å; I1184-E1188 PolarHBondContact O-N 3.15Å; E1188-Y1191 PolarHBondContact O-N 3.05Å; E1188-A1192 VanDerWaalsContact O-CB 3.31Å; E1188-A1192 WeakPolarHBondContact O-CB 3.48Å; E1188-A1192 PolarHBondContact O-N 3.32Å; E1188-R1220 IonicContact OE1-NH1 2.75Å; E1188-R1220 PolarHBondContact OE1-NH1 3.43Å; E1188-R1220 IonicContact OE2-CZ 3.5Å; E1188-R1220 IonicContact OE2-NH1 2.64Å; E1188-R1220 PolarHBondContact OE2-NH1 2.93Å |
| 1189 | L | 84 | Confident | 81 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.2 | -42.3 | 173 | -179.6 | 62.5 | 0 | 0 | 0 | 111.1 | V1170 L1173 I1185 E1186 T1187 Y1191 A1192 F1193 F1205 | V1170-L1189 HydrophobicContact CG1-CD1 4.44Å; L1173-L1189 HydrophobicContact CB-CB 4.3Å; L1173-L1189 HydrophobicContact CB-CD1 3.97Å; L1173-L1189 HydrophobicContact CD1-CB 4.05Å; L1173-L1189 HydrophobicContact CD1-CD1 4.41Å; I1185-L1189 WeakPolarHBondContact O-CB 3.42Å; I1185-L1189 PolarHBondContact O-N 3.05Å; E1186-L1189 PolarHBondContact O-N 3.47Å; T1187-L1189 VanDerWaalsContact C-N 3.34Å; L1189-Y1191 VanDerWaalsContact C-N 3.34Å; L1189-A1192 PolarHBondContact O-N 2.72Å; L1189-F1193 HydrophobicContact CD1-CD2 4.48Å; L1189-F1193 HydrophobicContact CD1-CE1 4.33Å; L1189-F1193 HydrophobicContact CD1-CE2 3.91Å; L1189-F1193 HydrophobicContact CD1-CZ 3.82Å; L1189-F1193 HydrophobicContact CD2-CE2 4.15Å; L1189-F1193 HydrophobicContact CD2-CZ 4.47Å; L1189-F1193 HydrophobicContact CG-CD2 4.2Å; L1189-F1193 HydrophobicContact CG-CE2 3.66Å; L1189-F1193 HydrophobicContact CG-CZ 4.07Å; L1189-F1193 VanDerWaalsContact O-CD2 3.28Å; L1189-F1193 WeakPolarHBondContact O-CD2 3.47Å; L1189-F1193 WeakPolarHBondContact O-CG 3.45Å; L1189-F1193 PolarHBondContact O-N 3.49Å; L1189-F1205 HydrophobicContact CD2-CE2 3.94Å; L1189-F1205 HydrophobicContact CD2-CZ 4.37Å |
| 1190 | V | 85.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 174.3 | 177.1 | 0 | 0 | 0 | 0 | 110.6 | E1186 T1187 F1193 A1194 M1202 F1205 I1206 A1212 V1217 L1233 | E1186-V1190 VanDerWaalsContact O-CG2 3.28Å; E1186-V1190 WeakPolarHBondContact O-CG2 3.49Å; E1186-V1190 PolarHBondContact O-N 3.14Å; E1186-V1190 VanDerWaalsContact O-N 3.12Å; T1187-V1190 PolarHBondContact O-N 3Å; V1190-F1193 PolarHBondContact O-N 3.26Å; V1190-A1194 PolarHBondContact O-N 3.36Å; V1190-A1194 VanDerWaalsContact O-N 3.1Å; V1190-M1202 HydrophobicContact CG1-CG 3.88Å; V1190-M1202 HydrophobicContact CG1-SD 4.19Å; V1190-F1205 HydrophobicContact CG2-CD1 3.37Å; V1190-F1205 HydrophobicContact CG2-CE1 3.33Å; V1190-F1205 HydrophobicContact CG2-CG 4.47Å; V1190-F1205 HydrophobicContact CG2-CZ 4.4Å; V1190-I1206 HydrophobicContact CG1-CD1 4.07Å; V1190-I1206 HydrophobicContact CG1-CG1 4.26Å; V1190-I1206 HydrophobicContact CG2-CG1 4.38Å; V1190-A1212 HydrophobicContact CG2-CB 4.15Å; V1190-V1217 HydrophobicContact CB-CG1 4.36Å; V1190-V1217 HydrophobicContact CB-CG2 4.41Å; V1190-V1217 HydrophobicContact CG1-CB 4.43Å; V1190-V1217 HydrophobicContact CG1-CG1 3.91Å; V1190-V1217 HydrophobicContact CG1-CG2 4.49Å; V1190-L1233 HydrophobicContact CG1-CD2 3.54Å |
| 1191 | Y | 85 | Confident | 82 | Confident | 12 Ų | 12 | 46.6 Ų | 46.6 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.6 | -40.1 | 176.7 | -171 | -111.5 | 0 | 0 | 0 | 112.6 | W1166 T1187 E1188 L1189 F1193 A1194 K1195 V1217 R1220 | W1166-Y1191 AromaticContact CH2-CD1 3.85Å; W1166-Y1191 HydrophobicContact CH2-CD1 3.85Å; W1166-Y1191 AromaticContact CH2-CE1 3.57Å; W1166-Y1191 HydrophobicContact CH2-CE1 3.57Å; W1166-Y1191 HydrophobicContact CZ2-CE1 4.31Å; W1166-Y1191 AromaticContact CZ3-CD1 3.89Å; W1166-Y1191 HydrophobicContact CZ3-CD1 3.89Å; W1166-Y1191 HydrophobicContact CZ3-CE1 4.09Å; T1187-Y1191 PolarHBondContact O-N 3.39Å; E1188-Y1191 PolarHBondContact O-N 3.05Å; L1189-Y1191 VanDerWaalsContact C-N 3.34Å; Y1191-F1193 VanDerWaalsContact C-N 3.34Å; Y1191-F1193 PolarHBondContact O-N 3.47Å; Y1191-A1194 WeakPolarHBondContact O-CB 3.09Å; Y1191-A1194 PolarHBondContact O-N 2.91Å; Y1191-A1194 VanDerWaalsContact O-N 3.17Å; Y1191-K1195 HydrophobicContact CD1-CG 4.29Å; Y1191-K1195 HydrophobicContact CE1-CG 3.87Å; Y1191-K1195 PolarHBondContact O-N 3.46Å; Y1191-K1195 WeakPolarHBondContact OH-CE 3.44Å; Y1191-V1217 HydrophobicContact CD2-CG1 3.94Å; Y1191-V1217 HydrophobicContact CG-CG1 4.35Å; Y1191-R1220 HydrophobicContact CD2-CB 4.31Å; Y1191-R1220 HydrophobicContact CD2-CG 4.21Å; Y1191-R1220 HydrophobicContact CE2-CB 3.97Å; Y1191-R1220 HydrophobicContact CE2-CG 3.58Å |
| 1192 | A | 84 | Confident | 82.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.8 | -36.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | W1166 L1169 V1170 E1188 L1189 K1195 T1196 | W1166-A1192 HydrophobicContact CE3-CB 4Å; W1166-A1192 HydrophobicContact CZ3-CB 4.44Å; L1169-A1192 HydrophobicContact CD2-CB 4.36Å; V1170-A1192 HydrophobicContact CG2-CB 3.92Å; E1188-A1192 VanDerWaalsContact O-CB 3.31Å; E1188-A1192 WeakPolarHBondContact O-CB 3.48Å; E1188-A1192 PolarHBondContact O-N 3.32Å; L1189-A1192 PolarHBondContact O-N 2.72Å; A1192-K1195 PolarHBondContact O-N 3.36Å; A1192-T1196 WeakPolarHBondContact O-CB 3.29Å; A1192-T1196 WeakPolarHBondContact O-CG2 3.27Å; A1192-T1196 PolarHBondContact O-N 3.13Å; A1192-T1196 PolarHBondContact O-OG1 3.45Å |
| 1193 | F | 85.5 | Confident | 82.8 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 170.8 | -70.8 | -43.9 | 0 | 0 | 0 | 112.2 | V1170 L1189 V1190 Y1191 T1196 N1197 R1198 D1201 M1202 | V1170-F1193 HydrophobicContact CG1-CE1 4.06Å; L1189-F1193 HydrophobicContact CD1-CD2 4.48Å; L1189-F1193 HydrophobicContact CD1-CE1 4.33Å; L1189-F1193 HydrophobicContact CD1-CE2 3.91Å; L1189-F1193 HydrophobicContact CD1-CZ 3.82Å; L1189-F1193 HydrophobicContact CD2-CE2 4.15Å; L1189-F1193 HydrophobicContact CD2-CZ 4.47Å; L1189-F1193 HydrophobicContact CG-CD2 4.2Å; L1189-F1193 HydrophobicContact CG-CE2 3.66Å; L1189-F1193 HydrophobicContact CG-CZ 4.07Å; L1189-F1193 VanDerWaalsContact O-CD2 3.28Å; L1189-F1193 WeakPolarHBondContact O-CD2 3.47Å; L1189-F1193 WeakPolarHBondContact O-CG 3.45Å; L1189-F1193 PolarHBondContact O-N 3.49Å; V1190-F1193 PolarHBondContact O-N 3.26Å; Y1191-F1193 VanDerWaalsContact C-N 3.34Å; Y1191-F1193 PolarHBondContact O-N 3.47Å; F1193-T1196 PolarHBondContact O-N 2.88Å; F1193-T1196 PolarHBondContact O-OG1 2.84Å; F1193-N1197 PolarHBondContact O-N 3.38Å; F1193-R1198 HydrophobicContact CB-CB 4.49Å; F1193-R1198 HydrophobicContact CD1-CB 4.15Å; F1193-R1198 PolarHBondContact O-N 2.9Å; F1193-D1201 HydrophobicContact CD1-CB 4.23Å; F1193-D1201 HydrophobicContact CE1-CB 4.18Å; F1193-D1201 HydrophobicContact CZ-CB 4.4Å; F1193-M1202 HydrophobicContact CB-CB 3.91Å; F1193-M1202 HydrophobicContact CB-CG 4.31Å |
| 1194 | A | 82.9 | Confident | 82.8 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 7% | 0.066 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | V1190 Y1191 N1197 M1202 A1229 | V1190-A1194 PolarHBondContact O-N 3.36Å; V1190-A1194 VanDerWaalsContact O-N 3.1Å; Y1191-A1194 WeakPolarHBondContact O-CB 3.09Å; Y1191-A1194 PolarHBondContact O-N 2.91Å; Y1191-A1194 VanDerWaalsContact O-N 3.17Å; A1194-N1197 PolarHBondContact O-N 2.83Å; A1194-M1202 HydrophobicContact CB-SD 3.91Å; A1194-A1229 HydrophobicContact CB-CB 3.72Å |
| 1195 | K | 78.9 | Confident | 82.8 | Confident | 68 Ų | 68 | 41.2 Ų | 41.2 | 30% | 0.296 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66 | -35.7 | 179 | -83.7 | -85.1 | 170.3 | 176.8 | 0 | 113.9 | W1166 Y1191 A1192 N1197 M1226 | W1166-K1195 HydrophobicContact CD2-CB 3.72Å; W1166-K1195 HydrophobicContact CD2-CD 4.46Å; W1166-K1195 HydrophobicContact CD2-CG 4.09Å; W1166-K1195 HydrophobicContact CE3-CB 4.01Å; W1166-K1195 HydrophobicContact CE3-CG 4.27Å; W1166-K1195 HydrophobicContact CG-CB 4.05Å; W1166-K1195 HydrophobicContact CH2-CG 4.1Å; W1166-K1195 HydrophobicContact CZ2-CB 4.43Å; W1166-K1195 HydrophobicContact CZ2-CD 3.83Å; W1166-K1195 HydrophobicContact CZ2-CG 3.87Å; W1166-K1195 HydrophobicContact CZ3-CB 4.49Å; W1166-K1195 HydrophobicContact CZ3-CG 4.28Å; Y1191-K1195 HydrophobicContact CD1-CG 4.29Å; Y1191-K1195 HydrophobicContact CE1-CG 3.87Å; Y1191-K1195 PolarHBondContact O-N 3.46Å; Y1191-K1195 WeakPolarHBondContact OH-CE 3.44Å; A1192-K1195 PolarHBondContact O-N 3.36Å; K1195-N1197 PolarHBondContact O-N 3.47Å; K1195-M1226 HydrophobicContact CD-CE 3.61Å; K1195-M1226 HydrophobicContact CD-SD 4.14Å; K1195-M1226 HydrophobicContact CG-CE 4.43Å; K1195-M1226 HydrophobicContact CG-SD 4.35Å; K1195-M1226 VanDerWaalsContact NZ-CE 3.29Å |
| 1196 | T | 81.7 | Confident | 82.9 | Confident | 34 Ų | 34 | 41.5 Ų | 41.5 | 21% | 0.209 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 5.9 | 176.1 | 54 | 0 | 0 | 0 | 0 | 113.4 | W1166 A1192 F1193 R1198 | W1166-T1196 HydrophobicContact CB-CG2 3.46Å; W1166-T1196 VanDerWaalsContact CB-CG2 3.46Å; W1166-T1196 HydrophobicContact CG-CG2 4.49Å; A1192-T1196 WeakPolarHBondContact O-CB 3.29Å; A1192-T1196 WeakPolarHBondContact O-CG2 3.27Å; A1192-T1196 PolarHBondContact O-N 3.13Å; A1192-T1196 PolarHBondContact O-OG1 3.45Å; F1193-T1196 PolarHBondContact O-N 2.88Å; F1193-T1196 PolarHBondContact O-OG1 2.84Å; T1196-R1198 PolarHBondContact O-N 3.18Å |
| 1197 | N | 80.4 | Confident | 82.6 | Confident | 122 Ų | 122 | 46.1 Ų | 46.1 | 65% | 0.652 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 29.2 | -177.6 | -159.8 | 31 | 0 | 0 | 0 | 114 | F1193 A1194 K1195 L1199 | F1193-N1197 PolarHBondContact O-N 3.38Å; A1194-N1197 PolarHBondContact O-N 2.83Å; K1195-N1197 PolarHBondContact O-N 3.47Å; N1197-L1199 VanDerWaalsContact C-N 3.28Å; N1197-L1199 PolarHBondContact O-N 3.02Å |
| 1198 | R | 81.3 | Confident | 82.3 | Confident | 93 Ų | 93 | 47 Ų | 47 | 35% | 0.351 | 25% | 0.252 | S | S | . | . | trans | -90.7 | 62.2 | 175.1 | -63.2 | -173.1 | -172.3 | -177.5 | 4.8 | 110.2 | F1193 T1196 A1200 D1201 M1202 | F1193-R1198 HydrophobicContact CB-CB 4.49Å; F1193-R1198 HydrophobicContact CD1-CB 4.15Å; F1193-R1198 PolarHBondContact O-N 2.9Å; T1196-R1198 PolarHBondContact O-N 3.18Å; R1198-A1200 VanDerWaalsContact C-N 3.34Å; R1198-A1200 PolarHBondContact O-N 3.05Å; R1198-D1201 HydrophobicContact CB-CB 4.23Å; R1198-D1201 WeakPolarHBondContact CD-OD2 3.32Å; R1198-D1201 PolarHBondContact O-N 3.24Å; R1198-M1202 PolarHBondContact O-N 2.96Å; R1198-M1202 VanDerWaalsContact O-N 3.09Å | ||
| 1199 | L | 80.4 | Confident | 81.8 | Confident | 50 Ų | 50 | 51.8 Ų | 51.8 | 26% | 0.262 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.8 | -33 | -172.3 | -58.2 | 179.5 | 0 | 0 | 0 | 113.3 | N1197 M1202 E1203 A1229 I1232 | N1197-L1199 VanDerWaalsContact C-N 3.28Å; N1197-L1199 PolarHBondContact O-N 3.02Å; L1199-M1202 HydrophobicContact CD2-CE 4.08Å; L1199-M1202 WeakPolarHBondContact O-CB 3.37Å; L1199-M1202 PolarHBondContact O-N 3.41Å; L1199-E1203 WeakPolarHBondContact O-CB 3.48Å; L1199-E1203 PolarHBondContact O-N 2.85Å; L1199-A1229 HydrophobicContact CD2-CB 4.09Å; L1199-I1232 HydrophobicContact CB-CD1 4.22Å |
| 1200 | A | 81 | Confident | 81.6 | Confident | 71 Ų | 71 | 53.7 Ų | 53.7 | 59% | 0.587 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67.1 | -45.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R1198 M1202 E1203 E1204 | R1198-A1200 VanDerWaalsContact C-N 3.34Å; R1198-A1200 PolarHBondContact O-N 3.05Å; A1200-M1202 PolarHBondContact O-N 2.73Å; A1200-E1203 PolarHBondContact O-N 3.46Å; A1200-E1204 PolarHBondContact O-N 3.23Å |
| 1201 | D | 81.5 | Confident | 81.3 | Confident | 71 Ų | 71 | 59.1 Ų | 59.1 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.9 | -37.6 | 175.8 | -61.3 | -14.6 | 0 | 0 | 0 | 110.7 | F1193 R1198 F1205 | F1193-D1201 HydrophobicContact CD1-CB 4.23Å; F1193-D1201 HydrophobicContact CE1-CB 4.18Å; F1193-D1201 HydrophobicContact CZ-CB 4.4Å; R1198-D1201 HydrophobicContact CB-CB 4.23Å; R1198-D1201 WeakPolarHBondContact CD-OD2 3.32Å; R1198-D1201 PolarHBondContact O-N 3.24Å; D1201-F1205 WeakPolarHBondContact O-CB 3.13Å; D1201-F1205 PolarHBondContact O-N 3.32Å |
| 1202 | M | 82.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 175.2 | -168.2 | -174.3 | 67 | 0 | 0 | 111.6 | V1190 F1193 A1194 R1198 L1199 A1200 F1205 I1206 A1229 I1232 L1233 | V1190-M1202 HydrophobicContact CG1-CG 3.88Å; V1190-M1202 HydrophobicContact CG1-SD 4.19Å; F1193-M1202 HydrophobicContact CB-CB 3.91Å; F1193-M1202 HydrophobicContact CB-CG 4.31Å; A1194-M1202 HydrophobicContact CB-SD 3.91Å; R1198-M1202 PolarHBondContact O-N 2.96Å; R1198-M1202 VanDerWaalsContact O-N 3.09Å; L1199-M1202 HydrophobicContact CD2-CE 4.08Å; L1199-M1202 WeakPolarHBondContact O-CB 3.37Å; L1199-M1202 PolarHBondContact O-N 3.41Å; A1200-M1202 PolarHBondContact O-N 2.73Å; M1202-F1205 PolarHBondContact O-N 2.96Å; M1202-I1206 HydrophobicContact CG-CD1 3.71Å; M1202-I1206 VanDerWaalsContact O-CD1 3.29Å; M1202-I1206 WeakPolarHBondContact O-CD1 3.31Å; M1202-I1206 WeakPolarHBondContact O-CG1 3.14Å; M1202-I1206 PolarHBondContact O-N 2.87Å; M1202-I1206 HydrophobicContact SD-CD1 4.49Å; M1202-A1229 HydrophobicContact CE-CB 4.2Å; M1202-A1229 HydrophobicContact SD-CB 4.49Å; M1202-I1232 HydrophobicContact CE-CB 3.8Å; M1202-I1232 HydrophobicContact CE-CD1 3.75Å; M1202-I1232 HydrophobicContact CE-CG1 4.36Å; M1202-I1232 HydrophobicContact CE-CG2 3.84Å; M1202-L1233 HydrophobicContact CE-CG 4.46Å; M1202-L1233 HydrophobicContact SD-CD1 4.47Å; M1202-L1233 HydrophobicContact SD-CD2 4.3Å; M1202-L1233 HydrophobicContact SD-CG 4.39Å |
| 1203 | E | 80.5 | Confident | 81 | Confident | 109 Ų | 109 | 63 Ų | 63 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 179.7 | -171.3 | 173 | -164.2 | 0 | 0 | 112 | L1199 A1200 F1205 I1206 T1207 I1232 | L1199-E1203 WeakPolarHBondContact O-CB 3.48Å; L1199-E1203 PolarHBondContact O-N 2.85Å; A1200-E1203 PolarHBondContact O-N 3.46Å; E1203-F1205 VanDerWaalsContact C-N 3.32Å; E1203-F1205 PolarHBondContact O-N 2.92Å; E1203-I1206 PolarHBondContact O-N 3.21Å; E1203-T1207 WeakPolarHBondContact O-CB 3.48Å; E1203-T1207 VanDerWaalsContact O-CG2 3.3Å; E1203-T1207 WeakPolarHBondContact O-CG2 2.97Å; E1203-T1207 PolarHBondContact O-N 2.89Å; E1203-T1207 PolarHBondContact O-OG1 3.38Å; E1203-I1232 HydrophobicContact CB-CG2 4.32Å; E1203-I1232 HydrophobicContact CG-CG2 4.36Å |
| 1204 | E | 81.6 | Confident | 81 | Confident | 146 Ų | 146 | 63 Ų | 63 | 68% | 0.682 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.4 | -40.5 | 173.7 | -170.6 | 178.5 | 176.1 | 0 | 0 | 111.3 | A1200 T1207 G1208 | A1200-E1204 PolarHBondContact O-N 3.23Å; E1204-T1207 WeakPolarHBondContact CA-OG1 3.42Å; E1204-T1207 PolarHBondContact O-OG1 3.44Å; E1204-T1207 VanDerWaalsContact O-OG1 3.07Å; E1204-G1208 PolarHBondContact O-N 3.17Å |
| 1205 | F | 82.1 | Confident | 81 | Confident | 23 Ų | 23 | 65.7 Ų | 65.7 | 10% | 0.101 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 178.3 | -178 | -89.1 | 0 | 0 | 0 | 112.7 | R1177 E1186 L1189 V1190 D1201 M1202 E1203 G1208 N1210 A1212 | R1177-F1205 VanDerWaalsContact CZ-CE2 3.48Å; E1186-F1205 HydrophobicContact CB-CE1 4.4Å; E1186-F1205 HydrophobicContact CB-CZ 3.89Å; E1186-F1205 HydrophobicContact CG-CZ 4.02Å; L1189-F1205 HydrophobicContact CD2-CE2 3.94Å; L1189-F1205 HydrophobicContact CD2-CZ 4.37Å; V1190-F1205 HydrophobicContact CG2-CD1 3.37Å; V1190-F1205 HydrophobicContact CG2-CE1 3.33Å; V1190-F1205 HydrophobicContact CG2-CG 4.47Å; V1190-F1205 HydrophobicContact CG2-CZ 4.4Å; D1201-F1205 WeakPolarHBondContact O-CB 3.13Å; D1201-F1205 PolarHBondContact O-N 3.32Å; M1202-F1205 PolarHBondContact O-N 2.96Å; E1203-F1205 VanDerWaalsContact C-N 3.32Å; E1203-F1205 PolarHBondContact O-N 2.92Å; F1205-G1208 PolarHBondContact O-N 2.94Å; F1205-N1210 HydrophobicContact CE1-CB 3.92Å; F1205-N1210 HydrophobicContact CZ-CB 4.22Å; F1205-A1212 HydrophobicContact CE1-CB 4.29Å |
| 1206 | I | 83.8 | Confident | 81.3 | Confident | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.036 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -77.5 | -30 | -175.7 | -56.2 | 156.7 | 0 | 0 | 0 | 111.4 | V1190 M1202 E1203 G1208 N1210 V1214 L1233 N1236 | V1190-I1206 HydrophobicContact CG1-CD1 4.07Å; V1190-I1206 HydrophobicContact CG1-CG1 4.26Å; V1190-I1206 HydrophobicContact CG2-CG1 4.38Å; M1202-I1206 HydrophobicContact CG-CD1 3.71Å; M1202-I1206 VanDerWaalsContact O-CD1 3.29Å; M1202-I1206 WeakPolarHBondContact O-CD1 3.31Å; M1202-I1206 WeakPolarHBondContact O-CG1 3.14Å; M1202-I1206 PolarHBondContact O-N 2.87Å; M1202-I1206 HydrophobicContact SD-CD1 4.49Å; E1203-I1206 PolarHBondContact O-N 3.21Å; I1206-G1208 VanDerWaalsContact C-N 3.28Å; I1206-N1210 PolarHBondContact O-ND2 3.02Å; I1206-V1214 HydrophobicContact CG2-CG1 4.11Å; I1206-V1214 HydrophobicContact CG2-CG2 4.1Å; I1206-L1233 HydrophobicContact CD1-CD2 3.43Å; I1206-L1233 VanDerWaalsContact CD1-CD2 3.43Å; I1206-L1233 HydrophobicContact CD1-CG 4.45Å; I1206-L1233 HydrophobicContact CG1-CD2 4.47Å; I1206-N1236 HydrophobicContact CG2-CB 3.79Å; I1206-N1236 WeakPolarHBondContact CG2-ND2 3.46Å; I1206-N1236 WeakPolarHBondContact CG2-OD1 3.48Å |
| 1207 | T | 81.2 | Confident | 81.4 | Confident | 102 Ų | 102 | 66.3 Ų | 66.3 | 63% | 0.626 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -71.5 | -24.5 | 173.8 | 50.7 | 0 | 0 | 0 | 0 | 112.6 | E1203 E1204 | E1203-T1207 WeakPolarHBondContact O-CB 3.48Å; E1203-T1207 VanDerWaalsContact O-CG2 3.3Å; E1203-T1207 WeakPolarHBondContact O-CG2 2.97Å; E1203-T1207 PolarHBondContact O-N 2.89Å; E1203-T1207 PolarHBondContact O-OG1 3.38Å; E1204-T1207 WeakPolarHBondContact CA-OG1 3.42Å; E1204-T1207 PolarHBondContact O-OG1 3.44Å; E1204-T1207 VanDerWaalsContact O-OG1 3.07Å |
| 1208 | G | 78.9 | Confident | 81.6 | Confident | 27 Ų | 27 | 60.5 Ų | 60.5 | 28% | 0.278 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -80.4 | 166.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E1204 F1205 I1206 N1210 | E1204-G1208 PolarHBondContact O-N 3.17Å; F1205-G1208 PolarHBondContact O-N 2.94Å; I1206-G1208 VanDerWaalsContact C-N 3.28Å; G1208-N1210 PolarHBondContact O-N 3.42Å; G1208-N1210 PolarHBondContact O-ND2 3.23Å |
| 1209 | P | 74.6 | Confident | 81.8 | Confident | 130 Ų | 130 | 57.9 Ų | 57.9 | 84% | 0.844 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -64.3 | 119.7 | 177.3 | 23.8 | -31 | 0 | 0 | 0 | 111.7 | ||
| 1210 | N | 80.2 | Confident | 81.9 | Confident | 44 Ų | 44 | 59.1 Ų | 59.1 | 24% | 0.235 | 32% | 0.32 | C | S | . | . | trans | -142.5 | 160.5 | -176.9 | 68.2 | 82.4 | 0 | 0 | 0 | 111.6 | F1205 I1206 G1208 A1212 | F1205-N1210 HydrophobicContact CE1-CB 3.92Å; F1205-N1210 HydrophobicContact CZ-CB 4.22Å; I1206-N1210 PolarHBondContact O-ND2 3.02Å; G1208-N1210 PolarHBondContact O-N 3.42Å; G1208-N1210 PolarHBondContact O-ND2 3.23Å; N1210-A1212 PolarHBondContact OD1-N 2.85Å | ||
| 1211 | H | 79.9 | Confident | 82 | Confident | 113 Ų | 113 | 55.7 Ų | 55.7 | 52% | 0.523 | 29% | 0.292 | S | S | . | . | trans | -112 | 17.8 | 173.5 | -55.7 | 82.7 | 0 | 0 | 0 | 111.2 | S1183 E1186 | S1183-H1211 WeakPolarHBondContact CA-O 3.47Å; S1183-H1211 VanDerWaalsContact CB-O 3.26Å; S1183-H1211 WeakPolarHBondContact CB-O 3.49Å; S1183-H1211 PolarHBondContact OG-O 2.93Å; E1186-H1211 WeakPolarHBondContact OE2-CA 3.23Å; E1186-H1211 PolarHBondContact OE2-N 3.5Å; E1186-H1211 IonicContact OE2-ND1 3.59Å | ||
| 1212 | A | 79.1 | Confident | 82.1 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 11% | 0.107 | 28% | 0.282 | C | S | . | . | trans | -70.8 | 142.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | E1186 V1190 F1205 N1210 V1214 | E1186-A1212 HydrophobicContact CB-CB 3.97Å; V1190-A1212 HydrophobicContact CG2-CB 4.15Å; F1205-A1212 HydrophobicContact CE1-CB 4.29Å; N1210-A1212 PolarHBondContact OD1-N 2.85Å; A1212-V1214 HydrophobicContact CB-CG2 4.15Å; A1212-V1214 PolarHBondContact O-N 3.48Å | ||
| 1213 | Q | 83.6 | Confident | 82.1 | Confident | 80 Ų | 80 | 62 Ų | 62 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | trans | -81.9 | 67.4 | 171.7 | -65.2 | 179.3 | 15.4 | 0 | 0 | 109.2 | T1187 L1215 Q1216 V1217 | T1187-Q1213 HydrophobicContact CG2-CB 4.07Å; T1187-Q1213 PolarHBondContact OG1-N 2.89Å; Q1213-L1215 PolarHBondContact O-N 3.3Å; Q1213-Q1216 HydrophobicContact CB-CB 4.35Å; Q1213-Q1216 HydrophobicContact CB-CG 4.28Å; Q1213-Q1216 PolarHBondContact O-N 3.36Å; Q1213-V1217 PolarHBondContact O-N 3.12Å | ||
| 1214 | V | 84.1 | Confident | 82 | Confident | 11 Ų | 11 | 59.1 Ų | 59.1 | 7% | 0.067 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -51.2 | -33.2 | -173.3 | -173.5 | 0 | 0 | 0 | 0 | 112.4 | I1206 A1212 V1217 G1218 L1233 V1237 | I1206-V1214 HydrophobicContact CG2-CG1 4.11Å; I1206-V1214 HydrophobicContact CG2-CG2 4.1Å; A1212-V1214 HydrophobicContact CB-CG2 4.15Å; A1212-V1214 PolarHBondContact O-N 3.48Å; V1214-V1217 PolarHBondContact O-N 3.01Å; V1214-G1218 PolarHBondContact O-N 3.23Å; V1214-L1233 HydrophobicContact CG1-CB 4.21Å; V1214-L1233 HydrophobicContact CG1-CD2 3.58Å; V1214-V1237 HydrophobicContact CB-CG2 3.52Å; V1214-V1237 HydrophobicContact CG1-CG2 3.45Å; V1214-V1237 VanDerWaalsContact CG1-CG2 3.45Å |
| 1215 | L | 83.7 | Confident | 81.9 | Confident | 65 Ų | 65 | 54 Ų | 54 | 34% | 0.34 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 176.7 | -176.1 | 64.3 | 0 | 0 | 0 | 113.1 | Q1213 V1217 G1218 D1219 F1234 V1237 N1239 | Q1213-L1215 PolarHBondContact O-N 3.3Å; L1215-V1217 VanDerWaalsContact C-N 3.32Å; L1215-V1217 PolarHBondContact O-N 3.4Å; L1215-G1218 PolarHBondContact O-N 2.97Å; L1215-D1219 VanDerWaalsContact O-CG 3.28Å; L1215-D1219 PolarHBondContact O-N 2.8Å; L1215-F1234 HydrophobicContact CD1-CD1 4.21Å; L1215-F1234 HydrophobicContact CD1-CE1 4.01Å; L1215-V1237 HydrophobicContact CB-CG1 4.25Å; L1215-V1237 HydrophobicContact CD1-CG1 4.21Å; L1215-N1239 HydrophobicContact CD1-CB 4.11Å; L1215-N1239 VanDerWaalsContact CD1-ND2 3.27Å; L1215-N1239 WeakPolarHBondContact CD1-ND2 3.14Å |
| 1216 | Q | 84.2 | Confident | 81.8 | Confident | 113 Ų | 113 | 55.5 Ų | 55.5 | 53% | 0.528 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 179.5 | -69.7 | -177 | 3.4 | 0 | 0 | 111.3 | Q1213 G1218 D1219 R1220 | Q1213-Q1216 HydrophobicContact CB-CB 4.35Å; Q1213-Q1216 HydrophobicContact CB-CG 4.28Å; Q1213-Q1216 PolarHBondContact O-N 3.36Å; Q1216-G1218 VanDerWaalsContact C-N 3.34Å; Q1216-D1219 PolarHBondContact O-N 3.1Å; Q1216-R1220 WeakPolarHBondContact O-CB 3.01Å; Q1216-R1220 PolarHBondContact O-N 2.95Å |
| 1217 | V | 84.5 | Confident | 81.7 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 174.1 | -170.8 | 0 | 0 | 0 | 0 | 110.5 | T1187 V1190 Y1191 Q1213 V1214 L1215 D1219 R1220 C1221 L1233 | T1187-V1217 HydrophobicContact CG2-CG2 3.41Å; T1187-V1217 VanDerWaalsContact CG2-CG2 3.41Å; T1187-V1217 VanDerWaalsContact O-CG2 3.23Å; T1187-V1217 WeakPolarHBondContact O-CG2 3.08Å; V1190-V1217 HydrophobicContact CB-CG1 4.36Å; V1190-V1217 HydrophobicContact CB-CG2 4.41Å; V1190-V1217 HydrophobicContact CG1-CB 4.43Å; V1190-V1217 HydrophobicContact CG1-CG1 3.91Å; V1190-V1217 HydrophobicContact CG1-CG2 4.49Å; Y1191-V1217 HydrophobicContact CD2-CG1 3.94Å; Y1191-V1217 HydrophobicContact CG-CG1 4.35Å; Q1213-V1217 PolarHBondContact O-N 3.12Å; V1214-V1217 PolarHBondContact O-N 3.01Å; L1215-V1217 VanDerWaalsContact C-N 3.32Å; L1215-V1217 PolarHBondContact O-N 3.4Å; V1217-D1219 VanDerWaalsContact C-N 3.3Å; V1217-D1219 PolarHBondContact O-N 3.45Å; V1217-R1220 PolarHBondContact O-N 2.83Å; V1217-C1221 WeakPolarHBondContact O-CB 3.13Å; V1217-C1221 PolarHBondContact O-N 3.26Å; V1217-C1221 PolarHBondContact O-SG 3.1Å; V1217-L1233 HydrophobicContact CB-CD1 4.24Å; V1217-L1233 HydrophobicContact CG1-CD1 3.8Å; V1217-L1233 HydrophobicContact CG1-CD2 4.43Å |
| 1218 | G | 84.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.2 | -43.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1214 L1215 Q1216 C1221 F1222 F1234 | V1214-G1218 PolarHBondContact O-N 3.23Å; L1215-G1218 PolarHBondContact O-N 2.97Å; Q1216-G1218 VanDerWaalsContact C-N 3.34Å; G1218-C1221 PolarHBondContact O-N 3.05Å; G1218-F1222 WeakPolarHBondContact O-CB 3.06Å; G1218-F1222 PolarHBondContact O-N 3Å; G1218-F1234 VanDerWaalsContact O-CZ 3.3Å; G1218-F1234 WeakPolarHBondContact O-CZ 3.39Å |
| 1219 | D | 85.5 | Confident | 81.9 | Confident | 38 Ų | 38 | 55.7 Ų | 55.7 | 20% | 0.203 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.5 | -47.5 | 177.3 | -69.4 | -23.3 | 0 | 0 | 0 | 112.1 | L1215 Q1216 V1217 C1221 F1222 E1223 F1234 K1242 | L1215-D1219 VanDerWaalsContact O-CG 3.28Å; L1215-D1219 PolarHBondContact O-N 2.8Å; Q1216-D1219 PolarHBondContact O-N 3.1Å; V1217-D1219 VanDerWaalsContact C-N 3.3Å; V1217-D1219 PolarHBondContact O-N 3.45Å; D1219-C1221 VanDerWaalsContact C-N 3.34Å; D1219-C1221 PolarHBondContact O-N 3.39Å; D1219-F1222 WeakPolarHBondContact O-CB 3.46Å; D1219-F1222 PolarHBondContact O-N 2.83Å; D1219-F1222 VanDerWaalsContact O-N 3.14Å; D1219-E1223 WeakPolarHBondContact O-CG 3.32Å; D1219-E1223 PolarHBondContact O-N 2.62Å; D1219-F1234 WeakPolarHBondContact OD1-CE1 3.26Å; D1219-F1234 WeakPolarHBondContact OD1-CZ 3.24Å; D1219-K1242 WeakPolarHBondContact OD1-CD 3.44Å; D1219-K1242 WeakPolarHBondContact OD1-CE 3.48Å; D1219-K1242 IonicContact OD1-NZ 2.74Å; D1219-K1242 PolarHBondContact OD1-NZ 3.19Å; D1219-K1242 IonicContact OD2-NZ 2.73Å; D1219-K1242 PolarHBondContact OD2-NZ 2.84Å |
| 1220 | R | 83.8 | Confident | 82.4 | Confident | 75 Ų | 75 | 49.5 Ų | 49.5 | 28% | 0.283 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 177.8 | -163.5 | 178.8 | 179.5 | -165.7 | -5.8 | 111.8 | E1188 Y1191 Q1216 V1217 F1222 A1224 | E1188-R1220 IonicContact OE1-NH1 2.75Å; E1188-R1220 PolarHBondContact OE1-NH1 3.43Å; E1188-R1220 IonicContact OE2-CZ 3.5Å; E1188-R1220 IonicContact OE2-NH1 2.64Å; E1188-R1220 PolarHBondContact OE2-NH1 2.93Å; Y1191-R1220 HydrophobicContact CD2-CB 4.31Å; Y1191-R1220 HydrophobicContact CD2-CG 4.21Å; Y1191-R1220 HydrophobicContact CE2-CB 3.97Å; Y1191-R1220 HydrophobicContact CE2-CG 3.58Å; Q1216-R1220 WeakPolarHBondContact O-CB 3.01Å; Q1216-R1220 PolarHBondContact O-N 2.95Å; V1217-R1220 PolarHBondContact O-N 2.83Å; R1220-F1222 VanDerWaalsContact C-N 3.34Å; R1220-A1224 VanDerWaalsContact O-CB 3.3Å; R1220-A1224 WeakPolarHBondContact O-CB 3.38Å; R1220-A1224 PolarHBondContact O-N 2.82Å |
| 1221 | C | 82.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 173.8 | -73.4 | 0 | 0 | 0 | 0 | 111.8 | V1217 G1218 D1219 A1224 G1225 M1226 A1229 A1230 L1233 | V1217-C1221 WeakPolarHBondContact O-CB 3.13Å; V1217-C1221 PolarHBondContact O-N 3.26Å; V1217-C1221 PolarHBondContact O-SG 3.1Å; G1218-C1221 PolarHBondContact O-N 3.05Å; D1219-C1221 VanDerWaalsContact C-N 3.34Å; D1219-C1221 PolarHBondContact O-N 3.39Å; C1221-A1224 PolarHBondContact O-N 3.48Å; C1221-G1225 PolarHBondContact O-N 2.88Å; C1221-M1226 HydrophobicContact CB-CB 4.23Å; C1221-M1226 WeakPolarHBondContact O-CA 3.3Å; C1221-M1226 WeakPolarHBondContact O-CB 3.5Å; C1221-M1226 PolarHBondContact O-N 2.83Å; C1221-A1229 HydrophobicContact CB-CB 4.5Å; C1221-A1230 HydrophobicContact CB-CB 4.03Å; C1221-L1233 HydrophobicContact CB-CD1 4.25Å |
| 1222 | F | 82.5 | Confident | 82.6 | Confident | 38 Ų | 38 | 46.7 Ų | 46.7 | 17% | 0.167 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.9 | -44.7 | 178.2 | -179.3 | -102.2 | 0 | 0 | 0 | 112.5 | G1218 D1219 R1220 A1224 G1225 F1227 A1230 F1234 I1245 T1246 R1249 | G1218-F1222 WeakPolarHBondContact O-CB 3.06Å; G1218-F1222 PolarHBondContact O-N 3Å; D1219-F1222 WeakPolarHBondContact O-CB 3.46Å; D1219-F1222 PolarHBondContact O-N 2.83Å; D1219-F1222 VanDerWaalsContact O-N 3.14Å; R1220-F1222 VanDerWaalsContact C-N 3.34Å; F1222-A1224 VanDerWaalsContact C-N 3.33Å; F1222-G1225 PolarHBondContact O-N 3.2Å; F1222-F1227 AromaticContact CD2-CD1 3.73Å; F1222-F1227 HydrophobicContact CD2-CD1 3.73Å; F1222-F1227 AromaticContact CD2-CE1 3.77Å; F1222-F1227 HydrophobicContact CD2-CE1 3.77Å; F1222-F1227 AromaticContact CE2-CD1 3.98Å; F1222-F1227 HydrophobicContact CE2-CD1 3.98Å; F1222-F1227 AromaticContact CE2-CE1 3.79Å; F1222-F1227 HydrophobicContact CE2-CE1 3.79Å; F1222-A1230 HydrophobicContact CB-CB 4.28Å; F1222-F1234 HydrophobicContact CB-CE2 4.12Å; F1222-F1234 HydrophobicContact CB-CZ 4.36Å; F1222-I1245 HydrophobicContact CE1-CG2 4.5Å; F1222-I1245 HydrophobicContact CE2-CG2 4.13Å; F1222-I1245 HydrophobicContact CZ-CG2 3.59Å; F1222-T1246 HydrophobicContact CD2-CG2 3.2Å; F1222-T1246 HydrophobicContact CE2-CG2 3.58Å; F1222-T1246 HydrophobicContact CG-CG2 4.13Å; F1222-R1249 HydrophobicContact CE2-CG 4.34Å; F1222-R1249 HydrophobicContact CZ-CG 4.49Å |
| 1223 | E | 82.5 | Confident | 82.9 | Confident | 164 Ų | 164 | 46 Ų | 46 | 77% | 0.766 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -65.3 | -36.5 | 176.7 | -71.4 | 178.7 | 179.9 | 0 | 0 | 112.2 | D1219 G1225 | D1219-E1223 WeakPolarHBondContact O-CG 3.32Å; D1219-E1223 PolarHBondContact O-N 2.62Å; E1223-G1225 PolarHBondContact O-N 3.49Å |
| 1224 | A | 80 | Confident | 83 | Confident | 49 Ų | 49 | 42.2 Ų | 42.2 | 41% | 0.405 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 1.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1220 C1221 F1222 M1226 | R1220-A1224 VanDerWaalsContact O-CB 3.3Å; R1220-A1224 WeakPolarHBondContact O-CB 3.38Å; R1220-A1224 PolarHBondContact O-N 2.82Å; C1221-A1224 PolarHBondContact O-N 3.48Å; F1222-A1224 VanDerWaalsContact C-N 3.33Å; A1224-M1226 VanDerWaalsContact C-N 3.3Å; A1224-M1226 HydrophobicContact CB-CG 4.31Å; A1224-M1226 PolarHBondContact O-N 2.77Å |
| 1225 | G | 78.3 | Confident | 82.9 | Confident | 40 Ų | 40 | 46.3 Ų | 46.3 | 41% | 0.412 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 12.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | C1221 F1222 E1223 F1227 | C1221-G1225 PolarHBondContact O-N 2.88Å; F1222-G1225 PolarHBondContact O-N 3.2Å; E1223-G1225 PolarHBondContact O-N 3.49Å; G1225-F1227 VanDerWaalsContact C-N 3.29Å; G1225-F1227 PolarHBondContact O-N 2.94Å; G1225-F1227 VanDerWaalsContact O-N 3.11Å |
| 1226 | M | 80.6 | Confident | 82.9 | Confident | 53 Ų | 53 | 46.8 Ų | 46.8 | 26% | 0.261 | 24% | 0.242 | S | C | . | . | trans | -88.3 | 64.9 | -179.6 | -60.3 | -176.7 | 175 | 0 | 0 | 110.6 | K1195 C1221 A1224 E1228 A1229 A1230 | K1195-M1226 HydrophobicContact CD-CE 3.61Å; K1195-M1226 HydrophobicContact CD-SD 4.14Å; K1195-M1226 HydrophobicContact CG-CE 4.43Å; K1195-M1226 HydrophobicContact CG-SD 4.35Å; K1195-M1226 VanDerWaalsContact NZ-CE 3.29Å; C1221-M1226 HydrophobicContact CB-CB 4.23Å; C1221-M1226 WeakPolarHBondContact O-CA 3.3Å; C1221-M1226 WeakPolarHBondContact O-CB 3.5Å; C1221-M1226 PolarHBondContact O-N 2.83Å; A1224-M1226 VanDerWaalsContact C-N 3.3Å; A1224-M1226 HydrophobicContact CB-CG 4.31Å; A1224-M1226 PolarHBondContact O-N 2.77Å; M1226-E1228 PolarHBondContact O-N 2.91Å; M1226-A1229 HydrophobicContact CB-CB 4.42Å; M1226-A1229 PolarHBondContact O-N 2.89Å; M1226-A1230 PolarHBondContact O-N 3.03Å | ||
| 1227 | F | 82.5 | Confident | 82.8 | Confident | 42 Ų | 42 | 43.6 Ų | 43.6 | 18% | 0.184 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67 | -31.1 | -168.9 | -54.4 | -56.5 | 0 | 0 | 0 | 114.2 | F1222 G1225 A1230 K1231 R1249 L1250 | F1222-F1227 AromaticContact CD2-CD1 3.73Å; F1222-F1227 HydrophobicContact CD2-CD1 3.73Å; F1222-F1227 AromaticContact CD2-CE1 3.77Å; F1222-F1227 HydrophobicContact CD2-CE1 3.77Å; F1222-F1227 AromaticContact CE2-CD1 3.98Å; F1222-F1227 HydrophobicContact CE2-CD1 3.98Å; F1222-F1227 AromaticContact CE2-CE1 3.79Å; F1222-F1227 HydrophobicContact CE2-CE1 3.79Å; G1225-F1227 VanDerWaalsContact C-N 3.29Å; G1225-F1227 PolarHBondContact O-N 2.94Å; G1225-F1227 VanDerWaalsContact O-N 3.11Å; F1227-A1230 PolarHBondContact O-N 3.36Å; F1227-K1231 WeakPolarHBondContact O-CB 3.49Å; F1227-K1231 PolarHBondContact O-N 2.65Å; F1227-R1249 HydrophobicContact CD1-CB 4.15Å; F1227-R1249 HydrophobicContact CD2-CB 4.23Å; F1227-R1249 HydrophobicContact CE1-CB 3.97Å; F1227-R1249 VanDerWaalsContact CE1-CD 3.41Å; F1227-R1249 HydrophobicContact CE1-CG 4.32Å; F1227-R1249 HydrophobicContact CE2-CB 4.03Å; F1227-R1249 HydrophobicContact CG-CB 4.3Å; F1227-R1249 HydrophobicContact CZ-CB 3.91Å; F1227-R1249 VanDerWaalsContact CZ-CD 3.42Å; F1227-R1249 HydrophobicContact CZ-CG 4.31Å; F1227-L1250 HydrophobicContact CB-CD1 3.86Å; F1227-L1250 HydrophobicContact CB-CD2 3.54Å; F1227-L1250 HydrophobicContact CB-CG 3.51Å; F1227-L1250 HydrophobicContact CD2-CD2 4.41Å; F1227-L1250 HydrophobicContact CG-CD2 4.42Å; F1227-L1250 HydrophobicContact CG-CG 4.38Å |
| 1228 | E | 81.5 | Confident | 82.6 | Confident | 95 Ų | 95 | 46.8 Ų | 46.8 | 44% | 0.444 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 176.4 | -69.9 | -64.5 | 176 | 0 | 0 | 112.3 | M1226 K1231 I1232 L1250 | M1226-E1228 PolarHBondContact O-N 2.91Å; E1228-K1231 WeakPolarHBondContact O-CB 3.47Å; E1228-K1231 PolarHBondContact O-N 2.85Å; E1228-I1232 PolarHBondContact O-N 2.84Å; E1228-L1250 HydrophobicContact CG-CD2 4.44Å |
| 1229 | A | 82.5 | Confident | 82.5 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 3% | 0.033 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | A1194 L1199 M1202 C1221 M1226 K1231 I1232 L1233 | A1194-A1229 HydrophobicContact CB-CB 3.72Å; L1199-A1229 HydrophobicContact CD2-CB 4.09Å; M1202-A1229 HydrophobicContact CE-CB 4.2Å; M1202-A1229 HydrophobicContact SD-CB 4.49Å; C1221-A1229 HydrophobicContact CB-CB 4.5Å; M1226-A1229 HydrophobicContact CB-CB 4.42Å; M1226-A1229 PolarHBondContact O-N 2.89Å; A1229-K1231 VanDerWaalsContact C-N 3.27Å; A1229-K1231 PolarHBondContact O-N 2.98Å; A1229-I1232 PolarHBondContact O-N 2.77Å; A1229-L1233 WeakPolarHBondContact O-CD1 3.37Å; A1229-L1233 VanDerWaalsContact O-CG 3.25Å; A1229-L1233 WeakPolarHBondContact O-CG 3.32Å; A1229-L1233 PolarHBondContact O-N 2.93Å |
| 1230 | A | 83.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.8 | -35.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | C1221 F1222 M1226 F1227 L1233 F1234 T1246 | C1221-A1230 HydrophobicContact CB-CB 4.03Å; F1222-A1230 HydrophobicContact CB-CB 4.28Å; M1226-A1230 PolarHBondContact O-N 3.03Å; F1227-A1230 PolarHBondContact O-N 3.36Å; A1230-L1233 PolarHBondContact O-N 2.88Å; A1230-F1234 HydrophobicContact CB-CD2 4.14Å; A1230-F1234 HydrophobicContact CB-CE2 3.93Å; A1230-F1234 WeakPolarHBondContact O-CB 3.41Å; A1230-F1234 WeakPolarHBondContact O-CD2 3.33Å; A1230-F1234 WeakPolarHBondContact O-CG 3.35Å; A1230-F1234 PolarHBondContact O-N 2.82Å; A1230-T1246 HydrophobicContact CB-CG2 4.19Å |
| 1231 | K | 82.3 | Confident | 82.2 | Confident | 58 Ų | 58 | 46.7 Ų | 46.7 | 25% | 0.252 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 174.7 | 176.5 | 178 | 173.4 | 175.4 | 0 | 111.5 | F1227 E1228 A1229 L1233 N1235 L1243 L1247 L1250 E1252 | F1227-K1231 WeakPolarHBondContact O-CB 3.49Å; F1227-K1231 PolarHBondContact O-N 2.65Å; E1228-K1231 WeakPolarHBondContact O-CB 3.47Å; E1228-K1231 PolarHBondContact O-N 2.85Å; A1229-K1231 VanDerWaalsContact C-N 3.27Å; A1229-K1231 PolarHBondContact O-N 2.98Å; K1231-L1233 VanDerWaalsContact C-N 3.35Å; K1231-L1233 PolarHBondContact O-N 3.4Å; K1231-N1235 WeakPolarHBondContact O-CB 3.37Å; K1231-N1235 PolarHBondContact O-N 2.75Å; K1231-N1235 VanDerWaalsContact O-N 3.09Å; K1231-L1243 HydrophobicContact CG-CD1 4.22Å; K1231-L1247 HydrophobicContact CD-CD2 3.86Å; K1231-L1247 HydrophobicContact CG-CD2 4.19Å; K1231-L1250 HydrophobicContact CB-CD1 4.36Å; K1231-L1250 HydrophobicContact CD-CD1 4.06Å; K1231-E1252 IonicContact NZ-OE1 2.76Å; K1231-E1252 PolarHBondContact NZ-OE1 3.5Å; K1231-E1252 IonicContact NZ-OE2 2.67Å; K1231-E1252 PolarHBondContact NZ-OE2 3.05Å |
| 1232 | I | 83.4 | Confident | 82.1 | Confident | 39 Ų | 39 | 50.3 Ų | 50.3 | 20% | 0.2 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 176.9 | -62.1 | 168.4 | 0 | 0 | 0 | 110.2 | L1199 M1202 E1203 E1228 A1229 N1236 | L1199-I1232 HydrophobicContact CB-CD1 4.22Å; M1202-I1232 HydrophobicContact CE-CB 3.8Å; M1202-I1232 HydrophobicContact CE-CD1 3.75Å; M1202-I1232 HydrophobicContact CE-CG1 4.36Å; M1202-I1232 HydrophobicContact CE-CG2 3.84Å; E1203-I1232 HydrophobicContact CB-CG2 4.32Å; E1203-I1232 HydrophobicContact CG-CG2 4.36Å; E1228-I1232 PolarHBondContact O-N 2.84Å; A1229-I1232 PolarHBondContact O-N 2.77Å; I1232-N1236 PolarHBondContact O-N 3.07Å; I1232-N1236 VanDerWaalsContact O-N 3.13Å |
| 1233 | L | 85 | Confident | 82 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.1 | -51 | -177.3 | -66.2 | 164.6 | 0 | 0 | 0 | 112.6 | V1190 M1202 I1206 V1214 V1217 C1221 A1229 A1230 K1231 N1235 N1236 V1237 | V1190-L1233 HydrophobicContact CG1-CD2 3.54Å; M1202-L1233 HydrophobicContact CE-CG 4.46Å; M1202-L1233 HydrophobicContact SD-CD1 4.47Å; M1202-L1233 HydrophobicContact SD-CD2 4.3Å; M1202-L1233 HydrophobicContact SD-CG 4.39Å; I1206-L1233 HydrophobicContact CD1-CD2 3.43Å; I1206-L1233 VanDerWaalsContact CD1-CD2 3.43Å; I1206-L1233 HydrophobicContact CD1-CG 4.45Å; I1206-L1233 HydrophobicContact CG1-CD2 4.47Å; V1214-L1233 HydrophobicContact CG1-CB 4.21Å; V1214-L1233 HydrophobicContact CG1-CD2 3.58Å; V1217-L1233 HydrophobicContact CB-CD1 4.24Å; V1217-L1233 HydrophobicContact CG1-CD1 3.8Å; V1217-L1233 HydrophobicContact CG1-CD2 4.43Å; C1221-L1233 HydrophobicContact CB-CD1 4.25Å; A1229-L1233 WeakPolarHBondContact O-CD1 3.37Å; A1229-L1233 VanDerWaalsContact O-CG 3.25Å; A1229-L1233 WeakPolarHBondContact O-CG 3.32Å; A1229-L1233 PolarHBondContact O-N 2.93Å; A1230-L1233 PolarHBondContact O-N 2.88Å; K1231-L1233 VanDerWaalsContact C-N 3.35Å; K1231-L1233 PolarHBondContact O-N 3.4Å; L1233-N1235 VanDerWaalsContact C-N 3.32Å; L1233-N1235 PolarHBondContact O-N 3.28Å; L1233-N1236 PolarHBondContact O-N 3.28Å; L1233-V1237 WeakPolarHBondContact O-CG2 3.15Å; L1233-V1237 PolarHBondContact O-N 2.81Å |
| 1234 | F | 85.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.4 | -28.9 | -179 | -66.2 | -48.4 | 0 | 0 | 0 | 113.2 | L1215 G1218 D1219 F1222 A1230 S1238 N1239 K1242 L1243 T1246 | L1215-F1234 HydrophobicContact CD1-CD1 4.21Å; L1215-F1234 HydrophobicContact CD1-CE1 4.01Å; G1218-F1234 VanDerWaalsContact O-CZ 3.3Å; G1218-F1234 WeakPolarHBondContact O-CZ 3.39Å; D1219-F1234 WeakPolarHBondContact OD1-CE1 3.26Å; D1219-F1234 WeakPolarHBondContact OD1-CZ 3.24Å; F1222-F1234 HydrophobicContact CB-CE2 4.12Å; F1222-F1234 HydrophobicContact CB-CZ 4.36Å; A1230-F1234 HydrophobicContact CB-CD2 4.14Å; A1230-F1234 HydrophobicContact CB-CE2 3.93Å; A1230-F1234 WeakPolarHBondContact O-CB 3.41Å; A1230-F1234 WeakPolarHBondContact O-CD2 3.33Å; A1230-F1234 WeakPolarHBondContact O-CG 3.35Å; A1230-F1234 PolarHBondContact O-N 2.82Å; F1234-S1238 PolarHBondContact O-N 2.74Å; F1234-S1238 VanDerWaalsContact O-N 3.12Å; F1234-N1239 HydrophobicContact CD1-CB 4.43Å; F1234-N1239 PolarHBondContact O-N 3.48Å; F1234-N1239 VanDerWaalsContact O-N 3.13Å; F1234-K1242 HydrophobicContact CD1-CB 3.99Å; F1234-K1242 HydrophobicContact CD2-CB 4.08Å; F1234-K1242 HydrophobicContact CE1-CB 3.84Å; F1234-K1242 HydrophobicContact CE1-CD 3.73Å; F1234-K1242 HydrophobicContact CE1-CG 4.41Å; F1234-K1242 HydrophobicContact CE2-CB 3.9Å; F1234-K1242 HydrophobicContact CG-CB 4.11Å; F1234-K1242 HydrophobicContact CZ-CB 3.77Å; F1234-K1242 HydrophobicContact CZ-CD 3.82Å; F1234-K1242 HydrophobicContact CZ-CG 4.43Å; F1234-L1243 HydrophobicContact CB-CB 3.93Å; F1234-L1243 HydrophobicContact CB-CD1 4.11Å; F1234-T1246 HydrophobicContact CD2-CG2 3.45Å; F1234-T1246 VanDerWaalsContact CD2-CG2 3.45Å; F1234-T1246 HydrophobicContact CE2-CG2 3.37Å |
| 1235 | N | 82.9 | Confident | 82 | Confident | 96 Ų | 96 | 40.9 Ų | 40.9 | 51% | 0.513 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.8 | -39.9 | 172.9 | -168.3 | 39.5 | 0 | 0 | 0 | 111.3 | K1231 L1233 S1238 L1243 | K1231-N1235 WeakPolarHBondContact O-CB 3.37Å; K1231-N1235 PolarHBondContact O-N 2.75Å; K1231-N1235 VanDerWaalsContact O-N 3.09Å; L1233-N1235 VanDerWaalsContact C-N 3.32Å; L1233-N1235 PolarHBondContact O-N 3.28Å; N1235-S1238 PolarHBondContact O-N 2.85Å; N1235-L1243 HydrophobicContact CB-CD1 4.48Å; N1235-L1243 HydrophobicContact CB-CD2 4.32Å |
| 1236 | N | 82.5 | Confident | 82.2 | Confident | 75 Ų | 75 | 39 Ų | 39 | 40% | 0.401 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.8 | -44.1 | 176 | -177.4 | -88.5 | 0 | 0 | 0 | 112.9 | I1206 I1232 L1233 S1238 | I1206-N1236 HydrophobicContact CG2-CB 3.79Å; I1206-N1236 WeakPolarHBondContact CG2-ND2 3.46Å; I1206-N1236 WeakPolarHBondContact CG2-OD1 3.48Å; I1232-N1236 PolarHBondContact O-N 3.07Å; I1232-N1236 VanDerWaalsContact O-N 3.13Å; L1233-N1236 PolarHBondContact O-N 3.28Å; N1236-S1238 PolarHBondContact O-N 2.8Å; N1236-S1238 VanDerWaalsContact O-N 3.16Å |
| 1237 | V | 82.6 | Confident | 82.2 | Confident | 46 Ų | 46 | 36.9 Ų | 36.9 | 28% | 0.279 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -69.3 | -10.9 | 177.2 | -179.4 | 0 | 0 | 0 | 0 | 112 | V1214 L1215 L1233 N1239 | V1214-V1237 HydrophobicContact CB-CG2 3.52Å; V1214-V1237 HydrophobicContact CG1-CG2 3.45Å; V1214-V1237 VanDerWaalsContact CG1-CG2 3.45Å; L1215-V1237 HydrophobicContact CB-CG1 4.25Å; L1215-V1237 HydrophobicContact CD1-CG1 4.21Å; L1233-V1237 WeakPolarHBondContact O-CG2 3.15Å; L1233-V1237 PolarHBondContact O-N 2.81Å; V1237-N1239 HydrophobicContact CG1-CB 4.2Å; V1237-N1239 PolarHBondContact O-N 2.91Å |
| 1238 | S | 80.3 | Confident | 82.1 | Confident | 71 Ų | 71 | 36.1 Ų | 36.1 | 50% | 0.497 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 27.6 | -171.2 | 66.2 | 0 | 0 | 0 | 0 | 113.2 | F1234 N1235 N1236 F1240 | F1234-S1238 PolarHBondContact O-N 2.74Å; F1234-S1238 VanDerWaalsContact O-N 3.12Å; N1235-S1238 PolarHBondContact O-N 2.85Å; N1236-S1238 PolarHBondContact O-N 2.8Å; N1236-S1238 VanDerWaalsContact O-N 3.16Å; S1238-F1240 VanDerWaalsContact C-N 3.31Å; S1238-F1240 WeakPolarHBondContact O-CD2 3.48Å; S1238-F1240 VanDerWaalsContact O-CE2 3.31Å; S1238-F1240 WeakPolarHBondContact O-CE2 3.42Å; S1238-F1240 PolarHBondContact O-N 3.46Å |
| 1239 | N | 81.5 | Confident | 82 | Confident | 42 Ų | 42 | 38.3 Ų | 38.3 | 23% | 0.225 | 20% | 0.197 | C | C | . | . | trans | -83.6 | 79.7 | 173 | -169.7 | -24.2 | 0 | 0 | 0 | 109.8 | L1215 F1234 V1237 A1241 K1242 L1243 | L1215-N1239 HydrophobicContact CD1-CB 4.11Å; L1215-N1239 VanDerWaalsContact CD1-ND2 3.27Å; L1215-N1239 WeakPolarHBondContact CD1-ND2 3.14Å; F1234-N1239 HydrophobicContact CD1-CB 4.43Å; F1234-N1239 PolarHBondContact O-N 3.48Å; F1234-N1239 VanDerWaalsContact O-N 3.13Å; V1237-N1239 HydrophobicContact CG1-CB 4.2Å; V1237-N1239 PolarHBondContact O-N 2.91Å; N1239-A1241 PolarHBondContact O-N 3.43Å; N1239-A1241 PolarHBondContact OD1-N 2.86Å; N1239-K1242 PolarHBondContact O-N 2.98Å; N1239-K1242 PolarHBondContact OD1-N 3.01Å; N1239-L1243 WeakPolarHBondContact O-CB 3.4Å; N1239-L1243 PolarHBondContact O-N 2.86Å; N1239-L1243 VanDerWaalsContact O-N 3.09Å | ||
| 1240 | F | 83.4 | Confident | 82 | Confident | 42 Ų | 42 | 40.1 Ų | 40.1 | 18% | 0.184 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.5 | -21.9 | -173.7 | -59 | -68 | 0 | 0 | 0 | 114 | S1238 L1243 A1244 A1259 K1262 A1263 | S1238-F1240 VanDerWaalsContact C-N 3.31Å; S1238-F1240 WeakPolarHBondContact O-CD2 3.48Å; S1238-F1240 VanDerWaalsContact O-CE2 3.31Å; S1238-F1240 WeakPolarHBondContact O-CE2 3.42Å; S1238-F1240 PolarHBondContact O-N 3.46Å; F1240-L1243 HydrophobicContact CD1-CD2 4.05Å; F1240-A1244 WeakPolarHBondContact O-CB 3.3Å; F1240-A1244 PolarHBondContact O-N 2.74Å; F1240-A1259 HydrophobicContact CB-CB 4.5Å; F1240-A1259 VanDerWaalsContact CB-O 3.3Å; F1240-A1259 WeakPolarHBondContact CB-O 3.33Å; F1240-K1262 HydrophobicContact CB-CB 3.9Å; F1240-K1262 HydrophobicContact CD1-CB 3.87Å; F1240-K1262 HydrophobicContact CD1-CD 3.65Å; F1240-K1262 HydrophobicContact CD1-CG 4.43Å; F1240-K1262 HydrophobicContact CD2-CB 3.44Å; F1240-K1262 VanDerWaalsContact CD2-CB 3.44Å; F1240-K1262 HydrophobicContact CD2-CD 4.28Å; F1240-K1262 HydrophobicContact CD2-CG 4.49Å; F1240-K1262 HydrophobicContact CE1-CB 4.29Å; F1240-K1262 HydrophobicContact CE1-CD 3.39Å; F1240-K1262 HydrophobicContact CE2-CB 3.88Å; F1240-K1262 HydrophobicContact CE2-CD 4.03Å; F1240-K1262 HydrophobicContact CG-CB 3.44Å; F1240-K1262 VanDerWaalsContact CG-CB 3.44Å; F1240-K1262 HydrophobicContact CG-CD 4.11Å; F1240-K1262 HydrophobicContact CG-CG 4.44Å; F1240-K1262 HydrophobicContact CZ-CB 4.29Å; F1240-K1262 HydrophobicContact CZ-CD 3.6Å; F1240-A1263 HydrophobicContact CB-CB 3.88Å |
| 1241 | A | 80.2 | Confident | 81.7 | Confident | 27 Ų | 27 | 45.9 Ų | 45.9 | 22% | 0.223 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.1 | -51.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | N1239 A1244 I1245 A1263 T1268 | N1239-A1241 PolarHBondContact O-N 3.43Å; N1239-A1241 PolarHBondContact OD1-N 2.86Å; A1241-A1244 PolarHBondContact O-N 3.15Å; A1241-I1245 WeakPolarHBondContact O-CG1 3.5Å; A1241-I1245 PolarHBondContact O-N 3.41Å; A1241-A1263 HydrophobicContact CB-CB 4.15Å; A1241-T1268 HydrophobicContact CB-CG2 3.41Å; A1241-T1268 VanDerWaalsContact CB-CG2 3.41Å |
| 1242 | K | 80.1 | Confident | 81.6 | Confident | 76 Ų | 76 | 46.6 Ų | 46.6 | 33% | 0.33 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70.8 | -37.2 | 177.1 | -64.8 | -167.2 | 177.2 | -173.4 | 0 | 111.6 | D1219 F1234 N1239 A1244 I1245 T1246 | D1219-K1242 WeakPolarHBondContact OD1-CD 3.44Å; D1219-K1242 WeakPolarHBondContact OD1-CE 3.48Å; D1219-K1242 IonicContact OD1-NZ 2.74Å; D1219-K1242 PolarHBondContact OD1-NZ 3.19Å; D1219-K1242 IonicContact OD2-NZ 2.73Å; D1219-K1242 PolarHBondContact OD2-NZ 2.84Å; F1234-K1242 HydrophobicContact CD1-CB 3.99Å; F1234-K1242 HydrophobicContact CD2-CB 4.08Å; F1234-K1242 HydrophobicContact CE1-CB 3.84Å; F1234-K1242 HydrophobicContact CE1-CD 3.73Å; F1234-K1242 HydrophobicContact CE1-CG 4.41Å; F1234-K1242 HydrophobicContact CE2-CB 3.9Å; F1234-K1242 HydrophobicContact CG-CB 4.11Å; F1234-K1242 HydrophobicContact CZ-CB 3.77Å; F1234-K1242 HydrophobicContact CZ-CD 3.82Å; F1234-K1242 HydrophobicContact CZ-CG 4.43Å; N1239-K1242 PolarHBondContact O-N 2.98Å; N1239-K1242 PolarHBondContact OD1-N 3.01Å; K1242-A1244 VanDerWaalsContact C-N 3.3Å; K1242-A1244 PolarHBondContact O-N 3.06Å; K1242-I1245 PolarHBondContact O-N 2.88Å; K1242-I1245 VanDerWaalsContact O-N 3.16Å; K1242-T1246 WeakPolarHBondContact O-CG2 3.38Å; K1242-T1246 PolarHBondContact O-N 3.11Å |
| 1243 | L | 81.7 | Confident | 81.5 | Confident | 10 Ų | 10 | 46.2 Ų | 46.2 | 5% | 0.052 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.3 | -41.1 | 173.8 | -174.5 | 65.5 | 0 | 0 | 0 | 112.1 | K1231 F1234 N1235 N1239 F1240 I1245 T1246 L1247 A1259 | K1231-L1243 HydrophobicContact CG-CD1 4.22Å; F1234-L1243 HydrophobicContact CB-CB 3.93Å; F1234-L1243 HydrophobicContact CB-CD1 4.11Å; N1235-L1243 HydrophobicContact CB-CD1 4.48Å; N1235-L1243 HydrophobicContact CB-CD2 4.32Å; N1239-L1243 WeakPolarHBondContact O-CB 3.4Å; N1239-L1243 PolarHBondContact O-N 2.86Å; N1239-L1243 VanDerWaalsContact O-N 3.09Å; F1240-L1243 HydrophobicContact CD1-CD2 4.05Å; L1243-I1245 VanDerWaalsContact C-N 3.3Å; L1243-I1245 PolarHBondContact O-N 2.93Å; L1243-T1246 WeakPolarHBondContact CA-OG1 3.45Å; L1243-T1246 PolarHBondContact O-N 2.78Å; L1243-T1246 PolarHBondContact O-OG1 2.9Å; L1243-L1247 HydrophobicContact CD1-CD1 4.2Å; L1243-L1247 HydrophobicContact CD1-CG 4.25Å; L1243-L1247 HydrophobicContact CD2-CD1 4.45Å; L1243-L1247 HydrophobicContact CG-CD1 3.84Å; L1243-L1247 HydrophobicContact CG-CG 4.31Å; L1243-L1247 WeakPolarHBondContact O-CB 3.3Å; L1243-L1247 WeakPolarHBondContact O-CG 3.4Å; L1243-L1247 PolarHBondContact O-N 2.81Å; L1243-A1259 HydrophobicContact CB-CB 4.39Å; L1243-A1259 HydrophobicContact CD2-CB 4.19Å; L1243-A1259 HydrophobicContact CG-CB 4.23Å |
| 1244 | A | 80.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.3 | -45 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | F1240 A1241 K1242 L1247 V1248 S1256 A1259 A1260 V1272 | F1240-A1244 WeakPolarHBondContact O-CB 3.3Å; F1240-A1244 PolarHBondContact O-N 2.74Å; A1241-A1244 PolarHBondContact O-N 3.15Å; K1242-A1244 VanDerWaalsContact C-N 3.3Å; K1242-A1244 PolarHBondContact O-N 3.06Å; A1244-L1247 PolarHBondContact O-N 3.2Å; A1244-V1248 WeakPolarHBondContact O-CG2 3.5Å; A1244-V1248 PolarHBondContact O-N 3.15Å; A1244-S1256 WeakPolarHBondContact O-CB 3.22Å; A1244-S1256 PolarHBondContact O-OG 3.5Å; A1244-A1259 HydrophobicContact CB-CB 3.84Å; A1244-A1260 HydrophobicContact CB-CB 4.27Å; A1244-V1272 HydrophobicContact CB-CG2 4.01Å |
| 1245 | I | 81 | Confident | 81.3 | Confident | 43 Ų | 43 | 52.4 Ų | 52.4 | 22% | 0.221 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.3 | -40 | 179.1 | -56.2 | 165.7 | 0 | 0 | 0 | 111.3 | F1222 A1241 K1242 L1243 L1247 V1248 R1249 E1271 | F1222-I1245 HydrophobicContact CE1-CG2 4.5Å; F1222-I1245 HydrophobicContact CE2-CG2 4.13Å; F1222-I1245 HydrophobicContact CZ-CG2 3.59Å; A1241-I1245 WeakPolarHBondContact O-CG1 3.5Å; A1241-I1245 PolarHBondContact O-N 3.41Å; K1242-I1245 PolarHBondContact O-N 2.88Å; K1242-I1245 VanDerWaalsContact O-N 3.16Å; L1243-I1245 VanDerWaalsContact C-N 3.3Å; L1243-I1245 PolarHBondContact O-N 2.93Å; I1245-L1247 VanDerWaalsContact C-N 3.33Å; I1245-L1247 PolarHBondContact O-N 3.01Å; I1245-V1248 WeakPolarHBondContact O-CB 3.25Å; I1245-V1248 PolarHBondContact O-N 2.9Å; I1245-R1249 PolarHBondContact O-N 3.33Å; I1245-E1271 WeakPolarHBondContact CD1-OE2 3.38Å; I1245-E1271 WeakPolarHBondContact CG1-OE2 3.33Å |
| 1246 | T | 81.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.2 | -40.9 | 176.9 | 66 | 0 | 0 | 0 | 0 | 111.8 | F1222 A1230 F1234 K1242 L1243 R1249 L1250 | F1222-T1246 HydrophobicContact CD2-CG2 3.2Å; F1222-T1246 HydrophobicContact CE2-CG2 3.58Å; F1222-T1246 HydrophobicContact CG-CG2 4.13Å; A1230-T1246 HydrophobicContact CB-CG2 4.19Å; F1234-T1246 HydrophobicContact CD2-CG2 3.45Å; F1234-T1246 VanDerWaalsContact CD2-CG2 3.45Å; F1234-T1246 HydrophobicContact CE2-CG2 3.37Å; K1242-T1246 WeakPolarHBondContact O-CG2 3.38Å; K1242-T1246 PolarHBondContact O-N 3.11Å; L1243-T1246 WeakPolarHBondContact CA-OG1 3.45Å; L1243-T1246 PolarHBondContact O-N 2.78Å; L1243-T1246 PolarHBondContact O-OG1 2.9Å; T1246-R1249 PolarHBondContact O-N 2.94Å; T1246-L1250 PolarHBondContact O-N 3.26Å |
| 1247 | L | 82.6 | Confident | 81.3 | Confident | 9 Ų | 9 | 44.2 Ų | 44.2 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.4 | -36 | 175.6 | -67.4 | 171.9 | 0 | 0 | 0 | 111.9 | K1231 L1243 A1244 I1245 R1249 L1250 N1251 E1252 G1255 A1259 | K1231-L1247 HydrophobicContact CD-CD2 3.86Å; K1231-L1247 HydrophobicContact CG-CD2 4.19Å; L1243-L1247 HydrophobicContact CD1-CD1 4.2Å; L1243-L1247 HydrophobicContact CD1-CG 4.25Å; L1243-L1247 HydrophobicContact CD2-CD1 4.45Å; L1243-L1247 HydrophobicContact CG-CD1 3.84Å; L1243-L1247 HydrophobicContact CG-CG 4.31Å; L1243-L1247 WeakPolarHBondContact O-CB 3.3Å; L1243-L1247 WeakPolarHBondContact O-CG 3.4Å; L1243-L1247 PolarHBondContact O-N 2.81Å; A1244-L1247 PolarHBondContact O-N 3.2Å; I1245-L1247 VanDerWaalsContact C-N 3.33Å; I1245-L1247 PolarHBondContact O-N 3.01Å; L1247-R1249 VanDerWaalsContact C-N 3.34Å; L1247-R1249 PolarHBondContact O-N 3.01Å; L1247-L1250 CarbonylContact O-C 3.6Å; L1247-L1250 PolarHBondContact O-N 2.97Å; L1247-N1251 PolarHBondContact O-N 3.32Å; L1247-E1252 HydrophobicContact CB-CB 4.31Å; L1247-E1252 HydrophobicContact CD2-CB 4.1Å; L1247-E1252 WeakPolarHBondContact CD2-OE2 3.43Å; L1247-E1252 PolarHBondContact O-N 3.38Å; L1247-G1255 VanDerWaalsContact CD1-C 3.41Å; L1247-G1255 WeakPolarHBondContact CD1-O 3.33Å; L1247-A1259 HydrophobicContact CD1-CB 4.24Å |
| 1248 | V | 80.1 | Confident | 81.4 | Confident | 25 Ų | 25 | 44.8 Ų | 44.8 | 15% | 0.152 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.4 | -47.1 | 170.2 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | A1244 I1245 L1250 N1251 F1253 S1256 V1272 A1275 | A1244-V1248 WeakPolarHBondContact O-CG2 3.5Å; A1244-V1248 PolarHBondContact O-N 3.15Å; I1245-V1248 WeakPolarHBondContact O-CB 3.25Å; I1245-V1248 PolarHBondContact O-N 2.9Å; V1248-L1250 PolarHBondContact O-N 3.13Å; V1248-N1251 PolarHBondContact O-N 2.81Å; V1248-F1253 HydrophobicContact CG1-CE1 4.41Å; V1248-S1256 WeakPolarHBondContact CG2-OG 3.45Å; V1248-V1272 HydrophobicContact CG2-CG1 4.45Å; V1248-V1272 HydrophobicContact CG2-CG2 4.05Å; V1248-A1275 HydrophobicContact CG1-CB 3.42Å; V1248-A1275 VanDerWaalsContact CG1-CB 3.42Å; V1248-A1275 HydrophobicContact CG2-CB 4.32Å |
| 1249 | R | 78.8 | Confident | 81.5 | Confident | 142 Ų | 142 | 41.6 Ų | 41.6 | 54% | 0.536 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.9 | -23.4 | 179.8 | -68.4 | -162.7 | 178.6 | -166.1 | 0.5 | 113.7 | F1222 F1227 I1245 T1246 L1247 N1251 | F1222-R1249 HydrophobicContact CE2-CG 4.34Å; F1222-R1249 HydrophobicContact CZ-CG 4.49Å; F1227-R1249 HydrophobicContact CD1-CB 4.15Å; F1227-R1249 HydrophobicContact CD2-CB 4.23Å; F1227-R1249 HydrophobicContact CE1-CB 3.97Å; F1227-R1249 VanDerWaalsContact CE1-CD 3.41Å; F1227-R1249 HydrophobicContact CE1-CG 4.32Å; F1227-R1249 HydrophobicContact CE2-CB 4.03Å; F1227-R1249 HydrophobicContact CG-CB 4.3Å; F1227-R1249 HydrophobicContact CZ-CB 3.91Å; F1227-R1249 VanDerWaalsContact CZ-CD 3.42Å; F1227-R1249 HydrophobicContact CZ-CG 4.31Å; I1245-R1249 PolarHBondContact O-N 3.33Å; T1246-R1249 PolarHBondContact O-N 2.94Å; L1247-R1249 VanDerWaalsContact C-N 3.34Å; L1247-R1249 PolarHBondContact O-N 3.01Å; R1249-N1251 VanDerWaalsContact C-N 3.27Å |
| 1250 | L | 81.6 | Confident | 81.6 | Confident | 41 Ų | 41 | 39.6 Ų | 39.6 | 22% | 0.215 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 2.1 | 170.6 | -73.8 | 169.4 | 0 | 0 | 0 | 113.5 | F1227 E1228 K1231 T1246 L1247 V1248 E1252 | F1227-L1250 HydrophobicContact CB-CD1 3.86Å; F1227-L1250 HydrophobicContact CB-CD2 3.54Å; F1227-L1250 HydrophobicContact CB-CG 3.51Å; F1227-L1250 HydrophobicContact CD2-CD2 4.41Å; F1227-L1250 HydrophobicContact CG-CD2 4.42Å; F1227-L1250 HydrophobicContact CG-CG 4.38Å; E1228-L1250 HydrophobicContact CG-CD2 4.44Å; K1231-L1250 HydrophobicContact CB-CD1 4.36Å; K1231-L1250 HydrophobicContact CD-CD1 4.06Å; T1246-L1250 PolarHBondContact O-N 3.26Å; L1247-L1250 CarbonylContact O-C 3.6Å; L1247-L1250 PolarHBondContact O-N 2.97Å; V1248-L1250 PolarHBondContact O-N 3.13Å; L1250-E1252 HydrophobicContact CB-CG 4.3Å; L1250-E1252 PolarHBondContact O-N 3.02Å |
| 1251 | N | 77.9 | Confident | 81.5 | Confident | 122 Ų | 122 | 43.2 Ų | 43.2 | 65% | 0.652 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 21.8 | -171.6 | -58.6 | -50.4 | 0 | 0 | 0 | 114.1 | L1247 V1248 R1249 F1253 | L1247-N1251 PolarHBondContact O-N 3.32Å; V1248-N1251 PolarHBondContact O-N 2.81Å; R1249-N1251 VanDerWaalsContact C-N 3.27Å; N1251-F1253 HydrophobicContact CB-CE2 4.22Å; N1251-F1253 PolarHBondContact O-N 2.85Å |
| 1252 | E | 81.3 | Confident | 81.6 | Confident | 73 Ų | 73 | 48.3 Ų | 48.3 | 34% | 0.341 | 23% | 0.229 | S | C | . | . | trans | -91.6 | 66.9 | 175 | -69.3 | -170.5 | -176 | 0 | 0 | 110.9 | K1231 L1247 L1250 Q1254 G1255 S1256 | K1231-E1252 IonicContact NZ-OE1 2.76Å; K1231-E1252 PolarHBondContact NZ-OE1 3.5Å; K1231-E1252 IonicContact NZ-OE2 2.67Å; K1231-E1252 PolarHBondContact NZ-OE2 3.05Å; L1247-E1252 HydrophobicContact CB-CB 4.31Å; L1247-E1252 HydrophobicContact CD2-CB 4.1Å; L1247-E1252 WeakPolarHBondContact CD2-OE2 3.43Å; L1247-E1252 PolarHBondContact O-N 3.38Å; L1250-E1252 HydrophobicContact CB-CG 4.3Å; L1250-E1252 PolarHBondContact O-N 3.02Å; E1252-Q1254 PolarHBondContact O-N 3.08Å; E1252-G1255 PolarHBondContact O-N 2.87Å; E1252-S1256 PolarHBondContact O-N 3.34Å | ||
| 1253 | F | 80.2 | Confident | 81.6 | Confident | 30 Ų | 30 | 46.2 Ų | 46.2 | 13% | 0.132 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.3 | -39.8 | -173 | -59.9 | -72.2 | 0 | 0 | 0 | 113.9 | V1248 N1251 G1255 S1256 V1257 A1279 E1281 L1284 | V1248-F1253 HydrophobicContact CG1-CE1 4.41Å; N1251-F1253 HydrophobicContact CB-CE2 4.22Å; N1251-F1253 PolarHBondContact O-N 2.85Å; F1253-G1255 PolarHBondContact O-N 3.4Å; F1253-S1256 WeakPolarHBondContact O-CB 3.37Å; F1253-S1256 PolarHBondContact O-N 2.95Å; F1253-V1257 WeakPolarHBondContact O-CG2 3.13Å; F1253-V1257 PolarHBondContact O-N 3.29Å; F1253-A1279 HydrophobicContact CE1-CB 3.78Å; F1253-A1279 HydrophobicContact CE2-CB 3.84Å; F1253-A1279 HydrophobicContact CZ-CB 3.31Å; F1253-E1281 HydrophobicContact CD2-CG 3.95Å; F1253-E1281 HydrophobicContact CE2-CG 4.37Å; F1253-E1281 HydrophobicContact CG-CG 4.31Å; F1253-L1284 HydrophobicContact CB-CD1 3.49Å; F1253-L1284 VanDerWaalsContact CB-CD1 3.49Å |
| 1254 | Q | 82.8 | Confident | 81.7 | Confident | 103 Ų | 103 | 51.6 Ų | 51.6 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 178.6 | -176.8 | 62.3 | 52.5 | 0 | 0 | 111.8 | E1252 S1256 V1257 D1258 | E1252-Q1254 PolarHBondContact O-N 3.08Å; Q1254-S1256 VanDerWaalsContact C-N 3.29Å; Q1254-S1256 PolarHBondContact O-N 3.23Å; Q1254-V1257 PolarHBondContact O-N 3.32Å; Q1254-D1258 PolarHBondContact O-N 3.25Å |
| 1255 | G | 82.9 | Confident | 81.8 | Confident | 27 Ų | 27 | 54 Ų | 54 | 28% | 0.278 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.7 | -36.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1247 E1252 F1253 D1258 A1259 | L1247-G1255 VanDerWaalsContact CD1-C 3.41Å; L1247-G1255 WeakPolarHBondContact CD1-O 3.33Å; E1252-G1255 PolarHBondContact O-N 2.87Å; F1253-G1255 PolarHBondContact O-N 3.4Å; G1255-D1258 PolarHBondContact O-N 2.92Å; G1255-A1259 WeakPolarHBondContact O-CB 3.41Å; G1255-A1259 PolarHBondContact O-N 2.88Å |
| 1256 | S | 83.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 175.6 | -175.4 | 0 | 0 | 0 | 0 | 112.6 | A1244 V1248 E1252 F1253 Q1254 A1259 A1260 V1272 | A1244-S1256 WeakPolarHBondContact O-CB 3.22Å; A1244-S1256 PolarHBondContact O-OG 3.5Å; V1248-S1256 WeakPolarHBondContact CG2-OG 3.45Å; E1252-S1256 PolarHBondContact O-N 3.34Å; F1253-S1256 WeakPolarHBondContact O-CB 3.37Å; F1253-S1256 PolarHBondContact O-N 2.95Å; Q1254-S1256 VanDerWaalsContact C-N 3.29Å; Q1254-S1256 PolarHBondContact O-N 3.23Å; S1256-A1259 PolarHBondContact O-N 2.99Å; S1256-A1260 WeakPolarHBondContact O-CB 3.36Å; S1256-A1260 PolarHBondContact O-N 3.42Å; S1256-V1272 WeakPolarHBondContact OG-CG2 3.4Å |
| 1257 | V | 82.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 111.8 | F1253 Q1254 A1259 A1260 R1261 W1269 V1272 L1284 M1287 | F1253-V1257 WeakPolarHBondContact O-CG2 3.13Å; F1253-V1257 PolarHBondContact O-N 3.29Å; Q1254-V1257 PolarHBondContact O-N 3.32Å; V1257-A1259 VanDerWaalsContact C-N 3.32Å; V1257-A1260 PolarHBondContact O-N 3.15Å; V1257-R1261 WeakPolarHBondContact O-CB 3.37Å; V1257-R1261 PolarHBondContact O-N 3.4Å; V1257-W1269 HydrophobicContact CG1-CH2 4.5Å; V1257-W1269 HydrophobicContact CG1-CZ3 4.21Å; V1257-V1272 HydrophobicContact CG2-CG1 4.18Å; V1257-L1284 HydrophobicContact CG2-CB 3.93Å; V1257-L1284 HydrophobicContact CG2-CD1 4.46Å; V1257-L1284 HydrophobicContact CG2-CD2 4.04Å; V1257-L1284 HydrophobicContact CG2-CG 4.36Å; V1257-M1287 HydrophobicContact CG1-CE 3.91Å |
| 1258 | D | 84.2 | Confident | 82 | Confident | 58 Ų | 58 | 60.5 Ų | 60.5 | 31% | 0.31 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.6 | -33.2 | 177.8 | -71.3 | -39.2 | 0 | 0 | 0 | 112.1 | Q1254 G1255 R1261 K1262 | Q1254-D1258 PolarHBondContact O-N 3.25Å; G1255-D1258 PolarHBondContact O-N 2.92Å; D1258-R1261 IonicContact OD1-CZ 2.66Å; D1258-R1261 IonicContact OD1-NH1 3.42Å; D1258-R1261 PolarHBondContact OD1-NH1 3.48Å; D1258-R1261 IonicContact OD1-NH2 2.68Å; D1258-K1262 WeakPolarHBondContact O-CG 3.47Å; D1258-K1262 PolarHBondContact O-N 3.48Å |
| 1259 | A | 83 | Confident | 82.3 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 3% | 0.033 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.6 | -46.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1240 L1243 A1244 L1247 G1255 S1256 V1257 R1261 K1262 A1263 | F1240-A1259 HydrophobicContact CB-CB 4.5Å; F1240-A1259 VanDerWaalsContact CB-O 3.3Å; F1240-A1259 WeakPolarHBondContact CB-O 3.33Å; L1243-A1259 HydrophobicContact CB-CB 4.39Å; L1243-A1259 HydrophobicContact CD2-CB 4.19Å; L1243-A1259 HydrophobicContact CG-CB 4.23Å; A1244-A1259 HydrophobicContact CB-CB 3.84Å; L1247-A1259 HydrophobicContact CD1-CB 4.24Å; G1255-A1259 WeakPolarHBondContact O-CB 3.41Å; G1255-A1259 PolarHBondContact O-N 2.88Å; S1256-A1259 PolarHBondContact O-N 2.99Å; V1257-A1259 VanDerWaalsContact C-N 3.32Å; A1259-R1261 PolarHBondContact O-N 3.3Å; A1259-K1262 PolarHBondContact O-N 2.7Å; A1259-A1263 PolarHBondContact O-N 2.99Å |
| 1260 | A | 83.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.6 | -38.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1244 S1256 V1257 K1262 A1263 N1264 W1269 V1272 | A1244-A1260 HydrophobicContact CB-CB 4.27Å; S1256-A1260 WeakPolarHBondContact O-CB 3.36Å; S1256-A1260 PolarHBondContact O-N 3.42Å; V1257-A1260 PolarHBondContact O-N 3.15Å; A1260-K1262 VanDerWaalsContact C-N 3.34Å; A1260-K1262 PolarHBondContact O-N 2.65Å; A1260-A1263 PolarHBondContact O-N 2.95Å; A1260-N1264 PolarHBondContact O-N 2.9Å; A1260-W1269 HydrophobicContact CB-CD2 3.96Å; A1260-W1269 HydrophobicContact CB-CE3 3.6Å; A1260-W1269 HydrophobicContact CB-CH2 4.09Å; A1260-W1269 HydrophobicContact CB-CZ2 4.42Å; A1260-W1269 HydrophobicContact CB-CZ3 3.66Å; A1260-V1272 HydrophobicContact CB-CG2 4.27Å |
| 1261 | R | 82.8 | Confident | 82.7 | Confident | 118 Ų | 118 | 56 Ų | 56 | 45% | 0.445 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 173.5 | -165.8 | -174.4 | -64.2 | 129.2 | 8.2 | 113.1 | V1257 D1258 A1259 W1269 M1287 | V1257-R1261 WeakPolarHBondContact O-CB 3.37Å; V1257-R1261 PolarHBondContact O-N 3.4Å; D1258-R1261 IonicContact OD1-CZ 2.66Å; D1258-R1261 IonicContact OD1-NH1 3.42Å; D1258-R1261 PolarHBondContact OD1-NH1 3.48Å; D1258-R1261 IonicContact OD1-NH2 2.68Å; A1259-R1261 PolarHBondContact O-N 3.3Å; R1261-W1269 HydrophobicContact CB-CH2 3.86Å; R1261-W1269 HydrophobicContact CB-CZ2 3.95Å; R1261-W1269 HydrophobicContact CG-CH2 4.49Å; R1261-W1269 HydrophobicContact CG-CZ2 4.36Å; R1261-M1287 VanDerWaalsContact NH2-CE 3.25Å |
| 1262 | K | 81.5 | Confident | 83 | Confident | 134 Ų | 134 | 50.2 Ų | 50.2 | 58% | 0.583 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -74.8 | -31.1 | 177 | -66.7 | 177.6 | -176.6 | 178 | 0 | 112.5 | F1240 D1258 A1259 A1260 | F1240-K1262 HydrophobicContact CB-CB 3.9Å; F1240-K1262 HydrophobicContact CD1-CB 3.87Å; F1240-K1262 HydrophobicContact CD1-CD 3.65Å; F1240-K1262 HydrophobicContact CD1-CG 4.43Å; F1240-K1262 HydrophobicContact CD2-CB 3.44Å; F1240-K1262 VanDerWaalsContact CD2-CB 3.44Å; F1240-K1262 HydrophobicContact CD2-CD 4.28Å; F1240-K1262 HydrophobicContact CD2-CG 4.49Å; F1240-K1262 HydrophobicContact CE1-CB 4.29Å; F1240-K1262 HydrophobicContact CE1-CD 3.39Å; F1240-K1262 HydrophobicContact CE2-CB 3.88Å; F1240-K1262 HydrophobicContact CE2-CD 4.03Å; F1240-K1262 HydrophobicContact CG-CB 3.44Å; F1240-K1262 VanDerWaalsContact CG-CB 3.44Å; F1240-K1262 HydrophobicContact CG-CD 4.11Å; F1240-K1262 HydrophobicContact CG-CG 4.44Å; F1240-K1262 HydrophobicContact CZ-CB 4.29Å; F1240-K1262 HydrophobicContact CZ-CD 3.6Å; D1258-K1262 WeakPolarHBondContact O-CG 3.47Å; D1258-K1262 PolarHBondContact O-N 3.48Å; A1259-K1262 PolarHBondContact O-N 2.7Å; A1260-K1262 VanDerWaalsContact C-N 3.34Å; A1260-K1262 PolarHBondContact O-N 2.65Å |
| 1263 | A | 80.3 | Confident | 83.2 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 26% | 0.256 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -72.1 | -35.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1240 A1241 A1259 A1260 S1265 T1268 | F1240-A1263 HydrophobicContact CB-CB 3.88Å; A1241-A1263 HydrophobicContact CB-CB 4.15Å; A1259-A1263 PolarHBondContact O-N 2.99Å; A1260-A1263 PolarHBondContact O-N 2.95Å; A1263-S1265 PolarHBondContact O-N 2.85Å; A1263-S1265 VanDerWaalsContact O-N 3.16Å; A1263-T1268 HydrophobicContact CB-CG2 4.46Å |
| 1264 | N | 82.8 | Confident | 83.5 | Confident | 123 Ų | 123 | 46.9 Ų | 46.9 | 66% | 0.658 | 24% | 0.236 | S | C | * | . | trans | 49.4 | 38.4 | 179.1 | -163.9 | 39.1 | 0 | 0 | 0 | 114.1 | A1260 | A1260-N1264 PolarHBondContact O-N 2.9Š| ||
| 1265 | S | 82.8 | Confident | 83.6 | Confident | 51 Ų | 51 | 43 Ų | 43 | 36% | 0.357 | 22% | 0.222 | S | C | . | . | trans | -111.7 | 131 | 177.5 | 174 | 0 | 0 | 0 | 0 | 110.7 | A1263 K1267 T1268 W1269 | A1263-S1265 PolarHBondContact O-N 2.85Å; A1263-S1265 VanDerWaalsContact O-N 3.16Å; S1265-K1267 PolarHBondContact O-N 2.85Å; S1265-T1268 PolarHBondContact O-N 3.42Å; S1265-T1268 PolarHBondContact O-OG1 2.88Å; S1265-W1269 VanDerWaalsContact O-CD1 3.31Å; S1265-W1269 PolarHBondContact O-N 2.83Å | ||
| 1266 | T | 83.2 | Confident | 83.7 | Confident | 36 Ų | 36 | 41.8 Ų | 41.8 | 22% | 0.221 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.3 | -38.7 | -179.9 | -44.1 | 0 | 0 | 0 | 0 | 112 | T1268 W1269 K1270 H1295 E1298 | T1266-T1268 PolarHBondContact O-N 3.36Å; T1266-W1269 PolarHBondContact O-N 3.45Å; T1266-K1270 WeakPolarHBondContact O-CB 3.5Å; T1266-K1270 PolarHBondContact O-N 2.96Å; T1266-H1295 HydrophobicContact CG2-CB 4.44Å; T1266-H1295 PolarHBondContact OG1-CE1 3.47Å; T1266-H1295 PolarHBondContact OG1-NE2 3.26Å; T1266-H1295 VanDerWaalsContact OG1-NE2 3.1Å; T1266-E1298 HydrophobicContact CG2-CG 4.07Å |
| 1267 | K | 82.6 | Confident | 83.7 | Confident | 145 Ų | 145 | 41.8 Ų | 41.8 | 63% | 0.63 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -59.9 | -44.5 | 176 | -173.9 | 177.6 | 178.2 | 179.6 | 0 | 111.9 | S1265 K1270 E1271 | S1265-K1267 PolarHBondContact O-N 2.85Å; K1267-K1270 PolarHBondContact O-N 3.12Å; K1267-E1271 WeakPolarHBondContact CE-OE1 3.49Å; K1267-E1271 WeakPolarHBondContact O-CG 3.41Å; K1267-E1271 PolarHBondContact O-N 3.42Å |
| 1268 | T | 83.8 | Confident | 83.7 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.5 | -41.9 | 179 | 57.5 | 0 | 0 | 0 | 0 | 111.9 | A1241 A1263 S1265 T1266 K1270 E1271 V1272 | A1241-T1268 HydrophobicContact CB-CG2 3.41Å; A1241-T1268 VanDerWaalsContact CB-CG2 3.41Å; A1263-T1268 HydrophobicContact CB-CG2 4.46Å; S1265-T1268 PolarHBondContact O-N 3.42Å; S1265-T1268 PolarHBondContact O-OG1 2.88Å; T1266-T1268 PolarHBondContact O-N 3.36Å; T1268-K1270 VanDerWaalsContact C-N 3.3Å; T1268-K1270 PolarHBondContact O-N 2.96Å; T1268-E1271 PolarHBondContact O-N 3.32Å; T1268-V1272 WeakPolarHBondContact O-CB 3.12Å; T1268-V1272 VanDerWaalsContact O-CG2 3.22Å; T1268-V1272 WeakPolarHBondContact O-CG2 3.28Å; T1268-V1272 PolarHBondContact O-N 3.06Å |
| 1269 | W | 87.3 | Confident | 83.5 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 2% | 0.023 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -41.3 | 175.2 | -75.8 | 122.3 | 0 | 0 | 0 | 111.9 | V1257 A1260 R1261 S1265 T1266 C1273 C1288 H1291 I1292 | V1257-W1269 HydrophobicContact CG1-CH2 4.5Å; V1257-W1269 HydrophobicContact CG1-CZ3 4.21Å; A1260-W1269 HydrophobicContact CB-CD2 3.96Å; A1260-W1269 HydrophobicContact CB-CE3 3.6Å; A1260-W1269 HydrophobicContact CB-CH2 4.09Å; A1260-W1269 HydrophobicContact CB-CZ2 4.42Å; A1260-W1269 HydrophobicContact CB-CZ3 3.66Å; R1261-W1269 HydrophobicContact CB-CH2 3.86Å; R1261-W1269 HydrophobicContact CB-CZ2 3.95Å; R1261-W1269 HydrophobicContact CG-CH2 4.49Å; R1261-W1269 HydrophobicContact CG-CZ2 4.36Å; S1265-W1269 VanDerWaalsContact O-CD1 3.31Å; S1265-W1269 PolarHBondContact O-N 2.83Å; T1266-W1269 PolarHBondContact O-N 3.45Å; W1269-C1273 WeakPolarHBondContact O-CB 3.18Å; W1269-C1273 PolarHBondContact O-N 2.6Å; W1269-C1288 HydrophobicContact CE3-CB 3.74Å; W1269-C1288 VanDerWaalsContact CE3-SG 3.57Å; W1269-C1288 HydrophobicContact CZ3-CB 4.17Å; W1269-C1288 VanDerWaalsContact CZ3-SG 3.57Å; W1269-H1291 HydrophobicContact CB-CB 4.5Å; W1269-H1291 HydrophobicContact CD2-CB 3.89Å; W1269-H1291 AromaticContact CE2-CD2 3.63Å; W1269-H1291 AromaticContact CE2-CG 3.66Å; W1269-H1291 HydrophobicContact CG-CB 3.83Å; W1269-H1291 AromaticContact CH2-CD2 3.57Å; W1269-H1291 AromaticContact CH2-NE2 3.96Å; W1269-H1291 HydrophobicContact CZ2-CB 4.33Å; W1269-H1291 AromaticContact CZ2-CD2 3.27Å; W1269-H1291 WeakPolarHBondContact CZ2-CD2 3.46Å; W1269-H1291 AromaticContact CZ2-CG 3.74Å; W1269-H1291 AromaticContact CZ2-NE2 3.63Å; W1269-H1291 AromaticContact NE1-CG 3.82Å; W1269-I1292 HydrophobicContact CB-CD1 4.34Å; W1269-I1292 HydrophobicContact CB-CG1 3.82Å |
| 1270 | K | 85.3 | Confident | 83.5 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 14% | 0.139 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.6 | -50.5 | 178.3 | -174.3 | 177.4 | 179.6 | 174.6 | 0 | 112.8 | T1266 K1267 T1268 V1272 C1273 F1274 I1292 E1298 E1301 | T1266-K1270 WeakPolarHBondContact O-CB 3.5Å; T1266-K1270 PolarHBondContact O-N 2.96Å; K1267-K1270 PolarHBondContact O-N 3.12Å; T1268-K1270 VanDerWaalsContact C-N 3.3Å; T1268-K1270 PolarHBondContact O-N 2.96Å; K1270-V1272 PolarHBondContact O-N 2.91Å; K1270-C1273 PolarHBondContact O-N 2.93Å; K1270-F1274 HydrophobicContact CD-CE2 4.26Å; K1270-F1274 HydrophobicContact CD-CZ 4.4Å; K1270-F1274 HydrophobicContact CG-CD2 4.13Å; K1270-F1274 HydrophobicContact CG-CE1 4.29Å; K1270-F1274 HydrophobicContact CG-CE2 3.69Å; K1270-F1274 HydrophobicContact CG-CZ 3.79Å; K1270-F1274 WeakPolarHBondContact O-CB 3.18Å; K1270-F1274 VanDerWaalsContact O-CG 3.32Å; K1270-F1274 WeakPolarHBondContact O-CG 3.07Å; K1270-F1274 PolarHBondContact O-N 3.48Å; K1270-I1292 HydrophobicContact CB-CD1 4.22Å; K1270-E1298 WeakPolarHBondContact CD-OE2 3.49Å; K1270-E1298 WeakPolarHBondContact CE-OE2 3.49Å; K1270-E1298 IonicContact NZ-OE2 3.61Å; K1270-E1298 PolarHBondContact NZ-OE2 2.98Å; K1270-E1301 WeakPolarHBondContact CE-OE1 3.46Å; K1270-E1301 IonicContact NZ-OE1 3.71Å; K1270-E1301 PolarHBondContact NZ-OE1 2.81Å; K1270-E1301 IonicContact NZ-OE2 2.71Å; K1270-E1301 PolarHBondContact NZ-OE2 3.03Å |
| 1271 | E | 83 | Confident | 83.6 | Confident | 76 Ų | 76 | 56 Ų | 56 | 36% | 0.355 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 177.9 | -71.5 | 175.4 | -167.2 | 0 | 0 | 111.7 | I1245 K1267 T1268 A1275 | I1245-E1271 WeakPolarHBondContact CD1-OE2 3.38Å; I1245-E1271 WeakPolarHBondContact CG1-OE2 3.33Å; K1267-E1271 WeakPolarHBondContact CE-OE1 3.49Å; K1267-E1271 WeakPolarHBondContact O-CG 3.41Å; K1267-E1271 PolarHBondContact O-N 3.42Å; T1268-E1271 PolarHBondContact O-N 3.32Å; E1271-A1275 WeakPolarHBondContact O-CB 3.21Å; E1271-A1275 PolarHBondContact O-N 3.21Å |
| 1272 | V | 85.1 | Confident | 83.6 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 177.2 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | A1244 V1248 S1256 V1257 A1260 T1268 K1270 A1275 C1276 | A1244-V1272 HydrophobicContact CB-CG2 4.01Å; V1248-V1272 HydrophobicContact CG2-CG1 4.45Å; V1248-V1272 HydrophobicContact CG2-CG2 4.05Å; S1256-V1272 WeakPolarHBondContact OG-CG2 3.4Å; V1257-V1272 HydrophobicContact CG2-CG1 4.18Å; A1260-V1272 HydrophobicContact CB-CG2 4.27Å; T1268-V1272 WeakPolarHBondContact O-CB 3.12Å; T1268-V1272 VanDerWaalsContact O-CG2 3.22Å; T1268-V1272 WeakPolarHBondContact O-CG2 3.28Å; T1268-V1272 PolarHBondContact O-N 3.06Å; K1270-V1272 PolarHBondContact O-N 2.91Å; V1272-A1275 PolarHBondContact O-N 3.11Å; V1272-C1276 WeakPolarHBondContact O-CB 3.47Å; V1272-C1276 PolarHBondContact O-N 3.27Å; V1272-C1276 PolarHBondContact O-SG 3.43Å |
| 1273 | C | 85.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.1 | -52.1 | 176.3 | -174 | 0 | 0 | 0 | 0 | 110.8 | W1269 K1270 A1275 C1276 V1277 A1285 C1288 I1292 | W1269-C1273 WeakPolarHBondContact O-CB 3.18Å; W1269-C1273 PolarHBondContact O-N 2.6Å; K1270-C1273 PolarHBondContact O-N 2.93Å; C1273-A1275 VanDerWaalsContact C-N 3.34Å; C1273-A1275 PolarHBondContact O-N 3.36Å; C1273-C1276 PolarHBondContact O-N 3.13Å; C1273-C1276 VanDerWaalsContact O-N 3.15Å; C1273-V1277 WeakPolarHBondContact O-CG2 3.43Å; C1273-V1277 PolarHBondContact O-N 3.09Å; C1273-A1285 PolarHBondContact SG-O 2.76Å; C1273-C1288 HydrophobicContact CB-CB 3.63Å; C1273-I1292 HydrophobicContact CB-CD1 3.5Å |
| 1274 | F | 86.7 | Confident | 83.9 | Confident | 33 Ų | 33 | 55 Ų | 55 | 15% | 0.145 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | -179.4 | -67.7 | -6.8 | 0 | 0 | 0 | 111.9 | K1270 C1276 V1277 D1278 E1301 L1302 N1305 | K1270-F1274 HydrophobicContact CD-CE2 4.26Å; K1270-F1274 HydrophobicContact CD-CZ 4.4Å; K1270-F1274 HydrophobicContact CG-CD2 4.13Å; K1270-F1274 HydrophobicContact CG-CE1 4.29Å; K1270-F1274 HydrophobicContact CG-CE2 3.69Å; K1270-F1274 HydrophobicContact CG-CZ 3.79Å; K1270-F1274 WeakPolarHBondContact O-CB 3.18Å; K1270-F1274 VanDerWaalsContact O-CG 3.32Å; K1270-F1274 WeakPolarHBondContact O-CG 3.07Å; K1270-F1274 PolarHBondContact O-N 3.48Å; F1274-C1276 PolarHBondContact O-N 3.1Å; F1274-V1277 PolarHBondContact O-N 2.83Å; F1274-D1278 WeakPolarHBondContact O-CB 3.19Å; F1274-D1278 PolarHBondContact O-N 3.37Å; F1274-E1301 HydrophobicContact CZ-CG 4.46Å; F1274-L1302 HydrophobicContact CD1-CD1 4.49Å; F1274-L1302 HydrophobicContact CE1-CD1 3.79Å; F1274-N1305 HydrophobicContact CD1-CB 4.23Å; F1274-N1305 WeakPolarHBondContact CD1-ND2 3.37Å; F1274-N1305 VanDerWaalsContact CD2-ND2 3.33Å; F1274-N1305 WeakPolarHBondContact CD2-ND2 3.44Å; F1274-N1305 HydrophobicContact CE1-CB 3.71Å; F1274-N1305 VanDerWaalsContact CE1-ND2 3.31Å; F1274-N1305 WeakPolarHBondContact CE1-ND2 3.24Å; F1274-N1305 WeakPolarHBondContact CE2-ND2 3.43Å; F1274-N1305 WeakPolarHBondContact CG-ND2 3.26Å; F1274-N1305 HydrophobicContact CZ-CB 3.97Å; F1274-N1305 WeakPolarHBondContact CZ-ND2 3.22Å |
| 1275 | A | 83.2 | Confident | 84 | Confident | 22 Ų | 22 | 49.1 Ų | 49.1 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -39 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1248 E1271 V1272 C1273 D1278 A1279 | V1248-A1275 HydrophobicContact CG1-CB 3.42Å; V1248-A1275 VanDerWaalsContact CG1-CB 3.42Å; V1248-A1275 HydrophobicContact CG2-CB 4.32Å; E1271-A1275 WeakPolarHBondContact O-CB 3.21Å; E1271-A1275 PolarHBondContact O-N 3.21Å; V1272-A1275 PolarHBondContact O-N 3.11Å; C1273-A1275 VanDerWaalsContact C-N 3.34Å; C1273-A1275 PolarHBondContact O-N 3.36Å; A1275-D1278 PolarHBondContact O-N 3.25Å; A1275-A1279 VanDerWaalsContact O-CB 3.29Å; A1275-A1279 WeakPolarHBondContact O-CB 3.48Å; A1275-A1279 PolarHBondContact O-N 3.2Å |
| 1276 | C | 84.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -38 | 174.3 | -68.5 | 0 | 0 | 0 | 0 | 111.5 | V1272 C1273 F1274 A1279 K1280 E1281 A1285 | V1272-C1276 WeakPolarHBondContact O-CB 3.47Å; V1272-C1276 PolarHBondContact O-N 3.27Å; V1272-C1276 PolarHBondContact O-SG 3.43Å; C1273-C1276 PolarHBondContact O-N 3.13Å; C1273-C1276 VanDerWaalsContact O-N 3.15Å; F1274-C1276 PolarHBondContact O-N 3.1Å; C1276-A1279 CarbonylContact O-C 3.56Å; C1276-A1279 PolarHBondContact O-N 3.39Å; C1276-K1280 PolarHBondContact O-N 3.11Å; C1276-E1281 HydrophobicContact CB-CB 4.27Å; C1276-E1281 PolarHBondContact O-N 2.63Å; C1276-A1285 HydrophobicContact CB-CB 3.76Å |
| 1277 | V | 84.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.4 | -45 | 174.4 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | C1273 F1274 A1279 K1280 A1285 Y1306 Y1311 | C1273-V1277 WeakPolarHBondContact O-CG2 3.43Å; C1273-V1277 PolarHBondContact O-N 3.09Å; F1274-V1277 PolarHBondContact O-N 2.83Å; V1277-A1279 VanDerWaalsContact C-N 3.29Å; V1277-A1279 PolarHBondContact O-N 2.96Å; V1277-K1280 PolarHBondContact O-N 3.06Å; V1277-K1280 VanDerWaalsContact O-N 3.08Å; V1277-A1285 HydrophobicContact CG2-CB 3.8Å; V1277-Y1306 HydrophobicContact CG2-CD2 4.43Å; V1277-Y1306 HydrophobicContact CG2-CE1 3.94Å; V1277-Y1306 HydrophobicContact CG2-CE2 3.64Å; V1277-Y1306 VanDerWaalsContact CG2-OH 3.29Å; V1277-Y1306 WeakPolarHBondContact CG2-OH 3.46Å; V1277-Y1311 HydrophobicContact CG1-CD2 3.84Å; V1277-Y1311 HydrophobicContact CG1-CE2 4.07Å |
| 1278 | D | 81.9 | Confident | 84.4 | Confident | 94 Ų | 94 | 44 Ų | 44 | 50% | 0.503 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.3 | -36.3 | 177.2 | -72.8 | -26.8 | 0 | 0 | 0 | 111.7 | F1274 A1275 K1280 R1309 | F1274-D1278 WeakPolarHBondContact O-CB 3.19Å; F1274-D1278 PolarHBondContact O-N 3.37Å; A1275-D1278 PolarHBondContact O-N 3.25Å; D1278-K1280 VanDerWaalsContact C-N 3.3Å; D1278-K1280 PolarHBondContact O-N 3.04Å; D1278-R1309 IonicContact OD1-CZ 3.92Å; D1278-R1309 IonicContact OD1-NE 3.69Å; D1278-R1309 PolarHBondContact OD1-NE 2.79Å; D1278-R1309 IonicContact OD1-NH2 2.79Å; D1278-R1309 PolarHBondContact OD1-NH2 2.89Å; D1278-R1309 IonicContact OD2-NH2 3.98Å; D1278-R1309 PolarHBondContact OD2-NH2 3.15Å |
| 1279 | A | 81.2 | Confident | 84.6 | Confident | 42 Ų | 42 | 43.7 Ų | 43.7 | 35% | 0.347 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -1.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F1253 A1275 C1276 V1277 E1281 | F1253-A1279 HydrophobicContact CE1-CB 3.78Å; F1253-A1279 HydrophobicContact CE2-CB 3.84Å; F1253-A1279 HydrophobicContact CZ-CB 3.31Å; A1275-A1279 VanDerWaalsContact O-CB 3.29Å; A1275-A1279 WeakPolarHBondContact O-CB 3.48Å; A1275-A1279 PolarHBondContact O-N 3.2Å; C1276-A1279 CarbonylContact O-C 3.56Å; C1276-A1279 PolarHBondContact O-N 3.39Å; V1277-A1279 VanDerWaalsContact C-N 3.29Å; V1277-A1279 PolarHBondContact O-N 2.96Å; A1279-E1281 HydrophobicContact CB-CG 4.44Å; A1279-E1281 PolarHBondContact O-N 2.78Å |
| 1280 | K | 82.5 | Confident | 84.6 | Confident | 137 Ų | 137 | 45.4 Ų | 45.4 | 60% | 0.596 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 23.4 | -175.2 | -54.4 | 179 | 178.8 | 179.4 | 0 | 114.9 | C1276 V1277 D1278 F1282 | C1276-K1280 PolarHBondContact O-N 3.11Å; V1277-K1280 PolarHBondContact O-N 3.06Å; V1277-K1280 VanDerWaalsContact O-N 3.08Å; D1278-K1280 VanDerWaalsContact C-N 3.3Å; D1278-K1280 PolarHBondContact O-N 3.04Å; K1280-F1282 VanDerWaalsContact C-N 3.32Å; K1280-F1282 HydrophobicContact CB-CE2 4Å; K1280-F1282 HydrophobicContact CB-CZ 4.14Å; K1280-F1282 HydrophobicContact CG-CZ 4.37Å; K1280-F1282 WeakPolarHBondContact O-CD2 3.46Å; K1280-F1282 PolarHBondContact O-N 3.25Å; K1280-F1282 VanDerWaalsContact O-N 3.16Å |
| 1281 | E | 84.7 | Confident | 84.6 | Confident | 87 Ų | 87 | 47.7 Ų | 47.7 | 41% | 0.407 | 23% | 0.227 | S | C | . | . | trans | -86.9 | 66.9 | 174.3 | -72.9 | -66.2 | 169.5 | 0 | 0 | 110.9 | F1253 C1276 A1279 R1283 L1284 A1285 | F1253-E1281 HydrophobicContact CD2-CG 3.95Å; F1253-E1281 HydrophobicContact CE2-CG 4.37Å; F1253-E1281 HydrophobicContact CG-CG 4.31Å; C1276-E1281 HydrophobicContact CB-CB 4.27Å; C1276-E1281 PolarHBondContact O-N 2.63Å; A1279-E1281 HydrophobicContact CB-CG 4.44Å; A1279-E1281 PolarHBondContact O-N 2.78Å; E1281-R1283 VanDerWaalsContact C-N 3.33Å; E1281-R1283 PolarHBondContact O-N 2.84Å; E1281-L1284 PolarHBondContact O-N 2.75Å; E1281-A1285 PolarHBondContact O-N 3.45Å | ||
| 1282 | F | 84.2 | Confident | 84.8 | Confident | 47 Ų | 47 | 44.1 Ų | 44.1 | 21% | 0.206 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.7 | -32.1 | -169.8 | -59.9 | -65.4 | 0 | 0 | 0 | 114.4 | K1280 L1284 A1285 Q1286 Y1311 E1314 | K1280-F1282 VanDerWaalsContact C-N 3.32Å; K1280-F1282 HydrophobicContact CB-CE2 4Å; K1280-F1282 HydrophobicContact CB-CZ 4.14Å; K1280-F1282 HydrophobicContact CG-CZ 4.37Å; K1280-F1282 WeakPolarHBondContact O-CD2 3.46Å; K1280-F1282 PolarHBondContact O-N 3.25Å; K1280-F1282 VanDerWaalsContact O-N 3.16Å; F1282-L1284 VanDerWaalsContact C-N 3.33Å; F1282-L1284 PolarHBondContact O-N 2.85Å; F1282-A1285 PolarHBondContact O-N 2.96Å; F1282-Q1286 WeakPolarHBondContact O-CB 3.44Å; F1282-Q1286 PolarHBondContact O-N 2.85Å; F1282-Y1311 HydrophobicContact CE1-CD1 4.14Å; F1282-Y1311 HydrophobicContact CE1-CD2 4.01Å; F1282-Y1311 HydrophobicContact CE1-CE1 4.37Å; F1282-Y1311 HydrophobicContact CE1-CE2 4.23Å; F1282-Y1311 AromaticContact CE1-CG 3.96Å; F1282-Y1311 HydrophobicContact CE1-CG 3.96Å; F1282-Y1311 AromaticContact CZ-CD1 3.88Å; F1282-Y1311 HydrophobicContact CZ-CD1 3.88Å; F1282-Y1311 HydrophobicContact CZ-CD2 4.38Å; F1282-Y1311 AromaticContact CZ-CE1 3.8Å; F1282-Y1311 HydrophobicContact CZ-CE1 3.8Å; F1282-Y1311 HydrophobicContact CZ-CE2 4.28Å; F1282-Y1311 HydrophobicContact CZ-CG 4.19Å; F1282-E1314 HydrophobicContact CB-CG 4.27Å; F1282-E1314 HydrophobicContact CD1-CB 4.18Å; F1282-E1314 HydrophobicContact CD1-CG 3.76Å; F1282-E1314 HydrophobicContact CD2-CG 4.36Å; F1282-E1314 HydrophobicContact CE1-CG 4.16Å; F1282-E1314 HydrophobicContact CG-CG 3.87Å |
| 1283 | R | 83.5 | Confident | 85 | Confident | 202 Ų | 202 | 44 Ų | 44 | 76% | 0.762 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -63.2 | -42 | 178 | -174.1 | -179.9 | -179 | 179.5 | 0.6 | 111.7 | E1281 M1287 | E1281-R1283 VanDerWaalsContact C-N 3.33Å; E1281-R1283 PolarHBondContact O-N 2.84Å; R1283-M1287 PolarHBondContact O-N 2.99Å |
| 1284 | L | 83.8 | Confident | 85 | Confident | 13 Ų | 13 | 45.1 Ų | 45.1 | 7% | 0.068 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -74.7 | -39.2 | 177.2 | -63.8 | -179.5 | 0 | 0 | 0 | 110.6 | F1253 V1257 E1281 F1282 Q1286 M1287 C1288 | F1253-L1284 HydrophobicContact CB-CD1 3.49Å; F1253-L1284 VanDerWaalsContact CB-CD1 3.49Å; V1257-L1284 HydrophobicContact CG2-CB 3.93Å; V1257-L1284 HydrophobicContact CG2-CD1 4.46Å; V1257-L1284 HydrophobicContact CG2-CD2 4.04Å; V1257-L1284 HydrophobicContact CG2-CG 4.36Å; E1281-L1284 PolarHBondContact O-N 2.75Å; F1282-L1284 VanDerWaalsContact C-N 3.33Å; F1282-L1284 PolarHBondContact O-N 2.85Å; L1284-Q1286 VanDerWaalsContact C-N 3.29Å; L1284-Q1286 PolarHBondContact O-N 3.31Å; L1284-M1287 HydrophobicContact CD2-SD 4.25Å; L1284-M1287 PolarHBondContact O-N 2.9Å; L1284-C1288 PolarHBondContact O-N 2.8Å; L1284-C1288 PolarHBondContact O-SG 2.93Å |
| 1285 | A | 84.9 | Confident | 85 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59 | -38.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C1273 C1276 V1277 E1281 F1282 C1288 G1289 Y1306 | C1273-A1285 PolarHBondContact SG-O 2.76Å; C1276-A1285 HydrophobicContact CB-CB 3.76Å; V1277-A1285 HydrophobicContact CG2-CB 3.8Å; E1281-A1285 PolarHBondContact O-N 3.45Å; F1282-A1285 PolarHBondContact O-N 2.96Å; A1285-C1288 PolarHBondContact O-N 3.29Å; A1285-G1289 WeakPolarHBondContact O-CA 3.17Å; A1285-G1289 PolarHBondContact O-N 3.01Å; A1285-Y1306 WeakPolarHBondContact CB-OH 3.42Å |
| 1286 | Q | 86.8 | Confident | 84.9 | Confident | 61 Ų | 61 | 48.1 Ų | 48.1 | 29% | 0.285 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 176 | -168.7 | -175.8 | 29.9 | 0 | 0 | 111.1 | F1282 L1284 C1288 G1289 L1290 N1317 L1318 | F1282-Q1286 WeakPolarHBondContact O-CB 3.44Å; F1282-Q1286 PolarHBondContact O-N 2.85Å; L1284-Q1286 VanDerWaalsContact C-N 3.29Å; L1284-Q1286 PolarHBondContact O-N 3.31Å; Q1286-C1288 VanDerWaalsContact C-N 3.33Å; Q1286-C1288 PolarHBondContact O-N 2.9Å; Q1286-G1289 PolarHBondContact O-N 2.83Å; Q1286-L1290 WeakPolarHBondContact O-CG 3.34Å; Q1286-L1290 PolarHBondContact O-N 2.84Å; Q1286-N1317 PolarHBondContact NE2-O 3.35Å; Q1286-L1318 HydrophobicContact CG-CB 4.48Å; Q1286-L1318 HydrophobicContact CG-CD1 4.07Å; Q1286-L1318 WeakPolarHBondContact O-CD1 3.34Å |
| 1287 | M | 84.8 | Confident | 84.9 | Confident | 64 Ų | 64 | 55.4 Ų | 55.4 | 32% | 0.315 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 176.2 | -71.2 | 171.8 | 62.3 | 0 | 0 | 111.8 | V1257 R1261 R1283 L1284 H1291 | V1257-M1287 HydrophobicContact CG1-CE 3.91Å; R1261-M1287 VanDerWaalsContact NH2-CE 3.25Å; R1283-M1287 PolarHBondContact O-N 2.99Å; L1284-M1287 HydrophobicContact CD2-SD 4.25Å; L1284-M1287 PolarHBondContact O-N 2.9Å; M1287-H1291 PolarHBondContact O-CD2 3.34Å; M1287-H1291 VanDerWaalsContact O-CD2 3.32Å |
| 1288 | C | 85.1 | Confident | 85 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.2 | -44.1 | 175.6 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | W1269 C1273 L1284 A1285 Q1286 L1290 H1291 I1292 | W1269-C1288 HydrophobicContact CE3-CB 3.74Å; W1269-C1288 VanDerWaalsContact CE3-SG 3.57Å; W1269-C1288 HydrophobicContact CZ3-CB 4.17Å; W1269-C1288 VanDerWaalsContact CZ3-SG 3.57Å; C1273-C1288 HydrophobicContact CB-CB 3.63Å; L1284-C1288 PolarHBondContact O-N 2.8Å; L1284-C1288 PolarHBondContact O-SG 2.93Å; A1285-C1288 PolarHBondContact O-N 3.29Å; Q1286-C1288 VanDerWaalsContact C-N 3.33Å; Q1286-C1288 PolarHBondContact O-N 2.9Å; C1288-L1290 VanDerWaalsContact C-N 3.28Å; C1288-L1290 PolarHBondContact O-N 2.71Å; C1288-H1291 PolarHBondContact O-N 2.8Å; C1288-I1292 WeakPolarHBondContact O-CG1 3.3Å; C1288-I1292 PolarHBondContact O-N 3.18Å |
| 1289 | G | 87.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.5 | -41.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1285 Q1286 H1291 I1292 V1293 | A1285-G1289 WeakPolarHBondContact O-CA 3.17Å; A1285-G1289 PolarHBondContact O-N 3.01Å; Q1286-G1289 PolarHBondContact O-N 2.83Å; G1289-H1291 PolarHBondContact O-N 3.45Å; G1289-I1292 PolarHBondContact O-N 3.45Å; G1289-V1293 WeakPolarHBondContact O-CG1 3.16Å; G1289-V1293 WeakPolarHBondContact O-CG2 3.13Å; G1289-V1293 PolarHBondContact O-N 3.31Å |
| 1290 | L | 88.1 | Confident | 85.6 | Confident | 42 Ų | 42 | 59.6 Ų | 59.6 | 22% | 0.22 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.4 | -28.6 | 178.4 | -73 | 173.3 | 0 | 0 | 0 | 113.1 | Q1286 C1288 V1293 V1294 L1318 A1321 A1322 L1325 | Q1286-L1290 WeakPolarHBondContact O-CG 3.34Å; Q1286-L1290 PolarHBondContact O-N 2.84Å; C1288-L1290 VanDerWaalsContact C-N 3.28Å; C1288-L1290 PolarHBondContact O-N 2.71Å; L1290-V1293 WeakPolarHBondContact O-CG2 3.45Å; L1290-V1294 WeakPolarHBondContact O-CG2 3.37Å; L1290-L1318 HydrophobicContact CD2-CD1 4.02Å; L1290-L1318 HydrophobicContact CG-CD1 3.94Å; L1290-A1321 HydrophobicContact CD1-CB 4.43Å; L1290-A1321 HydrophobicContact CD2-CB 3.83Å; L1290-A1322 HydrophobicContact CD2-CB 3.98Å; L1290-L1325 HydrophobicContact CB-CD1 4.36Å; L1290-L1325 HydrophobicContact CD2-CD1 4.06Å; L1290-L1325 WeakPolarHBondContact O-CD1 3.1Å |
| 1291 | H | 85.4 | Confident | 85.8 | Confident | 80 Ų | 80 | 57.7 Ų | 57.7 | 37% | 0.37 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -81.3 | -21 | 173.9 | -71.3 | -71.8 | 0 | 0 | 0 | 113.1 | W1269 M1287 C1288 G1289 H1295 | W1269-H1291 HydrophobicContact CB-CB 4.5Å; W1269-H1291 HydrophobicContact CD2-CB 3.89Å; W1269-H1291 AromaticContact CE2-CD2 3.63Å; W1269-H1291 AromaticContact CE2-CG 3.66Å; W1269-H1291 HydrophobicContact CG-CB 3.83Å; W1269-H1291 AromaticContact CH2-CD2 3.57Å; W1269-H1291 AromaticContact CH2-NE2 3.96Å; W1269-H1291 HydrophobicContact CZ2-CB 4.33Å; W1269-H1291 AromaticContact CZ2-CD2 3.27Å; W1269-H1291 WeakPolarHBondContact CZ2-CD2 3.46Å; W1269-H1291 AromaticContact CZ2-CG 3.74Å; W1269-H1291 AromaticContact CZ2-NE2 3.63Å; W1269-H1291 AromaticContact NE1-CG 3.82Å; M1287-H1291 PolarHBondContact O-CD2 3.34Å; M1287-H1291 VanDerWaalsContact O-CD2 3.32Å; C1288-H1291 PolarHBondContact O-N 2.8Å; G1289-H1291 PolarHBondContact O-N 3.45Å; H1291-H1295 PolarHBondContact O-CD2 3.46Å |
| 1292 | I | 87.4 | Confident | 86 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -86.6 | -48.9 | 179.7 | -58.4 | 162.7 | 0 | 0 | 0 | 111 | W1269 K1270 C1273 C1288 G1289 V1294 H1295 E1298 L1302 | W1269-I1292 HydrophobicContact CB-CD1 4.34Å; W1269-I1292 HydrophobicContact CB-CG1 3.82Å; K1270-I1292 HydrophobicContact CB-CD1 4.22Å; C1273-I1292 HydrophobicContact CB-CD1 3.5Å; C1288-I1292 WeakPolarHBondContact O-CG1 3.3Å; C1288-I1292 PolarHBondContact O-N 3.18Å; G1289-I1292 PolarHBondContact O-N 3.45Å; I1292-V1294 PolarHBondContact O-N 2.94Å; I1292-H1295 WeakPolarHBondContact O-CB 3.15Å; I1292-H1295 PolarHBondContact O-N 3.1Å; I1292-E1298 HydrophobicContact CG2-CB 3.8Å; I1292-L1302 HydrophobicContact CB-CD2 4.24Å; I1292-L1302 HydrophobicContact CD1-CD1 4.4Å; I1292-L1302 HydrophobicContact CG2-CD2 4.07Å |
| 1293 | V | 88.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -17.9 | -175.8 | -66.1 | 0 | 0 | 0 | 0 | 113.9 | G1289 L1290 H1295 L1299 L1302 L1318 L1319 A1322 L1325 H1329 I1332 | G1289-V1293 WeakPolarHBondContact O-CG1 3.16Å; G1289-V1293 WeakPolarHBondContact O-CG2 3.13Å; G1289-V1293 PolarHBondContact O-N 3.31Å; L1290-V1293 WeakPolarHBondContact O-CG2 3.45Å; V1293-H1295 PolarHBondContact O-N 3.35Å; V1293-L1299 HydrophobicContact CB-CD1 4.38Å; V1293-L1299 HydrophobicContact CG1-CD1 4.11Å; V1293-L1302 HydrophobicContact CG1-CD2 3.46Å; V1293-L1302 VanDerWaalsContact CG1-CD2 3.46Å; V1293-L1318 HydrophobicContact CG1-CD2 4.23Å; V1293-L1318 HydrophobicContact CG1-CG 4.27Å; V1293-L1319 HydrophobicContact CG1-CD2 3.89Å; V1293-A1322 HydrophobicContact CB-CB 4.34Å; V1293-A1322 HydrophobicContact CG2-CB 3.54Å; V1293-L1325 HydrophobicContact CG2-CD1 4.28Å; V1293-H1329 PolarHBondContact O-CE1 3.37Å; V1293-I1332 HydrophobicContact CB-CD1 4.33Å; V1293-I1332 HydrophobicContact CG2-CD1 4.46Å; V1293-I1332 VanDerWaalsContact O-CD1 3.27Å; V1293-I1332 WeakPolarHBondContact O-CD1 3.42Å |
| 1294 | V | 85.5 | Confident | 86.3 | Confident | 22 Ų | 22 | 44.6 Ų | 44.6 | 13% | 0.133 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -25.6 | 173.8 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | L1290 I1292 L1325 R1327 H1329 | L1290-V1294 WeakPolarHBondContact O-CG2 3.37Å; I1292-V1294 PolarHBondContact O-N 2.94Å; V1294-L1325 HydrophobicContact CG2-CD1 3.7Å; V1294-R1327 HydrophobicContact CG1-CB 3.38Å; V1294-R1327 HydrophobicContact CG1-CG 4.25Å; V1294-R1327 HydrophobicContact CG2-CB 4.45Å; V1294-H1329 PolarHBondContact O-ND1 3.28Å |
| 1295 | H | 85.7 | Confident | 86.4 | Confident | 65 Ų | 65 | 44.6 Ų | 44.6 | 30% | 0.301 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -93.5 | 112 | 177.5 | -62 | -87.2 | 0 | 0 | 0 | 110.3 | T1266 H1291 I1292 V1293 D1297 E1298 | T1266-H1295 HydrophobicContact CG2-CB 4.44Å; T1266-H1295 PolarHBondContact OG1-CE1 3.47Å; T1266-H1295 PolarHBondContact OG1-NE2 3.26Å; T1266-H1295 VanDerWaalsContact OG1-NE2 3.1Å; H1291-H1295 PolarHBondContact O-CD2 3.46Å; I1292-H1295 WeakPolarHBondContact O-CB 3.15Å; I1292-H1295 PolarHBondContact O-N 3.1Å; V1293-H1295 PolarHBondContact O-N 3.35Å; H1295-D1297 VanDerWaalsContact C-N 3.32Å; H1295-D1297 PolarHBondContact O-N 3.45Å; H1295-E1298 HydrophobicContact CB-CB 4.37Å; H1295-E1298 HydrophobicContact CB-CG 4.19Å; H1295-E1298 PolarHBondContact O-N 3.2Å |
| 1296 | A | 81.9 | Confident | 86.6 | Confident | 53 Ų | 53 | 44.8 Ų | 44.8 | 44% | 0.438 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.6 | -38.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1298 L1299 H1329 | A1296-E1298 PolarHBondContact O-N 3.33Å; A1296-L1299 WeakPolarHBondContact O-CB 3.1Å; A1296-L1299 PolarHBondContact O-N 3.27Å; A1296-H1329 WeakPolarHBondContact CA-CE1 3.46Å; A1296-H1329 VanDerWaalsContact CA-NE2 3.32Å; A1296-H1329 WeakPolarHBondContact CA-NE2 3.25Å; A1296-H1329 WeakPolarHBondContact CB-NE2 3.3Å |
| 1297 | D | 84.7 | Confident | 86.5 | Confident | 154 Ų | 154 | 44.9 Ų | 44.9 | 82% | 0.824 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -67.3 | -21.8 | -176.8 | -51.1 | -33.9 | 0 | 0 | 0 | 112.9 | H1295 | H1295-D1297 VanDerWaalsContact C-N 3.32Å; H1295-D1297 PolarHBondContact O-N 3.45Å |
| 1298 | E | 86.6 | Confident | 86.5 | Confident | 54 Ų | 54 | 48 Ų | 48 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -96.2 | -11.6 | -178 | -61.8 | -68.9 | 170.8 | 0 | 0 | 112.7 | T1266 K1270 I1292 H1295 A1296 E1300 L1302 | T1266-E1298 HydrophobicContact CG2-CG 4.07Å; K1270-E1298 WeakPolarHBondContact CD-OE2 3.49Å; K1270-E1298 WeakPolarHBondContact CE-OE2 3.49Å; K1270-E1298 IonicContact NZ-OE2 3.61Å; K1270-E1298 PolarHBondContact NZ-OE2 2.98Å; I1292-E1298 HydrophobicContact CG2-CB 3.8Å; H1295-E1298 HydrophobicContact CB-CB 4.37Å; H1295-E1298 HydrophobicContact CB-CG 4.19Å; H1295-E1298 PolarHBondContact O-N 3.2Å; A1296-E1298 PolarHBondContact O-N 3.33Å; E1298-E1300 PolarHBondContact O-N 2.99Å; E1298-L1302 WeakPolarHBondContact O-CB 3.4Å; E1298-L1302 PolarHBondContact O-N 2.78Å; E1298-L1302 VanDerWaalsContact O-N 3.12Å |
| 1299 | L | 88.3 | Confident | 86.4 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.7 | -42.7 | -173.1 | -179.5 | 62.7 | 0 | 0 | 0 | 112 | V1293 A1296 L1302 I1303 L1319 I1332 E1335 | V1293-L1299 HydrophobicContact CB-CD1 4.38Å; V1293-L1299 HydrophobicContact CG1-CD1 4.11Å; A1296-L1299 WeakPolarHBondContact O-CB 3.1Å; A1296-L1299 PolarHBondContact O-N 3.27Å; L1299-L1302 PolarHBondContact O-N 3.03Å; L1299-I1303 HydrophobicContact CD1-CD1 3.96Å; L1299-I1303 HydrophobicContact CD1-CG1 4.32Å; L1299-I1303 HydrophobicContact CD2-CD1 4.48Å; L1299-I1303 HydrophobicContact CG-CD1 3.77Å; L1299-I1303 WeakPolarHBondContact O-CB 3.37Å; L1299-I1303 WeakPolarHBondContact O-CD1 3.27Å; L1299-I1303 VanDerWaalsContact O-CG1 3.24Å; L1299-I1303 WeakPolarHBondContact O-CG1 3.27Å; L1299-I1303 PolarHBondContact O-N 2.94Å; L1299-L1319 HydrophobicContact CD1-CD2 3.8Å; L1299-I1332 HydrophobicContact CD2-CG1 4.32Å; L1299-E1335 HydrophobicContact CD2-CB 4.5Å; L1299-E1335 HydrophobicContact CD2-CG 4.05Å |
| 1300 | E | 86.6 | Confident | 86.3 | Confident | 162 Ų | 162 | 54.7 Ų | 54.7 | 76% | 0.757 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.6 | -43.4 | -178.5 | -174.8 | 171.9 | -172.8 | 0 | 0 | 112 | E1298 I1303 S1304 | E1298-E1300 PolarHBondContact O-N 2.99Å; E1300-I1303 PolarHBondContact O-N 3.35Å; E1300-S1304 WeakPolarHBondContact O-CB 3.25Å; E1300-S1304 PolarHBondContact O-N 2.69Å |
| 1301 | E | 87.4 | Confident | 86.3 | Confident | 97 Ų | 97 | 55.8 Ų | 55.8 | 45% | 0.453 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 178.2 | -166.6 | -179 | 146 | 0 | 0 | 111.7 | K1270 F1274 S1304 N1305 | K1270-E1301 WeakPolarHBondContact CE-OE1 3.46Å; K1270-E1301 IonicContact NZ-OE1 3.71Å; K1270-E1301 PolarHBondContact NZ-OE1 2.81Å; K1270-E1301 IonicContact NZ-OE2 2.71Å; K1270-E1301 PolarHBondContact NZ-OE2 3.03Å; F1274-E1301 HydrophobicContact CZ-CG 4.46Å; E1301-S1304 PolarHBondContact O-N 3.44Å; E1301-N1305 WeakPolarHBondContact O-CB 3.1Å; E1301-N1305 PolarHBondContact O-N 3.26Å |
| 1302 | L | 88.3 | Confident | 86.4 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 174.5 | -178.4 | 66.2 | 0 | 0 | 0 | 111.5 | F1274 I1292 V1293 E1298 L1299 N1305 Y1306 L1318 | F1274-L1302 HydrophobicContact CD1-CD1 4.49Å; F1274-L1302 HydrophobicContact CE1-CD1 3.79Å; I1292-L1302 HydrophobicContact CB-CD2 4.24Å; I1292-L1302 HydrophobicContact CD1-CD1 4.4Å; I1292-L1302 HydrophobicContact CG2-CD2 4.07Å; V1293-L1302 HydrophobicContact CG1-CD2 3.46Å; V1293-L1302 VanDerWaalsContact CG1-CD2 3.46Å; E1298-L1302 WeakPolarHBondContact O-CB 3.4Å; E1298-L1302 PolarHBondContact O-N 2.78Å; E1298-L1302 VanDerWaalsContact O-N 3.12Å; L1299-L1302 PolarHBondContact O-N 3.03Å; L1302-N1305 WeakPolarHBondContact O-CB 3.33Å; L1302-N1305 PolarHBondContact O-N 3.48Å; L1302-Y1306 HydrophobicContact CD1-CD2 4.1Å; L1302-Y1306 HydrophobicContact CD1-CE2 3.77Å; L1302-Y1306 HydrophobicContact CG-CD2 4.48Å; L1302-Y1306 HydrophobicContact CG-CE2 4.46Å; L1302-Y1306 WeakPolarHBondContact O-CD2 3.34Å; L1302-Y1306 PolarHBondContact O-N 3.41Å; L1302-L1318 HydrophobicContact CD2-CD2 4Å |
| 1303 | I | 88 | Confident | 86.4 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 5% | 0.046 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.5 | -48 | 176.2 | -72.1 | 164.6 | 0 | 0 | 0 | 110.4 | L1299 E1300 N1305 Y1306 Q1307 L1315 E1335 | L1299-I1303 HydrophobicContact CD1-CD1 3.96Å; L1299-I1303 HydrophobicContact CD1-CG1 4.32Å; L1299-I1303 HydrophobicContact CD2-CD1 4.48Å; L1299-I1303 HydrophobicContact CG-CD1 3.77Å; L1299-I1303 WeakPolarHBondContact O-CB 3.37Å; L1299-I1303 WeakPolarHBondContact O-CD1 3.27Å; L1299-I1303 VanDerWaalsContact O-CG1 3.24Å; L1299-I1303 WeakPolarHBondContact O-CG1 3.27Å; L1299-I1303 PolarHBondContact O-N 2.94Å; E1300-I1303 PolarHBondContact O-N 3.35Å; I1303-N1305 VanDerWaalsContact C-N 3.29Å; I1303-N1305 PolarHBondContact O-N 3.33Å; I1303-Y1306 PolarHBondContact O-N 3.04Å; I1303-Q1307 HydrophobicContact CG2-CG 4.16Å; I1303-Q1307 WeakPolarHBondContact O-CB 3.48Å; I1303-Q1307 WeakPolarHBondContact O-CG 3.21Å; I1303-Q1307 PolarHBondContact O-N 3.27Å; I1303-L1315 HydrophobicContact CB-CD2 4.25Å; I1303-L1315 HydrophobicContact CG1-CD1 4.1Å; I1303-L1315 HydrophobicContact CG1-CD2 4.17Å; I1303-L1315 HydrophobicContact CG2-CD2 3.97Å; I1303-E1335 HydrophobicContact CD1-CB 3.5Å; I1303-E1335 VanDerWaalsContact CD1-CB 3.5Å; I1303-E1335 HydrophobicContact CD1-CG 3.49Å; I1303-E1335 VanDerWaalsContact CD1-CG 3.49Å |
| 1304 | S | 86.5 | Confident | 86.3 | Confident | 51 Ų | 51 | 63.3 Ų | 63.3 | 36% | 0.357 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.8 | -41.2 | 178.2 | -174.7 | 0 | 0 | 0 | 0 | 111.6 | E1300 E1301 Y1306 Q1307 N1308 | E1300-S1304 WeakPolarHBondContact O-CB 3.25Å; E1300-S1304 PolarHBondContact O-N 2.69Å; E1301-S1304 PolarHBondContact O-N 3.44Å; S1304-Y1306 PolarHBondContact O-N 2.65Å; S1304-Q1307 PolarHBondContact O-N 2.97Å; S1304-N1308 VanDerWaalsContact O-CB 3.26Å; S1304-N1308 WeakPolarHBondContact O-CB 3.31Å; S1304-N1308 PolarHBondContact O-N 3.33Å; S1304-N1308 PolarHBondContact O-ND2 3.07Å; S1304-N1308 PolarHBondContact OG-ND2 2.85Å; S1304-N1308 VanDerWaalsContact OG-ND2 3.09Å |
| 1305 | N | 86.9 | Confident | 86.5 | Confident | 14 Ų | 14 | 62.3 Ų | 62.3 | 8% | 0.075 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.5 | -48.4 | 178 | -173 | -52.4 | 0 | 0 | 0 | 112.4 | F1274 E1301 L1302 I1303 R1309 | F1274-N1305 HydrophobicContact CD1-CB 4.23Å; F1274-N1305 WeakPolarHBondContact CD1-ND2 3.37Å; F1274-N1305 VanDerWaalsContact CD2-ND2 3.33Å; F1274-N1305 WeakPolarHBondContact CD2-ND2 3.44Å; F1274-N1305 HydrophobicContact CE1-CB 3.71Å; F1274-N1305 VanDerWaalsContact CE1-ND2 3.31Å; F1274-N1305 WeakPolarHBondContact CE1-ND2 3.24Å; F1274-N1305 WeakPolarHBondContact CE2-ND2 3.43Å; F1274-N1305 WeakPolarHBondContact CG-ND2 3.26Å; F1274-N1305 HydrophobicContact CZ-CB 3.97Å; F1274-N1305 WeakPolarHBondContact CZ-ND2 3.22Å; E1301-N1305 WeakPolarHBondContact O-CB 3.1Å; E1301-N1305 PolarHBondContact O-N 3.26Å; L1302-N1305 WeakPolarHBondContact O-CB 3.33Å; L1302-N1305 PolarHBondContact O-N 3.48Å; I1303-N1305 VanDerWaalsContact C-N 3.29Å; I1303-N1305 PolarHBondContact O-N 3.33Å; N1305-R1309 PolarHBondContact ND2-NH1 3.47Å; N1305-R1309 WeakPolarHBondContact O-CD 3.47Å; N1305-R1309 WeakPolarHBondContact O-CG 3.17Å; N1305-R1309 PolarHBondContact O-NH1 2.86Å; N1305-R1309 VanDerWaalsContact OD1-CZ 3.32Å; N1305-R1309 PolarHBondContact OD1-NH1 3.14Å |
| 1306 | Y | 88.5 | Confident | 86.7 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.8 | -42.6 | 177.8 | -85.4 | -101.8 | 0 | 0 | 0 | 112 | V1277 A1285 L1302 I1303 S1304 R1309 G1310 Y1311 E1314 L1315 L1318 | V1277-Y1306 HydrophobicContact CG2-CD2 4.43Å; V1277-Y1306 HydrophobicContact CG2-CE1 3.94Å; V1277-Y1306 HydrophobicContact CG2-CE2 3.64Å; V1277-Y1306 VanDerWaalsContact CG2-OH 3.29Å; V1277-Y1306 WeakPolarHBondContact CG2-OH 3.46Å; A1285-Y1306 WeakPolarHBondContact CB-OH 3.42Å; L1302-Y1306 HydrophobicContact CD1-CD2 4.1Å; L1302-Y1306 HydrophobicContact CD1-CE2 3.77Å; L1302-Y1306 HydrophobicContact CG-CD2 4.48Å; L1302-Y1306 HydrophobicContact CG-CE2 4.46Å; L1302-Y1306 WeakPolarHBondContact O-CD2 3.34Å; L1302-Y1306 PolarHBondContact O-N 3.41Å; I1303-Y1306 PolarHBondContact O-N 3.04Å; S1304-Y1306 PolarHBondContact O-N 2.65Å; Y1306-R1309 PolarHBondContact O-N 3.06Å; Y1306-G1310 PolarHBondContact O-N 3.28Å; Y1306-G1310 VanDerWaalsContact O-N 3.17Å; Y1306-Y1311 PolarHBondContact O-N 3.45Å; Y1306-E1314 HydrophobicContact CD1-CB 4.32Å; Y1306-E1314 HydrophobicContact CE1-CB 3.97Å; Y1306-L1315 HydrophobicContact CD1-CB 4.01Å; Y1306-L1315 HydrophobicContact CD2-CD1 4.31Å; Y1306-L1315 HydrophobicContact CG-CB 4.06Å; Y1306-L1315 HydrophobicContact CG-CD1 4.2Å; Y1306-L1318 HydrophobicContact CE2-CD2 4.41Å |
| 1307 | Q | 84.5 | Confident | 87.1 | Confident | 63 Ų | 63 | 59.2 Ų | 59.2 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.3 | -45.2 | -178.7 | -78 | -174.5 | -14.2 | 0 | 0 | 112.7 | I1303 S1304 R1309 G1310 L1315 | I1303-Q1307 HydrophobicContact CG2-CG 4.16Å; I1303-Q1307 WeakPolarHBondContact O-CB 3.48Å; I1303-Q1307 WeakPolarHBondContact O-CG 3.21Å; I1303-Q1307 PolarHBondContact O-N 3.27Å; S1304-Q1307 PolarHBondContact O-N 2.97Å; Q1307-R1309 PolarHBondContact O-N 2.96Å; Q1307-R1309 VanDerWaalsContact O-N 3.17Å; Q1307-G1310 PolarHBondContact O-N 2.94Å; Q1307-L1315 HydrophobicContact CG-CD2 4.16Å |
| 1308 | N | 85.6 | Confident | 87.4 | Confident | 130 Ų | 130 | 51.9 Ų | 51.9 | 70% | 0.695 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -61.6 | -26.1 | 179.5 | -69.6 | -25.6 | 0 | 0 | 0 | 112.5 | S1304 | S1304-N1308 VanDerWaalsContact O-CB 3.26Å; S1304-N1308 WeakPolarHBondContact O-CB 3.31Å; S1304-N1308 PolarHBondContact O-N 3.33Å; S1304-N1308 PolarHBondContact O-ND2 3.07Å; S1304-N1308 PolarHBondContact OG-ND2 2.85Å; S1304-N1308 VanDerWaalsContact OG-ND2 3.09Å |
| 1309 | R | 83.1 | Confident | 87.6 | Confident | 100 Ų | 100 | 49.3 Ų | 49.3 | 38% | 0.377 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -4 | 176.5 | -66.7 | 171.6 | 171 | 79.7 | -7.9 | 113.5 | D1278 N1305 Y1306 Q1307 Y1311 | D1278-R1309 IonicContact OD1-CZ 3.92Å; D1278-R1309 IonicContact OD1-NE 3.69Å; D1278-R1309 PolarHBondContact OD1-NE 2.79Å; D1278-R1309 IonicContact OD1-NH2 2.79Å; D1278-R1309 PolarHBondContact OD1-NH2 2.89Å; D1278-R1309 IonicContact OD2-NH2 3.98Å; D1278-R1309 PolarHBondContact OD2-NH2 3.15Å; N1305-R1309 PolarHBondContact ND2-NH1 3.47Å; N1305-R1309 WeakPolarHBondContact O-CD 3.47Å; N1305-R1309 WeakPolarHBondContact O-CG 3.17Å; N1305-R1309 PolarHBondContact O-NH1 2.86Å; N1305-R1309 VanDerWaalsContact OD1-CZ 3.32Å; N1305-R1309 PolarHBondContact OD1-NH1 3.14Å; Y1306-R1309 PolarHBondContact O-N 3.06Å; Q1307-R1309 PolarHBondContact O-N 2.96Å; Q1307-R1309 VanDerWaalsContact O-N 3.17Å; R1309-Y1311 HydrophobicContact CB-CD2 3.62Å; R1309-Y1311 HydrophobicContact CB-CE2 3.71Å |
| 1310 | G | 84 | Confident | 87.7 | Confident | 41 Ų | 41 | 51.7 Ų | 51.7 | 42% | 0.423 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 12.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y1306 Q1307 Y1312 | Y1306-G1310 PolarHBondContact O-N 3.28Å; Y1306-G1310 VanDerWaalsContact O-N 3.17Å; Q1307-G1310 PolarHBondContact O-N 2.94Å; G1310-Y1312 VanDerWaalsContact C-N 3.34Å; G1310-Y1312 VanDerWaalsContact O-CD1 3.24Å; G1310-Y1312 WeakPolarHBondContact O-CD1 3.35Å; G1310-Y1312 WeakPolarHBondContact O-CE1 3.44Å; G1310-Y1312 PolarHBondContact O-N 3.08Å |
| 1311 | Y | 88.3 | Confident | 87.7 | Confident | 64 Ų | 64 | 46 Ų | 46 | 25% | 0.251 | 24% | 0.235 | S | C | . | . | trans | -91.8 | 53.4 | -177.2 | -57.5 | -51 | 0 | 0 | 0 | 112.7 | V1277 F1282 Y1306 R1309 L1315 | V1277-Y1311 HydrophobicContact CG1-CD2 3.84Å; V1277-Y1311 HydrophobicContact CG1-CE2 4.07Å; F1282-Y1311 HydrophobicContact CE1-CD1 4.14Å; F1282-Y1311 HydrophobicContact CE1-CD2 4.01Å; F1282-Y1311 HydrophobicContact CE1-CE1 4.37Å; F1282-Y1311 HydrophobicContact CE1-CE2 4.23Å; F1282-Y1311 AromaticContact CE1-CG 3.96Å; F1282-Y1311 HydrophobicContact CE1-CG 3.96Å; F1282-Y1311 AromaticContact CZ-CD1 3.88Å; F1282-Y1311 HydrophobicContact CZ-CD1 3.88Å; F1282-Y1311 HydrophobicContact CZ-CD2 4.38Å; F1282-Y1311 AromaticContact CZ-CE1 3.8Å; F1282-Y1311 HydrophobicContact CZ-CE1 3.8Å; F1282-Y1311 HydrophobicContact CZ-CE2 4.28Å; F1282-Y1311 HydrophobicContact CZ-CG 4.19Å; Y1306-Y1311 PolarHBondContact O-N 3.45Å; R1309-Y1311 HydrophobicContact CB-CD2 3.62Å; R1309-Y1311 HydrophobicContact CB-CE2 3.71Å; Y1311-L1315 PolarHBondContact O-N 3.16Å | ||
| 1312 | Y | 87.1 | Confident | 87.8 | Confident | 98 Ų | 98 | 41.3 Ų | 41.3 | 38% | 0.384 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.7 | -33.5 | -176.6 | 49.2 | -93.2 | 0 | 0 | 0 | 113.7 | G1310 L1315 I1316 Y1343 | G1310-Y1312 VanDerWaalsContact C-N 3.34Å; G1310-Y1312 VanDerWaalsContact O-CD1 3.24Å; G1310-Y1312 WeakPolarHBondContact O-CD1 3.35Å; G1310-Y1312 WeakPolarHBondContact O-CE1 3.44Å; G1310-Y1312 PolarHBondContact O-N 3.08Å; Y1312-L1315 PolarHBondContact O-N 3.33Å; Y1312-I1316 VanDerWaalsContact O-CG1 3.31Å; Y1312-I1316 WeakPolarHBondContact O-CG1 3.41Å; Y1312-I1316 PolarHBondContact O-N 3.04Å; Y1312-Y1343 HydrophobicContact CD1-CD1 4.39Å; Y1312-Y1343 HydrophobicContact CD1-CE1 4.15Å; Y1312-Y1343 HydrophobicContact CD2-CD1 4Å; Y1312-Y1343 HydrophobicContact CD2-CG 4.09Å; Y1312-Y1343 HydrophobicContact CE2-CD1 4.39Å; Y1312-Y1343 HydrophobicContact CG-CD1 4.01Å; Y1312-Y1343 HydrophobicContact CG-CD2 4.48Å; Y1312-Y1343 HydrophobicContact CG-CE1 4.11Å; Y1312-Y1343 HydrophobicContact CG-CG 4.21Å |
| 1313 | E | 87.4 | Confident | 87.7 | Confident | 79 Ų | 79 | 42.7 Ų | 42.7 | 37% | 0.369 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.1 | -46 | 175.8 | -76.5 | -67.6 | 149 | 0 | 0 | 112.2 | I1316 N1317 K1344 | E1313-I1316 PolarHBondContact O-N 3.33Å; E1313-N1317 VanDerWaalsContact O-CG 3.28Å; E1313-N1317 PolarHBondContact O-N 3.39Å; E1313-N1317 PolarHBondContact O-ND2 3.19Å; E1313-K1344 VanDerWaalsContact CD-CE 3.46Å; E1313-K1344 VanDerWaalsContact CD-NZ 3.35Å; E1313-K1344 WeakPolarHBondContact OE1-CE 3.22Å; E1313-K1344 IonicContact OE1-NZ 2.8Å; E1313-K1344 PolarHBondContact OE1-NZ 3.37Å; E1313-K1344 VanDerWaalsContact OE2-CE 3.27Å; E1313-K1344 WeakPolarHBondContact OE2-CE 3.21Å; E1313-K1344 IonicContact OE2-NZ 3.55Å; E1313-K1344 PolarHBondContact OE2-NZ 3.48Å |
| 1314 | E | 87.5 | Confident | 87.5 | Confident | 63 Ų | 63 | 45.8 Ų | 45.8 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.7 | -34.2 | 179.8 | -60.4 | -57.8 | 156.6 | 0 | 0 | 111.8 | F1282 Y1306 N1317 L1318 | F1282-E1314 HydrophobicContact CB-CG 4.27Å; F1282-E1314 HydrophobicContact CD1-CB 4.18Å; F1282-E1314 HydrophobicContact CD1-CG 3.76Å; F1282-E1314 HydrophobicContact CD2-CG 4.36Å; F1282-E1314 HydrophobicContact CE1-CG 4.16Å; F1282-E1314 HydrophobicContact CG-CG 3.87Å; Y1306-E1314 HydrophobicContact CD1-CB 4.32Å; Y1306-E1314 HydrophobicContact CE1-CB 3.97Å; E1314-N1317 PolarHBondContact O-N 3.14Å; E1314-L1318 WeakPolarHBondContact O-CB 3.46Å; E1314-L1318 PolarHBondContact O-N 2.98Å |
| 1315 | L | 89.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 171.8 | 180 | 63.3 | 0 | 0 | 0 | 111.7 | I1303 Y1306 Q1307 Y1311 Y1312 L1318 L1319 L1339 | I1303-L1315 HydrophobicContact CB-CD2 4.25Å; I1303-L1315 HydrophobicContact CG1-CD1 4.1Å; I1303-L1315 HydrophobicContact CG1-CD2 4.17Å; I1303-L1315 HydrophobicContact CG2-CD2 3.97Å; Y1306-L1315 HydrophobicContact CD1-CB 4.01Å; Y1306-L1315 HydrophobicContact CD2-CD1 4.31Å; Y1306-L1315 HydrophobicContact CG-CB 4.06Å; Y1306-L1315 HydrophobicContact CG-CD1 4.2Å; Q1307-L1315 HydrophobicContact CG-CD2 4.16Å; Y1311-L1315 PolarHBondContact O-N 3.16Å; Y1312-L1315 PolarHBondContact O-N 3.33Å; L1315-L1318 WeakPolarHBondContact O-CB 3.28Å; L1315-L1318 PolarHBondContact O-N 3.28Å; L1315-L1319 HydrophobicContact CD1-CD1 4.47Å; L1315-L1319 HydrophobicContact CD1-CG 4.39Å; L1315-L1319 HydrophobicContact CG-CD1 4.48Å; L1315-L1319 WeakPolarHBondContact O-CG 3.34Å; L1315-L1319 PolarHBondContact O-N 3.07Å; L1315-L1339 HydrophobicContact CD2-CD1 3.63Å; L1315-L1339 HydrophobicContact CD2-CD2 4.04Å; L1315-L1339 HydrophobicContact CD2-CG 4.49Å; L1315-L1339 HydrophobicContact CG-CD1 3.77Å |
| 1316 | I | 90.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 175.2 | -72.4 | 168.1 | 0 | 0 | 0 | 110 | Y1312 E1313 L1318 L1319 E1320 L1336 L1339 F1340 K1344 | Y1312-I1316 VanDerWaalsContact O-CG1 3.31Å; Y1312-I1316 WeakPolarHBondContact O-CG1 3.41Å; Y1312-I1316 PolarHBondContact O-N 3.04Å; E1313-I1316 PolarHBondContact O-N 3.33Å; I1316-L1318 PolarHBondContact O-N 3.4Å; I1316-L1319 PolarHBondContact O-N 2.85Å; I1316-E1320 HydrophobicContact CG2-CG 4.19Å; I1316-E1320 WeakPolarHBondContact O-CB 3.43Å; I1316-E1320 WeakPolarHBondContact O-CG 3.27Å; I1316-E1320 PolarHBondContact O-N 3.38Å; I1316-L1336 HydrophobicContact CG2-CD1 4.28Å; I1316-L1339 HydrophobicContact CD1-CB 4.49Å; I1316-L1339 HydrophobicContact CG1-CB 4.08Å; I1316-L1339 HydrophobicContact CG1-CD1 4.21Å; I1316-F1340 HydrophobicContact CG2-CD1 4.42Å; I1316-F1340 HydrophobicContact CG2-CE1 3.64Å; I1316-F1340 HydrophobicContact CG2-CZ 4.46Å; I1316-K1344 HydrophobicContact CD1-CD 4.14Å; I1316-K1344 HydrophobicContact CD1-CG 4.19Å |
| 1317 | N | 90.1 | Very high | 86.6 | Confident | 53 Ų | 53 | 62.8 Ų | 62.8 | 28% | 0.283 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.5 | -36.6 | 177.9 | -67.8 | -23.7 | 0 | 0 | 0 | 112.3 | Q1286 E1313 E1314 A1321 | Q1286-N1317 PolarHBondContact NE2-O 3.35Å; E1313-N1317 VanDerWaalsContact O-CG 3.28Å; E1313-N1317 PolarHBondContact O-N 3.39Å; E1313-N1317 PolarHBondContact O-ND2 3.19Å; E1314-N1317 PolarHBondContact O-N 3.14Å; N1317-A1321 WeakPolarHBondContact O-CB 3.48Å; N1317-A1321 PolarHBondContact O-N 3Å; N1317-A1321 VanDerWaalsContact O-N 3.13Å |
| 1318 | L | 89.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.5 | -49.2 | 175.5 | 171 | 60.7 | 0 | 0 | 0 | 111.7 | Q1286 L1290 V1293 L1302 Y1306 E1314 L1315 I1316 A1321 A1322 | Q1286-L1318 HydrophobicContact CG-CB 4.48Å; Q1286-L1318 HydrophobicContact CG-CD1 4.07Å; Q1286-L1318 WeakPolarHBondContact O-CD1 3.34Å; L1290-L1318 HydrophobicContact CD2-CD1 4.02Å; L1290-L1318 HydrophobicContact CG-CD1 3.94Å; V1293-L1318 HydrophobicContact CG1-CD2 4.23Å; V1293-L1318 HydrophobicContact CG1-CG 4.27Å; L1302-L1318 HydrophobicContact CD2-CD2 4Å; Y1306-L1318 HydrophobicContact CE2-CD2 4.41Å; E1314-L1318 WeakPolarHBondContact O-CB 3.46Å; E1314-L1318 PolarHBondContact O-N 2.98Å; L1315-L1318 WeakPolarHBondContact O-CB 3.28Å; L1315-L1318 PolarHBondContact O-N 3.28Å; I1316-L1318 PolarHBondContact O-N 3.4Å; L1318-A1321 PolarHBondContact O-N 2.8Å; L1318-A1322 WeakPolarHBondContact O-CB 3.41Å; L1318-A1322 PolarHBondContact O-N 3.44Å |
| 1319 | L | 91.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.1 | -35.5 | -179.3 | -66.9 | -178.2 | 0 | 0 | 0 | 112.3 | V1293 L1299 L1315 I1316 A1322 L1323 I1332 L1336 L1339 | V1293-L1319 HydrophobicContact CG1-CD2 3.89Å; L1299-L1319 HydrophobicContact CD1-CD2 3.8Å; L1315-L1319 HydrophobicContact CD1-CD1 4.47Å; L1315-L1319 HydrophobicContact CD1-CG 4.39Å; L1315-L1319 HydrophobicContact CG-CD1 4.48Å; L1315-L1319 WeakPolarHBondContact O-CG 3.34Å; L1315-L1319 PolarHBondContact O-N 3.07Å; I1316-L1319 PolarHBondContact O-N 2.85Å; L1319-A1322 WeakPolarHBondContact O-CB 3.17Å; L1319-A1322 PolarHBondContact O-N 2.84Å; L1319-A1322 VanDerWaalsContact O-N 3.11Å; L1319-L1323 WeakPolarHBondContact O-CG 3.27Å; L1319-L1323 PolarHBondContact O-N 3.28Å; L1319-I1332 HydrophobicContact CD2-CG2 4.1Å; L1319-L1336 HydrophobicContact CB-CB 4.24Å; L1319-L1336 HydrophobicContact CB-CD1 3.96Å; L1319-L1336 HydrophobicContact CB-CD2 4.42Å; L1319-L1336 HydrophobicContact CB-CG 4.44Å; L1319-L1336 HydrophobicContact CD1-CB 4.27Å; L1319-L1339 HydrophobicContact CD1-CD1 3.58Å |
| 1320 | E | 90.5 | Very high | 87.1 | Confident | 57 Ų | 57 | 55.9 Ų | 55.9 | 27% | 0.266 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 172.1 | -76.8 | -178.4 | 170.1 | 0 | 0 | 111.2 | I1316 A1322 L1323 L1336 F1340 K1347 | I1316-E1320 HydrophobicContact CG2-CG 4.19Å; I1316-E1320 WeakPolarHBondContact O-CB 3.43Å; I1316-E1320 WeakPolarHBondContact O-CG 3.27Å; I1316-E1320 PolarHBondContact O-N 3.38Å; E1320-A1322 VanDerWaalsContact C-N 3.25Å; E1320-A1322 PolarHBondContact O-N 3.21Å; E1320-L1323 WeakPolarHBondContact O-CB 3.44Å; E1320-L1323 PolarHBondContact O-N 3.05Å; E1320-L1336 HydrophobicContact CG-CD1 4.33Å; E1320-L1336 HydrophobicContact CG-CD2 4.14Å; E1320-F1340 HydrophobicContact CG-CZ 4.06Å; E1320-F1340 VanDerWaalsContact OE1-CZ 3.3Å; E1320-F1340 WeakPolarHBondContact OE1-CZ 3.48Å; E1320-K1347 IonicContact OE1-NZ 2.77Å; E1320-K1347 PolarHBondContact OE1-NZ 3.25Å; E1320-K1347 IonicContact OE2-NZ 3.45Å |
| 1321 | A | 88.1 | Confident | 87.3 | Confident | 42 Ų | 42 | 55 Ų | 55 | 35% | 0.347 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65 | -31.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1290 N1317 L1318 L1323 | L1290-A1321 HydrophobicContact CD1-CB 4.43Å; L1290-A1321 HydrophobicContact CD2-CB 3.83Å; N1317-A1321 WeakPolarHBondContact O-CB 3.48Å; N1317-A1321 PolarHBondContact O-N 3Å; N1317-A1321 VanDerWaalsContact O-N 3.13Å; L1318-A1321 PolarHBondContact O-N 2.8Å; A1321-L1323 VanDerWaalsContact C-N 3.3Å; A1321-L1323 PolarHBondContact O-N 3.4Å |
| 1322 | A | 88.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.4 | -23.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1290 V1293 L1318 L1319 E1320 G1324 L1325 I1332 | L1290-A1322 HydrophobicContact CD2-CB 3.98Å; V1293-A1322 HydrophobicContact CB-CB 4.34Å; V1293-A1322 HydrophobicContact CG2-CB 3.54Å; L1318-A1322 WeakPolarHBondContact O-CB 3.41Å; L1318-A1322 PolarHBondContact O-N 3.44Å; L1319-A1322 WeakPolarHBondContact O-CB 3.17Å; L1319-A1322 PolarHBondContact O-N 2.84Å; L1319-A1322 VanDerWaalsContact O-N 3.11Å; E1320-A1322 VanDerWaalsContact C-N 3.25Å; E1320-A1322 PolarHBondContact O-N 3.21Å; A1322-G1324 PolarHBondContact O-N 3.39Å; A1322-L1325 HydrophobicContact CB-CD1 4.26Å; A1322-L1325 WeakPolarHBondContact O-CB 3.45Å; A1322-L1325 PolarHBondContact O-N 2.98Å; A1322-L1325 VanDerWaalsContact O-N 3.1Å; A1322-I1332 HydrophobicContact CB-CD1 4.28Å; A1322-I1332 HydrophobicContact CB-CG2 3.95Å |
| 1323 | L | 86.4 | Confident | 87.7 | Confident | 30 Ų | 30 | 47.3 Ų | 47.3 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -29.3 | 178.1 | -59.8 | 175.8 | 0 | 0 | 0 | 112.6 | L1319 E1320 A1321 L1325 I1332 F1333 L1336 F1355 | L1319-L1323 WeakPolarHBondContact O-CG 3.27Å; L1319-L1323 PolarHBondContact O-N 3.28Å; E1320-L1323 WeakPolarHBondContact O-CB 3.44Å; E1320-L1323 PolarHBondContact O-N 3.05Å; A1321-L1323 VanDerWaalsContact C-N 3.3Å; A1321-L1323 PolarHBondContact O-N 3.4Å; L1323-L1325 VanDerWaalsContact C-N 3.34Å; L1323-I1332 HydrophobicContact CD2-CG2 4.25Å; L1323-F1333 HydrophobicContact CB-CE1 4.42Å; L1323-F1333 HydrophobicContact CD2-CD1 3.44Å; L1323-F1333 VanDerWaalsContact CD2-CD1 3.44Å; L1323-F1333 HydrophobicContact CD2-CE1 3.39Å; L1323-F1333 HydrophobicContact CD2-CG 4.1Å; L1323-F1333 HydrophobicContact CD2-CZ 3.99Å; L1323-F1333 HydrophobicContact CG-CE1 4.43Å; L1323-L1336 HydrophobicContact CD1-CD2 3.66Å; L1323-L1336 HydrophobicContact CD2-CD2 3.91Å; L1323-L1336 HydrophobicContact CG-CD2 3.99Å; L1323-F1355 HydrophobicContact CD1-CD2 4.46Å; L1323-F1355 HydrophobicContact CD1-CE2 3.85Å; L1323-F1355 HydrophobicContact CD1-CZ 4.32Å |
| 1324 | G | 83.1 | Confident | 88 | Confident | 73 Ų | 73 | 43.8 Ų | 43.8 | 75% | 0.753 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | -2.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1322 | A1322-G1324 PolarHBondContact O-N 3.39Š|
| 1325 | L | 84.3 | Confident | 88.2 | Confident | 54 Ų | 54 | 42.5 Ų | 42.5 | 28% | 0.283 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -78.8 | 137.2 | 179.2 | -63.3 | 174.8 | 0 | 0 | 0 | 111 | L1290 V1293 V1294 A1322 L1323 R1327 A1328 | L1290-L1325 HydrophobicContact CB-CD1 4.36Å; L1290-L1325 HydrophobicContact CD2-CD1 4.06Å; L1290-L1325 WeakPolarHBondContact O-CD1 3.1Å; V1293-L1325 HydrophobicContact CG2-CD1 4.28Å; V1294-L1325 HydrophobicContact CG2-CD1 3.7Å; A1322-L1325 HydrophobicContact CB-CD1 4.26Å; A1322-L1325 WeakPolarHBondContact O-CB 3.45Å; A1322-L1325 PolarHBondContact O-N 2.98Å; A1322-L1325 VanDerWaalsContact O-N 3.1Å; L1323-L1325 VanDerWaalsContact C-N 3.34Å; L1325-R1327 PolarHBondContact O-N 2.92Å; L1325-R1327 VanDerWaalsContact O-N 3.12Å; L1325-A1328 VanDerWaalsContact O-CB 3.28Å; L1325-A1328 WeakPolarHBondContact O-CB 3.42Å; L1325-A1328 PolarHBondContact O-N 3.19Å |
| 1326 | E | 77.2 | Confident | 88.3 | Confident | 205 Ų | 205 | 42.5 Ų | 42.5 | 96% | 0.958 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -32.1 | 177.5 | -70.8 | -175.5 | 165.6 | 0 | 0 | 113 | ||
| 1327 | R | 81.4 | Confident | 88.3 | Confident | 167 Ų | 167 | 42.5 Ų | 42.5 | 63% | 0.63 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 18.2 | -179.5 | -62.3 | -179.7 | 62.9 | -167.8 | -2.4 | 113.8 | V1294 L1325 H1329 | V1294-R1327 HydrophobicContact CG1-CB 3.38Å; V1294-R1327 HydrophobicContact CG1-CG 4.25Å; V1294-R1327 HydrophobicContact CG2-CB 4.45Å; L1325-R1327 PolarHBondContact O-N 2.92Å; L1325-R1327 VanDerWaalsContact O-N 3.12Å; R1327-H1329 PolarHBondContact O-N 2.94Å |
| 1328 | A | 85.2 | Confident | 88.4 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 7% | 0.066 | 22% | 0.221 | C | C | . | . | trans | -62.7 | 121.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1325 I1332 F1333 R1358 | L1325-A1328 VanDerWaalsContact O-CB 3.28Å; L1325-A1328 WeakPolarHBondContact O-CB 3.42Å; L1325-A1328 PolarHBondContact O-N 3.19Å; A1328-I1332 HydrophobicContact CB-CD1 4.05Å; A1328-F1333 HydrophobicContact CB-CE2 3.84Å; A1328-F1333 HydrophobicContact CB-CZ 4.03Å; A1328-R1358 PolarHBondContact O-NH2 2.78Å | ||
| 1329 | H | 90 | Very high | 88.4 | Confident | 44 Ų | 44 | 40.8 Ų | 40.8 | 20% | 0.204 | 22% | 0.221 | C | C | . | . | trans | -103.3 | 165.8 | -179.6 | 65.9 | -87.9 | 0 | 0 | 0 | 110.9 | V1293 V1294 A1296 R1327 G1331 I1332 F1333 | V1293-H1329 PolarHBondContact O-CE1 3.37Å; V1294-H1329 PolarHBondContact O-ND1 3.28Å; A1296-H1329 WeakPolarHBondContact CA-CE1 3.46Å; A1296-H1329 VanDerWaalsContact CA-NE2 3.32Å; A1296-H1329 WeakPolarHBondContact CA-NE2 3.25Å; A1296-H1329 WeakPolarHBondContact CB-NE2 3.3Å; R1327-H1329 PolarHBondContact O-N 2.94Å; H1329-G1331 PolarHBondContact CD2-N 3.39Å; H1329-G1331 VanDerWaalsContact CD2-N 3.26Å; H1329-G1331 PolarHBondContact O-N 3.35Å; H1329-G1331 VanDerWaalsContact O-N 3.09Å; H1329-I1332 PolarHBondContact O-N 3.41Å; H1329-I1332 VanDerWaalsContact O-N 3.07Å; H1329-F1333 VanDerWaalsContact O-CD2 3.31Å; H1329-F1333 WeakPolarHBondContact O-CD2 3.01Å | ||
| 1330 | M | 89 | Confident | 88.5 | Confident | 96 Ų | 96 | 41 Ų | 41 | 47% | 0.473 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -53.5 | -32.4 | -174.5 | 175.5 | -178.6 | -68.2 | 0 | 0 | 114.4 | I1332 F1333 T1334 R1358 N1360 | M1330-I1332 VanDerWaalsContact C-N 3.33Å; M1330-I1332 PolarHBondContact O-N 3.45Å; M1330-F1333 PolarHBondContact O-N 3.42Å; M1330-T1334 WeakPolarHBondContact O-CB 3.34Å; M1330-T1334 PolarHBondContact O-N 3.11Å; M1330-T1334 PolarHBondContact O-OG1 2.76Å; M1330-R1358 VanDerWaalsContact CA-O 3.27Å; M1330-R1358 WeakPolarHBondContact CA-O 3.45Å; M1330-R1358 VanDerWaalsContact CG-O 3.24Å; M1330-R1358 WeakPolarHBondContact CG-O 3.3Å; M1330-N1360 HydrophobicContact SD-CB 4.12Å |
| 1331 | G | 88.8 | Confident | 88.4 | Confident | 22 Ų | 22 | 38.7 Ų | 38.7 | 23% | 0.227 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.2 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | H1329 F1333 T1334 E1335 | H1329-G1331 PolarHBondContact CD2-N 3.39Å; H1329-G1331 VanDerWaalsContact CD2-N 3.26Å; H1329-G1331 PolarHBondContact O-N 3.35Å; H1329-G1331 VanDerWaalsContact O-N 3.09Å; G1331-F1333 PolarHBondContact O-N 3.41Å; G1331-T1334 PolarHBondContact O-N 3.49Å; G1331-E1335 WeakPolarHBondContact O-CB 3.45Å; G1331-E1335 WeakPolarHBondContact O-CG 3.38Å; G1331-E1335 PolarHBondContact O-N 2.92Å |
| 1332 | I | 91.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -49.1 | 179.7 | -56 | 177.3 | 0 | 0 | 0 | 110.8 | V1293 L1299 L1319 A1322 L1323 A1328 H1329 M1330 T1334 L1336 | V1293-I1332 HydrophobicContact CB-CD1 4.33Å; V1293-I1332 HydrophobicContact CG2-CD1 4.46Å; V1293-I1332 VanDerWaalsContact O-CD1 3.27Å; V1293-I1332 WeakPolarHBondContact O-CD1 3.42Å; L1299-I1332 HydrophobicContact CD2-CG1 4.32Å; L1319-I1332 HydrophobicContact CD2-CG2 4.1Å; A1322-I1332 HydrophobicContact CB-CD1 4.28Å; A1322-I1332 HydrophobicContact CB-CG2 3.95Å; L1323-I1332 HydrophobicContact CD2-CG2 4.25Å; A1328-I1332 HydrophobicContact CB-CD1 4.05Å; H1329-I1332 PolarHBondContact O-N 3.41Å; H1329-I1332 VanDerWaalsContact O-N 3.07Å; M1330-I1332 VanDerWaalsContact C-N 3.33Å; M1330-I1332 PolarHBondContact O-N 3.45Å; I1332-T1334 VanDerWaalsContact C-N 3.32Å; I1332-T1334 PolarHBondContact O-N 3.27Å; I1332-L1336 WeakPolarHBondContact O-CB 3.45Å; I1332-L1336 PolarHBondContact O-N 2.84Å |
| 1333 | F | 92.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.6 | -38.7 | -179.5 | -60.4 | -92 | 0 | 0 | 0 | 111.6 | L1323 A1328 H1329 M1330 G1331 A1337 H1351 F1355 R1358 V1359 | L1323-F1333 HydrophobicContact CB-CE1 4.42Å; L1323-F1333 HydrophobicContact CD2-CD1 3.44Å; L1323-F1333 VanDerWaalsContact CD2-CD1 3.44Å; L1323-F1333 HydrophobicContact CD2-CE1 3.39Å; L1323-F1333 HydrophobicContact CD2-CG 4.1Å; L1323-F1333 HydrophobicContact CD2-CZ 3.99Å; L1323-F1333 HydrophobicContact CG-CE1 4.43Å; A1328-F1333 HydrophobicContact CB-CE2 3.84Å; A1328-F1333 HydrophobicContact CB-CZ 4.03Å; H1329-F1333 VanDerWaalsContact O-CD2 3.31Å; H1329-F1333 WeakPolarHBondContact O-CD2 3.01Å; M1330-F1333 PolarHBondContact O-N 3.42Å; G1331-F1333 PolarHBondContact O-N 3.41Å; F1333-A1337 WeakPolarHBondContact O-CB 3.34Å; F1333-A1337 PolarHBondContact O-N 3.2Å; F1333-H1351 PolarHBondContact O-NE2 3.49Å; F1333-F1355 HydrophobicContact CD1-CB 3.62Å; F1333-F1355 AromaticContact CD1-CD1 3.94Å; F1333-F1355 HydrophobicContact CD1-CD1 3.94Å; F1333-F1355 HydrophobicContact CD1-CD2 4.25Å; F1333-F1355 AromaticContact CD1-CG 3.68Å; F1333-F1355 HydrophobicContact CD1-CG 3.68Å; F1333-F1355 HydrophobicContact CE1-CB 4.14Å; F1333-F1355 AromaticContact CE1-CD1 3.53Å; F1333-F1355 HydrophobicContact CE1-CD1 3.53Å; F1333-F1355 HydrophobicContact CE1-CD2 4.38Å; F1333-F1355 AromaticContact CE1-CE1 3.96Å; F1333-F1355 HydrophobicContact CE1-CE1 3.96Å; F1333-F1355 AromaticContact CE1-CG 3.76Å; F1333-F1355 HydrophobicContact CE1-CG 3.76Å; F1333-R1358 HydrophobicContact CB-CB 4.49Å; F1333-R1358 WeakPolarHBondContact CB-O 3.13Å; F1333-R1358 HydrophobicContact CD1-CB 4.2Å; F1333-R1358 HydrophobicContact CD2-CB 3.92Å; F1333-R1358 HydrophobicContact CE1-CB 4.49Å; F1333-R1358 HydrophobicContact CE2-CB 4.26Å; F1333-R1358 HydrophobicContact CG-CB 3.93Å; F1333-R1358 VanDerWaalsContact CZ-NH1 3.3Å; F1333-V1359 HydrophobicContact CB-CG1 3.58Å |
| 1334 | T | 92.7 | Very high | 88.4 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.5 | -47.9 | -178.2 | -54.3 | 0 | 0 | 0 | 0 | 111 | M1330 G1331 I1332 A1337 I1338 N1360 K1363 V1364 | M1330-T1334 WeakPolarHBondContact O-CB 3.34Å; M1330-T1334 PolarHBondContact O-N 3.11Å; M1330-T1334 PolarHBondContact O-OG1 2.76Å; G1331-T1334 PolarHBondContact O-N 3.49Å; I1332-T1334 VanDerWaalsContact C-N 3.32Å; I1332-T1334 PolarHBondContact O-N 3.27Å; T1334-A1337 WeakPolarHBondContact O-CB 3.39Å; T1334-A1337 PolarHBondContact O-N 3.27Å; T1334-I1338 HydrophobicContact CG2-CD1 4.19Å; T1334-I1338 VanDerWaalsContact O-CG1 3.29Å; T1334-I1338 WeakPolarHBondContact O-CG1 3.49Å; T1334-I1338 PolarHBondContact O-N 3.32Å; T1334-N1360 HydrophobicContact CG2-CB 3.86Å; T1334-N1360 PolarHBondContact OG1-N 2.86Å; T1334-K1363 HydrophobicContact CG2-CB 4.14Å; T1334-K1363 HydrophobicContact CG2-CD 3.89Å; T1334-K1363 HydrophobicContact CG2-CG 4.38Å; T1334-V1364 HydrophobicContact CG2-CG2 3.96Å |
| 1335 | E | 91.4 | Very high | 88.5 | Confident | 36 Ų | 36 | 45.9 Ų | 45.9 | 17% | 0.168 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.2 | -36.9 | 179 | -67.6 | -56.4 | 145.3 | 0 | 0 | 111.9 | L1299 I1303 G1331 A1337 I1338 L1339 K1363 | L1299-E1335 HydrophobicContact CD2-CB 4.5Å; L1299-E1335 HydrophobicContact CD2-CG 4.05Å; I1303-E1335 HydrophobicContact CD1-CB 3.5Å; I1303-E1335 VanDerWaalsContact CD1-CB 3.5Å; I1303-E1335 HydrophobicContact CD1-CG 3.49Å; I1303-E1335 VanDerWaalsContact CD1-CG 3.49Å; G1331-E1335 WeakPolarHBondContact O-CB 3.45Å; G1331-E1335 WeakPolarHBondContact O-CG 3.38Å; G1331-E1335 PolarHBondContact O-N 2.92Å; E1335-A1337 VanDerWaalsContact C-N 3.31Å; E1335-A1337 PolarHBondContact O-N 3.38Å; E1335-I1338 PolarHBondContact O-N 2.84Å; E1335-L1339 WeakPolarHBondContact O-CG 3.45Å; E1335-L1339 PolarHBondContact O-N 2.8Å; E1335-K1363 IonicContact OE1-NZ 2.87Å; E1335-K1363 PolarHBondContact OE1-NZ 3.32Å |
| 1336 | L | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.6 | -41.2 | 172.2 | -177.2 | 58.7 | 0 | 0 | 0 | 111.6 | I1316 L1319 E1320 L1323 I1332 I1338 L1339 F1340 | I1316-L1336 HydrophobicContact CG2-CD1 4.28Å; L1319-L1336 HydrophobicContact CB-CB 4.24Å; L1319-L1336 HydrophobicContact CB-CD1 3.96Å; L1319-L1336 HydrophobicContact CB-CD2 4.42Å; L1319-L1336 HydrophobicContact CB-CG 4.44Å; L1319-L1336 HydrophobicContact CD1-CB 4.27Å; E1320-L1336 HydrophobicContact CG-CD1 4.33Å; E1320-L1336 HydrophobicContact CG-CD2 4.14Å; L1323-L1336 HydrophobicContact CD1-CD2 3.66Å; L1323-L1336 HydrophobicContact CD2-CD2 3.91Å; L1323-L1336 HydrophobicContact CG-CD2 3.99Å; I1332-L1336 WeakPolarHBondContact O-CB 3.45Å; I1332-L1336 PolarHBondContact O-N 2.84Å; L1336-I1338 VanDerWaalsContact C-N 3.32Å; L1336-I1338 PolarHBondContact O-N 2.94Å; L1336-L1339 PolarHBondContact O-N 3.29Å; L1336-F1340 HydrophobicContact CD1-CD1 4.2Å; L1336-F1340 HydrophobicContact CD1-CD2 4.41Å; L1336-F1340 HydrophobicContact CD1-CE1 3.73Å; L1336-F1340 HydrophobicContact CD1-CE2 3.93Å; L1336-F1340 HydrophobicContact CD1-CZ 3.58Å; L1336-F1340 HydrophobicContact CD2-CE2 3.91Å; L1336-F1340 HydrophobicContact CD2-CZ 4Å; L1336-F1340 HydrophobicContact CG-CD2 4.07Å; L1336-F1340 HydrophobicContact CG-CE1 4.33Å; L1336-F1340 HydrophobicContact CG-CE2 3.6Å; L1336-F1340 HydrophobicContact CG-CZ 3.76Å; L1336-F1340 WeakPolarHBondContact O-CG 3.3Å; L1336-F1340 PolarHBondContact O-N 2.89Å |
| 1337 | A | 91.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.2 | -40.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1333 T1334 E1335 F1340 S1341 M1348 V1364 | F1333-A1337 WeakPolarHBondContact O-CB 3.34Å; F1333-A1337 PolarHBondContact O-N 3.2Å; T1334-A1337 WeakPolarHBondContact O-CB 3.39Å; T1334-A1337 PolarHBondContact O-N 3.27Å; E1335-A1337 VanDerWaalsContact C-N 3.31Å; E1335-A1337 PolarHBondContact O-N 3.38Å; A1337-F1340 PolarHBondContact O-N 3.43Å; A1337-S1341 PolarHBondContact O-N 3.25Å; A1337-M1348 HydrophobicContact CB-CE 3.67Å; A1337-M1348 HydrophobicContact CB-SD 3.95Å; A1337-V1364 HydrophobicContact CB-CG1 3.95Å; A1337-V1364 HydrophobicContact CB-CG2 3.94Å |
| 1338 | I | 90.6 | Very high | 89.5 | Confident | 17 Ų | 17 | 35 Ų | 35 | 9% | 0.087 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.6 | -36.6 | 175.8 | -65.1 | 163.9 | 0 | 0 | 0 | 111.4 | T1334 E1335 L1336 S1341 K1342 K1363 A1367 | T1334-I1338 HydrophobicContact CG2-CD1 4.19Å; T1334-I1338 VanDerWaalsContact O-CG1 3.29Å; T1334-I1338 WeakPolarHBondContact O-CG1 3.49Å; T1334-I1338 PolarHBondContact O-N 3.32Å; E1335-I1338 PolarHBondContact O-N 2.84Å; L1336-I1338 VanDerWaalsContact C-N 3.32Å; L1336-I1338 PolarHBondContact O-N 2.94Å; I1338-S1341 PolarHBondContact O-N 2.91Å; I1338-S1341 PolarHBondContact O-OG 3.16Å; I1338-K1342 HydrophobicContact CG2-CD 4.45Å; I1338-K1342 WeakPolarHBondContact O-CG 3.34Å; I1338-K1342 PolarHBondContact O-N 2.76Å; I1338-K1363 HydrophobicContact CD1-CD 3.89Å; I1338-K1363 HydrophobicContact CD1-CG 4.02Å; I1338-A1367 HydrophobicContact CG1-CB 3.92Å; I1338-A1367 HydrophobicContact CG2-CB 4.45Å |
| 1339 | L | 90.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.3 | -41.2 | 174.8 | -70.3 | 174.3 | 0 | 0 | 0 | 111.7 | L1315 I1316 L1319 E1335 L1336 S1341 K1342 Y1343 | L1315-L1339 HydrophobicContact CD2-CD1 3.63Å; L1315-L1339 HydrophobicContact CD2-CD2 4.04Å; L1315-L1339 HydrophobicContact CD2-CG 4.49Å; L1315-L1339 HydrophobicContact CG-CD1 3.77Å; I1316-L1339 HydrophobicContact CD1-CB 4.49Å; I1316-L1339 HydrophobicContact CG1-CB 4.08Å; I1316-L1339 HydrophobicContact CG1-CD1 4.21Å; L1319-L1339 HydrophobicContact CD1-CD1 3.58Å; E1335-L1339 WeakPolarHBondContact O-CG 3.45Å; E1335-L1339 PolarHBondContact O-N 2.8Å; L1336-L1339 PolarHBondContact O-N 3.29Å; L1339-S1341 VanDerWaalsContact C-N 3.33Å; L1339-K1342 PolarHBondContact O-N 3.29Å; L1339-Y1343 HydrophobicContact CD2-CD2 4.01Å; L1339-Y1343 HydrophobicContact CD2-CE2 3.84Å; L1339-Y1343 WeakPolarHBondContact O-CD2 3.3Å; L1339-Y1343 PolarHBondContact O-N 3.23Å |
| 1340 | F | 92.6 | Very high | 89.5 | Confident | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | 172.9 | -71.4 | -24.8 | 0 | 0 | 0 | 111 | I1316 E1320 L1336 A1337 K1342 K1344 P1345 K1347 M1348 H1351 | I1316-F1340 HydrophobicContact CG2-CD1 4.42Å; I1316-F1340 HydrophobicContact CG2-CE1 3.64Å; I1316-F1340 HydrophobicContact CG2-CZ 4.46Å; E1320-F1340 HydrophobicContact CG-CZ 4.06Å; E1320-F1340 VanDerWaalsContact OE1-CZ 3.3Å; E1320-F1340 WeakPolarHBondContact OE1-CZ 3.48Å; L1336-F1340 HydrophobicContact CD1-CD1 4.2Å; L1336-F1340 HydrophobicContact CD1-CD2 4.41Å; L1336-F1340 HydrophobicContact CD1-CE1 3.73Å; L1336-F1340 HydrophobicContact CD1-CE2 3.93Å; L1336-F1340 HydrophobicContact CD1-CZ 3.58Å; L1336-F1340 HydrophobicContact CD2-CE2 3.91Å; L1336-F1340 HydrophobicContact CD2-CZ 4Å; L1336-F1340 HydrophobicContact CG-CD2 4.07Å; L1336-F1340 HydrophobicContact CG-CE1 4.33Å; L1336-F1340 HydrophobicContact CG-CE2 3.6Å; L1336-F1340 HydrophobicContact CG-CZ 3.76Å; L1336-F1340 WeakPolarHBondContact O-CG 3.3Å; L1336-F1340 PolarHBondContact O-N 2.89Å; A1337-F1340 PolarHBondContact O-N 3.43Å; F1340-K1342 PolarHBondContact O-N 2.99Å; F1340-K1344 HydrophobicContact CD1-CB 4.01Å; F1340-K1344 CarbonylContact O-C 3.54Å; F1340-K1344 WeakPolarHBondContact O-CA 3.02Å; F1340-K1344 PolarHBondContact O-N 2.86Å; F1340-K1344 VanDerWaalsContact O-O 3.12Å; F1340-P1345 WeakPolarHBondContact O-CA 3.2Å; F1340-K1347 HydrophobicContact CD1-CB 3.99Å; F1340-K1347 HydrophobicContact CD1-CD 4.33Å; F1340-K1347 HydrophobicContact CD2-CB 4.17Å; F1340-K1347 HydrophobicContact CE1-CB 3.94Å; F1340-K1347 HydrophobicContact CE1-CD 3.65Å; F1340-K1347 HydrophobicContact CE1-CG 4.46Å; F1340-K1347 HydrophobicContact CE2-CB 4.16Å; F1340-K1347 HydrophobicContact CG-CB 4.09Å; F1340-K1347 HydrophobicContact CZ-CB 4.04Å; F1340-K1347 HydrophobicContact CZ-CD 3.93Å; F1340-M1348 HydrophobicContact CB-CB 4.14Å; F1340-M1348 HydrophobicContact CB-SD 3.91Å; F1340-H1351 HydrophobicContact CD2-CB 3.76Å; F1340-H1351 AromaticContact CD2-CG 3.9Å; F1340-H1351 HydrophobicContact CE2-CB 3.69Å; F1340-H1351 AromaticContact CE2-CG 3.77Å; F1340-H1351 AromaticContact CE2-ND1 3.92Å |
| 1341 | S | 89.1 | Confident | 89.6 | Confident | 7 Ų | 7 | 36.9 Ų | 36.9 | 5% | 0.049 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.2 | -31.7 | 178.2 | 83 | 0 | 0 | 0 | 0 | 113.1 | A1337 I1338 L1339 A1371 | A1337-S1341 PolarHBondContact O-N 3.25Å; I1338-S1341 PolarHBondContact O-N 2.91Å; I1338-S1341 PolarHBondContact O-OG 3.16Å; L1339-S1341 VanDerWaalsContact C-N 3.33Å; S1341-A1371 VanDerWaalsContact O-CB 3.31Å; S1341-A1371 WeakPolarHBondContact O-CB 3.49Å |
| 1342 | K | 86.3 | Confident | 89.6 | Confident | 122 Ų | 122 | 35.8 Ų | 35.8 | 53% | 0.53 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -87.2 | -39.3 | -179.6 | -71.5 | 179.4 | 179.3 | -179.3 | 0 | 114.7 | I1338 L1339 F1340 | I1338-K1342 HydrophobicContact CG2-CD 4.45Å; I1338-K1342 WeakPolarHBondContact O-CG 3.34Å; I1338-K1342 PolarHBondContact O-N 2.76Å; L1339-K1342 PolarHBondContact O-N 3.29Å; F1340-K1342 PolarHBondContact O-N 2.99Å |
| 1343 | Y | 88.4 | Confident | 89.4 | Confident | 94 Ų | 94 | 40.6 Ų | 40.6 | 37% | 0.369 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -121.2 | -25 | -166.3 | -58.3 | -69.3 | 0 | 0 | 0 | 114.3 | Y1312 L1339 | Y1312-Y1343 HydrophobicContact CD1-CD1 4.39Å; Y1312-Y1343 HydrophobicContact CD1-CE1 4.15Å; Y1312-Y1343 HydrophobicContact CD2-CD1 4Å; Y1312-Y1343 HydrophobicContact CD2-CG 4.09Å; Y1312-Y1343 HydrophobicContact CE2-CD1 4.39Å; Y1312-Y1343 HydrophobicContact CG-CD1 4.01Å; Y1312-Y1343 HydrophobicContact CG-CD2 4.48Å; Y1312-Y1343 HydrophobicContact CG-CE1 4.11Å; Y1312-Y1343 HydrophobicContact CG-CG 4.21Å; L1339-Y1343 HydrophobicContact CD2-CD2 4.01Å; L1339-Y1343 HydrophobicContact CD2-CE2 3.84Å; L1339-Y1343 WeakPolarHBondContact O-CD2 3.3Å; L1339-Y1343 PolarHBondContact O-N 3.23Å |
| 1344 | K | 88.8 | Confident | 89.1 | Confident | 26 Ų | 26 | 45.9 Ų | 45.9 | 11% | 0.113 | 22% | 0.215 | C | C | . | . | trans | -143.3 | 65.3 | -177.7 | -68.8 | -166.5 | -179.9 | 176.3 | 0 | 111.8 | E1313 I1316 F1340 E1346 K1347 | E1313-K1344 VanDerWaalsContact CD-CE 3.46Å; E1313-K1344 VanDerWaalsContact CD-NZ 3.35Å; E1313-K1344 WeakPolarHBondContact OE1-CE 3.22Å; E1313-K1344 IonicContact OE1-NZ 2.8Å; E1313-K1344 PolarHBondContact OE1-NZ 3.37Å; E1313-K1344 VanDerWaalsContact OE2-CE 3.27Å; E1313-K1344 WeakPolarHBondContact OE2-CE 3.21Å; E1313-K1344 IonicContact OE2-NZ 3.55Å; E1313-K1344 PolarHBondContact OE2-NZ 3.48Å; I1316-K1344 HydrophobicContact CD1-CD 4.14Å; I1316-K1344 HydrophobicContact CD1-CG 4.19Å; F1340-K1344 HydrophobicContact CD1-CB 4.01Å; F1340-K1344 CarbonylContact O-C 3.54Å; F1340-K1344 WeakPolarHBondContact O-CA 3.02Å; F1340-K1344 PolarHBondContact O-N 2.86Å; F1340-K1344 VanDerWaalsContact O-O 3.12Å; K1344-E1346 WeakPolarHBondContact CA-OE2 3.34Å; K1344-E1346 WeakPolarHBondContact CB-OE1 3.22Å; K1344-E1346 PolarHBondContact O-N 3.39Å; K1344-E1346 VanDerWaalsContact O-N 3.14Å; K1344-K1347 HydrophobicContact CD-CD 4.12Å; K1344-K1347 PolarHBondContact O-N 2.89Å; K1344-K1347 VanDerWaalsContact O-N 3.11Å | ||
| 1345 | P | 85.6 | Confident | 89 | Confident | 54 Ų | 54 | 48 Ų | 48 | 35% | 0.351 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.1 | -28.1 | -175.3 | 24 | -34.3 | 0 | 0 | 0 | 112.5 | F1340 K1347 M1348 L1373 | F1340-P1345 WeakPolarHBondContact O-CA 3.2Å; P1345-K1347 PolarHBondContact O-N 3.42Å; P1345-M1348 WeakPolarHBondContact O-CB 3.39Å; P1345-M1348 PolarHBondContact O-N 3.24Å; P1345-M1348 VanDerWaalsContact O-N 3.08Å; P1345-L1373 HydrophobicContact CB-CD1 4.2Å; P1345-L1373 HydrophobicContact CB-CD2 3.68Å |
| 1346 | E | 86.9 | Confident | 88.8 | Confident | 134 Ų | 134 | 50.5 Ų | 50.5 | 63% | 0.626 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -61.9 | -26.9 | 178.1 | 70.2 | -73.8 | 172.7 | 0 | 0 | 114.3 | K1344 | K1344-E1346 WeakPolarHBondContact CA-OE2 3.34Å; K1344-E1346 WeakPolarHBondContact CB-OE1 3.22Å; K1344-E1346 PolarHBondContact O-N 3.39Å; K1344-E1346 VanDerWaalsContact O-N 3.14Å |
| 1347 | K | 88.3 | Confident | 88.6 | Confident | 63 Ų | 63 | 54.2 Ų | 54.2 | 27% | 0.274 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -87.6 | -14.9 | 176.9 | -71.6 | -171.6 | 169.2 | -170.1 | 0 | 113.2 | E1320 F1340 K1344 P1345 R1349 E1350 H1351 | E1320-K1347 IonicContact OE1-NZ 2.77Å; E1320-K1347 PolarHBondContact OE1-NZ 3.25Å; E1320-K1347 IonicContact OE2-NZ 3.45Å; F1340-K1347 HydrophobicContact CD1-CB 3.99Å; F1340-K1347 HydrophobicContact CD1-CD 4.33Å; F1340-K1347 HydrophobicContact CD2-CB 4.17Å; F1340-K1347 HydrophobicContact CE1-CB 3.94Å; F1340-K1347 HydrophobicContact CE1-CD 3.65Å; F1340-K1347 HydrophobicContact CE1-CG 4.46Å; F1340-K1347 HydrophobicContact CE2-CB 4.16Å; F1340-K1347 HydrophobicContact CG-CB 4.09Å; F1340-K1347 HydrophobicContact CZ-CB 4.04Å; F1340-K1347 HydrophobicContact CZ-CD 3.93Å; K1344-K1347 HydrophobicContact CD-CD 4.12Å; K1344-K1347 PolarHBondContact O-N 2.89Å; K1344-K1347 VanDerWaalsContact O-N 3.11Å; P1345-K1347 PolarHBondContact O-N 3.42Å; K1347-R1349 VanDerWaalsContact C-N 3.33Å; K1347-R1349 PolarHBondContact O-N 3.46Å; K1347-E1350 PolarHBondContact O-N 3.07Å; K1347-H1351 PolarHBondContact O-N 3.27Å; K1347-H1351 VanDerWaalsContact O-N 3.13Å |
| 1348 | M | 88.7 | Confident | 88.5 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.6 | -41.3 | -171 | -173.7 | 53.8 | -178.9 | 0 | 0 | 112.1 | A1337 F1340 P1345 H1351 L1352 V1364 L1373 E1376 | A1337-M1348 HydrophobicContact CB-CE 3.67Å; A1337-M1348 HydrophobicContact CB-SD 3.95Å; F1340-M1348 HydrophobicContact CB-CB 4.14Å; F1340-M1348 HydrophobicContact CB-SD 3.91Å; P1345-M1348 WeakPolarHBondContact O-CB 3.39Å; P1345-M1348 PolarHBondContact O-N 3.24Å; P1345-M1348 VanDerWaalsContact O-N 3.08Å; M1348-H1351 PolarHBondContact O-N 2.98Å; M1348-L1352 HydrophobicContact CE-CD1 3.62Å; M1348-L1352 HydrophobicContact CE-CD2 3.85Å; M1348-L1352 HydrophobicContact CE-CG 3.72Å; M1348-L1352 HydrophobicContact CG-CD1 4.31Å; M1348-L1352 WeakPolarHBondContact O-CG 3.27Å; M1348-L1352 PolarHBondContact O-N 3.4Å; M1348-L1352 HydrophobicContact SD-CD1 4.45Å; M1348-L1352 HydrophobicContact SD-CG 4.23Å; M1348-V1364 HydrophobicContact CE-CG1 3.28Å; M1348-L1373 HydrophobicContact CB-CD1 4.29Å; M1348-L1373 HydrophobicContact CG-CD1 4.05Å; M1348-E1376 HydrophobicContact CB-CG 4.32Å; M1348-E1376 HydrophobicContact CG-CG 3.99Å |
| 1349 | R | 86.1 | Confident | 88.4 | Confident | 50 Ų | 50 | 58.3 Ų | 58.3 | 19% | 0.189 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60 | -51.4 | 179.2 | -174 | 68.1 | -170.4 | -169.6 | 8 | 112.8 | K1347 H1351 L1352 E1353 S1375 E1376 | K1347-R1349 VanDerWaalsContact C-N 3.33Å; K1347-R1349 PolarHBondContact O-N 3.46Å; R1349-H1351 VanDerWaalsContact C-N 3.32Å; R1349-H1351 PolarHBondContact O-N 3.01Å; R1349-L1352 PolarHBondContact O-N 3.49Å; R1349-E1353 IonicContact CZ-OE1 3.25Å; R1349-E1353 IonicContact NE-OE1 3.89Å; R1349-E1353 PolarHBondContact NE-OE1 3.46Å; R1349-E1353 IonicContact NH2-OE1 3.57Å; R1349-E1353 PolarHBondContact NH2-OE1 3.3Å; R1349-E1353 WeakPolarHBondContact O-CG 3.19Å; R1349-E1353 PolarHBondContact O-N 3.16Å; R1349-S1375 PolarHBondContact NH1-O 3.19Å; R1349-E1376 HydrophobicContact CB-CG 4.37Å |
| 1350 | E | 87.9 | Confident | 88.5 | Confident | 130 Ų | 130 | 61.6 Ų | 61.6 | 61% | 0.607 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62 | -42.3 | -179.3 | -175.9 | 178.2 | -173.4 | 0 | 0 | 110.9 | K1347 L1352 E1353 L1354 | K1347-E1350 PolarHBondContact O-N 3.07Å; E1350-L1352 PolarHBondContact O-N 2.89Å; E1350-E1353 PolarHBondContact O-N 3.24Å; E1350-L1354 HydrophobicContact CG-CD1 4.07Å; E1350-L1354 WeakPolarHBondContact O-CG 3.49Å; E1350-L1354 PolarHBondContact O-N 3.04Å; E1350-L1354 VanDerWaalsContact O-N 3.08Å |
| 1351 | H | 90.9 | Very high | 88.4 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 176.9 | -177.6 | 71 | 0 | 0 | 0 | 112.4 | F1333 F1340 K1347 M1348 R1349 L1354 F1355 | F1333-H1351 PolarHBondContact O-NE2 3.49Å; F1340-H1351 HydrophobicContact CD2-CB 3.76Å; F1340-H1351 AromaticContact CD2-CG 3.9Å; F1340-H1351 HydrophobicContact CE2-CB 3.69Å; F1340-H1351 AromaticContact CE2-CG 3.77Å; F1340-H1351 AromaticContact CE2-ND1 3.92Å; K1347-H1351 PolarHBondContact O-N 3.27Å; K1347-H1351 VanDerWaalsContact O-N 3.13Å; M1348-H1351 PolarHBondContact O-N 2.98Å; R1349-H1351 VanDerWaalsContact C-N 3.32Å; R1349-H1351 PolarHBondContact O-N 3.01Å; H1351-L1354 PolarHBondContact O-N 3.43Å; H1351-F1355 AromaticContact CE1-CD2 3.81Å; H1351-F1355 AromaticContact ND1-CD2 3.48Å; H1351-F1355 WeakPolarHBondContact ND1-CD2 3.36Å; H1351-F1355 WeakPolarHBondContact O-CB 3.36Å; H1351-F1355 WeakPolarHBondContact O-CD2 3.23Å; H1351-F1355 PolarHBondContact O-N 3.31Å |
| 1352 | L | 90 | Very high | 88.4 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67 | -43.1 | 177.4 | -72.4 | -177.3 | 0 | 0 | 0 | 112.1 | M1348 R1349 E1350 L1354 F1355 W1356 V1359 V1364 E1376 F1379 L1380 | M1348-L1352 HydrophobicContact CE-CD1 3.62Å; M1348-L1352 HydrophobicContact CE-CD2 3.85Å; M1348-L1352 HydrophobicContact CE-CG 3.72Å; M1348-L1352 HydrophobicContact CG-CD1 4.31Å; M1348-L1352 WeakPolarHBondContact O-CG 3.27Å; M1348-L1352 PolarHBondContact O-N 3.4Å; M1348-L1352 HydrophobicContact SD-CD1 4.45Å; M1348-L1352 HydrophobicContact SD-CG 4.23Å; R1349-L1352 PolarHBondContact O-N 3.49Å; E1350-L1352 PolarHBondContact O-N 2.89Å; L1352-L1354 VanDerWaalsContact C-N 3.26Å; L1352-L1354 PolarHBondContact O-N 2.81Å; L1352-F1355 PolarHBondContact O-N 2.92Å; L1352-W1356 WeakPolarHBondContact O-CA 3.23Å; L1352-W1356 WeakPolarHBondContact O-CB 3.41Å; L1352-W1356 PolarHBondContact O-N 2.88Å; L1352-V1359 HydrophobicContact CD2-CG2 4.41Å; L1352-V1364 HydrophobicContact CD2-CG1 4.29Å; L1352-E1376 HydrophobicContact CD1-CB 3.88Å; L1352-E1376 HydrophobicContact CD1-CG 4.27Å; L1352-F1379 HydrophobicContact CB-CD1 3.95Å; L1352-F1379 HydrophobicContact CB-CE1 3.74Å; L1352-F1379 HydrophobicContact CD1-CD1 4.36Å; L1352-L1380 HydrophobicContact CD1-CD1 3.99Å; L1352-L1380 HydrophobicContact CD1-CD2 4.05Å; L1352-L1380 HydrophobicContact CD1-CG 3.86Å; L1352-L1380 HydrophobicContact CD2-CD2 3.73Å; L1352-L1380 HydrophobicContact CD2-CG 4.43Å; L1352-L1380 HydrophobicContact CG-CD2 4.46Å |
| 1353 | E | 87.3 | Confident | 88.6 | Confident | 101 Ų | 101 | 62.3 Ų | 62.3 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.5 | -37.4 | 178.5 | -74.7 | -179.8 | 176.1 | 0 | 0 | 112.2 | R1349 E1350 F1379 | R1349-E1353 IonicContact CZ-OE1 3.25Å; R1349-E1353 IonicContact NE-OE1 3.89Å; R1349-E1353 PolarHBondContact NE-OE1 3.46Å; R1349-E1353 IonicContact NH2-OE1 3.57Å; R1349-E1353 PolarHBondContact NH2-OE1 3.3Å; R1349-E1353 WeakPolarHBondContact O-CG 3.19Å; R1349-E1353 PolarHBondContact O-N 3.16Å; E1350-E1353 PolarHBondContact O-N 3.24Å; E1353-F1379 HydrophobicContact CG-CE2 4.1Å; E1353-F1379 HydrophobicContact CG-CZ 4.16Å |
| 1354 | L | 86.9 | Confident | 88.8 | Confident | 110 Ų | 110 | 57.9 Ų | 57.9 | 58% | 0.576 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -80.3 | -36.6 | 178.2 | -66.8 | 173.3 | 0 | 0 | 0 | 113.6 | E1350 H1351 L1352 | E1350-L1354 HydrophobicContact CG-CD1 4.07Å; E1350-L1354 WeakPolarHBondContact O-CG 3.49Å; E1350-L1354 PolarHBondContact O-N 3.04Å; E1350-L1354 VanDerWaalsContact O-N 3.08Å; H1351-L1354 PolarHBondContact O-N 3.43Å; L1352-L1354 VanDerWaalsContact C-N 3.26Å; L1352-L1354 PolarHBondContact O-N 2.81Å |
| 1355 | F | 88.8 | Confident | 88.9 | Confident | 50 Ų | 50 | 57.2 Ų | 57.2 | 22% | 0.219 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -129.4 | 14.5 | -164.5 | -54 | -64.8 | 0 | 0 | 0 | 116.1 | L1323 F1333 H1351 L1352 S1357 R1358 V1359 | L1323-F1355 HydrophobicContact CD1-CD2 4.46Å; L1323-F1355 HydrophobicContact CD1-CE2 3.85Å; L1323-F1355 HydrophobicContact CD1-CZ 4.32Å; F1333-F1355 HydrophobicContact CD1-CB 3.62Å; F1333-F1355 AromaticContact CD1-CD1 3.94Å; F1333-F1355 HydrophobicContact CD1-CD1 3.94Å; F1333-F1355 HydrophobicContact CD1-CD2 4.25Å; F1333-F1355 AromaticContact CD1-CG 3.68Å; F1333-F1355 HydrophobicContact CD1-CG 3.68Å; F1333-F1355 HydrophobicContact CE1-CB 4.14Å; F1333-F1355 AromaticContact CE1-CD1 3.53Å; F1333-F1355 HydrophobicContact CE1-CD1 3.53Å; F1333-F1355 HydrophobicContact CE1-CD2 4.38Å; F1333-F1355 AromaticContact CE1-CE1 3.96Å; F1333-F1355 HydrophobicContact CE1-CE1 3.96Å; F1333-F1355 AromaticContact CE1-CG 3.76Å; F1333-F1355 HydrophobicContact CE1-CG 3.76Å; H1351-F1355 AromaticContact CE1-CD2 3.81Å; H1351-F1355 AromaticContact ND1-CD2 3.48Å; H1351-F1355 WeakPolarHBondContact ND1-CD2 3.36Å; H1351-F1355 WeakPolarHBondContact O-CB 3.36Å; H1351-F1355 WeakPolarHBondContact O-CD2 3.23Å; H1351-F1355 PolarHBondContact O-N 3.31Å; L1352-F1355 PolarHBondContact O-N 2.92Å; F1355-S1357 PolarHBondContact O-N 2.93Å; F1355-R1358 PolarHBondContact O-N 3.47Å; F1355-V1359 PolarHBondContact O-N 3.34Å |
| 1356 | W | 87.5 | Confident | 89.1 | Confident | 88 Ų | 88 | 62.2 Ų | 62.2 | 33% | 0.333 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -52.5 | -33.1 | -179.8 | 66.6 | -86.9 | 0 | 0 | 0 | 114.3 | L1352 R1358 V1359 I1361 F1379 K1383 | L1352-W1356 WeakPolarHBondContact O-CA 3.23Å; L1352-W1356 WeakPolarHBondContact O-CB 3.41Å; L1352-W1356 PolarHBondContact O-N 2.88Å; W1356-R1358 PolarHBondContact O-N 3.01Å; W1356-V1359 WeakPolarHBondContact O-CG2 3.46Å; W1356-I1361 HydrophobicContact CE3-CD1 4.41Å; W1356-F1379 HydrophobicContact CB-CE1 3.89Å; W1356-F1379 HydrophobicContact CB-CZ 4.31Å; W1356-F1379 AromaticContact CD1-CZ 4Å; W1356-F1379 HydrophobicContact CG-CE1 4.28Å; W1356-F1379 HydrophobicContact CG-CZ 4.23Å; W1356-K1383 HydrophobicContact CD2-CB 4.11Å; W1356-K1383 HydrophobicContact CD2-CD 4.1Å; W1356-K1383 HydrophobicContact CD2-CG 3.89Å; W1356-K1383 HydrophobicContact CE3-CB 3.7Å; W1356-K1383 HydrophobicContact CE3-CD 4.33Å; W1356-K1383 HydrophobicContact CE3-CG 4.01Å; W1356-K1383 HydrophobicContact CG-CG 4.16Å; W1356-K1383 HydrophobicContact CH2-CD 4.4Å; W1356-K1383 HydrophobicContact CZ2-CD 4.19Å; W1356-K1383 HydrophobicContact CZ3-CB 4.06Å; W1356-K1383 HydrophobicContact CZ3-CD 4.47Å |
| 1357 | S | 87.3 | Confident | 89.2 | Confident | 79 Ų | 79 | 56.3 Ų | 56.3 | 55% | 0.552 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -73.8 | -12.6 | -179.9 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | F1355 | F1355-S1357 PolarHBondContact O-N 2.93Š|
| 1358 | R | 89.3 | Confident | 89.3 | Confident | 95 Ų | 95 | 53.3 Ų | 53.3 | 36% | 0.358 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -112.1 | 8.7 | -178.6 | -61 | -176.1 | 73.7 | 177.7 | 3.6 | 113 | A1328 M1330 F1333 F1355 W1356 | A1328-R1358 PolarHBondContact O-NH2 2.78Å; M1330-R1358 VanDerWaalsContact CA-O 3.27Å; M1330-R1358 WeakPolarHBondContact CA-O 3.45Å; M1330-R1358 VanDerWaalsContact CG-O 3.24Å; M1330-R1358 WeakPolarHBondContact CG-O 3.3Å; F1333-R1358 HydrophobicContact CB-CB 4.49Å; F1333-R1358 WeakPolarHBondContact CB-O 3.13Å; F1333-R1358 HydrophobicContact CD1-CB 4.2Å; F1333-R1358 HydrophobicContact CD2-CB 3.92Å; F1333-R1358 HydrophobicContact CE1-CB 4.49Å; F1333-R1358 HydrophobicContact CE2-CB 4.26Å; F1333-R1358 HydrophobicContact CG-CB 3.93Å; F1333-R1358 VanDerWaalsContact CZ-NH1 3.3Å; F1355-R1358 PolarHBondContact O-N 3.47Å; W1356-R1358 PolarHBondContact O-N 3.01Å |
| 1359 | V | 90.4 | Very high | 89.2 | Confident | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -106.2 | 153.1 | 173.9 | -63.2 | 0 | 0 | 0 | 0 | 111.5 | F1333 L1352 F1355 W1356 I1361 V1364 | F1333-V1359 HydrophobicContact CB-CG1 3.58Å; L1352-V1359 HydrophobicContact CD2-CG2 4.41Å; F1355-V1359 PolarHBondContact O-N 3.34Å; W1356-V1359 WeakPolarHBondContact O-CG2 3.46Å; V1359-I1361 HydrophobicContact CG2-CG1 4.1Å; V1359-I1361 PolarHBondContact O-N 3.07Å; V1359-I1361 VanDerWaalsContact O-N 3.11Å; V1359-V1364 HydrophobicContact CB-CG2 4.06Å; V1359-V1364 HydrophobicContact CG2-CG2 4.33Å |
| 1360 | N | 91.2 | Very high | 89.3 | Confident | 69 Ų | 69 | 62.8 Ų | 62.8 | 37% | 0.369 | 30% | 0.297 | S | S | . | . | trans | -76.8 | 92.8 | 166.4 | -175.7 | -45.1 | 0 | 0 | 0 | 109.1 | M1330 T1334 P1362 K1363 V1364 | M1330-N1360 HydrophobicContact SD-CB 4.12Å; T1334-N1360 HydrophobicContact CG2-CB 3.86Å; T1334-N1360 PolarHBondContact OG1-N 2.86Å; N1360-P1362 WeakPolarHBondContact OD1-CD 3.49Å; N1360-K1363 HydrophobicContact CB-CB 4.25Å; N1360-K1363 PolarHBondContact O-N 3.48Å; N1360-K1363 VanDerWaalsContact O-N 3.08Å; N1360-K1363 PolarHBondContact OD1-N 3.13Å; N1360-V1364 WeakPolarHBondContact O-CG2 3.44Å; N1360-V1364 PolarHBondContact O-N 3.4Å; N1360-V1364 VanDerWaalsContact O-N 3.11Å | ||
| 1361 | I | 90.3 | Very high | 89.2 | Confident | 18 Ų | 18 | 58.2 Ų | 58.2 | 9% | 0.092 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -53.8 | -47.5 | -173 | -62 | 165.8 | 0 | 0 | 0 | 112.7 | W1356 V1359 K1363 V1364 L1365 L1380 Y1384 | W1356-I1361 HydrophobicContact CE3-CD1 4.41Å; V1359-I1361 HydrophobicContact CG2-CG1 4.1Å; V1359-I1361 PolarHBondContact O-N 3.07Å; V1359-I1361 VanDerWaalsContact O-N 3.11Å; I1361-K1363 VanDerWaalsContact C-N 3.28Å; I1361-K1363 PolarHBondContact O-N 2.9Å; I1361-V1364 PolarHBondContact O-N 2.95Å; I1361-V1364 VanDerWaalsContact O-N 3.12Å; I1361-L1365 HydrophobicContact CG2-CD1 3.74Å; I1361-L1365 HydrophobicContact CG2-CG 3.98Å; I1361-L1365 WeakPolarHBondContact O-CB 3.29Å; I1361-L1365 WeakPolarHBondContact O-CG 3.4Å; I1361-L1365 PolarHBondContact O-N 3.45Å; I1361-L1380 HydrophobicContact CG1-CD2 4.43Å; I1361-L1380 HydrophobicContact CG2-CB 4.21Å; I1361-L1380 HydrophobicContact CG2-CD2 4.16Å; I1361-Y1384 HydrophobicContact CB-CD2 4.01Å; I1361-Y1384 HydrophobicContact CB-CE2 4.47Å; I1361-Y1384 HydrophobicContact CB-CG 4.45Å; I1361-Y1384 HydrophobicContact CD1-CD2 3.83Å; I1361-Y1384 HydrophobicContact CG2-CD2 3.98Å; I1361-Y1384 HydrophobicContact CG2-CG 3.91Å |
| 1362 | P | 90.2 | Very high | 89.1 | Confident | 45 Ų | 45 | 63.7 Ų | 63.7 | 29% | 0.292 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.3 | -33 | 177.4 | -28.3 | 35.2 | 0 | 0 | 0 | 115.3 | N1360 R1366 Y1384 | N1360-P1362 WeakPolarHBondContact OD1-CD 3.49Å; P1362-R1366 PolarHBondContact O-NE 3.42Å; P1362-Y1384 HydrophobicContact CG-CE1 4.39Å; P1362-Y1384 HydrophobicContact CG-CE2 4.37Å |
| 1363 | K | 90.5 | Very high | 89.1 | Confident | 88 Ų | 88 | 64.7 Ų | 64.7 | 38% | 0.383 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73.9 | -41.3 | 176.7 | -163.1 | -179.3 | -177.8 | -177.9 | 0 | 110.7 | T1334 E1335 I1338 N1360 I1361 A1367 | T1334-K1363 HydrophobicContact CG2-CB 4.14Å; T1334-K1363 HydrophobicContact CG2-CD 3.89Å; T1334-K1363 HydrophobicContact CG2-CG 4.38Å; E1335-K1363 IonicContact OE1-NZ 2.87Å; E1335-K1363 PolarHBondContact OE1-NZ 3.32Å; I1338-K1363 HydrophobicContact CD1-CD 3.89Å; I1338-K1363 HydrophobicContact CD1-CG 4.02Å; N1360-K1363 HydrophobicContact CB-CB 4.25Å; N1360-K1363 PolarHBondContact O-N 3.48Å; N1360-K1363 VanDerWaalsContact O-N 3.08Å; N1360-K1363 PolarHBondContact OD1-N 3.13Å; I1361-K1363 VanDerWaalsContact C-N 3.28Å; I1361-K1363 PolarHBondContact O-N 2.9Å; K1363-A1367 PolarHBondContact O-N 3.36Å |
| 1364 | V | 92.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.8 | -36.3 | 178.8 | -174 | 0 | 0 | 0 | 0 | 111.9 | T1334 A1337 M1348 L1352 V1359 N1360 I1361 R1366 A1367 A1368 L1380 | T1334-V1364 HydrophobicContact CG2-CG2 3.96Å; A1337-V1364 HydrophobicContact CB-CG1 3.95Å; A1337-V1364 HydrophobicContact CB-CG2 3.94Å; M1348-V1364 HydrophobicContact CE-CG1 3.28Å; L1352-V1364 HydrophobicContact CD2-CG1 4.29Å; V1359-V1364 HydrophobicContact CB-CG2 4.06Å; V1359-V1364 HydrophobicContact CG2-CG2 4.33Å; N1360-V1364 WeakPolarHBondContact O-CG2 3.44Å; N1360-V1364 PolarHBondContact O-N 3.4Å; N1360-V1364 VanDerWaalsContact O-N 3.11Å; I1361-V1364 PolarHBondContact O-N 2.95Å; I1361-V1364 VanDerWaalsContact O-N 3.12Å; V1364-R1366 PolarHBondContact O-N 3.09Å; V1364-A1367 CarbonylContact O-C 3.57Å; V1364-A1367 PolarHBondContact O-N 3.41Å; V1364-A1367 VanDerWaalsContact O-N 3.1Å; V1364-A1368 WeakPolarHBondContact O-CB 3.15Å; V1364-A1368 PolarHBondContact O-N 3.45Å; V1364-L1380 HydrophobicContact CB-CD1 4.15Å; V1364-L1380 HydrophobicContact CG1-CD1 3.68Å |
| 1365 | L | 90.8 | Very high | 89.1 | Confident | 12 Ų | 12 | 57.8 Ų | 57.8 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.1 | -50.5 | 174.7 | -83.5 | 168.7 | 0 | 0 | 0 | 111.4 | I1361 A1367 A1368 E1369 L1377 L1380 Y1381 | I1361-L1365 HydrophobicContact CG2-CD1 3.74Å; I1361-L1365 HydrophobicContact CG2-CG 3.98Å; I1361-L1365 WeakPolarHBondContact O-CB 3.29Å; I1361-L1365 WeakPolarHBondContact O-CG 3.4Å; I1361-L1365 PolarHBondContact O-N 3.45Å; L1365-A1367 VanDerWaalsContact C-N 3.28Å; L1365-A1367 PolarHBondContact O-N 3.26Å; L1365-A1368 PolarHBondContact O-N 2.82Å; L1365-E1369 WeakPolarHBondContact O-CB 3.15Å; L1365-E1369 PolarHBondContact O-N 3.38Å; L1365-L1377 HydrophobicContact CD2-CG 4.22Å; L1365-L1380 HydrophobicContact CD2-CB 3.5Å; L1365-L1380 HydrophobicContact CD2-CD1 4.1Å; L1365-L1380 HydrophobicContact CD2-CG 4.46Å; L1365-L1380 HydrophobicContact CG-CB 4.01Å; L1365-L1380 HydrophobicContact CG-CD1 4.25Å; L1365-Y1381 HydrophobicContact CD1-CD1 3.91Å; L1365-Y1381 HydrophobicContact CD1-CE1 3.73Å; L1365-Y1381 HydrophobicContact CD2-CD1 3.73Å; L1365-Y1381 HydrophobicContact CD2-CD2 4.38Å; L1365-Y1381 HydrophobicContact CD2-CE1 3.65Å; L1365-Y1381 HydrophobicContact CD2-CE2 4.33Å; L1365-Y1381 HydrophobicContact CD2-CG 4.09Å; L1365-Y1381 HydrophobicContact CG-CE1 4.3Å |
| 1366 | R | 89.9 | Confident | 89.1 | Confident | 160 Ų | 160 | 56.4 Ų | 56.4 | 60% | 0.604 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -59.6 | -38.1 | 175.9 | -77.4 | -176 | -89.5 | 175.1 | -10.8 | 112.6 | P1362 V1364 Q1370 | P1362-R1366 PolarHBondContact O-NE 3.42Å; V1364-R1366 PolarHBondContact O-N 3.09Å; R1366-Q1370 WeakPolarHBondContact O-CB 3.45Å; R1366-Q1370 VanDerWaalsContact O-CG 3.23Å; R1366-Q1370 WeakPolarHBondContact O-CG 3.2Å; R1366-Q1370 PolarHBondContact O-N 3.2Å |
| 1367 | A | 88.9 | Confident | 89.2 | Confident | 10 Ų | 10 | 52.4 Ų | 52.4 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.8 | -38.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1338 K1363 V1364 L1365 A1371 | I1338-A1367 HydrophobicContact CG1-CB 3.92Å; I1338-A1367 HydrophobicContact CG2-CB 4.45Å; K1363-A1367 PolarHBondContact O-N 3.36Å; V1364-A1367 CarbonylContact O-C 3.57Å; V1364-A1367 PolarHBondContact O-N 3.41Å; V1364-A1367 VanDerWaalsContact O-N 3.1Å; L1365-A1367 VanDerWaalsContact C-N 3.28Å; L1365-A1367 PolarHBondContact O-N 3.26Å; A1367-A1371 VanDerWaalsContact O-CB 3.29Å; A1367-A1371 WeakPolarHBondContact O-CB 3.46Å; A1367-A1371 PolarHBondContact O-N 3.35Å; A1367-A1371 VanDerWaalsContact O-N 3.12Å |
| 1368 | A | 89.7 | Confident | 89.3 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.9 | -39.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1364 L1365 A1371 H1372 L1373 L1377 | V1364-A1368 WeakPolarHBondContact O-CB 3.15Å; V1364-A1368 PolarHBondContact O-N 3.45Å; L1365-A1368 PolarHBondContact O-N 2.82Å; A1368-A1371 CarbonylContact O-C 3.57Å; A1368-A1371 PolarHBondContact O-N 3.35Å; A1368-H1372 PolarHBondContact O-N 2.97Å; A1368-H1372 VanDerWaalsContact O-N 3.08Å; A1368-L1373 HydrophobicContact CB-CB 4.32Å; A1368-L1373 PolarHBondContact O-N 2.83Å; A1368-L1377 HydrophobicContact CB-CB 4.26Å |
| 1369 | E | 87.1 | Confident | 89.3 | Confident | 97 Ų | 97 | 45.1 Ų | 45.1 | 45% | 0.453 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.4 | -47.3 | 175.9 | -170.3 | 179.6 | -167.1 | 0 | 0 | 111.5 | L1365 A1371 H1372 W1374 L1377 | L1365-E1369 WeakPolarHBondContact O-CB 3.15Å; L1365-E1369 PolarHBondContact O-N 3.38Å; E1369-A1371 PolarHBondContact O-N 3.11Å; E1369-H1372 PolarHBondContact O-N 3.35Å; E1369-H1372 VanDerWaalsContact O-N 3.12Å; E1369-W1374 HydrophobicContact CG-CZ3 4.4Å; E1369-L1377 HydrophobicContact CB-CD1 3.61Å; E1369-L1377 HydrophobicContact CG-CD1 4.12Å |
| 1370 | Q | 87.7 | Confident | 89.3 | Confident | 151 Ų | 151 | 44.8 Ų | 44.8 | 71% | 0.706 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -63 | -29.2 | 175.5 | -74.6 | 176 | 4.9 | 0 | 0 | 113.2 | R1366 | R1366-Q1370 WeakPolarHBondContact O-CB 3.45Å; R1366-Q1370 VanDerWaalsContact O-CG 3.23Å; R1366-Q1370 WeakPolarHBondContact O-CG 3.2Å; R1366-Q1370 PolarHBondContact O-N 3.2Å |
| 1371 | A | 86.9 | Confident | 89.3 | Confident | 34 Ų | 34 | 42.9 Ų | 42.9 | 28% | 0.281 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 2.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1341 A1367 A1368 E1369 L1373 | S1341-A1371 VanDerWaalsContact O-CB 3.31Å; S1341-A1371 WeakPolarHBondContact O-CB 3.49Å; A1367-A1371 VanDerWaalsContact O-CB 3.29Å; A1367-A1371 WeakPolarHBondContact O-CB 3.46Å; A1367-A1371 PolarHBondContact O-N 3.35Å; A1367-A1371 VanDerWaalsContact O-N 3.12Å; A1368-A1371 CarbonylContact O-C 3.57Å; A1368-A1371 PolarHBondContact O-N 3.35Å; E1369-A1371 PolarHBondContact O-N 3.11Å; A1371-L1373 VanDerWaalsContact C-N 3.28Å; A1371-L1373 HydrophobicContact CB-CD1 4.07Å; A1371-L1373 HydrophobicContact CB-CG 3.92Å; A1371-L1373 PolarHBondContact O-N 2.91Å |
| 1372 | H | 88.1 | Confident | 89.2 | Confident | 123 Ų | 123 | 43.5 Ų | 43.5 | 57% | 0.569 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 36.2 | -176 | -56.2 | -52.8 | 0 | 0 | 0 | 114.2 | A1368 E1369 W1374 | A1368-H1372 PolarHBondContact O-N 2.97Å; A1368-H1372 VanDerWaalsContact O-N 3.08Å; E1369-H1372 PolarHBondContact O-N 3.35Å; E1369-H1372 VanDerWaalsContact O-N 3.12Å; H1372-W1374 HydrophobicContact CB-CZ2 4.21Å; H1372-W1374 AromaticContact ND1-CZ2 3.46Å; H1372-W1374 WeakPolarHBondContact ND1-CZ2 3.33Å; H1372-W1374 PolarHBondContact O-N 3.27Å |
| 1373 | L | 89 | Confident | 89.1 | Confident | 22 Ų | 22 | 45.4 Ų | 45.4 | 12% | 0.115 | 21% | 0.212 | C | C | . | . | trans | -92.4 | 73.4 | 178.9 | -61.1 | 179 | 0 | 0 | 0 | 111.1 | P1345 M1348 A1368 A1371 S1375 E1376 L1377 | P1345-L1373 HydrophobicContact CB-CD1 4.2Å; P1345-L1373 HydrophobicContact CB-CD2 3.68Å; M1348-L1373 HydrophobicContact CB-CD1 4.29Å; M1348-L1373 HydrophobicContact CG-CD1 4.05Å; A1368-L1373 HydrophobicContact CB-CB 4.32Å; A1368-L1373 PolarHBondContact O-N 2.83Å; A1371-L1373 VanDerWaalsContact C-N 3.28Å; A1371-L1373 HydrophobicContact CB-CD1 4.07Å; A1371-L1373 HydrophobicContact CB-CG 3.92Å; A1371-L1373 PolarHBondContact O-N 2.91Å; L1373-S1375 PolarHBondContact O-N 3.43Å; L1373-E1376 HydrophobicContact CB-CB 4.18Å; L1373-E1376 HydrophobicContact CB-CG 4.45Å; L1373-E1376 PolarHBondContact O-N 3.01Å; L1373-L1377 WeakPolarHBondContact O-CB 3.38Å; L1373-L1377 PolarHBondContact O-N 3.41Å | ||
| 1374 | W | 89.6 | Confident | 89.1 | Confident | 40 Ų | 40 | 46.2 Ų | 46.2 | 15% | 0.152 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.8 | -33.5 | -168.9 | -54.5 | 113.6 | 0 | 0 | 0 | 113.9 | E1369 H1372 L1377 V1378 H1397 E1400 A1401 | E1369-W1374 HydrophobicContact CG-CZ3 4.4Å; H1372-W1374 HydrophobicContact CB-CZ2 4.21Å; H1372-W1374 AromaticContact ND1-CZ2 3.46Å; H1372-W1374 WeakPolarHBondContact ND1-CZ2 3.33Å; H1372-W1374 PolarHBondContact O-N 3.27Å; W1374-L1377 HydrophobicContact CE3-CD1 4.24Å; W1374-L1377 HydrophobicContact CE3-CD2 4.27Å; W1374-L1377 HydrophobicContact CZ3-CD1 4.22Å; W1374-V1378 WeakPolarHBondContact O-CB 3.48Å; W1374-V1378 WeakPolarHBondContact O-CG2 3.42Å; W1374-V1378 PolarHBondContact O-N 3.39Å; W1374-H1397 HydrophobicContact CB-CB 3.97Å; W1374-H1397 AromaticContact CD1-CG 3.72Å; W1374-H1397 AromaticContact CD1-ND1 3.78Å; W1374-H1397 HydrophobicContact CD2-CB 4.33Å; W1374-H1397 AromaticContact CD2-CD2 3.43Å; W1374-H1397 VanDerWaalsContact CD2-CD2 3.43Å; W1374-H1397 AromaticContact CD2-CE1 3.98Å; W1374-H1397 AromaticContact CD2-CG 3.64Å; W1374-H1397 AromaticContact CD2-ND1 3.98Å; W1374-H1397 AromaticContact CD2-NE2 3.69Å; W1374-H1397 AromaticContact CE2-CD2 3.74Å; W1374-H1397 AromaticContact CE2-CE1 3.43Å; W1374-H1397 VanDerWaalsContact CE2-CE1 3.43Å; W1374-H1397 AromaticContact CE2-CG 3.81Å; W1374-H1397 AromaticContact CE2-ND1 3.63Å; W1374-H1397 AromaticContact CE2-NE2 3.52Å; W1374-H1397 AromaticContact CE3-CD2 3.59Å; W1374-H1397 AromaticContact CE3-NE2 3.79Å; W1374-H1397 HydrophobicContact CG-CB 3.8Å; W1374-H1397 AromaticContact CG-CD2 3.85Å; W1374-H1397 AromaticContact CG-CG 3.6Å; W1374-H1397 AromaticContact CH2-NE2 3.62Å; W1374-H1397 AromaticContact CZ2-CE1 3.49Å; W1374-H1397 VanDerWaalsContact CZ2-CE1 3.49Å; W1374-H1397 WeakPolarHBondContact CZ2-CE1 3.14Å; W1374-H1397 AromaticContact CZ2-NE2 3.5Å; W1374-H1397 WeakPolarHBondContact CZ2-NE2 3.05Å; W1374-H1397 AromaticContact CZ3-NE2 3.77Å; W1374-H1397 AromaticContact NE1-CE1 3.72Å; W1374-H1397 AromaticContact NE1-CG 3.84Å; W1374-H1397 AromaticContact NE1-ND1 3.49Å; W1374-H1397 PolarHBondContact NE1-ND1 3.44Å; W1374-E1400 VanDerWaalsContact CD1-OE2 3.3Å; W1374-A1401 HydrophobicContact CB-CB 4.02Å |
| 1375 | S | 86.4 | Confident | 88.9 | Confident | 25 Ų | 25 | 53.2 Ų | 53.2 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.7 | -38.4 | -179.3 | 92.2 | 0 | 0 | 0 | 0 | 112.1 | R1349 L1373 F1379 E1400 | R1349-S1375 PolarHBondContact NH1-O 3.19Å; L1373-S1375 PolarHBondContact O-N 3.43Å; S1375-F1379 PolarHBondContact O-N 3.18Å; S1375-E1400 WeakPolarHBondContact CB-O 3.31Å |
| 1376 | E | 88.6 | Confident | 88.8 | Confident | 22 Ų | 22 | 55.9 Ų | 55.9 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.2 | -41.9 | 176.9 | -69.8 | 71.9 | -164 | 0 | 0 | 110.5 | M1348 R1349 L1352 L1373 F1379 L1380 | M1348-E1376 HydrophobicContact CB-CG 4.32Å; M1348-E1376 HydrophobicContact CG-CG 3.99Å; R1349-E1376 HydrophobicContact CB-CG 4.37Å; L1352-E1376 HydrophobicContact CD1-CB 3.88Å; L1352-E1376 HydrophobicContact CD1-CG 4.27Å; L1373-E1376 HydrophobicContact CB-CB 4.18Å; L1373-E1376 HydrophobicContact CB-CG 4.45Å; L1373-E1376 PolarHBondContact O-N 3.01Å; E1376-F1379 WeakPolarHBondContact O-CB 3.18Å; E1376-F1379 PolarHBondContact O-N 3.27Å; E1376-L1380 WeakPolarHBondContact O-CG 3.43Å; E1376-L1380 PolarHBondContact O-N 3.31Å |
| 1377 | L | 89.4 | Confident | 88.8 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 176.4 | 177 | 145.9 | 0 | 0 | 0 | 111.7 | L1365 A1368 E1369 L1373 W1374 F1379 L1380 Y1381 A1393 | L1365-L1377 HydrophobicContact CD2-CG 4.22Å; A1368-L1377 HydrophobicContact CB-CB 4.26Å; E1369-L1377 HydrophobicContact CB-CD1 3.61Å; E1369-L1377 HydrophobicContact CG-CD1 4.12Å; L1373-L1377 WeakPolarHBondContact O-CB 3.38Å; L1373-L1377 PolarHBondContact O-N 3.41Å; W1374-L1377 HydrophobicContact CE3-CD1 4.24Å; W1374-L1377 HydrophobicContact CE3-CD2 4.27Å; W1374-L1377 HydrophobicContact CZ3-CD1 4.22Å; L1377-F1379 VanDerWaalsContact C-N 3.34Å; L1377-F1379 PolarHBondContact O-N 3.48Å; L1377-L1380 PolarHBondContact O-N 3Å; L1377-Y1381 HydrophobicContact CD2-CD2 3.62Å; L1377-Y1381 HydrophobicContact CD2-CE2 3.27Å; L1377-Y1381 HydrophobicContact CG-CD2 4.2Å; L1377-Y1381 HydrophobicContact CG-CE2 3.83Å; L1377-Y1381 WeakPolarHBondContact O-CD2 3.35Å; L1377-Y1381 PolarHBondContact O-N 3.34Å; L1377-A1393 HydrophobicContact CD2-CB 3.69Å |
| 1378 | V | 89.4 | Confident | 88.9 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | 172.8 | 163 | 0 | 0 | 0 | 0 | 112.2 | W1374 L1380 Y1381 D1382 A1393 M1394 A1401 | W1374-V1378 WeakPolarHBondContact O-CB 3.48Å; W1374-V1378 WeakPolarHBondContact O-CG2 3.42Å; W1374-V1378 PolarHBondContact O-N 3.39Å; V1378-L1380 VanDerWaalsContact C-N 3.32Å; V1378-L1380 PolarHBondContact O-N 3.41Å; V1378-Y1381 PolarHBondContact O-N 2.8Å; V1378-D1382 WeakPolarHBondContact O-CB 3.16Å; V1378-D1382 PolarHBondContact O-N 3.18Å; V1378-A1393 HydrophobicContact CG2-CB 3.75Å; V1378-M1394 HydrophobicContact CB-CG 4.43Å; V1378-M1394 HydrophobicContact CG1-CE 3.17Å; V1378-M1394 HydrophobicContact CG1-CG 3.77Å; V1378-M1394 HydrophobicContact CG1-SD 4.24Å; V1378-M1394 HydrophobicContact CG2-CG 3.75Å; V1378-A1401 HydrophobicContact CG2-CB 3.86Å |
| 1379 | F | 88.9 | Confident | 88.9 | Confident | 18 Ų | 18 | 55.3 Ų | 55.3 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 174.6 | 171.4 | -91.3 | 0 | 0 | 0 | 112 | L1352 E1353 W1356 S1375 E1376 L1377 D1382 K1383 | L1352-F1379 HydrophobicContact CB-CD1 3.95Å; L1352-F1379 HydrophobicContact CB-CE1 3.74Å; L1352-F1379 HydrophobicContact CD1-CD1 4.36Å; E1353-F1379 HydrophobicContact CG-CE2 4.1Å; E1353-F1379 HydrophobicContact CG-CZ 4.16Å; W1356-F1379 HydrophobicContact CB-CE1 3.89Å; W1356-F1379 HydrophobicContact CB-CZ 4.31Å; W1356-F1379 AromaticContact CD1-CZ 4Å; W1356-F1379 HydrophobicContact CG-CE1 4.28Å; W1356-F1379 HydrophobicContact CG-CZ 4.23Å; S1375-F1379 PolarHBondContact O-N 3.18Å; E1376-F1379 WeakPolarHBondContact O-CB 3.18Å; E1376-F1379 PolarHBondContact O-N 3.27Å; L1377-F1379 VanDerWaalsContact C-N 3.34Å; L1377-F1379 PolarHBondContact O-N 3.48Å; F1379-D1382 PolarHBondContact O-N 3.03Å; F1379-K1383 HydrophobicContact CE1-CG 4.09Å; F1379-K1383 HydrophobicContact CE2-CG 4.24Å; F1379-K1383 HydrophobicContact CZ-CG 3.95Å; F1379-K1383 WeakPolarHBondContact O-CG 3.19Å; F1379-K1383 PolarHBondContact O-N 3.03Å |
| 1380 | L | 90.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.9 | -44.3 | 176.4 | -72.9 | 172.2 | 0 | 0 | 0 | 112.2 | L1352 I1361 V1364 L1365 E1376 L1377 V1378 D1382 K1383 Y1384 | L1352-L1380 HydrophobicContact CD1-CD1 3.99Å; L1352-L1380 HydrophobicContact CD1-CD2 4.05Å; L1352-L1380 HydrophobicContact CD1-CG 3.86Å; L1352-L1380 HydrophobicContact CD2-CD2 3.73Å; L1352-L1380 HydrophobicContact CD2-CG 4.43Å; L1352-L1380 HydrophobicContact CG-CD2 4.46Å; I1361-L1380 HydrophobicContact CG1-CD2 4.43Å; I1361-L1380 HydrophobicContact CG2-CB 4.21Å; I1361-L1380 HydrophobicContact CG2-CD2 4.16Å; V1364-L1380 HydrophobicContact CB-CD1 4.15Å; V1364-L1380 HydrophobicContact CG1-CD1 3.68Å; L1365-L1380 HydrophobicContact CD2-CB 3.5Å; L1365-L1380 HydrophobicContact CD2-CD1 4.1Å; L1365-L1380 HydrophobicContact CD2-CG 4.46Å; L1365-L1380 HydrophobicContact CG-CB 4.01Å; L1365-L1380 HydrophobicContact CG-CD1 4.25Å; E1376-L1380 WeakPolarHBondContact O-CG 3.43Å; E1376-L1380 PolarHBondContact O-N 3.31Å; L1377-L1380 PolarHBondContact O-N 3Å; V1378-L1380 VanDerWaalsContact C-N 3.32Å; V1378-L1380 PolarHBondContact O-N 3.41Å; L1380-D1382 VanDerWaalsContact C-N 3.34Å; L1380-D1382 PolarHBondContact O-N 2.97Å; L1380-K1383 PolarHBondContact O-N 3.12Å; L1380-Y1384 VanDerWaalsContact O-CB 3.28Å; L1380-Y1384 WeakPolarHBondContact O-CB 3.45Å; L1380-Y1384 PolarHBondContact O-N 3.16Å |
| 1381 | Y | 91.4 | Very high | 89.3 | Confident | 30 Ų | 30 | 43.5 Ų | 43.5 | 12% | 0.118 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 176.7 | -76.1 | -45.2 | 0 | 0 | 0 | 112.6 | L1365 L1377 V1378 K1383 Y1384 E1385 E1386 N1389 | L1365-Y1381 HydrophobicContact CD1-CD1 3.91Å; L1365-Y1381 HydrophobicContact CD1-CE1 3.73Å; L1365-Y1381 HydrophobicContact CD2-CD1 3.73Å; L1365-Y1381 HydrophobicContact CD2-CD2 4.38Å; L1365-Y1381 HydrophobicContact CD2-CE1 3.65Å; L1365-Y1381 HydrophobicContact CD2-CE2 4.33Å; L1365-Y1381 HydrophobicContact CD2-CG 4.09Å; L1365-Y1381 HydrophobicContact CG-CE1 4.3Å; L1377-Y1381 HydrophobicContact CD2-CD2 3.62Å; L1377-Y1381 HydrophobicContact CD2-CE2 3.27Å; L1377-Y1381 HydrophobicContact CG-CD2 4.2Å; L1377-Y1381 HydrophobicContact CG-CE2 3.83Å; L1377-Y1381 WeakPolarHBondContact O-CD2 3.35Å; L1377-Y1381 PolarHBondContact O-N 3.34Å; V1378-Y1381 PolarHBondContact O-N 2.8Å; Y1381-K1383 PolarHBondContact O-N 3.31Å; Y1381-Y1384 CarbonylContact O-C 3.59Å; Y1381-Y1384 PolarHBondContact O-N 3.12Å; Y1381-E1385 PolarHBondContact O-N 3.13Å; Y1381-E1386 HydrophobicContact CD1-CB 3.85Å; Y1381-E1386 WeakPolarHBondContact CD1-OE2 3.45Å; Y1381-E1386 VanDerWaalsContact CE1-OE2 3.26Å; Y1381-E1386 WeakPolarHBondContact CE1-OE2 3.28Å; Y1381-E1386 PolarHBondContact O-N 3.24Å; Y1381-N1389 HydrophobicContact CD1-CB 3.83Å; Y1381-N1389 HydrophobicContact CD2-CB 3.86Å; Y1381-N1389 HydrophobicContact CE1-CB 3.67Å; Y1381-N1389 HydrophobicContact CE2-CB 3.66Å; Y1381-N1389 HydrophobicContact CG-CB 3.95Å |
| 1382 | D | 88.2 | Confident | 89.5 | Confident | 31 Ų | 31 | 43.9 Ų | 43.9 | 17% | 0.166 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.5 | -43.1 | 175.9 | -173.3 | 32.2 | 0 | 0 | 0 | 111.5 | V1378 F1379 L1380 Y1384 E1385 Y1387 H1406 | V1378-D1382 WeakPolarHBondContact O-CB 3.16Å; V1378-D1382 PolarHBondContact O-N 3.18Å; F1379-D1382 PolarHBondContact O-N 3.03Å; L1380-D1382 VanDerWaalsContact C-N 3.34Å; L1380-D1382 PolarHBondContact O-N 2.97Å; D1382-Y1384 VanDerWaalsContact C-N 3.32Å; D1382-Y1384 PolarHBondContact O-N 3.26Å; D1382-E1385 PolarHBondContact O-N 3.04Å; D1382-Y1387 WeakPolarHBondContact OD1-CE1 3.48Å; D1382-H1406 IonicContact OD2-CD2 4Å; D1382-H1406 IonicContact OD2-CE1 2.73Å; D1382-H1406 IonicContact OD2-NE2 3.76Å; D1382-H1406 PolarHBondContact OD2-NE2 3.03Å |
| 1383 | K | 88.6 | Confident | 89.5 | Confident | 84 Ų | 84 | 38.4 Ų | 38.4 | 37% | 0.365 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -72.3 | -22.7 | 175.5 | -65.3 | -52.9 | -179.7 | -162.5 | 0 | 114.5 | W1356 F1379 L1380 Y1381 E1385 | W1356-K1383 HydrophobicContact CD2-CB 4.11Å; W1356-K1383 HydrophobicContact CD2-CD 4.1Å; W1356-K1383 HydrophobicContact CD2-CG 3.89Å; W1356-K1383 HydrophobicContact CE3-CB 3.7Å; W1356-K1383 HydrophobicContact CE3-CD 4.33Å; W1356-K1383 HydrophobicContact CE3-CG 4.01Å; W1356-K1383 HydrophobicContact CG-CG 4.16Å; W1356-K1383 HydrophobicContact CH2-CD 4.4Å; W1356-K1383 HydrophobicContact CZ2-CD 4.19Å; W1356-K1383 HydrophobicContact CZ3-CB 4.06Å; W1356-K1383 HydrophobicContact CZ3-CD 4.47Å; F1379-K1383 HydrophobicContact CE1-CG 4.09Å; F1379-K1383 HydrophobicContact CE2-CG 4.24Å; F1379-K1383 HydrophobicContact CZ-CG 3.95Å; F1379-K1383 WeakPolarHBondContact O-CG 3.19Å; F1379-K1383 PolarHBondContact O-N 3.03Å; L1380-K1383 PolarHBondContact O-N 3.12Å; Y1381-K1383 PolarHBondContact O-N 3.31Å; K1383-E1385 VanDerWaalsContact C-N 3.35Å |
| 1384 | Y | 89.8 | Confident | 89.6 | Confident | 106 Ų | 106 | 37.3 Ų | 37.3 | 42% | 0.416 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 4.8 | 176.1 | -157.8 | -120.8 | 0 | 0 | 0 | 112.9 | I1361 P1362 L1380 Y1381 D1382 E1386 | I1361-Y1384 HydrophobicContact CB-CD2 4.01Å; I1361-Y1384 HydrophobicContact CB-CE2 4.47Å; I1361-Y1384 HydrophobicContact CB-CG 4.45Å; I1361-Y1384 HydrophobicContact CD1-CD2 3.83Å; I1361-Y1384 HydrophobicContact CG2-CD2 3.98Å; I1361-Y1384 HydrophobicContact CG2-CG 3.91Å; P1362-Y1384 HydrophobicContact CG-CE1 4.39Å; P1362-Y1384 HydrophobicContact CG-CE2 4.37Å; L1380-Y1384 VanDerWaalsContact O-CB 3.28Å; L1380-Y1384 WeakPolarHBondContact O-CB 3.45Å; L1380-Y1384 PolarHBondContact O-N 3.16Å; Y1381-Y1384 CarbonylContact O-C 3.59Å; Y1381-Y1384 PolarHBondContact O-N 3.12Å; D1382-Y1384 VanDerWaalsContact C-N 3.32Å; D1382-Y1384 PolarHBondContact O-N 3.26Å; Y1384-E1386 HydrophobicContact CD1-CG 3.77Å; Y1384-E1386 WeakPolarHBondContact CD1-OE1 3.5Å; Y1384-E1386 HydrophobicContact CE1-CG 4.36Å; Y1384-E1386 VanDerWaalsContact CE1-OE1 3.29Å; Y1384-E1386 WeakPolarHBondContact CE1-OE1 3.28Å; Y1384-E1386 PolarHBondContact O-N 3.5Å; Y1384-E1386 VanDerWaalsContact O-N 3.16Å |
| 1385 | E | 87.5 | Confident | 89.6 | Confident | 146 Ų | 146 | 36.7 Ų | 36.7 | 68% | 0.682 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 18.5 | -179.6 | -52.6 | -174.7 | 158.7 | 0 | 0 | 114.5 | Y1381 D1382 K1383 Y1387 | Y1381-E1385 PolarHBondContact O-N 3.13Å; D1382-E1385 PolarHBondContact O-N 3.04Å; K1383-E1385 VanDerWaalsContact C-N 3.35Å; E1385-Y1387 VanDerWaalsContact C-N 3.25Å; E1385-Y1387 HydrophobicContact CB-CE2 3.92Å; E1385-Y1387 HydrophobicContact CG-CE2 4.47Å; E1385-Y1387 WeakPolarHBondContact O-CD2 3.23Å; E1385-Y1387 PolarHBondContact O-N 3.2Å; E1385-Y1387 VanDerWaalsContact O-N 3.11Å |
| 1386 | E | 88.6 | Confident | 89.7 | Confident | 69 Ų | 69 | 41.6 Ų | 41.6 | 32% | 0.322 | 20% | 0.196 | S | C | . | . | trans | -87.7 | 61.4 | 173.2 | -74.2 | -171.4 | -173.3 | 0 | 0 | 110.6 | Y1381 Y1384 D1388 N1389 A1390 | Y1381-E1386 HydrophobicContact CD1-CB 3.85Å; Y1381-E1386 WeakPolarHBondContact CD1-OE2 3.45Å; Y1381-E1386 VanDerWaalsContact CE1-OE2 3.26Å; Y1381-E1386 WeakPolarHBondContact CE1-OE2 3.28Å; Y1381-E1386 PolarHBondContact O-N 3.24Å; Y1384-E1386 HydrophobicContact CD1-CG 3.77Å; Y1384-E1386 WeakPolarHBondContact CD1-OE1 3.5Å; Y1384-E1386 HydrophobicContact CE1-CG 4.36Å; Y1384-E1386 VanDerWaalsContact CE1-OE1 3.29Å; Y1384-E1386 WeakPolarHBondContact CE1-OE1 3.28Å; Y1384-E1386 PolarHBondContact O-N 3.5Å; Y1384-E1386 VanDerWaalsContact O-N 3.16Å; E1386-D1388 PolarHBondContact O-N 3.37Å; E1386-N1389 HydrophobicContact CB-CB 4.37Å; E1386-N1389 PolarHBondContact O-N 3.06Å; E1386-N1389 VanDerWaalsContact O-N 3.14Å; E1386-N1389 PolarHBondContact OE2-ND2 3.09Å; E1386-A1390 PolarHBondContact O-N 3.44Å | ||
| 1387 | Y | 91.1 | Very high | 89.6 | Confident | 41 Ų | 41 | 42.9 Ų | 42.9 | 16% | 0.161 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.7 | -32.5 | -174.4 | -56.7 | -67.7 | 0 | 0 | 0 | 113.5 | D1382 E1385 A1390 A1391 V1410 K1413 | D1382-Y1387 WeakPolarHBondContact OD1-CE1 3.48Å; E1385-Y1387 VanDerWaalsContact C-N 3.25Å; E1385-Y1387 HydrophobicContact CB-CE2 3.92Å; E1385-Y1387 HydrophobicContact CG-CE2 4.47Å; E1385-Y1387 WeakPolarHBondContact O-CD2 3.23Å; E1385-Y1387 PolarHBondContact O-N 3.2Å; E1385-Y1387 VanDerWaalsContact O-N 3.11Å; Y1387-A1390 PolarHBondContact O-N 3.29Å; Y1387-A1391 WeakPolarHBondContact O-CB 3.47Å; Y1387-A1391 PolarHBondContact O-N 3.34Å; Y1387-V1410 HydrophobicContact CD1-CG1 4.25Å; Y1387-V1410 HydrophobicContact CD1-CG2 4.5Å; Y1387-K1413 HydrophobicContact CD1-CB 4.21Å; Y1387-K1413 HydrophobicContact CD1-CD 4.21Å; Y1387-K1413 HydrophobicContact CD2-CB 3.69Å; Y1387-K1413 HydrophobicContact CD2-CD 4.46Å; Y1387-K1413 HydrophobicContact CE1-CB 4.43Å; Y1387-K1413 HydrophobicContact CE1-CD 3.71Å; Y1387-K1413 HydrophobicContact CE2-CB 3.96Å; Y1387-K1413 HydrophobicContact CE2-CD 4.01Å; Y1387-K1413 HydrophobicContact CG-CB 3.83Å |
| 1388 | D | 90.9 | Very high | 89.3 | Confident | 45 Ų | 45 | 44.1 Ų | 44.1 | 24% | 0.241 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.5 | -46.8 | 176.9 | -73 | 25.8 | 0 | 0 | 0 | 110.8 | E1386 A1391 V1392 V1414 A1415 N1416 L1419 | E1386-D1388 PolarHBondContact O-N 3.37Å; D1388-A1391 PolarHBondContact O-N 3.37Å; D1388-V1392 VanDerWaalsContact O-CG2 3.29Å; D1388-V1392 WeakPolarHBondContact O-CG2 3.24Å; D1388-V1392 PolarHBondContact O-N 2.69Å; D1388-V1414 VanDerWaalsContact OD1-CA 3.27Å; D1388-V1414 WeakPolarHBondContact OD1-CA 3.4Å; D1388-V1414 WeakPolarHBondContact OD1-CB 3.46Å; D1388-A1415 PolarHBondContact OD1-N 3.26Å; D1388-N1416 VanDerWaalsContact OD2-CB 3.26Å; D1388-N1416 WeakPolarHBondContact OD2-CB 3.32Å; D1388-N1416 PolarHBondContact OD2-N 3.43Å; D1388-L1419 HydrophobicContact CB-CD1 3.78Å |
| 1389 | N | 90 | Very high | 88.9 | Confident | 71 Ų | 71 | 49.3 Ų | 49.3 | 38% | 0.38 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70.1 | -38.9 | 178.4 | -67.5 | -25.9 | 0 | 0 | 0 | 111.4 | Y1381 E1386 V1392 A1393 | Y1381-N1389 HydrophobicContact CD1-CB 3.83Å; Y1381-N1389 HydrophobicContact CD2-CB 3.86Å; Y1381-N1389 HydrophobicContact CE1-CB 3.67Å; Y1381-N1389 HydrophobicContact CE2-CB 3.66Å; Y1381-N1389 HydrophobicContact CG-CB 3.95Å; E1386-N1389 HydrophobicContact CB-CB 4.37Å; E1386-N1389 PolarHBondContact O-N 3.06Å; E1386-N1389 VanDerWaalsContact O-N 3.14Å; E1386-N1389 PolarHBondContact OE2-ND2 3.09Å; N1389-V1392 PolarHBondContact O-N 2.59Å; N1389-A1393 WeakPolarHBondContact O-CB 3.45Å; N1389-A1393 PolarHBondContact O-N 2.84Å |
| 1390 | A | 90.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.3 | -48.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1386 Y1387 A1393 M1394 V1410 | E1386-A1390 PolarHBondContact O-N 3.44Å; Y1387-A1390 PolarHBondContact O-N 3.29Å; A1390-A1393 PolarHBondContact O-N 3.13Å; A1390-M1394 WeakPolarHBondContact O-CB 3.35Å; A1390-M1394 VanDerWaalsContact O-CG 3.29Å; A1390-M1394 WeakPolarHBondContact O-CG 3.28Å; A1390-M1394 PolarHBondContact O-N 2.87Å; A1390-V1410 HydrophobicContact CB-CG1 3.85Å |
| 1391 | A | 90.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -43 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1387 D1388 M1394 M1395 F1407 V1410 I1411 V1414 | Y1387-A1391 WeakPolarHBondContact O-CB 3.47Å; Y1387-A1391 PolarHBondContact O-N 3.34Å; D1388-A1391 PolarHBondContact O-N 3.37Å; A1391-M1394 PolarHBondContact O-N 3.33Å; A1391-M1395 HydrophobicContact CB-CE 4.46Å; A1391-M1395 WeakPolarHBondContact O-CE 3.31Å; A1391-M1395 WeakPolarHBondContact O-CG 3.42Å; A1391-M1395 PolarHBondContact O-N 3.02Å; A1391-F1407 HydrophobicContact CB-CE2 4.42Å; A1391-V1410 HydrophobicContact CB-CG1 4.21Å; A1391-I1411 HydrophobicContact CB-CD1 4.12Å; A1391-V1414 HydrophobicContact CB-CG1 4.1Å |
| 1392 | V | 91.3 | Very high | 87.9 | Confident | 43 Ų | 43 | 53.9 Ų | 53.9 | 26% | 0.261 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 176.4 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | D1388 N1389 M1394 M1395 Q1396 L1419 | D1388-V1392 VanDerWaalsContact O-CG2 3.29Å; D1388-V1392 WeakPolarHBondContact O-CG2 3.24Å; D1388-V1392 PolarHBondContact O-N 2.69Å; N1389-V1392 PolarHBondContact O-N 2.59Å; V1392-M1394 PolarHBondContact O-N 3.44Å; V1392-M1395 HydrophobicContact CG2-CE 4.4Å; V1392-M1395 PolarHBondContact O-N 3.33Å; V1392-Q1396 HydrophobicContact CG1-CG 4.34Å; V1392-Q1396 WeakPolarHBondContact O-CG 3.32Å; V1392-Q1396 PolarHBondContact O-N 2.94Å; V1392-L1419 HydrophobicContact CG2-CD2 3.59Å |
| 1393 | A | 88.7 | Confident | 87.7 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1377 V1378 N1389 A1390 M1395 Q1396 H1397 | L1377-A1393 HydrophobicContact CD2-CB 3.69Å; V1378-A1393 HydrophobicContact CG2-CB 3.75Å; N1389-A1393 WeakPolarHBondContact O-CB 3.45Å; N1389-A1393 PolarHBondContact O-N 2.84Å; A1390-A1393 PolarHBondContact O-N 3.13Å; A1393-M1395 VanDerWaalsContact C-N 3.32Å; A1393-M1395 PolarHBondContact O-N 3.46Å; A1393-Q1396 PolarHBondContact O-N 3.14Å; A1393-H1397 PolarHBondContact O-N 2.92Å |
| 1394 | M | 90.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 174.4 | -71.6 | -175.8 | -173.2 | 0 | 0 | 112.3 | V1378 A1390 A1391 V1392 H1406 F1407 V1410 | V1378-M1394 HydrophobicContact CB-CG 4.43Å; V1378-M1394 HydrophobicContact CG1-CE 3.17Å; V1378-M1394 HydrophobicContact CG1-CG 3.77Å; V1378-M1394 HydrophobicContact CG1-SD 4.24Å; V1378-M1394 HydrophobicContact CG2-CG 3.75Å; A1390-M1394 WeakPolarHBondContact O-CB 3.35Å; A1390-M1394 VanDerWaalsContact O-CG 3.29Å; A1390-M1394 WeakPolarHBondContact O-CG 3.28Å; A1390-M1394 PolarHBondContact O-N 2.87Å; A1391-M1394 PolarHBondContact O-N 3.33Å; V1392-M1394 PolarHBondContact O-N 3.44Å; M1394-H1406 HydrophobicContact CE-CB 4.34Å; M1394-H1406 WeakPolarHBondContact CE-ND1 3.32Å; M1394-F1407 HydrophobicContact CB-CD2 3.85Å; M1394-F1407 HydrophobicContact CB-CE2 4.22Å; M1394-F1407 HydrophobicContact CG-CD2 4.39Å; M1394-F1407 HydrophobicContact SD-CB 3.89Å; M1394-F1407 HydrophobicContact SD-CD2 3.54Å; M1394-F1407 VanDerWaalsContact SD-CD2 3.54Å; M1394-F1407 HydrophobicContact SD-CG 4.19Å; M1394-V1410 HydrophobicContact CE-CB 4.4Å; M1394-V1410 HydrophobicContact CE-CG2 3.87Å |
| 1395 | M | 90.2 | Very high | 87.2 | Confident | 26 Ų | 26 | 58.7 Ų | 58.7 | 13% | 0.128 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73.2 | -35.5 | 178.8 | -72.6 | -175.5 | -73.1 | 0 | 0 | 113.2 | A1391 V1392 A1393 F1407 L1419 K1422 A1423 F1426 | A1391-M1395 HydrophobicContact CB-CE 4.46Å; A1391-M1395 WeakPolarHBondContact O-CE 3.31Å; A1391-M1395 WeakPolarHBondContact O-CG 3.42Å; A1391-M1395 PolarHBondContact O-N 3.02Å; V1392-M1395 HydrophobicContact CG2-CE 4.4Å; V1392-M1395 PolarHBondContact O-N 3.33Å; A1393-M1395 VanDerWaalsContact C-N 3.32Å; A1393-M1395 PolarHBondContact O-N 3.46Å; M1395-F1407 HydrophobicContact CG-CE2 3.82Å; M1395-F1407 HydrophobicContact CG-CZ 4.04Å; M1395-F1407 HydrophobicContact SD-CZ 4.26Å; M1395-L1419 HydrophobicContact CE-CD2 4.17Å; M1395-K1422 HydrophobicContact CE-CB 4.17Å; M1395-K1422 HydrophobicContact SD-CB 4.02Å; M1395-A1423 HydrophobicContact SD-CB 4.2Å; M1395-F1426 HydrophobicContact CB-CD2 4.23Å; M1395-F1426 HydrophobicContact CB-CG 4.32Å; M1395-F1426 HydrophobicContact CG-CB 4.14Å; M1395-F1426 HydrophobicContact CG-CD1 4.15Å; M1395-F1426 HydrophobicContact CG-CD2 4.32Å; M1395-F1426 HydrophobicContact CG-CG 3.92Å; M1395-F1426 HydrophobicContact SD-CB 4.17Å |
| 1396 | Q | 88.2 | Confident | 87.2 | Confident | 129 Ų | 129 | 53.6 Ų | 53.6 | 60% | 0.603 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -76 | -30 | 179.4 | -72.8 | 177.5 | -11 | 0 | 0 | 112.7 | V1392 A1393 P1398 | V1392-Q1396 HydrophobicContact CG1-CG 4.34Å; V1392-Q1396 WeakPolarHBondContact O-CG 3.32Å; V1392-Q1396 PolarHBondContact O-N 2.94Å; A1393-Q1396 PolarHBondContact O-N 3.14Å; Q1396-P1398 VanDerWaalsContact C-CD 3.42Å; Q1396-P1398 WeakPolarHBondContact O-CD 3.15Å |
| 1397 | H | 86.6 | Confident | 87.3 | Confident | 49 Ų | 49 | 50.3 Ų | 50.3 | 23% | 0.227 | 25% | 0.245 | C | C | . | . | trans | -125.6 | 63 | -175.5 | -57 | -73.4 | 0 | 0 | 0 | 112.4 | W1374 A1393 T1399 E1400 A1401 | W1374-H1397 HydrophobicContact CB-CB 3.97Å; W1374-H1397 AromaticContact CD1-CG 3.72Å; W1374-H1397 AromaticContact CD1-ND1 3.78Å; W1374-H1397 HydrophobicContact CD2-CB 4.33Å; W1374-H1397 AromaticContact CD2-CD2 3.43Å; W1374-H1397 VanDerWaalsContact CD2-CD2 3.43Å; W1374-H1397 AromaticContact CD2-CE1 3.98Å; W1374-H1397 AromaticContact CD2-CG 3.64Å; W1374-H1397 AromaticContact CD2-ND1 3.98Å; W1374-H1397 AromaticContact CD2-NE2 3.69Å; W1374-H1397 AromaticContact CE2-CD2 3.74Å; W1374-H1397 AromaticContact CE2-CE1 3.43Å; W1374-H1397 VanDerWaalsContact CE2-CE1 3.43Å; W1374-H1397 AromaticContact CE2-CG 3.81Å; W1374-H1397 AromaticContact CE2-ND1 3.63Å; W1374-H1397 AromaticContact CE2-NE2 3.52Å; W1374-H1397 AromaticContact CE3-CD2 3.59Å; W1374-H1397 AromaticContact CE3-NE2 3.79Å; W1374-H1397 HydrophobicContact CG-CB 3.8Å; W1374-H1397 AromaticContact CG-CD2 3.85Å; W1374-H1397 AromaticContact CG-CG 3.6Å; W1374-H1397 AromaticContact CH2-NE2 3.62Å; W1374-H1397 AromaticContact CZ2-CE1 3.49Å; W1374-H1397 VanDerWaalsContact CZ2-CE1 3.49Å; W1374-H1397 WeakPolarHBondContact CZ2-CE1 3.14Å; W1374-H1397 AromaticContact CZ2-NE2 3.5Å; W1374-H1397 WeakPolarHBondContact CZ2-NE2 3.05Å; W1374-H1397 AromaticContact CZ3-NE2 3.77Å; W1374-H1397 AromaticContact NE1-CE1 3.72Å; W1374-H1397 AromaticContact NE1-CG 3.84Å; W1374-H1397 AromaticContact NE1-ND1 3.49Å; W1374-H1397 PolarHBondContact NE1-ND1 3.44Å; A1393-H1397 PolarHBondContact O-N 2.92Å; H1397-T1399 VanDerWaalsContact C-N 3.32Å; H1397-T1399 PolarHBondContact O-N 2.85Å; H1397-E1400 PolarHBondContact O-N 3.4Å; H1397-A1401 HydrophobicContact CB-CB 4.48Å; H1397-A1401 WeakPolarHBondContact O-CB 3.23Å; H1397-A1401 PolarHBondContact O-N 3.34Å | ||
| 1398 | P | 82.7 | Confident | 87.1 | Confident | 28 Ų | 28 | 49.6 Ų | 49.6 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -24.6 | -168.5 | 27.9 | -36.5 | 0 | 0 | 0 | 114.8 | Q1396 E1400 W1402 F1426 Y1430 | Q1396-P1398 VanDerWaalsContact C-CD 3.42Å; Q1396-P1398 WeakPolarHBondContact O-CD 3.15Å; P1398-E1400 VanDerWaalsContact C-N 3.33Å; P1398-E1400 PolarHBondContact O-N 3.44Å; P1398-W1402 HydrophobicContact CB-CB 4.24Å; P1398-W1402 WeakPolarHBondContact O-CB 3.35Å; P1398-F1426 HydrophobicContact CB-CE2 3.67Å; P1398-F1426 HydrophobicContact CB-CZ 3.64Å; P1398-F1426 HydrophobicContact CG-CE2 4.09Å; P1398-Y1430 HydrophobicContact CB-CD1 4.4Å; P1398-Y1430 HydrophobicContact CB-CD2 4.47Å; P1398-Y1430 HydrophobicContact CB-CE1 4.1Å; P1398-Y1430 HydrophobicContact CB-CE2 4.17Å; P1398-Y1430 HydrophobicContact CG-CD2 4.39Å; P1398-Y1430 HydrophobicContact CG-CE2 4.05Å |
| 1399 | T | 80.5 | Confident | 86.9 | Confident | 113 Ų | 113 | 52 Ų | 52 | 69% | 0.693 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -27.8 | -179.7 | 45.4 | 0 | 0 | 0 | 0 | 113.3 | H1397 | H1397-T1399 VanDerWaalsContact C-N 3.32Å; H1397-T1399 PolarHBondContact O-N 2.85Å |
| 1400 | E | 82 | Confident | 86.9 | Confident | 114 Ų | 114 | 48.6 Ų | 48.6 | 53% | 0.533 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | -39.1 | -172.1 | -64.9 | -180 | -166.1 | 0 | 0 | 112.6 | W1374 S1375 H1397 P1398 | W1374-E1400 VanDerWaalsContact CD1-OE2 3.3Å; S1375-E1400 WeakPolarHBondContact CB-O 3.31Å; H1397-E1400 PolarHBondContact O-N 3.4Å; P1398-E1400 VanDerWaalsContact C-N 3.33Å; P1398-E1400 PolarHBondContact O-N 3.44Å |
| 1401 | A | 82.7 | Confident | 86.9 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.033 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -24.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | W1374 V1378 H1397 | W1374-A1401 HydrophobicContact CB-CB 4.02Å; V1378-A1401 HydrophobicContact CG2-CB 3.86Å; H1397-A1401 HydrophobicContact CB-CB 4.48Å; H1397-A1401 WeakPolarHBondContact O-CB 3.23Å; H1397-A1401 PolarHBondContact O-N 3.34Å |
| 1402 | W | 85.6 | Confident | 86.8 | Confident | 25 Ų | 25 | 50.9 Ų | 50.9 | 10% | 0.095 | 25% | 0.249 | C | C | . | . | trans | -83.5 | 122.7 | -173.5 | -175.3 | 88.6 | 0 | 0 | 0 | 112.1 | P1398 E1404 F1407 F1426 Y1427 K1431 L1434 | P1398-W1402 HydrophobicContact CB-CB 4.24Å; P1398-W1402 WeakPolarHBondContact O-CB 3.35Å; W1402-E1404 HydrophobicContact CH2-CB 3.69Å; W1402-E1404 HydrophobicContact CH2-CG 4.14Å; W1402-E1404 HydrophobicContact CZ2-CB 4.03Å; W1402-E1404 HydrophobicContact CZ2-CG 4.28Å; W1402-E1404 HydrophobicContact CZ3-CB 4.33Å; W1402-F1407 AromaticContact CD1-CD2 3.62Å; W1402-F1407 AromaticContact CD1-CG 3.79Å; W1402-F1407 AromaticContact NE1-CD1 3.93Å; W1402-F1407 AromaticContact NE1-CD2 3.73Å; W1402-F1407 AromaticContact NE1-CG 3.44Å; W1402-F1426 AromaticContact CD1-CE1 3.59Å; W1402-F1426 AromaticContact CD1-CZ 3.94Å; W1402-F1426 HydrophobicContact CD2-CE1 4.29Å; W1402-F1426 HydrophobicContact CD2-CZ 4.42Å; W1402-F1426 AromaticContact CE2-CE1 3.89Å; W1402-F1426 HydrophobicContact CG-CE1 4.13Å; W1402-F1426 HydrophobicContact CG-CZ 4.12Å; W1402-F1426 AromaticContact NE1-CE1 3.44Å; W1402-Y1427 HydrophobicContact CZ2-CE1 4.27Å; W1402-Y1427 HydrophobicContact CZ2-CE2 4.12Å; W1402-Y1427 AromaticContact CZ2-CZ 3.72Å; W1402-K1431 HydrophobicContact CH2-CD 3.75Å; W1402-K1431 HydrophobicContact CZ3-CD 3.93Å; W1402-L1434 HydrophobicContact CH2-CD1 4.33Å | ||
| 1403 | R | 85.2 | Confident | 86.7 | Confident | 146 Ų | 146 | 54 Ų | 54 | 55% | 0.551 | 26% | 0.259 | S | S | * | . | trans | -129.1 | 127.8 | 168.1 | -63.1 | 180 | -174.7 | 172.3 | 2.5 | 108.1 | Q1405 H1406 F1407 | R1403-Q1405 PolarHBondContact O-N 3.03Å; R1403-H1406 HydrophobicContact CB-CB 4.11Å; R1403-H1406 PolarHBondContact O-N 2.79Å; R1403-H1406 VanDerWaalsContact O-N 3.17Å; R1403-F1407 WeakPolarHBondContact O-CB 3.14Å; R1403-F1407 PolarHBondContact O-N 3.32Å | ||
| 1404 | E | 81.3 | Confident | 86.7 | Confident | 56 Ų | 56 | 53.7 Ų | 53.7 | 26% | 0.262 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -52.5 | -54.5 | -169.3 | -173.4 | -170.5 | 157.8 | 0 | 0 | 114 | W1402 H1406 F1407 K1408 L1434 | W1402-E1404 HydrophobicContact CH2-CB 3.69Å; W1402-E1404 HydrophobicContact CH2-CG 4.14Å; W1402-E1404 HydrophobicContact CZ2-CB 4.03Å; W1402-E1404 HydrophobicContact CZ2-CG 4.28Å; W1402-E1404 HydrophobicContact CZ3-CB 4.33Å; E1404-H1406 VanDerWaalsContact C-N 3.34Å; E1404-H1406 PolarHBondContact O-N 2.8Å; E1404-F1407 PolarHBondContact O-N 3.38Å; E1404-K1408 WeakPolarHBondContact O-CG 3.22Å; E1404-K1408 PolarHBondContact O-N 3.25Å; E1404-K1408 WeakPolarHBondContact OE1-CE 3.33Å; E1404-K1408 IonicContact OE1-NZ 3.32Å; E1404-K1408 PolarHBondContact OE1-NZ 2.75Å; E1404-L1434 VanDerWaalsContact CD-CD1 3.43Å; E1404-L1434 HydrophobicContact CG-CD1 4.07Å; E1404-L1434 WeakPolarHBondContact OE1-CD2 3.41Å; E1404-L1434 VanDerWaalsContact OE2-CD1 3.25Å; E1404-L1434 WeakPolarHBondContact OE2-CD1 2.8Å |
| 1405 | Q | 85 | Confident | 86.4 | Confident | 121 Ų | 121 | 57.5 Ų | 57.5 | 57% | 0.565 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.6 | -42.8 | -178.3 | -175.5 | 60.3 | 27.4 | 0 | 0 | 111.6 | R1403 K1408 E1409 | R1403-Q1405 PolarHBondContact O-N 3.03Å; Q1405-K1408 PolarHBondContact O-N 3.02Å; Q1405-E1409 PolarHBondContact NE2-OE1 3.06Å; Q1405-E1409 WeakPolarHBondContact O-CG 3.42Å; Q1405-E1409 PolarHBondContact O-N 3.32Å; Q1405-E1409 VanDerWaalsContact O-N 3.14Å |
| 1406 | H | 87.9 | Confident | 86.3 | Confident | 39 Ų | 39 | 59.9 Ų | 59.9 | 18% | 0.181 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 178.8 | -170.8 | -163.9 | 0 | 0 | 0 | 111.4 | D1382 M1394 R1403 E1404 K1408 E1409 V1410 | D1382-H1406 IonicContact OD2-CD2 4Å; D1382-H1406 IonicContact OD2-CE1 2.73Å; D1382-H1406 IonicContact OD2-NE2 3.76Å; D1382-H1406 PolarHBondContact OD2-NE2 3.03Å; M1394-H1406 HydrophobicContact CE-CB 4.34Å; M1394-H1406 WeakPolarHBondContact CE-ND1 3.32Å; R1403-H1406 HydrophobicContact CB-CB 4.11Å; R1403-H1406 PolarHBondContact O-N 2.79Å; R1403-H1406 VanDerWaalsContact O-N 3.17Å; E1404-H1406 VanDerWaalsContact C-N 3.34Å; E1404-H1406 PolarHBondContact O-N 2.8Å; H1406-K1408 PolarHBondContact O-N 2.97Å; H1406-E1409 PolarHBondContact O-N 3.2Å; H1406-V1410 WeakPolarHBondContact O-CG2 3.31Å; H1406-V1410 PolarHBondContact O-N 3.23Å |
| 1407 | F | 90.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.3 | -41 | 175.9 | -174.4 | -89.3 | 0 | 0 | 0 | 111.7 | A1391 M1394 M1395 W1402 R1403 E1404 E1409 V1410 I1411 A1423 Y1427 L1438 | A1391-F1407 HydrophobicContact CB-CE2 4.42Å; M1394-F1407 HydrophobicContact CB-CD2 3.85Å; M1394-F1407 HydrophobicContact CB-CE2 4.22Å; M1394-F1407 HydrophobicContact CG-CD2 4.39Å; M1394-F1407 HydrophobicContact SD-CB 3.89Å; M1394-F1407 HydrophobicContact SD-CD2 3.54Å; M1394-F1407 VanDerWaalsContact SD-CD2 3.54Å; M1394-F1407 HydrophobicContact SD-CG 4.19Å; M1395-F1407 HydrophobicContact CG-CE2 3.82Å; M1395-F1407 HydrophobicContact CG-CZ 4.04Å; M1395-F1407 HydrophobicContact SD-CZ 4.26Å; W1402-F1407 AromaticContact CD1-CD2 3.62Å; W1402-F1407 AromaticContact CD1-CG 3.79Å; W1402-F1407 AromaticContact NE1-CD1 3.93Å; W1402-F1407 AromaticContact NE1-CD2 3.73Å; W1402-F1407 AromaticContact NE1-CG 3.44Å; R1403-F1407 WeakPolarHBondContact O-CB 3.14Å; R1403-F1407 PolarHBondContact O-N 3.32Å; E1404-F1407 PolarHBondContact O-N 3.38Å; F1407-E1409 VanDerWaalsContact C-N 3.31Å; F1407-E1409 PolarHBondContact O-N 3.34Å; F1407-V1410 PolarHBondContact O-N 2.81Å; F1407-I1411 HydrophobicContact CD1-CB 4.29Å; F1407-I1411 HydrophobicContact CD1-CG2 4.29Å; F1407-I1411 HydrophobicContact CE1-CB 3.95Å; F1407-I1411 HydrophobicContact CE1-CD1 4.35Å; F1407-I1411 HydrophobicContact CE1-CG1 4.09Å; F1407-I1411 HydrophobicContact CE1-CG2 4.2Å; F1407-I1411 HydrophobicContact CZ-CB 4.32Å; F1407-I1411 HydrophobicContact CZ-CD1 4Å; F1407-I1411 HydrophobicContact CZ-CG1 4.25Å; F1407-I1411 VanDerWaalsContact O-CB 3.3Å; F1407-I1411 WeakPolarHBondContact O-CB 3.39Å; F1407-I1411 WeakPolarHBondContact O-CG2 3.43Å; F1407-I1411 PolarHBondContact O-N 3.41Å; F1407-A1423 HydrophobicContact CE1-CB 3.89Å; F1407-A1423 HydrophobicContact CZ-CB 3.71Å; F1407-Y1427 AromaticContact CD1-CE2 3.65Å; F1407-Y1427 HydrophobicContact CD1-CE2 3.65Å; F1407-Y1427 HydrophobicContact CE1-CD2 4.42Å; F1407-Y1427 AromaticContact CE1-CE2 3.58Å; F1407-Y1427 HydrophobicContact CE1-CE2 3.58Å; F1407-Y1427 HydrophobicContact CZ-CE2 4.48Å; F1407-L1438 HydrophobicContact CE1-CD1 4.29Å |
| 1408 | K | 87.7 | Confident | 86.2 | Confident | 25 Ų | 25 | 58.9 Ų | 58.9 | 11% | 0.109 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60 | -40.9 | 175.4 | -74.4 | 177.9 | -174.7 | 169.4 | 0 | 111.8 | E1404 Q1405 H1406 I1411 T1412 D1437 V1441 | E1404-K1408 WeakPolarHBondContact O-CG 3.22Å; E1404-K1408 PolarHBondContact O-N 3.25Å; E1404-K1408 WeakPolarHBondContact OE1-CE 3.33Å; E1404-K1408 IonicContact OE1-NZ 3.32Å; E1404-K1408 PolarHBondContact OE1-NZ 2.75Å; Q1405-K1408 PolarHBondContact O-N 3.02Å; H1406-K1408 PolarHBondContact O-N 2.97Å; K1408-I1411 WeakPolarHBondContact O-CG2 3.36Å; K1408-T1412 WeakPolarHBondContact O-CG2 3.2Å; K1408-T1412 PolarHBondContact O-N 2.98Å; K1408-T1412 PolarHBondContact O-OG1 3.09Å; K1408-D1437 IonicContact NZ-OD2 2.65Å; K1408-V1441 HydrophobicContact CD-CG2 4.5Å |
| 1409 | E | 86.7 | Confident | 86.5 | Confident | 95 Ų | 95 | 57.8 Ų | 57.8 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.6 | -41.7 | 177.3 | -71.2 | 169.5 | -160.3 | 0 | 0 | 112.4 | Q1405 H1406 F1407 T1412 | Q1405-E1409 PolarHBondContact NE2-OE1 3.06Å; Q1405-E1409 WeakPolarHBondContact O-CG 3.42Å; Q1405-E1409 PolarHBondContact O-N 3.32Å; Q1405-E1409 VanDerWaalsContact O-N 3.14Å; H1406-E1409 PolarHBondContact O-N 3.2Å; F1407-E1409 VanDerWaalsContact C-N 3.31Å; F1407-E1409 PolarHBondContact O-N 3.34Å; E1409-T1412 PolarHBondContact O-OG1 2.78Å |
| 1410 | V | 89.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.8 | -47 | 179.4 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | Y1387 A1390 A1391 M1394 H1406 F1407 T1412 K1413 V1414 | Y1387-V1410 HydrophobicContact CD1-CG1 4.25Å; Y1387-V1410 HydrophobicContact CD1-CG2 4.5Å; A1390-V1410 HydrophobicContact CB-CG1 3.85Å; A1391-V1410 HydrophobicContact CB-CG1 4.21Å; M1394-V1410 HydrophobicContact CE-CB 4.4Å; M1394-V1410 HydrophobicContact CE-CG2 3.87Å; H1406-V1410 WeakPolarHBondContact O-CG2 3.31Å; H1406-V1410 PolarHBondContact O-N 3.23Å; F1407-V1410 PolarHBondContact O-N 2.81Å; V1410-T1412 VanDerWaalsContact C-N 3.3Å; V1410-T1412 PolarHBondContact O-N 3.39Å; V1410-K1413 PolarHBondContact O-N 3.11Å; V1410-V1414 PolarHBondContact O-N 3.22Å |
| 1411 | I | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.5 | -36.9 | -174.6 | -162.2 | 66.3 | 0 | 0 | 0 | 111 | A1391 F1407 K1408 K1413 V1414 L1419 Y1420 A1423 L1438 L1442 | A1391-I1411 HydrophobicContact CB-CD1 4.12Å; F1407-I1411 HydrophobicContact CD1-CB 4.29Å; F1407-I1411 HydrophobicContact CD1-CG2 4.29Å; F1407-I1411 HydrophobicContact CE1-CB 3.95Å; F1407-I1411 HydrophobicContact CE1-CD1 4.35Å; F1407-I1411 HydrophobicContact CE1-CG1 4.09Å; F1407-I1411 HydrophobicContact CE1-CG2 4.2Å; F1407-I1411 HydrophobicContact CZ-CB 4.32Å; F1407-I1411 HydrophobicContact CZ-CD1 4Å; F1407-I1411 HydrophobicContact CZ-CG1 4.25Å; F1407-I1411 VanDerWaalsContact O-CB 3.3Å; F1407-I1411 WeakPolarHBondContact O-CB 3.39Å; F1407-I1411 WeakPolarHBondContact O-CG2 3.43Å; F1407-I1411 PolarHBondContact O-N 3.41Å; K1408-I1411 WeakPolarHBondContact O-CG2 3.36Å; I1411-K1413 PolarHBondContact O-N 3.44Å; I1411-K1413 VanDerWaalsContact O-N 3.11Å; I1411-V1414 HydrophobicContact CD1-CG1 4.24Å; I1411-V1414 HydrophobicContact CD1-CG2 4.35Å; I1411-V1414 WeakPolarHBondContact O-CG2 3.18Å; I1411-V1414 PolarHBondContact O-N 2.94Å; I1411-L1419 HydrophobicContact CD1-CB 4.28Å; I1411-Y1420 HydrophobicContact CD1-CD1 4.12Å; I1411-Y1420 HydrophobicContact CD1-CE1 4.42Å; I1411-Y1420 HydrophobicContact CG1-CD1 3.88Å; I1411-Y1420 HydrophobicContact CG1-CE1 4.03Å; I1411-Y1420 WeakPolarHBondContact O-CE1 3.26Å; I1411-A1423 HydrophobicContact CD1-CB 3.97Å; I1411-A1423 HydrophobicContact CG1-CB 4.17Å; I1411-L1438 HydrophobicContact CG2-CD1 3.99Å; I1411-L1442 HydrophobicContact CG1-CD2 4.19Å; I1411-L1442 HydrophobicContact CG2-CD2 3.95Å |
| 1412 | T | 89.3 | Confident | 87.8 | Confident | 49 Ų | 49 | 53.7 Ų | 53.7 | 30% | 0.301 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62 | -23.8 | 177.5 | 55.2 | 0 | 0 | 0 | 0 | 114.3 | K1408 E1409 V1410 V1441 | K1408-T1412 WeakPolarHBondContact O-CG2 3.2Å; K1408-T1412 PolarHBondContact O-N 2.98Å; K1408-T1412 PolarHBondContact O-OG1 3.09Å; E1409-T1412 PolarHBondContact O-OG1 2.78Å; V1410-T1412 VanDerWaalsContact C-N 3.3Å; V1410-T1412 PolarHBondContact O-N 3.39Å; T1412-V1441 HydrophobicContact CG2-CG1 3.16Å |
| 1413 | K | 88.7 | Confident | 88 | Confident | 108 Ų | 108 | 52.5 Ų | 52.5 | 47% | 0.47 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -95.9 | -6.5 | -175.6 | -62.1 | 177.5 | -175.8 | 175.1 | 0 | 114.4 | Y1387 V1410 I1411 | Y1387-K1413 HydrophobicContact CD1-CB 4.21Å; Y1387-K1413 HydrophobicContact CD1-CD 4.21Å; Y1387-K1413 HydrophobicContact CD2-CB 3.69Å; Y1387-K1413 HydrophobicContact CD2-CD 4.46Å; Y1387-K1413 HydrophobicContact CE1-CB 4.43Å; Y1387-K1413 HydrophobicContact CE1-CD 3.71Å; Y1387-K1413 HydrophobicContact CE2-CB 3.96Å; Y1387-K1413 HydrophobicContact CE2-CD 4.01Å; Y1387-K1413 HydrophobicContact CG-CB 3.83Å; V1410-K1413 PolarHBondContact O-N 3.11Å; I1411-K1413 PolarHBondContact O-N 3.44Å; I1411-K1413 VanDerWaalsContact O-N 3.11Å |
| 1414 | V | 88.3 | Confident | 88.2 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | trans | -62.6 | 146.4 | 179.6 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | D1388 A1391 V1410 I1411 L1419 Y1420 R1445 | D1388-V1414 VanDerWaalsContact OD1-CA 3.27Å; D1388-V1414 WeakPolarHBondContact OD1-CA 3.4Å; D1388-V1414 WeakPolarHBondContact OD1-CB 3.46Å; A1391-V1414 HydrophobicContact CB-CG1 4.1Å; V1410-V1414 PolarHBondContact O-N 3.22Å; I1411-V1414 HydrophobicContact CD1-CG1 4.24Å; I1411-V1414 HydrophobicContact CD1-CG2 4.35Å; I1411-V1414 WeakPolarHBondContact O-CG2 3.18Å; I1411-V1414 PolarHBondContact O-N 2.94Å; V1414-L1419 HydrophobicContact CB-CD1 4.15Å; V1414-L1419 HydrophobicContact CG1-CD1 4.11Å; V1414-L1419 HydrophobicContact CG2-CB 4.38Å; V1414-Y1420 HydrophobicContact CG2-CD1 3.98Å; V1414-Y1420 HydrophobicContact CG2-CE1 3.29Å; V1414-R1445 PolarHBondContact O-NH1 3.38Å; V1414-R1445 VanDerWaalsContact O-NH1 3.11Å | ||
| 1415 | A | 84.2 | Confident | 88.6 | Confident | 80 Ų | 80 | 46 Ų | 46 | 66% | 0.661 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -82.6 | -37.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | D1388 I1417 | D1388-A1415 PolarHBondContact OD1-N 3.26Å; A1415-I1417 PolarHBondContact O-N 3.4Å |
| 1416 | N | 87.1 | Confident | 88.9 | Confident | 76 Ų | 76 | 41.4 Ų | 41.4 | 41% | 0.406 | 21% | 0.21 | S | C | . | . | trans | -85.7 | 105.7 | -177.6 | -172.3 | -4.2 | 0 | 0 | 0 | 112.9 | D1388 E1418 L1419 | D1388-N1416 VanDerWaalsContact OD2-CB 3.26Å; D1388-N1416 WeakPolarHBondContact OD2-CB 3.32Å; D1388-N1416 PolarHBondContact OD2-N 3.43Å; N1416-E1418 PolarHBondContact O-N 3.2Å; N1416-E1418 VanDerWaalsContact OD1-CB 3.29Å; N1416-E1418 WeakPolarHBondContact OD1-CB 3.45Å; N1416-E1418 PolarHBondContact OD1-N 3.24Å; N1416-L1419 HydrophobicContact CB-CD1 4.18Å; N1416-L1419 HydrophobicContact CB-CG 4.17Å; N1416-L1419 VanDerWaalsContact O-CB 3.29Å; N1416-L1419 WeakPolarHBondContact O-CB 3.42Å; N1416-L1419 PolarHBondContact O-N 3.06Å | ||
| 1417 | I | 85.4 | Confident | 89 | Confident | 72 Ų | 72 | 39.6 Ų | 39.6 | 37% | 0.369 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -24.2 | 178.9 | -58.6 | 174.2 | 0 | 0 | 0 | 112.4 | A1415 L1419 Y1420 Y1421 | A1415-I1417 PolarHBondContact O-N 3.4Å; I1417-L1419 PolarHBondContact O-N 2.93Å; I1417-L1419 VanDerWaalsContact O-N 3.16Å; I1417-Y1420 HydrophobicContact CG2-CD2 3.9Å; I1417-Y1420 HydrophobicContact CG2-CE2 4.4Å; I1417-Y1420 VanDerWaalsContact O-CB 3.27Å; I1417-Y1420 WeakPolarHBondContact O-CB 3.25Å; I1417-Y1420 PolarHBondContact O-N 3.21Å; I1417-Y1421 HydrophobicContact CG2-CE2 4.23Å |
| 1418 | E | 87.5 | Confident | 88.8 | Confident | 84 Ų | 84 | 40.5 Ų | 40.5 | 39% | 0.393 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.6 | -24 | 174.6 | -66.4 | -62.8 | 145.3 | 0 | 0 | 112.5 | N1416 Y1420 Y1421 K1422 R1450 | N1416-E1418 PolarHBondContact O-N 3.2Å; N1416-E1418 VanDerWaalsContact OD1-CB 3.29Å; N1416-E1418 WeakPolarHBondContact OD1-CB 3.45Å; N1416-E1418 PolarHBondContact OD1-N 3.24Å; E1418-Y1420 PolarHBondContact O-N 2.92Å; E1418-Y1421 PolarHBondContact O-N 3.24Å; E1418-K1422 PolarHBondContact O-N 3.46Å; E1418-R1450 VanDerWaalsContact CD-NH2 3.32Å; E1418-R1450 IonicContact OE1-CZ 3.59Å; E1418-R1450 IonicContact OE1-NH1 3.32Å; E1418-R1450 PolarHBondContact OE1-NH1 2.97Å; E1418-R1450 IonicContact OE1-NH2 3.16Å; E1418-R1450 PolarHBondContact OE1-NH2 3.17Å; E1418-R1450 IonicContact OE2-CZ 3.87Å; E1418-R1450 IonicContact OE2-NH1 2.89Å; E1418-R1450 IonicContact OE2-NH2 3.79Å; E1418-R1450 PolarHBondContact OE2-NH2 3.47Å |
| 1419 | L | 90.5 | Very high | 88.7 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.1 | -23.8 | 173.5 | -63.2 | 177.6 | 0 | 0 | 0 | 112.3 | D1388 V1392 M1395 I1411 V1414 N1416 I1417 K1422 A1423 | D1388-L1419 HydrophobicContact CB-CD1 3.78Å; V1392-L1419 HydrophobicContact CG2-CD2 3.59Å; M1395-L1419 HydrophobicContact CE-CD2 4.17Å; I1411-L1419 HydrophobicContact CD1-CB 4.28Å; V1414-L1419 HydrophobicContact CB-CD1 4.15Å; V1414-L1419 HydrophobicContact CG1-CD1 4.11Å; V1414-L1419 HydrophobicContact CG2-CB 4.38Å; N1416-L1419 HydrophobicContact CB-CD1 4.18Å; N1416-L1419 HydrophobicContact CB-CG 4.17Å; N1416-L1419 VanDerWaalsContact O-CB 3.29Å; N1416-L1419 WeakPolarHBondContact O-CB 3.42Å; N1416-L1419 PolarHBondContact O-N 3.06Å; I1417-L1419 PolarHBondContact O-N 2.93Å; I1417-L1419 VanDerWaalsContact O-N 3.16Å; L1419-K1422 HydrophobicContact CD2-CD 4.28Å; L1419-K1422 PolarHBondContact O-N 3.4Å; L1419-A1423 WeakPolarHBondContact O-CB 3.21Å; L1419-A1423 PolarHBondContact O-N 3.31Å |
| 1420 | Y | 91.4 | Very high | 88.5 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.4 | -43.6 | 173.2 | -63.7 | -10.6 | 0 | 0 | 0 | 111 | I1411 V1414 I1417 E1418 A1423 M1424 L1442 R1445 L1446 | I1411-Y1420 HydrophobicContact CD1-CD1 4.12Å; I1411-Y1420 HydrophobicContact CD1-CE1 4.42Å; I1411-Y1420 HydrophobicContact CG1-CD1 3.88Å; I1411-Y1420 HydrophobicContact CG1-CE1 4.03Å; I1411-Y1420 WeakPolarHBondContact O-CE1 3.26Å; V1414-Y1420 HydrophobicContact CG2-CD1 3.98Å; V1414-Y1420 HydrophobicContact CG2-CE1 3.29Å; I1417-Y1420 HydrophobicContact CG2-CD2 3.9Å; I1417-Y1420 HydrophobicContact CG2-CE2 4.4Å; I1417-Y1420 VanDerWaalsContact O-CB 3.27Å; I1417-Y1420 WeakPolarHBondContact O-CB 3.25Å; I1417-Y1420 PolarHBondContact O-N 3.21Å; E1418-Y1420 PolarHBondContact O-N 2.92Å; Y1420-A1423 WeakPolarHBondContact O-CB 3.46Å; Y1420-A1423 PolarHBondContact O-N 3.5Å; Y1420-M1424 VanDerWaalsContact O-CG 3.29Å; Y1420-M1424 WeakPolarHBondContact O-CG 3.36Å; Y1420-M1424 PolarHBondContact O-N 2.98Å; Y1420-L1442 HydrophobicContact CD1-CD1 4.11Å; Y1420-L1442 HydrophobicContact CD1-CD2 3.77Å; Y1420-L1442 HydrophobicContact CD2-CD2 4.37Å; Y1420-L1442 HydrophobicContact CE1-CD2 3.57Å; Y1420-L1442 HydrophobicContact CE2-CD2 4.2Å; Y1420-L1442 HydrophobicContact CG-CD1 4.06Å; Y1420-L1442 HydrophobicContact CG-CD2 4.18Å; Y1420-R1445 HydrophobicContact CE2-CB 3.91Å; Y1420-L1446 HydrophobicContact CD2-CD1 3.72Å; Y1420-L1446 HydrophobicContact CG-CD1 4.08Å |
| 1421 | Y | 89.9 | Confident | 88.4 | Confident | 16 Ų | 16 | 49.2 Ų | 49.2 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.9 | -38.1 | 177.5 | -60.6 | -81.2 | 0 | 0 | 0 | 112.2 | I1417 E1418 M1424 Q1425 R1450 | I1417-Y1421 HydrophobicContact CG2-CE2 4.23Å; E1418-Y1421 PolarHBondContact O-N 3.24Å; Y1421-M1424 HydrophobicContact CD1-CE 3.12Å; Y1421-M1424 HydrophobicContact CE1-CE 3.48Å; Y1421-M1424 VanDerWaalsContact CE1-CE 3.48Å; Y1421-M1424 HydrophobicContact CG-CE 3.75Å; Y1421-M1424 PolarHBondContact O-N 3Å; Y1421-Q1425 PolarHBondContact O-N 2.92Å; Y1421-R1450 HydrophobicContact CE1-CB 4.2Å; Y1421-R1450 HydrophobicContact CE1-CG 3.61Å; Y1421-R1450 VanDerWaalsContact CZ-CD 3.45Å; Y1421-R1450 WeakPolarHBondContact OH-CB 3.39Å; Y1421-R1450 VanDerWaalsContact OH-CD 3.32Å; Y1421-R1450 WeakPolarHBondContact OH-CD 3.44Å |
| 1422 | K | 89.7 | Confident | 88 | Confident | 127 Ų | 127 | 51.7 Ų | 51.7 | 55% | 0.552 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64.3 | -40 | 171.1 | -68.6 | -174 | -178.2 | 177.5 | 0 | 112.2 | M1395 E1418 L1419 Q1425 F1426 | M1395-K1422 HydrophobicContact CE-CB 4.17Å; M1395-K1422 HydrophobicContact SD-CB 4.02Å; E1418-K1422 PolarHBondContact O-N 3.46Å; L1419-K1422 HydrophobicContact CD2-CD 4.28Å; L1419-K1422 PolarHBondContact O-N 3.4Å; K1422-Q1425 PolarHBondContact O-N 3.23Å; K1422-F1426 VanDerWaalsContact O-CB 3.3Å; K1422-F1426 WeakPolarHBondContact O-CB 3.42Å; K1422-F1426 PolarHBondContact O-N 3.43Å |
| 1423 | A | 90.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1395 F1407 I1411 L1419 Y1420 F1426 Y1427 L1438 | M1395-A1423 HydrophobicContact SD-CB 4.2Å; F1407-A1423 HydrophobicContact CE1-CB 3.89Å; F1407-A1423 HydrophobicContact CZ-CB 3.71Å; I1411-A1423 HydrophobicContact CD1-CB 3.97Å; I1411-A1423 HydrophobicContact CG1-CB 4.17Å; L1419-A1423 WeakPolarHBondContact O-CB 3.21Å; L1419-A1423 PolarHBondContact O-N 3.31Å; Y1420-A1423 WeakPolarHBondContact O-CB 3.46Å; Y1420-A1423 PolarHBondContact O-N 3.5Å; A1423-F1426 PolarHBondContact O-N 2.93Å; A1423-Y1427 WeakPolarHBondContact O-CD2 3.12Å; A1423-Y1427 PolarHBondContact O-N 2.92Å; A1423-L1438 HydrophobicContact CB-CD2 4.32Å |
| 1424 | M | 89.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 174.3 | -73.2 | -173.8 | -70.1 | 0 | 0 | 111.6 | Y1420 Y1421 F1426 Y1427 L1428 L1439 L1446 T1451 F1454 F1455 | Y1420-M1424 VanDerWaalsContact O-CG 3.29Å; Y1420-M1424 WeakPolarHBondContact O-CG 3.36Å; Y1420-M1424 PolarHBondContact O-N 2.98Å; Y1421-M1424 HydrophobicContact CD1-CE 3.12Å; Y1421-M1424 HydrophobicContact CE1-CE 3.48Å; Y1421-M1424 VanDerWaalsContact CE1-CE 3.48Å; Y1421-M1424 HydrophobicContact CG-CE 3.75Å; Y1421-M1424 PolarHBondContact O-N 3Å; M1424-F1426 VanDerWaalsContact C-N 3.35Å; M1424-Y1427 PolarHBondContact O-N 3.24Å; M1424-L1428 WeakPolarHBondContact O-CB 3.37Å; M1424-L1428 PolarHBondContact O-N 2.98Å; M1424-L1439 HydrophobicContact CG-CD2 4.01Å; M1424-L1439 HydrophobicContact SD-CD2 3.43Å; M1424-L1439 WeakPolarHBondContact SD-CD2 3.25Å; M1424-L1446 HydrophobicContact CE-CD1 4.04Å; M1424-L1446 HydrophobicContact SD-CD1 4.43Å; M1424-L1446 HydrophobicContact SD-CD2 4.23Å; M1424-T1451 HydrophobicContact CE-CG2 4.4Å; M1424-T1451 HydrophobicContact SD-CG2 3.77Å; M1424-F1454 HydrophobicContact CB-CE1 4.07Å; M1424-F1455 HydrophobicContact CB-CZ 4.16Å; M1424-F1455 HydrophobicContact CG-CZ 4.24Å; M1424-F1455 HydrophobicContact SD-CE2 3.89Å; M1424-F1455 HydrophobicContact SD-CZ 3.93Å |
| 1425 | Q | 89.4 | Confident | 87.5 | Confident | 65 Ų | 65 | 53.2 Ų | 53.2 | 30% | 0.304 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 173.4 | -175.5 | 61.6 | 46.5 | 0 | 0 | 111.2 | Y1421 K1422 Y1427 L1428 D1429 F1454 | Y1421-Q1425 PolarHBondContact O-N 2.92Å; K1422-Q1425 PolarHBondContact O-N 3.23Å; Q1425-Y1427 PolarHBondContact O-N 3.31Å; Q1425-L1428 WeakPolarHBondContact O-CB 3.5Å; Q1425-L1428 PolarHBondContact O-N 3Å; Q1425-D1429 VanDerWaalsContact NE2-CG 3.29Å; Q1425-D1429 PolarHBondContact NE2-OD1 3.26Å; Q1425-D1429 PolarHBondContact NE2-OD2 2.86Å; Q1425-D1429 VanDerWaalsContact O-CG 3.25Å; Q1425-D1429 PolarHBondContact O-N 2.6Å; Q1425-F1454 HydrophobicContact CB-CZ 4.08Å |
| 1426 | F | 89.9 | Confident | 87.7 | Confident | 24 Ų | 24 | 51.1 Ų | 51.1 | 11% | 0.105 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.4 | -43 | 178 | 171.5 | -98.3 | 0 | 0 | 0 | 112.7 | M1395 P1398 W1402 K1422 A1423 M1424 D1429 Y1430 | M1395-F1426 HydrophobicContact CB-CD2 4.23Å; M1395-F1426 HydrophobicContact CB-CG 4.32Å; M1395-F1426 HydrophobicContact CG-CB 4.14Å; M1395-F1426 HydrophobicContact CG-CD1 4.15Å; M1395-F1426 HydrophobicContact CG-CD2 4.32Å; M1395-F1426 HydrophobicContact CG-CG 3.92Å; M1395-F1426 HydrophobicContact SD-CB 4.17Å; P1398-F1426 HydrophobicContact CB-CE2 3.67Å; P1398-F1426 HydrophobicContact CB-CZ 3.64Å; P1398-F1426 HydrophobicContact CG-CE2 4.09Å; W1402-F1426 AromaticContact CD1-CE1 3.59Å; W1402-F1426 AromaticContact CD1-CZ 3.94Å; W1402-F1426 HydrophobicContact CD2-CE1 4.29Å; W1402-F1426 HydrophobicContact CD2-CZ 4.42Å; W1402-F1426 AromaticContact CE2-CE1 3.89Å; W1402-F1426 HydrophobicContact CG-CE1 4.13Å; W1402-F1426 HydrophobicContact CG-CZ 4.12Å; W1402-F1426 AromaticContact NE1-CE1 3.44Å; K1422-F1426 VanDerWaalsContact O-CB 3.3Å; K1422-F1426 WeakPolarHBondContact O-CB 3.42Å; K1422-F1426 PolarHBondContact O-N 3.43Å; A1423-F1426 PolarHBondContact O-N 2.93Å; M1424-F1426 VanDerWaalsContact C-N 3.35Å; F1426-D1429 PolarHBondContact O-N 3.19Å; F1426-Y1430 HydrophobicContact CE2-CG 4.26Å; F1426-Y1430 HydrophobicContact CZ-CD1 4.04Å; F1426-Y1430 HydrophobicContact CZ-CG 4.11Å; F1426-Y1430 VanDerWaalsContact O-CB 3.3Å; F1426-Y1430 WeakPolarHBondContact O-CB 3.27Å; F1426-Y1430 PolarHBondContact O-N 3.42Å |
| 1427 | Y | 89.7 | Confident | 87.6 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.6 | -38.5 | 175.5 | -91.6 | -115.3 | 0 | 0 | 0 | 111.8 | W1402 F1407 A1423 M1424 Q1425 D1429 K1431 P1432 L1434 L1438 | W1402-Y1427 HydrophobicContact CZ2-CE1 4.27Å; W1402-Y1427 HydrophobicContact CZ2-CE2 4.12Å; W1402-Y1427 AromaticContact CZ2-CZ 3.72Å; F1407-Y1427 AromaticContact CD1-CE2 3.65Å; F1407-Y1427 HydrophobicContact CD1-CE2 3.65Å; F1407-Y1427 HydrophobicContact CE1-CD2 4.42Å; F1407-Y1427 AromaticContact CE1-CE2 3.58Å; F1407-Y1427 HydrophobicContact CE1-CE2 3.58Å; F1407-Y1427 HydrophobicContact CZ-CE2 4.48Å; A1423-Y1427 WeakPolarHBondContact O-CD2 3.12Å; A1423-Y1427 PolarHBondContact O-N 2.92Å; M1424-Y1427 PolarHBondContact O-N 3.24Å; Q1425-Y1427 PolarHBondContact O-N 3.31Å; Y1427-D1429 VanDerWaalsContact C-N 3.28Å; Y1427-D1429 PolarHBondContact O-N 3.3Å; Y1427-K1431 CarbonylContact O-C 3.54Å; Y1427-K1431 WeakPolarHBondContact O-CA 3.45Å; Y1427-K1431 PolarHBondContact O-N 3.09Å; Y1427-P1432 WeakPolarHBondContact O-CA 3.47Å; Y1427-L1434 HydrophobicContact CD1-CB 3.99Å; Y1427-L1434 HydrophobicContact CE1-CB 3.83Å; Y1427-L1438 HydrophobicContact CD1-CB 4.16Å; Y1427-L1438 HydrophobicContact CD1-CD2 4.16Å; Y1427-L1438 HydrophobicContact CD2-CD2 3.6Å; Y1427-L1438 HydrophobicContact CE1-CB 4.02Å; Y1427-L1438 HydrophobicContact CE1-CD2 4.41Å; Y1427-L1438 HydrophobicContact CE2-CD1 4.31Å; Y1427-L1438 HydrophobicContact CE2-CD2 3.89Å; Y1427-L1438 HydrophobicContact CG-CD2 3.73Å |
| 1428 | L | 86.6 | Confident | 87.7 | Confident | 19 Ų | 19 | 47.8 Ų | 47.8 | 10% | 0.099 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.9 | -41.4 | 175.3 | -170.4 | 68.1 | 0 | 0 | 0 | 111.3 | M1424 Q1425 L1435 C1458 H1460 | M1424-L1428 WeakPolarHBondContact O-CB 3.37Å; M1424-L1428 PolarHBondContact O-N 2.98Å; Q1425-L1428 WeakPolarHBondContact O-CB 3.5Å; Q1425-L1428 PolarHBondContact O-N 3Å; L1428-L1435 HydrophobicContact CD1-CD2 4.33Å; L1428-C1458 HydrophobicContact CD2-CB 4.11Å; L1428-H1460 HydrophobicContact CD1-CB 3.91Å |
| 1429 | D | 86.3 | Confident | 87.8 | Confident | 114 Ų | 114 | 43.8 Ų | 43.8 | 61% | 0.61 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -79.2 | -38.6 | -178 | -64.3 | -25.5 | 0 | 0 | 0 | 113.2 | Q1425 F1426 Y1427 | Q1425-D1429 VanDerWaalsContact NE2-CG 3.29Å; Q1425-D1429 PolarHBondContact NE2-OD1 3.26Å; Q1425-D1429 PolarHBondContact NE2-OD2 2.86Å; Q1425-D1429 VanDerWaalsContact O-CG 3.25Å; Q1425-D1429 PolarHBondContact O-N 2.6Å; F1426-D1429 PolarHBondContact O-N 3.19Å; Y1427-D1429 VanDerWaalsContact C-N 3.28Å; Y1427-D1429 PolarHBondContact O-N 3.3Å |
| 1430 | Y | 83.1 | Confident | 87.6 | Confident | 102 Ų | 102 | 45.6 Ų | 45.6 | 40% | 0.4 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -102 | -39.8 | -170.8 | -159.4 | -107.5 | 0 | 0 | 0 | 114.2 | P1398 F1426 | P1398-Y1430 HydrophobicContact CB-CD1 4.4Å; P1398-Y1430 HydrophobicContact CB-CD2 4.47Å; P1398-Y1430 HydrophobicContact CB-CE1 4.1Å; P1398-Y1430 HydrophobicContact CB-CE2 4.17Å; P1398-Y1430 HydrophobicContact CG-CD2 4.39Å; P1398-Y1430 HydrophobicContact CG-CE2 4.05Å; F1426-Y1430 HydrophobicContact CE2-CG 4.26Å; F1426-Y1430 HydrophobicContact CZ-CD1 4.04Å; F1426-Y1430 HydrophobicContact CZ-CG 4.11Å; F1426-Y1430 VanDerWaalsContact O-CB 3.3Å; F1426-Y1430 WeakPolarHBondContact O-CB 3.27Å; F1426-Y1430 PolarHBondContact O-N 3.42Å |
| 1431 | K | 85.8 | Confident | 87.4 | Confident | 88 Ų | 88 | 48.4 Ų | 48.4 | 38% | 0.383 | 25% | 0.247 | S | C | . | . | trans | -149.9 | 75.3 | -177.5 | -73.3 | -157.7 | -177.8 | -173.7 | 0 | 112.9 | W1402 Y1427 L1433 L1434 | W1402-K1431 HydrophobicContact CH2-CD 3.75Å; W1402-K1431 HydrophobicContact CZ3-CD 3.93Å; Y1427-K1431 CarbonylContact O-C 3.54Å; Y1427-K1431 WeakPolarHBondContact O-CA 3.45Å; Y1427-K1431 PolarHBondContact O-N 3.09Å; K1431-L1433 VanDerWaalsContact C-N 3.26Å; K1431-L1433 PolarHBondContact O-N 3.14Å; K1431-L1434 HydrophobicContact CB-CD1 4.15Å; K1431-L1434 HydrophobicContact CD-CD1 3.67Å; K1431-L1434 PolarHBondContact O-N 3.06Å | ||
| 1432 | P | 83.4 | Confident | 87.3 | Confident | 52 Ų | 52 | 47.8 Ų | 47.8 | 34% | 0.338 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -64.1 | -27 | -173.4 | 22.6 | -33.8 | 0 | 0 | 0 | 114.1 | Y1427 L1434 L1435 | Y1427-P1432 WeakPolarHBondContact O-CA 3.47Å; P1432-L1434 PolarHBondContact O-N 2.94Å; P1432-L1435 WeakPolarHBondContact O-CB 3.46Å; P1432-L1435 PolarHBondContact O-N 3.42Å |
| 1433 | L | 84.1 | Confident | 87.2 | Confident | 158 Ų | 158 | 42.2 Ų | 42.2 | 83% | 0.827 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -65.4 | -23.9 | 180 | -65.1 | 175.5 | 0 | 0 | 0 | 113.7 | K1431 | K1431-L1433 VanDerWaalsContact C-N 3.26Å; K1431-L1433 PolarHBondContact O-N 3.14Å |
| 1434 | L | 85.7 | Confident | 86.8 | Confident | 32 Ų | 32 | 47.8 Ų | 47.8 | 17% | 0.168 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -95.2 | 4.3 | -178.4 | -61.7 | 171.8 | 0 | 0 | 0 | 112.7 | W1402 E1404 Y1427 K1431 P1432 D1437 L1438 | W1402-L1434 HydrophobicContact CH2-CD1 4.33Å; E1404-L1434 VanDerWaalsContact CD-CD1 3.43Å; E1404-L1434 HydrophobicContact CG-CD1 4.07Å; E1404-L1434 WeakPolarHBondContact OE1-CD2 3.41Å; E1404-L1434 VanDerWaalsContact OE2-CD1 3.25Å; E1404-L1434 WeakPolarHBondContact OE2-CD1 2.8Å; Y1427-L1434 HydrophobicContact CD1-CB 3.99Å; Y1427-L1434 HydrophobicContact CE1-CB 3.83Å; K1431-L1434 HydrophobicContact CB-CD1 4.15Å; K1431-L1434 HydrophobicContact CD-CD1 3.67Å; K1431-L1434 PolarHBondContact O-N 3.06Å; P1432-L1434 PolarHBondContact O-N 2.94Å; L1434-D1437 PolarHBondContact O-N 3.23Å; L1434-L1438 PolarHBondContact O-N 2.8Å; L1434-L1438 VanDerWaalsContact O-N 3.14Å |
| 1435 | L | 87.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.9 | -43.1 | -174.3 | -175.6 | 65.4 | 0 | 0 | 0 | 112.2 | L1428 P1432 D1437 L1438 L1439 F1455 V1464 | L1428-L1435 HydrophobicContact CD1-CD2 4.33Å; P1432-L1435 WeakPolarHBondContact O-CB 3.46Å; P1432-L1435 PolarHBondContact O-N 3.42Å; L1435-D1437 VanDerWaalsContact C-N 3.29Å; L1435-D1437 PolarHBondContact O-N 3.03Å; L1435-L1438 PolarHBondContact O-N 3.2Å; L1435-L1439 HydrophobicContact CG-CD1 4.09Å; L1435-L1439 HydrophobicContact CG-CG 4.5Å; L1435-L1439 VanDerWaalsContact O-CG 3.27Å; L1435-L1439 WeakPolarHBondContact O-CG 3.24Å; L1435-L1439 PolarHBondContact O-N 3.18Å; L1435-F1455 HydrophobicContact CD1-CE1 4.22Å; L1435-F1455 HydrophobicContact CD1-CZ 3.95Å; L1435-F1455 HydrophobicContact CD2-CD1 4.38Å; L1435-F1455 HydrophobicContact CD2-CE1 3.57Å; L1435-F1455 HydrophobicContact CD2-CZ 3.87Å; L1435-F1455 HydrophobicContact CG-CE1 4.35Å; L1435-F1455 HydrophobicContact CG-CZ 4.19Å; L1435-V1464 HydrophobicContact CD2-CG1 3.49Å; L1435-V1464 VanDerWaalsContact CD2-CG1 3.49Å; L1435-V1464 HydrophobicContact CG-CG1 4.05Å |
| 1436 | N | 87.1 | Confident | 86.4 | Confident | 35 Ų | 35 | 51.1 Ų | 51.1 | 19% | 0.187 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.2 | -38 | 177.7 | -74.3 | -70.8 | 0 | 0 | 0 | 112.1 | L1439 A1440 L1463 V1464 P1466 Y1467 | N1436-L1439 PolarHBondContact O-N 3.29Å; N1436-A1440 WeakPolarHBondContact O-CB 3.37Å; N1436-A1440 PolarHBondContact O-N 3.49Å; N1436-L1463 PolarHBondContact ND2-O 3.25Å; N1436-V1464 WeakPolarHBondContact OD1-CA 2.7Å; N1436-P1466 WeakPolarHBondContact OD1-CD 3.47Å; N1436-Y1467 PolarHBondContact OD1-N 3.39Å |
| 1437 | D | 85.8 | Confident | 86.2 | Confident | 78 Ų | 78 | 53.8 Ų | 53.8 | 42% | 0.417 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 178 | -66.4 | -7 | 0 | 0 | 0 | 111.5 | K1408 L1434 L1435 V1441 | K1408-D1437 IonicContact NZ-OD2 2.65Å; L1434-D1437 PolarHBondContact O-N 3.23Å; L1435-D1437 VanDerWaalsContact C-N 3.29Å; L1435-D1437 PolarHBondContact O-N 3.03Å; D1437-V1441 WeakPolarHBondContact O-CG2 3.12Å; D1437-V1441 PolarHBondContact O-N 3.07Å |
| 1438 | L | 87.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -47.5 | 173 | 177.2 | 70.2 | 0 | 0 | 0 | 110.9 | F1407 I1411 A1423 Y1427 L1434 L1435 A1440 V1441 L1442 | F1407-L1438 HydrophobicContact CE1-CD1 4.29Å; I1411-L1438 HydrophobicContact CG2-CD1 3.99Å; A1423-L1438 HydrophobicContact CB-CD2 4.32Å; Y1427-L1438 HydrophobicContact CD1-CB 4.16Å; Y1427-L1438 HydrophobicContact CD1-CD2 4.16Å; Y1427-L1438 HydrophobicContact CD2-CD2 3.6Å; Y1427-L1438 HydrophobicContact CE1-CB 4.02Å; Y1427-L1438 HydrophobicContact CE1-CD2 4.41Å; Y1427-L1438 HydrophobicContact CE2-CD1 4.31Å; Y1427-L1438 HydrophobicContact CE2-CD2 3.89Å; Y1427-L1438 HydrophobicContact CG-CD2 3.73Å; L1434-L1438 PolarHBondContact O-N 2.8Å; L1434-L1438 VanDerWaalsContact O-N 3.14Å; L1435-L1438 PolarHBondContact O-N 3.2Å; L1438-A1440 VanDerWaalsContact C-N 3.31Å; L1438-A1440 PolarHBondContact O-N 3.43Å; L1438-V1441 PolarHBondContact O-N 3Å; L1438-L1442 HydrophobicContact CD1-CD1 3.93Å; L1438-L1442 HydrophobicContact CD1-CG 4.2Å; L1438-L1442 HydrophobicContact CD2-CD1 4.35Å; L1438-L1442 HydrophobicContact CG-CD1 3.88Å; L1438-L1442 HydrophobicContact CG-CG 4.38Å; L1438-L1442 WeakPolarHBondContact O-CG 3.44Å; L1438-L1442 PolarHBondContact O-N 3.18Å |
| 1439 | L | 88.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.9 | -37 | -178.3 | -70.3 | 172.7 | 0 | 0 | 0 | 112.2 | M1424 L1435 N1436 V1441 L1442 A1443 L1446 T1451 F1455 V1464 Y1467 | M1424-L1439 HydrophobicContact CG-CD2 4.01Å; M1424-L1439 HydrophobicContact SD-CD2 3.43Å; M1424-L1439 WeakPolarHBondContact SD-CD2 3.25Å; L1435-L1439 HydrophobicContact CG-CD1 4.09Å; L1435-L1439 HydrophobicContact CG-CG 4.5Å; L1435-L1439 VanDerWaalsContact O-CG 3.27Å; L1435-L1439 WeakPolarHBondContact O-CG 3.24Å; L1435-L1439 PolarHBondContact O-N 3.18Å; N1436-L1439 PolarHBondContact O-N 3.29Å; L1439-V1441 VanDerWaalsContact C-N 3.32Å; L1439-V1441 PolarHBondContact O-N 3.43Å; L1439-L1442 PolarHBondContact O-N 2.87Å; L1439-A1443 WeakPolarHBondContact O-CB 3.39Å; L1439-A1443 PolarHBondContact O-N 3.47Å; L1439-L1446 HydrophobicContact CD2-CD2 3.96Å; L1439-T1451 HydrophobicContact CD2-CG2 4.06Å; L1439-F1455 HydrophobicContact CD1-CE2 3.87Å; L1439-F1455 HydrophobicContact CD1-CZ 4.13Å; L1439-F1455 HydrophobicContact CD2-CE2 4.05Å; L1439-F1455 HydrophobicContact CD2-CZ 4.34Å; L1439-V1464 HydrophobicContact CD1-CB 3.94Å; L1439-V1464 HydrophobicContact CD1-CG1 3.44Å; L1439-V1464 VanDerWaalsContact CD1-CG1 3.44Å; L1439-Y1467 HydrophobicContact CB-CD1 4.25Å; L1439-Y1467 HydrophobicContact CB-CD2 3.41Å; L1439-Y1467 VanDerWaalsContact CB-CD2 3.41Å; L1439-Y1467 HydrophobicContact CB-CE2 3.75Å; L1439-Y1467 HydrophobicContact CB-CG 3.64Å; L1439-Y1467 HydrophobicContact CD1-CD1 3.84Å; L1439-Y1467 HydrophobicContact CD1-CD2 4.46Å; L1439-Y1467 HydrophobicContact CD1-CE1 4.41Å; L1439-Y1467 HydrophobicContact CD1-CG 3.83Å; L1439-Y1467 HydrophobicContact CG-CD2 4.46Å; L1439-Y1467 HydrophobicContact CG-CG 4.31Å; L1439-Y1467 WeakPolarHBondContact O-CE2 3.43Å |
| 1440 | A | 87.5 | Confident | 86.3 | Confident | 44 Ų | 44 | 56 Ų | 56 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1436 L1438 A1443 M1470 | N1436-A1440 WeakPolarHBondContact O-CB 3.37Å; N1436-A1440 PolarHBondContact O-N 3.49Å; L1438-A1440 VanDerWaalsContact C-N 3.31Å; L1438-A1440 PolarHBondContact O-N 3.43Å; A1440-A1443 WeakPolarHBondContact O-CB 3.49Å; A1440-M1470 HydrophobicContact CB-CE 4.25Å; A1440-M1470 HydrophobicContact CB-SD 4.01Å |
| 1441 | V | 87.2 | Confident | 86.5 | Confident | 61 Ų | 61 | 51.2 Ų | 51.2 | 37% | 0.37 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69.9 | -35.9 | 178.5 | 170.5 | 0 | 0 | 0 | 0 | 112.1 | K1408 T1412 D1437 L1438 L1439 | K1408-V1441 HydrophobicContact CD-CG2 4.5Å; T1412-V1441 HydrophobicContact CG2-CG1 3.16Å; D1437-V1441 WeakPolarHBondContact O-CG2 3.12Å; D1437-V1441 PolarHBondContact O-N 3.07Å; L1438-V1441 PolarHBondContact O-N 3Å; L1439-V1441 VanDerWaalsContact C-N 3.32Å; L1439-V1441 PolarHBondContact O-N 3.43Å |
| 1442 | L | 88.1 | Confident | 86.5 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -82.9 | -15 | 179.4 | -67.2 | -178.7 | 0 | 0 | 0 | 114.1 | I1411 Y1420 L1438 L1439 P1444 R1445 L1446 | I1411-L1442 HydrophobicContact CG1-CD2 4.19Å; I1411-L1442 HydrophobicContact CG2-CD2 3.95Å; Y1420-L1442 HydrophobicContact CD1-CD1 4.11Å; Y1420-L1442 HydrophobicContact CD1-CD2 3.77Å; Y1420-L1442 HydrophobicContact CD2-CD2 4.37Å; Y1420-L1442 HydrophobicContact CE1-CD2 3.57Å; Y1420-L1442 HydrophobicContact CE2-CD2 4.2Å; Y1420-L1442 HydrophobicContact CG-CD1 4.06Å; Y1420-L1442 HydrophobicContact CG-CD2 4.18Å; L1438-L1442 HydrophobicContact CD1-CD1 3.93Å; L1438-L1442 HydrophobicContact CD1-CG 4.2Å; L1438-L1442 HydrophobicContact CD2-CD1 4.35Å; L1438-L1442 HydrophobicContact CG-CD1 3.88Å; L1438-L1442 HydrophobicContact CG-CG 4.38Å; L1438-L1442 WeakPolarHBondContact O-CG 3.44Å; L1438-L1442 PolarHBondContact O-N 3.18Å; L1439-L1442 PolarHBondContact O-N 2.87Å; L1442-P1444 VanDerWaalsContact C-N 3.34Å; L1442-P1444 VanDerWaalsContact O-N 3.11Å; L1442-R1445 PolarHBondContact O-N 3.38Å; L1442-R1445 VanDerWaalsContact O-N 3.08Å; L1442-L1446 HydrophobicContact CB-CD1 4.33Å; L1442-L1446 WeakPolarHBondContact O-CB 3.29Å; L1442-L1446 PolarHBondContact O-N 3.3Å; L1442-L1446 VanDerWaalsContact O-N 3.16Å |
| 1443 | A | 85.8 | Confident | 86.6 | Confident | 10 Ų | 10 | 47.6 Ų | 47.6 | 8% | 0.083 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -47.3 | -42.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1439 A1440 R1445 L1446 H1448 Y1467 M1470 V1471 | L1439-A1443 WeakPolarHBondContact O-CB 3.39Å; L1439-A1443 PolarHBondContact O-N 3.47Å; A1440-A1443 WeakPolarHBondContact O-CB 3.49Å; A1443-R1445 VanDerWaalsContact C-N 3.25Å; A1443-R1445 PolarHBondContact O-N 2.96Å; A1443-L1446 PolarHBondContact O-N 2.93Å; A1443-H1448 PolarHBondContact O-CE1 3Å; A1443-Y1467 HydrophobicContact CB-CE2 4.09Å; A1443-M1470 HydrophobicContact CB-CE 3.59Å; A1443-V1471 HydrophobicContact CB-CG1 4.18Å |
| 1444 | P | 83.7 | Confident | 86.7 | Confident | 118 Ų | 118 | 42.2 Ų | 42.2 | 77% | 0.766 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -65.2 | -21.9 | -177 | -23 | 34.9 | 0 | 0 | 0 | 115.4 | L1442 | L1442-P1444 VanDerWaalsContact C-N 3.34Å; L1442-P1444 VanDerWaalsContact O-N 3.11Å |
| 1445 | R | 84.9 | Confident | 86.8 | Confident | 126 Ų | 126 | 40.7 Ų | 40.7 | 48% | 0.475 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -119 | -0 | -177.4 | -63 | -173.5 | 78.1 | -161.5 | 0.7 | 113.4 | V1414 Y1420 L1442 A1443 | V1414-R1445 PolarHBondContact O-NH1 3.38Å; V1414-R1445 VanDerWaalsContact O-NH1 3.11Å; Y1420-R1445 HydrophobicContact CE2-CB 3.91Å; L1442-R1445 PolarHBondContact O-N 3.38Å; L1442-R1445 VanDerWaalsContact O-N 3.08Å; A1443-R1445 VanDerWaalsContact C-N 3.25Å; A1443-R1445 PolarHBondContact O-N 2.96Å |
| 1446 | L | 84.8 | Confident | 86.7 | Confident | 9 Ų | 9 | 44 Ų | 44 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -89.5 | 138.1 | -176.5 | -158 | 79.6 | 0 | 0 | 0 | 110.5 | Y1420 M1424 L1439 L1442 A1443 H1448 T1451 Y1467 | Y1420-L1446 HydrophobicContact CD2-CD1 3.72Å; Y1420-L1446 HydrophobicContact CG-CD1 4.08Å; M1424-L1446 HydrophobicContact CE-CD1 4.04Å; M1424-L1446 HydrophobicContact SD-CD1 4.43Å; M1424-L1446 HydrophobicContact SD-CD2 4.23Å; L1439-L1446 HydrophobicContact CD2-CD2 3.96Å; L1442-L1446 HydrophobicContact CB-CD1 4.33Å; L1442-L1446 WeakPolarHBondContact O-CB 3.29Å; L1442-L1446 PolarHBondContact O-N 3.3Å; L1442-L1446 VanDerWaalsContact O-N 3.16Å; A1443-L1446 PolarHBondContact O-N 2.93Å; L1446-H1448 PolarHBondContact O-N 3.1Å; L1446-T1451 HydrophobicContact CD2-CG2 3.64Å; L1446-T1451 WeakPolarHBondContact CD2-OG1 3.35Å; L1446-T1451 VanDerWaalsContact CG-OG1 3.29Å; L1446-T1451 WeakPolarHBondContact CG-OG1 3.33Å; L1446-Y1467 VanDerWaalsContact CD2-OH 3.23Å; L1446-Y1467 WeakPolarHBondContact CD2-OH 3.45Å |
| 1447 | D | 87 | Confident | 86.6 | Confident | 80 Ų | 80 | 51.3 Ų | 51.3 | 43% | 0.428 | 28% | 0.275 | S | S | . | . | trans | -77.3 | 105.8 | 167.5 | 178.2 | -13 | 0 | 0 | 0 | 108.9 | T1449 R1450 T1451 | D1447-T1449 VanDerWaalsContact C-N 3.3Å; D1447-T1449 PolarHBondContact O-N 3.3Å; D1447-T1449 WeakPolarHBondContact OD1-CB 3.24Å; D1447-T1449 PolarHBondContact OD1-N 2.77Å; D1447-R1450 HydrophobicContact CB-CB 4.13Å; D1447-R1450 PolarHBondContact O-N 3.31Å; D1447-R1450 PolarHBondContact OD1-N 3.47Å; D1447-T1451 WeakPolarHBondContact O-CB 3.48Å; D1447-T1451 PolarHBondContact O-N 2.94Å; D1447-T1451 PolarHBondContact O-OG1 3.09Å | ||
| 1448 | H | 87.9 | Confident | 86.4 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 6% | 0.06 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.1 | -33.4 | -176.5 | -55.2 | -53.3 | 0 | 0 | 0 | 113.3 | A1443 L1446 T1451 A1452 Y1467 Q1474 I1479 | A1443-H1448 PolarHBondContact O-CE1 3Å; L1446-H1448 PolarHBondContact O-N 3.1Å; H1448-T1451 PolarHBondContact O-N 3.33Å; H1448-A1452 WeakPolarHBondContact O-CB 3.43Å; H1448-A1452 PolarHBondContact O-N 3.12Å; H1448-Y1467 PolarHBondContact CE1-OH 2.87Å; H1448-Y1467 AromaticContact ND1-CZ 3.77Å; H1448-Y1467 PolarHBondContact ND1-OH 3.38Å; H1448-Q1474 PolarHBondContact CD2-OE1 2.9Å; H1448-Q1474 PolarHBondContact NE2-NE2 3.21Å; H1448-Q1474 PolarHBondContact NE2-OE1 3.45Å; H1448-Q1474 VanDerWaalsContact NE2-OE1 3.17Å; H1448-I1479 HydrophobicContact CB-CD1 3.35Å; H1448-I1479 HydrophobicContact CB-CG1 4.01Å |
| 1449 | T | 87.3 | Confident | 86.2 | Confident | 62 Ų | 62 | 56.3 Ų | 56.3 | 38% | 0.38 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.5 | -49.5 | 178.8 | -48 | 0 | 0 | 0 | 0 | 110 | D1447 T1451 A1452 A1453 N1476 A1478 | D1447-T1449 VanDerWaalsContact C-N 3.3Å; D1447-T1449 PolarHBondContact O-N 3.3Å; D1447-T1449 WeakPolarHBondContact OD1-CB 3.24Å; D1447-T1449 PolarHBondContact OD1-N 2.77Å; T1449-T1451 VanDerWaalsContact C-N 3.28Å; T1449-T1451 PolarHBondContact O-N 2.97Å; T1449-A1452 PolarHBondContact O-N 3.33Å; T1449-A1453 PolarHBondContact O-N 2.81Å; T1449-A1453 VanDerWaalsContact O-N 3.09Å; T1449-N1476 PolarHBondContact OG1-ND2 3.49Å; T1449-A1478 HydrophobicContact CG2-CB 3.71Å |
| 1450 | R | 88.7 | Confident | 85.9 | Confident | 106 Ų | 106 | 60.1 Ų | 60.1 | 40% | 0.4 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.4 | -33.6 | 177.7 | -175 | 172.6 | 168.4 | -166.4 | -2 | 111.7 | E1418 Y1421 D1447 F1454 | E1418-R1450 VanDerWaalsContact CD-NH2 3.32Å; E1418-R1450 IonicContact OE1-CZ 3.59Å; E1418-R1450 IonicContact OE1-NH1 3.32Å; E1418-R1450 PolarHBondContact OE1-NH1 2.97Å; E1418-R1450 IonicContact OE1-NH2 3.16Å; E1418-R1450 PolarHBondContact OE1-NH2 3.17Å; E1418-R1450 IonicContact OE2-CZ 3.87Å; E1418-R1450 IonicContact OE2-NH1 2.89Å; E1418-R1450 IonicContact OE2-NH2 3.79Å; E1418-R1450 PolarHBondContact OE2-NH2 3.47Å; Y1421-R1450 HydrophobicContact CE1-CB 4.2Å; Y1421-R1450 HydrophobicContact CE1-CG 3.61Å; Y1421-R1450 VanDerWaalsContact CZ-CD 3.45Å; Y1421-R1450 WeakPolarHBondContact OH-CB 3.39Å; Y1421-R1450 VanDerWaalsContact OH-CD 3.32Å; Y1421-R1450 WeakPolarHBondContact OH-CD 3.44Å; D1447-R1450 HydrophobicContact CB-CB 4.13Å; D1447-R1450 PolarHBondContact O-N 3.31Å; D1447-R1450 PolarHBondContact OD1-N 3.47Å; R1450-F1454 WeakPolarHBondContact O-CB 3.39Å; R1450-F1454 PolarHBondContact O-N 3.3Å |
| 1451 | T | 87.8 | Confident | 85.7 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.8 | -45.8 | 177.5 | -58.4 | 0 | 0 | 0 | 0 | 112.4 | M1424 L1439 L1446 D1447 H1448 T1449 F1454 F1455 Y1467 | M1424-T1451 HydrophobicContact CE-CG2 4.4Å; M1424-T1451 HydrophobicContact SD-CG2 3.77Å; L1439-T1451 HydrophobicContact CD2-CG2 4.06Å; L1446-T1451 HydrophobicContact CD2-CG2 3.64Å; L1446-T1451 WeakPolarHBondContact CD2-OG1 3.35Å; L1446-T1451 VanDerWaalsContact CG-OG1 3.29Å; L1446-T1451 WeakPolarHBondContact CG-OG1 3.33Å; D1447-T1451 WeakPolarHBondContact O-CB 3.48Å; D1447-T1451 PolarHBondContact O-N 2.94Å; D1447-T1451 PolarHBondContact O-OG1 3.09Å; H1448-T1451 PolarHBondContact O-N 3.33Å; T1449-T1451 VanDerWaalsContact C-N 3.28Å; T1449-T1451 PolarHBondContact O-N 2.97Å; T1451-F1454 WeakPolarHBondContact O-CB 3.34Å; T1451-F1454 PolarHBondContact O-N 3.19Å; T1451-F1455 HydrophobicContact CG2-CD2 3.86Å; T1451-F1455 HydrophobicContact CG2-CE2 3.55Å; T1451-F1455 WeakPolarHBondContact O-CD2 3.42Å; T1451-F1455 PolarHBondContact O-N 2.79Å; T1451-F1455 VanDerWaalsContact O-N 3.11Å; T1451-Y1467 HydrophobicContact CG2-CE1 4.06Å |
| 1452 | A | 84.9 | Confident | 85.5 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 3% | 0.033 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.1 | -48.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | H1448 T1449 F1454 F1455 T1456 | H1448-A1452 WeakPolarHBondContact O-CB 3.43Å; H1448-A1452 PolarHBondContact O-N 3.12Å; T1449-A1452 PolarHBondContact O-N 3.33Å; A1452-F1454 VanDerWaalsContact C-N 3.29Å; A1452-F1454 PolarHBondContact O-N 2.89Å; A1452-F1455 PolarHBondContact O-N 2.71Å; A1452-T1456 WeakPolarHBondContact O-CB 3.15Å; A1452-T1456 PolarHBondContact O-N 3.35Å; A1452-T1456 PolarHBondContact O-OG1 3.44Å |
| 1453 | A | 86.2 | Confident | 85.2 | Confident | 60 Ų | 60 | 62.7 Ų | 62.7 | 50% | 0.496 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.4 | -37.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1449 K1457 | T1449-A1453 PolarHBondContact O-N 2.81Å; T1449-A1453 VanDerWaalsContact O-N 3.09Å; A1453-K1457 WeakPolarHBondContact O-CB 3.3Å; A1453-K1457 PolarHBondContact O-N 3.02Å |
| 1454 | F | 87.1 | Confident | 85.3 | Confident | 44 Ų | 44 | 62.2 Ų | 62.2 | 19% | 0.193 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.6 | -51.8 | 175.8 | 174.8 | -96.1 | 0 | 0 | 0 | 111.7 | M1424 Q1425 R1450 T1451 A1452 T1456 K1457 C1458 | M1424-F1454 HydrophobicContact CB-CE1 4.07Å; Q1425-F1454 HydrophobicContact CB-CZ 4.08Å; R1450-F1454 WeakPolarHBondContact O-CB 3.39Å; R1450-F1454 PolarHBondContact O-N 3.3Å; T1451-F1454 WeakPolarHBondContact O-CB 3.34Å; T1451-F1454 PolarHBondContact O-N 3.19Å; A1452-F1454 VanDerWaalsContact C-N 3.29Å; A1452-F1454 PolarHBondContact O-N 2.89Å; F1454-T1456 PolarHBondContact O-N 2.89Å; F1454-K1457 PolarHBondContact O-N 2.72Å; F1454-C1458 PolarHBondContact O-N 3.43Å; F1454-C1458 PolarHBondContact O-SG 2.97Å; F1454-C1458 VanDerWaalsContact O-SG 3.39Å |
| 1455 | F | 88.1 | Confident | 85.3 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.5 | -31.6 | 180 | -70.6 | -63.6 | 0 | 0 | 0 | 113.6 | M1424 L1435 L1439 T1451 A1452 C1458 N1459 H1460 L1461 V1464 | M1424-F1455 HydrophobicContact CB-CZ 4.16Å; M1424-F1455 HydrophobicContact CG-CZ 4.24Å; M1424-F1455 HydrophobicContact SD-CE2 3.89Å; M1424-F1455 HydrophobicContact SD-CZ 3.93Å; L1435-F1455 HydrophobicContact CD1-CE1 4.22Å; L1435-F1455 HydrophobicContact CD1-CZ 3.95Å; L1435-F1455 HydrophobicContact CD2-CD1 4.38Å; L1435-F1455 HydrophobicContact CD2-CE1 3.57Å; L1435-F1455 HydrophobicContact CD2-CZ 3.87Å; L1435-F1455 HydrophobicContact CG-CE1 4.35Å; L1435-F1455 HydrophobicContact CG-CZ 4.19Å; L1439-F1455 HydrophobicContact CD1-CE2 3.87Å; L1439-F1455 HydrophobicContact CD1-CZ 4.13Å; L1439-F1455 HydrophobicContact CD2-CE2 4.05Å; L1439-F1455 HydrophobicContact CD2-CZ 4.34Å; T1451-F1455 HydrophobicContact CG2-CD2 3.86Å; T1451-F1455 HydrophobicContact CG2-CE2 3.55Å; T1451-F1455 WeakPolarHBondContact O-CD2 3.42Å; T1451-F1455 PolarHBondContact O-N 2.79Å; T1451-F1455 VanDerWaalsContact O-N 3.11Å; A1452-F1455 PolarHBondContact O-N 2.71Å; F1455-C1458 PolarHBondContact O-N 2.78Å; F1455-N1459 PolarHBondContact O-N 3.03Å; F1455-N1459 VanDerWaalsContact O-N 3.14Å; F1455-H1460 PolarHBondContact O-N 3.43Å; F1455-L1461 HydrophobicContact CB-CD1 4.09Å; F1455-V1464 HydrophobicContact CB-CG2 4.15Å; F1455-V1464 HydrophobicContact CD1-CG1 4.15Å; F1455-V1464 HydrophobicContact CD2-CB 4.44Å; F1455-V1464 HydrophobicContact CD2-CG1 3.95Å; F1455-V1464 HydrophobicContact CD2-CG2 3.93Å; F1455-V1464 HydrophobicContact CE1-CG1 4.11Å; F1455-V1464 HydrophobicContact CE2-CG1 3.87Å; F1455-V1464 HydrophobicContact CG-CG1 4.1Å; F1455-V1464 HydrophobicContact CG-CG2 4.03Å; F1455-V1464 HydrophobicContact CZ-CG1 3.97Å |
| 1456 | T | 83.8 | Confident | 85.4 | Confident | 69 Ų | 69 | 55.6 Ų | 55.6 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 170.6 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | A1452 F1454 C1458 N1459 | A1452-T1456 WeakPolarHBondContact O-CB 3.15Å; A1452-T1456 PolarHBondContact O-N 3.35Å; A1452-T1456 PolarHBondContact O-OG1 3.44Å; F1454-T1456 PolarHBondContact O-N 2.89Å; T1456-C1458 VanDerWaalsContact C-N 3.27Å; T1456-C1458 PolarHBondContact O-N 3.44Å; T1456-N1459 PolarHBondContact O-N 2.62Å; T1456-N1459 PolarHBondContact O-OD1 2.73Å |
| 1457 | K | 85.7 | Confident | 85.5 | Confident | 189 Ų | 189 | 55.4 Ų | 55.4 | 82% | 0.822 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.4 | -33.4 | 177.4 | -171.9 | 179 | 180 | -178.3 | 0 | 112.6 | A1453 F1454 N1459 | A1453-K1457 WeakPolarHBondContact O-CB 3.3Å; A1453-K1457 PolarHBondContact O-N 3.02Å; F1454-K1457 PolarHBondContact O-N 2.72Å; K1457-N1459 VanDerWaalsContact C-N 3.28Å |
| 1458 | C | 82.7 | Confident | 85.5 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 24% | 0.243 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -5 | 175.1 | -66.5 | 0 | 0 | 0 | 0 | 113.4 | L1428 F1454 F1455 T1456 H1460 | L1428-C1458 HydrophobicContact CD2-CB 4.11Å; F1454-C1458 PolarHBondContact O-N 3.43Å; F1454-C1458 PolarHBondContact O-SG 2.97Å; F1454-C1458 VanDerWaalsContact O-SG 3.39Å; F1455-C1458 PolarHBondContact O-N 2.78Å; T1456-C1458 VanDerWaalsContact C-N 3.27Å; T1456-C1458 PolarHBondContact O-N 3.44Å; C1458-H1460 PolarHBondContact O-CE1 3.48Å; C1458-H1460 PolarHBondContact O-N 3.29Å; C1458-H1460 PolarHBondContact O-ND1 2.78Å |
| 1459 | N | 82.1 | Confident | 85.3 | Confident | 147 Ų | 147 | 57 Ų | 57 | 79% | 0.786 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 29.9 | -172 | -68.8 | -16.4 | 0 | 0 | 0 | 114.6 | F1455 T1456 K1457 | F1455-N1459 PolarHBondContact O-N 3.03Å; F1455-N1459 VanDerWaalsContact O-N 3.14Å; T1456-N1459 PolarHBondContact O-N 2.62Å; T1456-N1459 PolarHBondContact O-OD1 2.73Å; K1457-N1459 VanDerWaalsContact C-N 3.28Å |
| 1460 | H | 83.4 | Confident | 85.2 | Confident | 80 Ų | 80 | 58.4 Ų | 58.4 | 37% | 0.37 | 30% | 0.299 | S | S | . | . | trans | -119.6 | 20.6 | -178.5 | -70.4 | 97.3 | 0 | 0 | 0 | 112.7 | L1428 F1455 C1458 P1462 L1463 | L1428-H1460 HydrophobicContact CD1-CB 3.91Å; F1455-H1460 PolarHBondContact O-N 3.43Å; C1458-H1460 PolarHBondContact O-CE1 3.48Å; C1458-H1460 PolarHBondContact O-N 3.29Å; C1458-H1460 PolarHBondContact O-ND1 2.78Å; H1460-P1462 VanDerWaalsContact C-CD 3.42Å; H1460-L1463 HydrophobicContact CB-CD1 4.06Å; H1460-L1463 WeakPolarHBondContact O-CB 3.26Å; H1460-L1463 PolarHBondContact O-N 3.43Å | ||
| 1461 | L | 83.4 | Confident | 85 | Confident | 21 Ų | 21 | 53.5 Ų | 53.5 | 11% | 0.11 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -55.7 | -38.5 | -178.9 | -165.3 | 70.6 | 0 | 0 | 0 | 114.6 | F1455 L1463 V1464 L1468 A1482 L1486 | F1455-L1461 HydrophobicContact CB-CD1 4.09Å; L1461-L1463 PolarHBondContact O-N 3.01Å; L1461-V1464 HydrophobicContact CD1-CG2 4.25Å; L1461-V1464 WeakPolarHBondContact O-CG2 3.41Å; L1461-V1464 PolarHBondContact O-N 3.06Å; L1461-V1464 VanDerWaalsContact O-N 3.15Å; L1461-L1468 HydrophobicContact CD1-CD1 4.13Å; L1461-L1468 HydrophobicContact CG-CD1 4.4Å; L1461-A1482 HydrophobicContact CD1-CB 4.26Å; L1461-A1482 HydrophobicContact CD2-CB 3.93Å; L1461-L1486 HydrophobicContact CD2-CD1 4.38Å; L1461-L1486 HydrophobicContact CD2-CD2 4.34Å; L1461-L1486 HydrophobicContact CD2-CG 4.15Å; L1461-L1486 HydrophobicContact CG-CD1 4.11Å; L1461-L1486 HydrophobicContact CG-CD2 4.42Å; L1461-L1486 HydrophobicContact CG-CG 4.34Å |
| 1462 | P | 82.4 | Confident | 84.8 | Confident | 71 Ų | 71 | 54.1 Ų | 54.1 | 46% | 0.461 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -60.4 | -30.8 | 178.8 | -23.9 | 32.7 | 0 | 0 | 0 | 114 | H1460 V1464 K1465 L1486 | H1460-P1462 VanDerWaalsContact C-CD 3.42Å; P1462-V1464 PolarHBondContact O-N 2.79Å; P1462-K1465 WeakPolarHBondContact O-CB 3.29Å; P1462-K1465 PolarHBondContact O-N 3.23Å; P1462-L1486 HydrophobicContact CB-CD2 4.01Å; P1462-L1486 HydrophobicContact CG-CD2 3.63Å |
| 1463 | L | 82.6 | Confident | 84.7 | Confident | 69 Ų | 69 | 58.1 Ų | 58.1 | 36% | 0.361 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -64.7 | -26.2 | -179.8 | -77.1 | 159 | 0 | 0 | 0 | 112.5 | N1436 H1460 L1461 | N1436-L1463 PolarHBondContact ND2-O 3.25Å; H1460-L1463 HydrophobicContact CB-CD1 4.06Å; H1460-L1463 WeakPolarHBondContact O-CB 3.26Å; H1460-L1463 PolarHBondContact O-N 3.43Å; L1461-L1463 PolarHBondContact O-N 3.01Å |
| 1464 | V | 86.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -101.2 | 12.7 | -176.2 | -61.6 | 0 | 0 | 0 | 0 | 113.3 | L1435 N1436 L1439 F1455 L1461 P1462 Y1467 L1468 | L1435-V1464 HydrophobicContact CD2-CG1 3.49Å; L1435-V1464 VanDerWaalsContact CD2-CG1 3.49Å; L1435-V1464 HydrophobicContact CG-CG1 4.05Å; N1436-V1464 WeakPolarHBondContact OD1-CA 2.7Å; L1439-V1464 HydrophobicContact CD1-CB 3.94Å; L1439-V1464 HydrophobicContact CD1-CG1 3.44Å; L1439-V1464 VanDerWaalsContact CD1-CG1 3.44Å; F1455-V1464 HydrophobicContact CB-CG2 4.15Å; F1455-V1464 HydrophobicContact CD1-CG1 4.15Å; F1455-V1464 HydrophobicContact CD2-CB 4.44Å; F1455-V1464 HydrophobicContact CD2-CG1 3.95Å; F1455-V1464 HydrophobicContact CD2-CG2 3.93Å; F1455-V1464 HydrophobicContact CE1-CG1 4.11Å; F1455-V1464 HydrophobicContact CE2-CG1 3.87Å; F1455-V1464 HydrophobicContact CG-CG1 4.1Å; F1455-V1464 HydrophobicContact CG-CG2 4.03Å; F1455-V1464 HydrophobicContact CZ-CG1 3.97Å; L1461-V1464 HydrophobicContact CD1-CG2 4.25Å; L1461-V1464 WeakPolarHBondContact O-CG2 3.41Å; L1461-V1464 PolarHBondContact O-N 3.06Å; L1461-V1464 VanDerWaalsContact O-N 3.15Å; P1462-V1464 PolarHBondContact O-N 2.79Å; V1464-Y1467 WeakPolarHBondContact O-CB 3.31Å; V1464-Y1467 PolarHBondContact O-N 3.38Å; V1464-Y1467 VanDerWaalsContact O-N 3.1Å; V1464-L1468 HydrophobicContact CG2-CD1 4.37Å; V1464-L1468 HydrophobicContact CG2-CG 4.37Å; V1464-L1468 WeakPolarHBondContact O-CG 3.35Å; V1464-L1468 PolarHBondContact O-N 2.8Å |
| 1465 | K | 85.1 | Confident | 84.3 | Confident | 25 Ų | 25 | 61.1 Ų | 61.1 | 11% | 0.109 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -53.3 | -44.6 | 178.6 | -176.5 | -178.2 | -174.3 | 179.1 | 0 | 114.2 | P1462 Y1467 L1468 R1469 L1483 L1486 E1490 | P1462-K1465 WeakPolarHBondContact O-CB 3.29Å; P1462-K1465 PolarHBondContact O-N 3.23Å; K1465-Y1467 VanDerWaalsContact C-N 3.29Å; K1465-Y1467 PolarHBondContact O-N 2.99Å; K1465-L1468 PolarHBondContact O-N 2.8Å; K1465-R1469 PolarHBondContact O-N 3.44Å; K1465-L1483 HydrophobicContact CG-CD1 3.98Å; K1465-L1486 HydrophobicContact CB-CD1 4.24Å; K1465-L1486 HydrophobicContact CG-CD1 4.48Å; K1465-E1490 WeakPolarHBondContact CD-OE1 3.44Å; K1465-E1490 IonicContact NZ-OE1 3.39Å; K1465-E1490 PolarHBondContact NZ-OE1 3.11Å; K1465-E1490 IonicContact NZ-OE2 2.72Å; K1465-E1490 PolarHBondContact NZ-OE2 2.98Å |
| 1466 | P | 86.3 | Confident | 84.2 | Confident | 80 Ų | 80 | 62.8 Ų | 62.8 | 52% | 0.519 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.3 | -41.4 | 175.9 | -24.3 | 34 | 0 | 0 | 0 | 112.7 | N1436 M1470 | N1436-P1466 WeakPolarHBondContact OD1-CD 3.47Å; P1466-M1470 PolarHBondContact O-N 3Å; P1466-M1470 VanDerWaalsContact O-N 3.1Å |
| 1467 | Y | 87.2 | Confident | 84.3 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 2% | 0.02 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63 | -49.4 | 174.2 | 167.5 | -105.4 | 0 | 0 | 0 | 111.8 | N1436 L1439 A1443 L1446 H1448 T1451 V1464 K1465 R1469 M1470 V1471 | N1436-Y1467 PolarHBondContact OD1-N 3.39Å; L1439-Y1467 HydrophobicContact CB-CD1 4.25Å; L1439-Y1467 HydrophobicContact CB-CD2 3.41Å; L1439-Y1467 VanDerWaalsContact CB-CD2 3.41Å; L1439-Y1467 HydrophobicContact CB-CE2 3.75Å; L1439-Y1467 HydrophobicContact CB-CG 3.64Å; L1439-Y1467 HydrophobicContact CD1-CD1 3.84Å; L1439-Y1467 HydrophobicContact CD1-CD2 4.46Å; L1439-Y1467 HydrophobicContact CD1-CE1 4.41Å; L1439-Y1467 HydrophobicContact CD1-CG 3.83Å; L1439-Y1467 HydrophobicContact CG-CD2 4.46Å; L1439-Y1467 HydrophobicContact CG-CG 4.31Å; L1439-Y1467 WeakPolarHBondContact O-CE2 3.43Å; A1443-Y1467 HydrophobicContact CB-CE2 4.09Å; L1446-Y1467 VanDerWaalsContact CD2-OH 3.23Å; L1446-Y1467 WeakPolarHBondContact CD2-OH 3.45Å; H1448-Y1467 PolarHBondContact CE1-OH 2.87Å; H1448-Y1467 AromaticContact ND1-CZ 3.77Å; H1448-Y1467 PolarHBondContact ND1-OH 3.38Å; T1451-Y1467 HydrophobicContact CG2-CE1 4.06Å; V1464-Y1467 WeakPolarHBondContact O-CB 3.31Å; V1464-Y1467 PolarHBondContact O-N 3.38Å; V1464-Y1467 VanDerWaalsContact O-N 3.1Å; K1465-Y1467 VanDerWaalsContact C-N 3.29Å; K1465-Y1467 PolarHBondContact O-N 2.99Å; Y1467-R1469 VanDerWaalsContact C-N 3.27Å; Y1467-R1469 PolarHBondContact O-N 3.38Å; Y1467-M1470 HydrophobicContact CD2-CE 4.12Å; Y1467-M1470 HydrophobicContact CE2-CE 4.32Å; Y1467-M1470 WeakPolarHBondContact O-CA 3.25Å; Y1467-M1470 VanDerWaalsContact O-CB 3.31Å; Y1467-M1470 WeakPolarHBondContact O-CB 3.38Å; Y1467-M1470 PolarHBondContact O-N 3.09Å; Y1467-V1471 HydrophobicContact CD1-CG2 4.45Å; Y1467-V1471 HydrophobicContact CD2-CG1 4.21Å; Y1467-V1471 HydrophobicContact CE1-CG2 4.1Å; Y1467-V1471 HydrophobicContact CE2-CG1 3.65Å; Y1467-V1471 HydrophobicContact CE2-CG2 4.37Å; Y1467-V1471 WeakPolarHBondContact O-CG2 3.43Å; Y1467-V1471 PolarHBondContact O-N 3.29Å |
| 1468 | L | 86.7 | Confident | 84.2 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.3 | -41.9 | 179.2 | -65.8 | 175.7 | 0 | 0 | 0 | 111.7 | L1461 V1464 K1465 M1470 V1471 Q1472 I1479 A1482 L1483 L1486 | L1461-L1468 HydrophobicContact CD1-CD1 4.13Å; L1461-L1468 HydrophobicContact CG-CD1 4.4Å; V1464-L1468 HydrophobicContact CG2-CD1 4.37Å; V1464-L1468 HydrophobicContact CG2-CG 4.37Å; V1464-L1468 WeakPolarHBondContact O-CG 3.35Å; V1464-L1468 PolarHBondContact O-N 2.8Å; K1465-L1468 PolarHBondContact O-N 2.8Å; L1468-M1470 VanDerWaalsContact C-N 3.35Å; L1468-M1470 PolarHBondContact O-N 2.95Å; L1468-V1471 PolarHBondContact O-N 3.15Å; L1468-Q1472 WeakPolarHBondContact O-CB 3.37Å; L1468-Q1472 PolarHBondContact O-N 3.07Å; L1468-I1479 HydrophobicContact CB-CG2 4.25Å; L1468-I1479 HydrophobicContact CD2-CG2 4.01Å; L1468-A1482 HydrophobicContact CD1-CB 4.35Å; L1468-L1483 HydrophobicContact CB-CD1 4Å; L1468-L1486 HydrophobicContact CD1-CD1 3.95Å |
| 1469 | R | 84.6 | Confident | 84.3 | Confident | 124 Ų | 124 | 54.4 Ų | 54.4 | 47% | 0.468 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 173.9 | -75.5 | -174.7 | 172 | -179.9 | -2.4 | 113 | K1465 Y1467 Q1472 L1483 D1492 | K1465-R1469 PolarHBondContact O-N 3.44Å; Y1467-R1469 VanDerWaalsContact C-N 3.27Å; Y1467-R1469 PolarHBondContact O-N 3.38Å; R1469-Q1472 WeakPolarHBondContact O-CB 3.27Å; R1469-Q1472 PolarHBondContact O-N 3.31Å; R1469-L1483 HydrophobicContact CG-CD1 4.02Å; R1469-L1483 HydrophobicContact CG-CD2 4.11Å; R1469-D1492 IonicContact NH2-OD2 3.34Å |
| 1470 | M | 84.5 | Confident | 84.5 | Confident | 91 Ų | 91 | 47.5 Ų | 47.5 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 179 | -169.2 | -167.2 | 75.1 | 0 | 0 | 112 | A1440 A1443 P1466 Y1467 L1468 | A1440-M1470 HydrophobicContact CB-CE 4.25Å; A1440-M1470 HydrophobicContact CB-SD 4.01Å; A1443-M1470 HydrophobicContact CB-CE 3.59Å; P1466-M1470 PolarHBondContact O-N 3Å; P1466-M1470 VanDerWaalsContact O-N 3.1Å; Y1467-M1470 HydrophobicContact CD2-CE 4.12Å; Y1467-M1470 HydrophobicContact CE2-CE 4.32Å; Y1467-M1470 WeakPolarHBondContact O-CA 3.25Å; Y1467-M1470 VanDerWaalsContact O-CB 3.31Å; Y1467-M1470 WeakPolarHBondContact O-CB 3.38Å; Y1467-M1470 PolarHBondContact O-N 3.09Å; L1468-M1470 VanDerWaalsContact C-N 3.35Å; L1468-M1470 PolarHBondContact O-N 2.95Å |
| 1471 | V | 84.4 | Confident | 84.6 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -90.2 | -5.8 | -179.2 | -63.9 | 0 | 0 | 0 | 0 | 113.5 | A1443 Y1467 L1468 S1473 Q1474 I1479 | A1443-V1471 HydrophobicContact CB-CG1 4.18Å; Y1467-V1471 HydrophobicContact CD1-CG2 4.45Å; Y1467-V1471 HydrophobicContact CD2-CG1 4.21Å; Y1467-V1471 HydrophobicContact CE1-CG2 4.1Å; Y1467-V1471 HydrophobicContact CE2-CG1 3.65Å; Y1467-V1471 HydrophobicContact CE2-CG2 4.37Å; Y1467-V1471 WeakPolarHBondContact O-CG2 3.43Å; Y1467-V1471 PolarHBondContact O-N 3.29Å; L1468-V1471 PolarHBondContact O-N 3.15Å; V1471-S1473 PolarHBondContact O-N 2.69Å; V1471-S1473 VanDerWaalsContact O-N 3.15Å; V1471-Q1474 WeakPolarHBondContact O-CB 3.08Å; V1471-Q1474 PolarHBondContact O-N 2.63Å; V1471-I1479 HydrophobicContact CB-CD1 4.19Å; V1471-I1479 HydrophobicContact CG2-CD1 3.61Å; V1471-I1479 HydrophobicContact CG2-CG1 4.47Å; V1471-I1479 HydrophobicContact CG2-CG2 4.17Å |
| 1472 | Q | 84 | Confident | 84.7 | Confident | 15 Ų | 15 | 46.5 Ų | 46.5 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -57.1 | -30.2 | 179.3 | -160.2 | 179 | 7.6 | 0 | 0 | 112.8 | L1468 R1469 Q1474 N1475 N1480 L1483 S1499 F1503 | L1468-Q1472 WeakPolarHBondContact O-CB 3.37Å; L1468-Q1472 PolarHBondContact O-N 3.07Å; R1469-Q1472 WeakPolarHBondContact O-CB 3.27Å; R1469-Q1472 PolarHBondContact O-N 3.31Å; Q1472-Q1474 PolarHBondContact O-N 3.3Å; Q1472-N1475 PolarHBondContact O-N 3.24Å; Q1472-N1480 WeakPolarHBondContact CG-OD1 3.48Å; Q1472-L1483 HydrophobicContact CG-CD2 4.32Å; Q1472-S1499 PolarHBondContact NE2-OG 3.23Å; Q1472-F1503 HydrophobicContact CB-CD2 4.47Å; Q1472-F1503 HydrophobicContact CB-CE2 4.12Å; Q1472-F1503 HydrophobicContact CB-CZ 4.33Å; Q1472-F1503 HydrophobicContact CG-CD1 4.41Å; Q1472-F1503 HydrophobicContact CG-CD2 3.44Å; Q1472-F1503 VanDerWaalsContact CG-CD2 3.44Å; Q1472-F1503 HydrophobicContact CG-CE2 3.54Å; Q1472-F1503 HydrophobicContact CG-CG 3.88Å; Q1472-F1503 HydrophobicContact CG-CZ 4.12Å; Q1472-F1503 VanDerWaalsContact O-CD1 3.3Å; Q1472-F1503 WeakPolarHBondContact O-CD1 3.43Å; Q1472-F1503 WeakPolarHBondContact O-CE1 3.12Å |
| 1473 | S | 82.9 | Confident | 84.8 | Confident | 88 Ų | 88 | 43.1 Ų | 43.1 | 62% | 0.615 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -57.8 | -19.1 | 177.1 | 67.7 | 0 | 0 | 0 | 0 | 114.4 | V1471 N1475 | V1471-S1473 PolarHBondContact O-N 2.69Å; V1471-S1473 VanDerWaalsContact O-N 3.15Å; S1473-N1475 PolarHBondContact O-N 3.43Å |
| 1474 | Q | 82.2 | Confident | 85 | Confident | 112 Ų | 112 | 40 Ų | 40 | 52% | 0.523 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -79.8 | -1.4 | 175.1 | -58.3 | -176.1 | 20.1 | 0 | 0 | 113.5 | H1448 V1471 Q1472 N1476 | H1448-Q1474 PolarHBondContact CD2-OE1 2.9Å; H1448-Q1474 PolarHBondContact NE2-NE2 3.21Å; H1448-Q1474 PolarHBondContact NE2-OE1 3.45Å; H1448-Q1474 VanDerWaalsContact NE2-OE1 3.17Å; V1471-Q1474 WeakPolarHBondContact O-CB 3.08Å; V1471-Q1474 PolarHBondContact O-N 2.63Å; Q1472-Q1474 PolarHBondContact O-N 3.3Å; Q1474-N1476 VanDerWaalsContact C-N 3.33Å; Q1474-N1476 PolarHBondContact O-N 2.62Å |
| 1475 | N | 82.7 | Confident | 84.9 | Confident | 55 Ų | 55 | 43.5 Ų | 43.5 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | trans | 48.9 | 49.1 | 178.3 | -162.8 | 20.3 | 0 | 0 | 0 | 113.1 | Q1472 S1473 N1480 F1503 E1504 N1505 | Q1472-N1475 PolarHBondContact O-N 3.24Å; S1473-N1475 PolarHBondContact O-N 3.43Å; N1475-N1480 PolarHBondContact OD1-ND2 3.38Å; N1475-F1503 HydrophobicContact CB-CD1 4.4Å; N1475-F1503 VanDerWaalsContact OD1-C 3.22Å; N1475-F1503 WeakPolarHBondContact OD1-CA 3.49Å; N1475-F1503 WeakPolarHBondContact OD1-CB 3.35Å; N1475-E1504 PolarHBondContact OD1-N 3.02Å; N1475-N1505 VanDerWaalsContact O-CB 3.23Å; N1475-N1505 WeakPolarHBondContact O-CB 3.08Å; N1475-N1505 PolarHBondContact O-ND2 3.43Å; N1475-N1505 VanDerWaalsContact OD1-CB 3.23Å; N1475-N1505 WeakPolarHBondContact OD1-CB 3.23Å; N1475-N1505 PolarHBondContact OD1-N 3Å | ||
| 1476 | N | 84.7 | Confident | 84.9 | Confident | 35 Ų | 35 | 42.4 Ų | 42.4 | 19% | 0.187 | 22% | 0.219 | C | C | . | . | trans | -89.4 | 128.6 | 179.2 | 179.3 | -49.1 | 0 | 0 | 0 | 110.8 | T1449 Q1474 A1478 I1479 N1480 | T1449-N1476 PolarHBondContact OG1-ND2 3.49Å; Q1474-N1476 VanDerWaalsContact C-N 3.33Å; Q1474-N1476 PolarHBondContact O-N 2.62Å; N1476-A1478 PolarHBondContact O-N 3.37Å; N1476-A1478 PolarHBondContact OD1-N 2.9Å; N1476-I1479 HydrophobicContact CB-CB 4.3Å; N1476-I1479 HydrophobicContact CB-CD1 3.58Å; N1476-I1479 HydrophobicContact CB-CG1 3.93Å; N1476-I1479 PolarHBondContact O-N 3.49Å; N1476-I1479 VanDerWaalsContact O-N 3.13Å; N1476-N1480 PolarHBondContact O-N 3.41Å; N1476-N1480 PolarHBondContact O-ND2 3.41Å | ||
| 1477 | K | 85.4 | Confident | 84.8 | Confident | 92 Ų | 92 | 38.7 Ų | 38.7 | 40% | 0.4 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -48 | -52.6 | -179.6 | -176.8 | 168.7 | -177 | 177.8 | 0 | 115.1 | I1479 N1480 E1481 N1505 | K1477-I1479 VanDerWaalsContact C-N 3.29Å; K1477-I1479 PolarHBondContact O-N 3.03Å; K1477-N1480 PolarHBondContact O-N 3.18Å; K1477-E1481 WeakPolarHBondContact CE-OE1 3.24Å; K1477-E1481 HydrophobicContact CG-CG 4.39Å; K1477-E1481 IonicContact NZ-OE1 2.87Å; K1477-E1481 WeakPolarHBondContact O-CB 3.35Å; K1477-E1481 VanDerWaalsContact O-CG 3.29Å; K1477-E1481 WeakPolarHBondContact O-CG 3.49Å; K1477-E1481 PolarHBondContact O-N 3.06Å; K1477-N1505 WeakPolarHBondContact CA-O 3.48Å |
| 1478 | A | 84.2 | Confident | 84.6 | Confident | 27 Ų | 27 | 39.1 Ų | 39.1 | 22% | 0.223 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.6 | -31.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1449 N1476 A1482 | T1449-A1478 HydrophobicContact CG2-CB 3.71Å; N1476-A1478 PolarHBondContact O-N 3.37Å; N1476-A1478 PolarHBondContact OD1-N 2.9Å; A1478-A1482 WeakPolarHBondContact O-CB 3.49Å; A1478-A1482 PolarHBondContact O-N 3.44Å |
| 1479 | I | 85.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.9 | -48.2 | 177.3 | -58.3 | 172.9 | 0 | 0 | 0 | 109.9 | H1448 L1468 V1471 N1476 K1477 A1482 L1483 | H1448-I1479 HydrophobicContact CB-CD1 3.35Å; H1448-I1479 HydrophobicContact CB-CG1 4.01Å; L1468-I1479 HydrophobicContact CB-CG2 4.25Å; L1468-I1479 HydrophobicContact CD2-CG2 4.01Å; V1471-I1479 HydrophobicContact CB-CD1 4.19Å; V1471-I1479 HydrophobicContact CG2-CD1 3.61Å; V1471-I1479 HydrophobicContact CG2-CG1 4.47Å; V1471-I1479 HydrophobicContact CG2-CG2 4.17Å; N1476-I1479 HydrophobicContact CB-CB 4.3Å; N1476-I1479 HydrophobicContact CB-CD1 3.58Å; N1476-I1479 HydrophobicContact CB-CG1 3.93Å; N1476-I1479 PolarHBondContact O-N 3.49Å; N1476-I1479 VanDerWaalsContact O-N 3.13Å; K1477-I1479 VanDerWaalsContact C-N 3.29Å; K1477-I1479 PolarHBondContact O-N 3.03Å; I1479-A1482 PolarHBondContact O-N 2.97Å; I1479-L1483 WeakPolarHBondContact O-CB 3.47Å; I1479-L1483 PolarHBondContact O-N 3.28Å |
| 1480 | N | 86.4 | Confident | 84.3 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 179.8 | -69.4 | -20.3 | 0 | 0 | 0 | 110.6 | Q1472 N1475 N1476 K1477 L1483 N1484 N1505 F1506 | Q1472-N1480 WeakPolarHBondContact CG-OD1 3.48Å; N1475-N1480 PolarHBondContact OD1-ND2 3.38Å; N1476-N1480 PolarHBondContact O-N 3.41Å; N1476-N1480 PolarHBondContact O-ND2 3.41Å; K1477-N1480 PolarHBondContact O-N 3.18Å; N1480-L1483 PolarHBondContact O-N 3.46Å; N1480-N1484 WeakPolarHBondContact O-CB 3.5Å; N1480-N1484 PolarHBondContact O-N 3.47Å; N1480-N1484 PolarHBondContact O-ND2 2.88Å; N1480-N1484 PolarHBondContact O-OD1 3.11Å; N1480-N1505 PolarHBondContact ND2-O 3.46Å; N1480-F1506 HydrophobicContact CB-CB 4.08Å; N1480-F1506 HydrophobicContact CB-CD1 4.34Å |
| 1481 | E | 85.7 | Confident | 84.2 | Confident | 70 Ų | 70 | 45.8 Ų | 45.8 | 33% | 0.327 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.8 | -44.7 | 176.7 | -71.9 | 175.8 | 169.5 | 0 | 0 | 112.2 | K1477 N1484 Q1485 F1506 D1507 | K1477-E1481 WeakPolarHBondContact CE-OE1 3.24Å; K1477-E1481 HydrophobicContact CG-CG 4.39Å; K1477-E1481 IonicContact NZ-OE1 2.87Å; K1477-E1481 WeakPolarHBondContact O-CB 3.35Å; K1477-E1481 VanDerWaalsContact O-CG 3.29Å; K1477-E1481 WeakPolarHBondContact O-CG 3.49Å; K1477-E1481 PolarHBondContact O-N 3.06Å; E1481-N1484 PolarHBondContact O-N 3.2Å; E1481-Q1485 WeakPolarHBondContact O-CG 3.35Å; E1481-Q1485 PolarHBondContact O-N 2.91Å; E1481-F1506 HydrophobicContact CG-CB 3.76Å; E1481-D1507 PolarHBondContact OE1-N 3.34Å; E1481-D1507 VanDerWaalsContact OE1-N 3.1Å |
| 1482 | A | 84.3 | Confident | 84.2 | Confident | 10 Ų | 10 | 48 Ų | 48 | 8% | 0.083 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -44.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1461 L1468 A1478 I1479 L1486 | L1461-A1482 HydrophobicContact CD1-CB 4.26Å; L1461-A1482 HydrophobicContact CD2-CB 3.93Å; L1468-A1482 HydrophobicContact CD1-CB 4.35Å; A1478-A1482 WeakPolarHBondContact O-CB 3.49Å; A1478-A1482 PolarHBondContact O-N 3.44Å; I1479-A1482 PolarHBondContact O-N 2.97Å; A1482-L1486 WeakPolarHBondContact O-CG 3.12Å; A1482-L1486 PolarHBondContact O-N 3.48Å; A1482-L1486 VanDerWaalsContact O-N 3.14Å |
| 1483 | L | 86 | Confident | 84.2 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.7 | -40.4 | 179.1 | -168.8 | 74.2 | 0 | 0 | 0 | 111.4 | K1465 L1468 R1469 Q1472 I1479 N1480 L1486 L1487 | K1465-L1483 HydrophobicContact CG-CD1 3.98Å; L1468-L1483 HydrophobicContact CB-CD1 4Å; R1469-L1483 HydrophobicContact CG-CD1 4.02Å; R1469-L1483 HydrophobicContact CG-CD2 4.11Å; Q1472-L1483 HydrophobicContact CG-CD2 4.32Å; I1479-L1483 WeakPolarHBondContact O-CB 3.47Å; I1479-L1483 PolarHBondContact O-N 3.28Å; N1480-L1483 PolarHBondContact O-N 3.46Å; L1483-L1486 PolarHBondContact O-N 2.97Å; L1483-L1487 HydrophobicContact CD2-CD1 4.34Å; L1483-L1487 HydrophobicContact CG-CD1 4.02Å; L1483-L1487 HydrophobicContact CG-CG 4.45Å; L1483-L1487 VanDerWaalsContact O-CG 3.23Å; L1483-L1487 WeakPolarHBondContact O-CG 3.23Å; L1483-L1487 PolarHBondContact O-N 3.06Å |
| 1484 | N | 85.4 | Confident | 84.2 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.011 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 177.2 | -70.6 | -12.5 | 0 | 0 | 0 | 111 | N1480 E1481 L1486 L1487 I1488 L1496 S1499 L1511 | N1480-N1484 WeakPolarHBondContact O-CB 3.5Å; N1480-N1484 PolarHBondContact O-N 3.47Å; N1480-N1484 PolarHBondContact O-ND2 2.88Å; N1480-N1484 PolarHBondContact O-OD1 3.11Å; E1481-N1484 PolarHBondContact O-N 3.2Å; N1484-L1486 PolarHBondContact O-N 2.72Å; N1484-L1487 PolarHBondContact O-N 3.48Å; N1484-I1488 VanDerWaalsContact O-CG1 3.25Å; N1484-I1488 WeakPolarHBondContact O-CG1 3.48Å; N1484-I1488 PolarHBondContact O-N 3.45Å; N1484-L1496 HydrophobicContact CB-CD1 3.65Å; N1484-L1496 WeakPolarHBondContact OD1-CD1 3.42Å; N1484-S1499 WeakPolarHBondContact OD1-CB 3.37Å; N1484-S1499 PolarHBondContact OD1-OG 3.18Å; N1484-L1511 HydrophobicContact CB-CD1 4.44Å; N1484-L1511 HydrophobicContact CB-CD2 4.45Å |
| 1485 | Q | 84.7 | Confident | 84.2 | Confident | 74 Ų | 74 | 46.8 Ų | 46.8 | 35% | 0.346 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 172.9 | -72.5 | -72.6 | -7.3 | 0 | 0 | 111.8 | E1481 L1487 I1488 E1489 | E1481-Q1485 WeakPolarHBondContact O-CG 3.35Å; E1481-Q1485 PolarHBondContact O-N 2.91Å; Q1485-L1487 VanDerWaalsContact C-N 3.32Å; Q1485-L1487 PolarHBondContact O-N 2.9Å; Q1485-I1488 WeakPolarHBondContact O-CB 3.3Å; Q1485-I1488 PolarHBondContact O-N 3.27Å; Q1485-E1489 WeakPolarHBondContact O-CG 3.33Å; Q1485-E1489 PolarHBondContact O-N 3.49Å |
| 1486 | L | 84.5 | Confident | 84.2 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.8 | -39.6 | 176.5 | -72.5 | 176.8 | 0 | 0 | 0 | 112.6 | L1461 P1462 K1465 L1468 A1482 L1483 N1484 I1488 E1489 E1490 | L1461-L1486 HydrophobicContact CD2-CD1 4.38Å; L1461-L1486 HydrophobicContact CD2-CD2 4.34Å; L1461-L1486 HydrophobicContact CD2-CG 4.15Å; L1461-L1486 HydrophobicContact CG-CD1 4.11Å; L1461-L1486 HydrophobicContact CG-CD2 4.42Å; L1461-L1486 HydrophobicContact CG-CG 4.34Å; P1462-L1486 HydrophobicContact CB-CD2 4.01Å; P1462-L1486 HydrophobicContact CG-CD2 3.63Å; K1465-L1486 HydrophobicContact CB-CD1 4.24Å; K1465-L1486 HydrophobicContact CG-CD1 4.48Å; L1468-L1486 HydrophobicContact CD1-CD1 3.95Å; A1482-L1486 WeakPolarHBondContact O-CG 3.12Å; A1482-L1486 PolarHBondContact O-N 3.48Å; A1482-L1486 VanDerWaalsContact O-N 3.14Å; L1483-L1486 PolarHBondContact O-N 2.97Å; N1484-L1486 PolarHBondContact O-N 2.72Å; L1486-I1488 VanDerWaalsContact C-N 3.33Å; L1486-E1489 PolarHBondContact O-N 3.24Å; L1486-E1490 WeakPolarHBondContact O-CB 3.48Å; L1486-E1490 WeakPolarHBondContact O-CG 3.36Å; L1486-E1490 PolarHBondContact O-N 2.87Å |
| 1487 | L | 84.9 | Confident | 84 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.6 | -31.4 | 178.3 | -67.7 | 166.3 | 0 | 0 | 0 | 112.1 | L1483 N1484 Q1485 E1491 D1492 L1496 | L1483-L1487 HydrophobicContact CD2-CD1 4.34Å; L1483-L1487 HydrophobicContact CG-CD1 4.02Å; L1483-L1487 HydrophobicContact CG-CG 4.45Å; L1483-L1487 VanDerWaalsContact O-CG 3.23Å; L1483-L1487 WeakPolarHBondContact O-CG 3.23Å; L1483-L1487 PolarHBondContact O-N 3.06Å; N1484-L1487 PolarHBondContact O-N 3.48Å; Q1485-L1487 VanDerWaalsContact C-N 3.32Å; Q1485-L1487 PolarHBondContact O-N 2.9Å; L1487-E1491 PolarHBondContact O-N 2.58Å; L1487-D1492 HydrophobicContact CD2-CB 4.03Å; L1487-D1492 PolarHBondContact O-N 3.28Å; L1487-L1496 HydrophobicContact CB-CB 4.19Å; L1487-L1496 HydrophobicContact CB-CD1 4.41Å |
| 1488 | I | 83.6 | Confident | 83.8 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.7 | -48 | 171.6 | -67 | 163.8 | 0 | 0 | 0 | 110.4 | N1484 Q1485 L1486 E1490 E1491 L1496 L1511 L1515 F1523 | N1484-I1488 VanDerWaalsContact O-CG1 3.25Å; N1484-I1488 WeakPolarHBondContact O-CG1 3.48Å; N1484-I1488 PolarHBondContact O-N 3.45Å; Q1485-I1488 WeakPolarHBondContact O-CB 3.3Å; Q1485-I1488 PolarHBondContact O-N 3.27Å; L1486-I1488 VanDerWaalsContact C-N 3.33Å; I1488-E1490 VanDerWaalsContact C-N 3.26Å; I1488-E1490 PolarHBondContact O-N 2.83Å; I1488-E1491 PolarHBondContact O-N 2.85Å; I1488-L1496 HydrophobicContact CG1-CD2 3.93Å; I1488-L1511 HydrophobicContact CD1-CD1 3.47Å; I1488-L1511 VanDerWaalsContact CD1-CD1 3.47Å; I1488-L1515 HydrophobicContact CD1-CD2 3.9Å; I1488-L1515 HydrophobicContact CG1-CD2 3.94Å; I1488-F1523 HydrophobicContact CG1-CE1 4.29Å |
| 1489 | E | 82.2 | Confident | 83.7 | Confident | 140 Ų | 140 | 46 Ų | 46 | 65% | 0.654 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -61.2 | -33.1 | 178.8 | -72.4 | 178.4 | 178 | 0 | 0 | 112.9 | Q1485 L1486 E1491 | Q1485-E1489 WeakPolarHBondContact O-CG 3.33Å; Q1485-E1489 PolarHBondContact O-N 3.49Å; L1486-E1489 PolarHBondContact O-N 3.24Å; E1489-E1491 VanDerWaalsContact C-N 3.34Å |
| 1490 | E | 82.7 | Confident | 83.5 | Confident | 101 Ų | 101 | 46.6 Ų | 46.6 | 47% | 0.472 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -1.4 | 175.8 | -70.7 | -178.9 | -149.9 | 0 | 0 | 114.3 | K1465 L1486 I1488 D1492 | K1465-E1490 WeakPolarHBondContact CD-OE1 3.44Å; K1465-E1490 IonicContact NZ-OE1 3.39Å; K1465-E1490 PolarHBondContact NZ-OE1 3.11Å; K1465-E1490 IonicContact NZ-OE2 2.72Å; K1465-E1490 PolarHBondContact NZ-OE2 2.98Å; L1486-E1490 WeakPolarHBondContact O-CB 3.48Å; L1486-E1490 WeakPolarHBondContact O-CG 3.36Å; L1486-E1490 PolarHBondContact O-N 2.87Å; I1488-E1490 VanDerWaalsContact C-N 3.26Å; I1488-E1490 PolarHBondContact O-N 2.83Å; E1490-D1492 PolarHBondContact O-N 2.94Å |
| 1491 | E | 82.4 | Confident | 83.2 | Confident | 117 Ų | 117 | 50.2 Ų | 50.2 | 55% | 0.547 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 22.8 | -174.3 | -56.4 | -176.7 | 163.8 | 0 | 0 | 114.8 | L1487 I1488 E1489 Y1493 L1520 F1523 | L1487-E1491 PolarHBondContact O-N 2.58Å; I1488-E1491 PolarHBondContact O-N 2.85Å; E1489-E1491 VanDerWaalsContact C-N 3.34Å; E1491-Y1493 PolarHBondContact O-N 2.81Å; E1491-Y1493 VanDerWaalsContact O-N 3.07Å; E1491-L1520 HydrophobicContact CB-CD1 3.96Å; E1491-L1520 HydrophobicContact CG-CD1 4.1Å; E1491-F1523 VanDerWaalsContact C-CZ 3.5Å; E1491-F1523 HydrophobicContact CB-CE2 4.2Å |
| 1492 | D | 84.8 | Confident | 82.9 | Confident | 49 Ų | 49 | 49.8 Ų | 49.8 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | trans | -83.6 | 77.4 | 179.5 | -175.6 | 8.9 | 0 | 0 | 0 | 112 | R1469 L1487 E1490 A1494 G1495 L1496 | R1469-D1492 IonicContact NH2-OD2 3.34Å; L1487-D1492 HydrophobicContact CD2-CB 4.03Å; L1487-D1492 PolarHBondContact O-N 3.28Å; E1490-D1492 PolarHBondContact O-N 2.94Å; D1492-A1494 VanDerWaalsContact C-N 3.29Å; D1492-A1494 PolarHBondContact O-N 3.36Å; D1492-G1495 PolarHBondContact O-N 2.73Å; D1492-G1495 PolarHBondContact OD1-N 2.73Å; D1492-L1496 WeakPolarHBondContact O-CB 3.47Å; D1492-L1496 PolarHBondContact O-N 3.36Å | ||
| 1493 | Y | 82 | Confident | 82.7 | Confident | 119 Ų | 119 | 51.4 Ų | 51.4 | 47% | 0.467 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.7 | -32.7 | 179.6 | 66.5 | -91.6 | 0 | 0 | 0 | 113.2 | E1491 R1497 E1522 I1526 | E1491-Y1493 PolarHBondContact O-N 2.81Å; E1491-Y1493 VanDerWaalsContact O-N 3.07Å; Y1493-R1497 WeakPolarHBondContact O-CB 3.43Å; Y1493-R1497 PolarHBondContact O-N 3.07Å; Y1493-E1522 HydrophobicContact CD1-CB 4.4Å; Y1493-E1522 HydrophobicContact CD2-CB 3.99Å; Y1493-E1522 HydrophobicContact CD2-CG 4.31Å; Y1493-E1522 HydrophobicContact CE2-CG 4.36Å; Y1493-E1522 HydrophobicContact CG-CB 3.92Å; Y1493-E1522 HydrophobicContact CG-CG 4.49Å; Y1493-I1526 WeakPolarHBondContact O-CD1 3.48Å |
| 1494 | A | 83.6 | Confident | 82.3 | Confident | 55 Ų | 55 | 58.5 Ų | 58.5 | 46% | 0.455 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -72 | -44.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | D1492 L1496 R1497 A1498 | D1492-A1494 VanDerWaalsContact C-N 3.29Å; D1492-A1494 PolarHBondContact O-N 3.36Å; A1494-L1496 VanDerWaalsContact C-N 3.35Å; A1494-R1497 PolarHBondContact O-N 2.94Å; A1494-A1498 PolarHBondContact O-N 3.45Å |
| 1495 | G | 82.7 | Confident | 82 | Confident | 17 Ų | 17 | 62 Ų | 62 | 18% | 0.175 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1492 A1498 S1499 | D1492-G1495 PolarHBondContact O-N 2.73Å; D1492-G1495 PolarHBondContact OD1-N 2.73Å; G1495-A1498 PolarHBondContact O-N 2.93Å; G1495-S1499 VanDerWaalsContact O-CB 3.29Å; G1495-S1499 WeakPolarHBondContact O-CB 3.44Å; G1495-S1499 PolarHBondContact O-N 3.36Å |
| 1496 | L | 83.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 176.7 | -176.7 | 65 | 0 | 0 | 0 | 111.6 | N1484 L1487 I1488 D1492 A1494 S1499 I1500 L1511 L1515 F1523 I1526 | N1484-L1496 HydrophobicContact CB-CD1 3.65Å; N1484-L1496 WeakPolarHBondContact OD1-CD1 3.42Å; L1487-L1496 HydrophobicContact CB-CB 4.19Å; L1487-L1496 HydrophobicContact CB-CD1 4.41Å; I1488-L1496 HydrophobicContact CG1-CD2 3.93Å; D1492-L1496 WeakPolarHBondContact O-CB 3.47Å; D1492-L1496 PolarHBondContact O-N 3.36Å; A1494-L1496 VanDerWaalsContact C-N 3.35Å; L1496-S1499 WeakPolarHBondContact O-CB 3.06Å; L1496-S1499 PolarHBondContact O-N 3.22Å; L1496-I1500 HydrophobicContact CD1-CD1 4.11Å; L1496-I1500 HydrophobicContact CD1-CG1 4.39Å; L1496-I1500 HydrophobicContact CD2-CD1 4.36Å; L1496-I1500 HydrophobicContact CG-CD1 3.77Å; L1496-I1500 HydrophobicContact CG-CG1 4.46Å; L1496-I1500 WeakPolarHBondContact O-CB 3.04Å; L1496-I1500 WeakPolarHBondContact O-CD1 3.49Å; L1496-I1500 VanDerWaalsContact O-CG1 3.24Å; L1496-I1500 WeakPolarHBondContact O-CG1 3.19Å; L1496-I1500 PolarHBondContact O-N 3.18Å; L1496-L1511 HydrophobicContact CD1-CD2 4.5Å; L1496-L1515 HydrophobicContact CD2-CD1 3.95Å; L1496-L1515 HydrophobicContact CD2-CD2 4.39Å; L1496-F1523 HydrophobicContact CB-CE1 4.38Å; L1496-F1523 HydrophobicContact CD2-CD1 3.76Å; L1496-F1523 HydrophobicContact CD2-CE1 3.56Å; L1496-I1526 HydrophobicContact CB-CD1 4.38Å; L1496-I1526 HydrophobicContact CD2-CD1 4.15Å; L1496-I1526 HydrophobicContact CD2-CG2 4.19Å; L1496-I1526 HydrophobicContact CG-CD1 4.46Å |
| 1497 | R | 79.8 | Confident | 81.8 | Confident | 129 Ų | 129 | 62.4 Ų | 62.4 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 177.7 | -171.2 | 171.6 | -175.2 | 168.9 | 3.6 | 112 | Y1493 A1494 S1499 I1500 D1501 I1526 | Y1493-R1497 WeakPolarHBondContact O-CB 3.43Å; Y1493-R1497 PolarHBondContact O-N 3.07Å; A1494-R1497 PolarHBondContact O-N 2.94Å; R1497-S1499 VanDerWaalsContact C-N 3.29Å; R1497-S1499 PolarHBondContact O-N 3.03Å; R1497-I1500 PolarHBondContact O-N 3.07Å; R1497-D1501 WeakPolarHBondContact O-CB 3.37Å; R1497-D1501 VanDerWaalsContact O-CG 3.28Å; R1497-D1501 PolarHBondContact O-N 2.92Å; R1497-I1526 HydrophobicContact CB-CD1 4.35Å |
| 1498 | A | 82.1 | Confident | 81.6 | Confident | 60 Ų | 60 | 64.2 Ų | 64.2 | 50% | 0.496 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.5 | -36.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1494 G1495 A1502 | A1494-A1498 PolarHBondContact O-N 3.45Å; G1495-A1498 PolarHBondContact O-N 2.93Å; A1498-A1502 VanDerWaalsContact O-CB 3.29Å; A1498-A1502 WeakPolarHBondContact O-CB 3.36Å; A1498-A1502 PolarHBondContact O-N 3.37Å; A1498-A1502 VanDerWaalsContact O-N 3.16Å |
| 1499 | S | 81.9 | Confident | 81.3 | Confident | 4 Ų | 4 | 66 Ų | 66 | 3% | 0.028 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 174.6 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | Q1472 N1484 G1495 L1496 R1497 F1503 | Q1472-S1499 PolarHBondContact NE2-OG 3.23Å; N1484-S1499 WeakPolarHBondContact OD1-CB 3.37Å; N1484-S1499 PolarHBondContact OD1-OG 3.18Å; G1495-S1499 VanDerWaalsContact O-CB 3.29Å; G1495-S1499 WeakPolarHBondContact O-CB 3.44Å; G1495-S1499 PolarHBondContact O-N 3.36Å; L1496-S1499 WeakPolarHBondContact O-CB 3.06Å; L1496-S1499 PolarHBondContact O-N 3.22Å; R1497-S1499 VanDerWaalsContact C-N 3.29Å; R1497-S1499 PolarHBondContact O-N 3.03Å; S1499-F1503 PolarHBondContact O-N 3.37Å |
| 1500 | I | 81.2 | Confident | 81.2 | Confident | 11 Ų | 11 | 61.4 Ų | 61.4 | 6% | 0.056 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 178.5 | -71.3 | 165.5 | 0 | 0 | 0 | 111.4 | L1496 R1497 A1502 F1506 L1511 I1526 Y1529 L1530 | L1496-I1500 HydrophobicContact CD1-CD1 4.11Å; L1496-I1500 HydrophobicContact CD1-CG1 4.39Å; L1496-I1500 HydrophobicContact CD2-CD1 4.36Å; L1496-I1500 HydrophobicContact CG-CD1 3.77Å; L1496-I1500 HydrophobicContact CG-CG1 4.46Å; L1496-I1500 WeakPolarHBondContact O-CB 3.04Å; L1496-I1500 WeakPolarHBondContact O-CD1 3.49Å; L1496-I1500 VanDerWaalsContact O-CG1 3.24Å; L1496-I1500 WeakPolarHBondContact O-CG1 3.19Å; L1496-I1500 PolarHBondContact O-N 3.18Å; R1497-I1500 PolarHBondContact O-N 3.07Å; I1500-A1502 VanDerWaalsContact C-N 3.32Å; I1500-A1502 PolarHBondContact O-N 3.22Å; I1500-F1506 HydrophobicContact CB-CE1 4.5Å; I1500-F1506 HydrophobicContact CB-CZ 4.08Å; I1500-F1506 HydrophobicContact CG1-CE1 4.29Å; I1500-F1506 HydrophobicContact CG1-CE2 4.29Å; I1500-F1506 HydrophobicContact CG1-CZ 3.66Å; I1500-F1506 HydrophobicContact CG2-CZ 3.96Å; I1500-L1511 HydrophobicContact CD1-CD2 3.99Å; I1500-L1511 HydrophobicContact CG1-CD2 4.24Å; I1500-I1526 HydrophobicContact CD1-CG2 3.39Å; I1500-Y1529 HydrophobicContact CG2-CD1 4.47Å; I1500-Y1529 HydrophobicContact CG2-CE1 4.18Å; I1500-L1530 HydrophobicContact CD1-CD1 4.03Å; I1500-L1530 HydrophobicContact CD1-CD2 4.07Å; I1500-L1530 HydrophobicContact CD1-CG 4.22Å; I1500-L1530 HydrophobicContact CG1-CD2 4.31Å; I1500-L1530 HydrophobicContact CG2-CD2 3.62Å |
| 1501 | D | 79.1 | Confident | 81.1 | Confident | 78 Ų | 78 | 57.1 Ų | 57.1 | 42% | 0.417 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.1 | -31.6 | -176.4 | -71.3 | -25 | 0 | 0 | 0 | 112.4 | R1497 Y1529 | R1497-D1501 WeakPolarHBondContact O-CB 3.37Å; R1497-D1501 VanDerWaalsContact O-CG 3.28Å; R1497-D1501 PolarHBondContact O-N 2.92Å; D1501-Y1529 WeakPolarHBondContact OD1-CE1 3.46Å; D1501-Y1529 VanDerWaalsContact OD1-CZ 3.24Å; D1501-Y1529 PolarHBondContact OD1-OH 3.46Å |
| 1502 | A | 79.4 | Confident | 80.9 | Confident | 61 Ų | 61 | 51.6 Ų | 51.6 | 50% | 0.504 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -90.2 | -27.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1498 I1500 | A1498-A1502 VanDerWaalsContact O-CB 3.29Å; A1498-A1502 WeakPolarHBondContact O-CB 3.36Å; A1498-A1502 PolarHBondContact O-N 3.37Å; A1498-A1502 VanDerWaalsContact O-N 3.16Å; I1500-A1502 VanDerWaalsContact C-N 3.32Å; I1500-A1502 PolarHBondContact O-N 3.22Å |
| 1503 | F | 80.2 | Confident | 80.6 | Confident | 43 Ų | 43 | 54.5 Ų | 54.5 | 19% | 0.189 | 30% | 0.297 | C | S | . | . | trans | -137.3 | 87.5 | -167.1 | -52.8 | -65.8 | 0 | 0 | 0 | 112.7 | Q1472 N1475 S1499 N1505 F1506 | Q1472-F1503 HydrophobicContact CB-CD2 4.47Å; Q1472-F1503 HydrophobicContact CB-CE2 4.12Å; Q1472-F1503 HydrophobicContact CB-CZ 4.33Å; Q1472-F1503 HydrophobicContact CG-CD1 4.41Å; Q1472-F1503 HydrophobicContact CG-CD2 3.44Å; Q1472-F1503 VanDerWaalsContact CG-CD2 3.44Å; Q1472-F1503 HydrophobicContact CG-CE2 3.54Å; Q1472-F1503 HydrophobicContact CG-CG 3.88Å; Q1472-F1503 HydrophobicContact CG-CZ 4.12Å; Q1472-F1503 VanDerWaalsContact O-CD1 3.3Å; Q1472-F1503 WeakPolarHBondContact O-CD1 3.43Å; Q1472-F1503 WeakPolarHBondContact O-CE1 3.12Å; N1475-F1503 HydrophobicContact CB-CD1 4.4Å; N1475-F1503 VanDerWaalsContact OD1-C 3.22Å; N1475-F1503 WeakPolarHBondContact OD1-CA 3.49Å; N1475-F1503 WeakPolarHBondContact OD1-CB 3.35Å; S1499-F1503 PolarHBondContact O-N 3.37Å; F1503-N1505 VanDerWaalsContact C-N 3.31Å; F1503-N1505 PolarHBondContact O-N 3.35Å; F1503-F1506 WeakPolarHBondContact O-CD1 3.32Å; F1503-F1506 WeakPolarHBondContact O-CE1 3.32Å | ||
| 1504 | E | 77.3 | Confident | 80.5 | Confident | 150 Ų | 150 | 53 Ų | 53 | 70% | 0.701 | 29% | 0.294 | S | S | * | . | trans | -72.1 | -11.9 | -170 | -59.8 | 178.2 | 179.2 | 0 | 0 | 116 | N1475 F1506 | N1475-E1504 PolarHBondContact OD1-N 3.02Å; E1504-F1506 PolarHBondContact O-N 2.85Å | ||
| 1505 | N | 80.6 | Confident | 80.3 | Confident | 75 Ų | 75 | 50.4 Ų | 50.4 | 40% | 0.401 | 27% | 0.273 | S | S | . | . | trans | -83.9 | 81.8 | -173.8 | -169 | 14.5 | 0 | 0 | 0 | 110.4 | N1475 K1477 N1480 F1503 | N1475-N1505 VanDerWaalsContact O-CB 3.23Å; N1475-N1505 WeakPolarHBondContact O-CB 3.08Å; N1475-N1505 PolarHBondContact O-ND2 3.43Å; N1475-N1505 VanDerWaalsContact OD1-CB 3.23Å; N1475-N1505 WeakPolarHBondContact OD1-CB 3.23Å; N1475-N1505 PolarHBondContact OD1-N 3Å; K1477-N1505 WeakPolarHBondContact CA-O 3.48Å; N1480-N1505 PolarHBondContact ND2-O 3.46Å; F1503-N1505 VanDerWaalsContact C-N 3.31Å; F1503-N1505 PolarHBondContact O-N 3.35Å | ||
| 1506 | F | 82 | Confident | 79.9 | Confident | 16 Ų | 16 | 52.8 Ų | 52.8 | 7% | 0.07 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -156.7 | 168.8 | 169.2 | 58.8 | -85.7 | 0 | 0 | 0 | 110.1 | N1480 E1481 I1500 F1503 E1504 N1508 L1511 L1530 | N1480-F1506 HydrophobicContact CB-CB 4.08Å; N1480-F1506 HydrophobicContact CB-CD1 4.34Å; E1481-F1506 HydrophobicContact CG-CB 3.76Å; I1500-F1506 HydrophobicContact CB-CE1 4.5Å; I1500-F1506 HydrophobicContact CB-CZ 4.08Å; I1500-F1506 HydrophobicContact CG1-CE1 4.29Å; I1500-F1506 HydrophobicContact CG1-CE2 4.29Å; I1500-F1506 HydrophobicContact CG1-CZ 3.66Å; I1500-F1506 HydrophobicContact CG2-CZ 3.96Å; F1503-F1506 WeakPolarHBondContact O-CD1 3.32Å; F1503-F1506 WeakPolarHBondContact O-CE1 3.32Å; E1504-F1506 PolarHBondContact O-N 2.85Å; F1506-N1508 VanDerWaalsContact C-N 3.35Å; F1506-N1508 WeakPolarHBondContact CD2-OD1 3.46Å; F1506-N1508 HydrophobicContact CE2-CB 4.45Å; F1506-N1508 WeakPolarHBondContact CE2-OD1 3.4Å; F1506-N1508 WeakPolarHBondContact CZ-OD1 3.3Å; F1506-N1508 PolarHBondContact O-N 2.9Å; F1506-L1511 HydrophobicContact CD2-CD2 3.91Å; F1506-L1511 HydrophobicContact CE2-CB 4.44Å; F1506-L1511 HydrophobicContact CE2-CD2 3.47Å; F1506-L1511 VanDerWaalsContact CE2-CD2 3.47Å; F1506-L1511 HydrophobicContact CZ-CD2 4.34Å; F1506-L1530 HydrophobicContact CE2-CD2 3.93Å; F1506-L1530 HydrophobicContact CZ-CD2 3.91Å |
| 1507 | D | 82.3 | Confident | 79.4 | Confident | 70 Ų | 70 | 60 Ų | 60 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | trans | -74.2 | 87.2 | 174.7 | -163.3 | -30.7 | 0 | 0 | 0 | 112 | E1481 I1509 A1510 L1511 | E1481-D1507 PolarHBondContact OE1-N 3.34Å; E1481-D1507 VanDerWaalsContact OE1-N 3.1Å; D1507-I1509 PolarHBondContact O-N 2.55Å; D1507-I1509 PolarHBondContact OD1-N 2.64Å; D1507-A1510 HydrophobicContact CB-CB 3.94Å; D1507-A1510 PolarHBondContact O-N 2.95Å; D1507-A1510 PolarHBondContact OD1-N 3.21Å; D1507-L1511 WeakPolarHBondContact O-CB 3.39Å; D1507-L1511 PolarHBondContact O-N 3.23Å | ||
| 1508 | N | 80.3 | Confident | 79.2 | Confident | 41 Ų | 41 | 55.7 Ų | 55.7 | 22% | 0.219 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -52.9 | -37.9 | 178.7 | -69.6 | -17.5 | 0 | 0 | 0 | 113.1 | F1506 A1512 N1534 | F1506-N1508 VanDerWaalsContact C-N 3.35Å; F1506-N1508 WeakPolarHBondContact CD2-OD1 3.46Å; F1506-N1508 HydrophobicContact CE2-CB 4.45Å; F1506-N1508 WeakPolarHBondContact CE2-OD1 3.4Å; F1506-N1508 WeakPolarHBondContact CZ-OD1 3.3Å; F1506-N1508 PolarHBondContact O-N 2.9Å; N1508-A1512 VanDerWaalsContact O-CB 3.32Å; N1508-A1512 WeakPolarHBondContact O-CB 3.45Å; N1508-A1512 PolarHBondContact O-N 3.44Å; N1508-N1534 WeakPolarHBondContact CB-ND2 3.43Å; N1508-N1534 PolarHBondContact ND2-OD1 3.17Å |
| 1509 | I | 77.7 | Confident | 78.9 | Confident | 50 Ų | 50 | 61.5 Ų | 61.5 | 26% | 0.256 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -76.2 | -45.2 | -175.6 | -60 | 178.4 | 0 | 0 | 0 | 110.1 | D1507 L1511 A1512 Q1513 N1534 | D1507-I1509 PolarHBondContact O-N 2.55Å; D1507-I1509 PolarHBondContact OD1-N 2.64Å; I1509-L1511 VanDerWaalsContact C-N 3.3Å; I1509-L1511 PolarHBondContact O-N 3.16Å; I1509-A1512 PolarHBondContact O-N 2.99Å; I1509-Q1513 WeakPolarHBondContact O-CG 3.35Å; I1509-Q1513 PolarHBondContact O-N 3.17Å; I1509-N1534 VanDerWaalsContact CG1-ND2 3.28Å; I1509-N1534 WeakPolarHBondContact CG1-ND2 3.44Å |
| 1510 | A | 79.8 | Confident | 78.6 | Confident | 44 Ų | 44 | 64.5 Ų | 64.5 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D1507 Q1513 Q1514 | D1507-A1510 HydrophobicContact CB-CB 3.94Å; D1507-A1510 PolarHBondContact O-N 2.95Å; D1507-A1510 PolarHBondContact OD1-N 3.21Å; A1510-Q1513 PolarHBondContact O-N 3.13Å; A1510-Q1514 PolarHBondContact O-N 2.97Å |
| 1511 | L | 81.2 | Confident | 78.2 | Confident | 11 Ų | 11 | 69.8 Ų | 69.8 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 175.9 | -171.7 | 65 | 0 | 0 | 0 | 111.6 | N1484 I1488 L1496 I1500 F1506 D1507 I1509 Q1513 Q1514 L1515 L1530 | N1484-L1511 HydrophobicContact CB-CD1 4.44Å; N1484-L1511 HydrophobicContact CB-CD2 4.45Å; I1488-L1511 HydrophobicContact CD1-CD1 3.47Å; I1488-L1511 VanDerWaalsContact CD1-CD1 3.47Å; L1496-L1511 HydrophobicContact CD1-CD2 4.5Å; I1500-L1511 HydrophobicContact CD1-CD2 3.99Å; I1500-L1511 HydrophobicContact CG1-CD2 4.24Å; F1506-L1511 HydrophobicContact CD2-CD2 3.91Å; F1506-L1511 HydrophobicContact CE2-CB 4.44Å; F1506-L1511 HydrophobicContact CE2-CD2 3.47Å; F1506-L1511 VanDerWaalsContact CE2-CD2 3.47Å; F1506-L1511 HydrophobicContact CZ-CD2 4.34Å; D1507-L1511 WeakPolarHBondContact O-CB 3.39Å; D1507-L1511 PolarHBondContact O-N 3.23Å; I1509-L1511 VanDerWaalsContact C-N 3.3Å; I1509-L1511 PolarHBondContact O-N 3.16Å; L1511-Q1513 PolarHBondContact O-N 2.94Å; L1511-Q1514 PolarHBondContact O-N 3.27Å; L1511-L1515 HydrophobicContact CD1-CD1 4.33Å; L1511-L1515 HydrophobicContact CG-CD1 4.01Å; L1511-L1515 VanDerWaalsContact O-CG 3.25Å; L1511-L1515 WeakPolarHBondContact O-CG 3.45Å; L1511-L1515 PolarHBondContact O-N 3.48Å; L1511-L1515 VanDerWaalsContact O-N 3.07Å; L1511-L1530 HydrophobicContact CB-CD1 4.08Å; L1511-L1530 HydrophobicContact CD2-CD1 3.68Å; L1511-L1530 HydrophobicContact CG-CD1 3.78Å |
| 1512 | A | 76.8 | Confident | 78 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1508 I1509 Q1514 L1515 E1516 S1527 L1530 Y1531 | N1508-A1512 VanDerWaalsContact O-CB 3.32Å; N1508-A1512 WeakPolarHBondContact O-CB 3.45Å; N1508-A1512 PolarHBondContact O-N 3.44Å; I1509-A1512 PolarHBondContact O-N 2.99Å; A1512-Q1514 VanDerWaalsContact C-N 3.33Å; A1512-Q1514 PolarHBondContact O-N 2.98Å; A1512-L1515 PolarHBondContact O-N 3.42Å; A1512-E1516 PolarHBondContact O-N 3.38Å; A1512-S1527 PolarHBondContact O-OG 2.83Å; A1512-L1530 HydrophobicContact CB-CB 3.89Å; A1512-L1530 HydrophobicContact CB-CD1 4.33Å; A1512-Y1531 HydrophobicContact CB-CD1 4.1Å; A1512-Y1531 HydrophobicContact CB-CD2 3.96Å; A1512-Y1531 HydrophobicContact CB-CE1 3.8Å; A1512-Y1531 HydrophobicContact CB-CE2 3.67Å; A1512-Y1531 HydrophobicContact CB-CG 4.16Å |
| 1513 | Q | 80.3 | Confident | 78 | Confident | 110 Ų | 110 | 66.5 Ų | 66.5 | 51% | 0.514 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 176 | -74.2 | 179 | -16.2 | 0 | 0 | 112.5 | I1509 A1510 L1511 L1515 Y1531 | I1509-Q1513 WeakPolarHBondContact O-CG 3.35Å; I1509-Q1513 PolarHBondContact O-N 3.17Å; A1510-Q1513 PolarHBondContact O-N 3.13Å; L1511-Q1513 PolarHBondContact O-N 2.94Å; Q1513-L1515 VanDerWaalsContact C-N 3.31Å; Q1513-L1515 PolarHBondContact O-N 3.26Å; Q1513-Y1531 VanDerWaalsContact CG-OH 3.28Å; Q1513-Y1531 WeakPolarHBondContact CG-OH 3.44Å |
| 1514 | Q | 79.8 | Confident | 77.8 | Confident | 89 Ų | 89 | 69.7 Ų | 69.7 | 42% | 0.416 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.5 | -34.5 | 177.1 | -171.1 | 176.7 | -6.7 | 0 | 0 | 111.9 | A1510 L1511 A1512 | A1510-Q1514 PolarHBondContact O-N 2.97Å; L1511-Q1514 PolarHBondContact O-N 3.27Å; A1512-Q1514 VanDerWaalsContact C-N 3.33Å; A1512-Q1514 PolarHBondContact O-N 2.98Å |
| 1515 | L | 79.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -87.3 | -19.8 | -176.2 | -66.1 | 176.6 | 0 | 0 | 0 | 114.4 | I1488 L1496 L1511 A1512 Q1513 H1517 H1518 F1523 I1526 L1530 | I1488-L1515 HydrophobicContact CD1-CD2 3.9Å; I1488-L1515 HydrophobicContact CG1-CD2 3.94Å; L1496-L1515 HydrophobicContact CD2-CD1 3.95Å; L1496-L1515 HydrophobicContact CD2-CD2 4.39Å; L1511-L1515 HydrophobicContact CD1-CD1 4.33Å; L1511-L1515 HydrophobicContact CG-CD1 4.01Å; L1511-L1515 VanDerWaalsContact O-CG 3.25Å; L1511-L1515 WeakPolarHBondContact O-CG 3.45Å; L1511-L1515 PolarHBondContact O-N 3.48Å; L1511-L1515 VanDerWaalsContact O-N 3.07Å; A1512-L1515 PolarHBondContact O-N 3.42Å; Q1513-L1515 VanDerWaalsContact C-N 3.31Å; Q1513-L1515 PolarHBondContact O-N 3.26Å; L1515-H1517 PolarHBondContact O-N 3.34Å; L1515-H1517 VanDerWaalsContact O-N 3.15Å; L1515-H1518 WeakPolarHBondContact O-CB 3.15Å; L1515-H1518 PolarHBondContact O-N 3.06Å; L1515-H1518 VanDerWaalsContact O-N 3.1Å; L1515-F1523 HydrophobicContact CD2-CB 4.08Å; L1515-F1523 HydrophobicContact CD2-CD1 3.64Å; L1515-F1523 HydrophobicContact CD2-CE1 4.49Å; L1515-F1523 HydrophobicContact CD2-CG 4.18Å; L1515-I1526 HydrophobicContact CD1-CB 4.27Å; L1515-I1526 HydrophobicContact CD1-CG2 3.81Å; L1515-L1530 HydrophobicContact CD1-CD1 4.2Å |
| 1516 | E | 74 | Confident | 77.5 | Confident | 67 Ų | 67 | 66.1 Ų | 66.1 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -31.4 | -175.1 | -172.7 | 175.2 | -176.2 | 0 | 0 | 112.9 | A1512 Q1539 | A1512-E1516 PolarHBondContact O-N 3.38Å; E1516-Q1539 PolarHBondContact OE1-NE2 3.09Å; E1516-Q1539 VanDerWaalsContact OE1-NE2 3.13Å; E1516-Q1539 PolarHBondContact OE2-NE2 3.01Å |
| 1517 | H | 72.3 | Confident | 77.1 | Confident | 150 Ų | 150 | 65.5 Ų | 65.5 | 69% | 0.694 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 10.9 | -179.3 | -59.5 | -33.3 | 0 | 0 | 0 | 114 | L1515 | L1515-H1517 PolarHBondContact O-N 3.34Å; L1515-H1517 VanDerWaalsContact O-N 3.15Å |
| 1518 | H | 76.4 | Confident | 76.4 | Confident | 40 Ų | 40 | 63.2 Ų | 63.2 | 19% | 0.185 | 30% | 0.302 | C | S | . | . | trans | -62 | 146.6 | 179.8 | -159.3 | -87.1 | 0 | 0 | 0 | 111.3 | L1515 L1520 F1523 R1524 | L1515-H1518 WeakPolarHBondContact O-CB 3.15Å; L1515-H1518 PolarHBondContact O-N 3.06Å; L1515-H1518 VanDerWaalsContact O-N 3.1Å; H1518-L1520 VanDerWaalsContact C-N 3.34Å; H1518-L1520 PolarHBondContact ND1-N 3.45Å; H1518-L1520 PolarHBondContact O-N 3.15Å; H1518-F1523 HydrophobicContact CB-CB 3.87Å; H1518-F1523 AromaticContact CE1-CD2 3.66Å; H1518-F1523 AromaticContact ND1-CD2 3.56Å; H1518-F1523 AromaticContact ND1-CG 3.91Å; H1518-R1524 VanDerWaalsContact O-CZ 3.23Å; H1518-R1524 PolarHBondContact O-NE 3.32Å; H1518-R1524 PolarHBondContact O-NH2 2.89Å | ||
| 1519 | E | 74.3 | Confident | 76 | Confident | 181 Ų | 181 | 65.6 Ų | 65.6 | 85% | 0.846 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -66.6 | -37 | -175.5 | -63.9 | -168.5 | 166.2 | 0 | 0 | 112.4 | ||
| 1520 | L | 75.2 | Confident | 75.9 | Confident | 68 Ų | 68 | 63.6 Ų | 63.6 | 36% | 0.356 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -77.2 | 125.6 | 177.6 | -70.6 | 170.1 | 0 | 0 | 0 | 112.2 | E1491 H1518 E1522 F1523 R1524 | E1491-L1520 HydrophobicContact CB-CD1 3.96Å; E1491-L1520 HydrophobicContact CG-CD1 4.1Å; H1518-L1520 VanDerWaalsContact C-N 3.34Å; H1518-L1520 PolarHBondContact ND1-N 3.45Å; H1518-L1520 PolarHBondContact O-N 3.15Å; L1520-E1522 VanDerWaalsContact C-N 3.29Å; L1520-E1522 PolarHBondContact O-N 2.87Å; L1520-F1523 HydrophobicContact CB-CD2 3.84Å; L1520-F1523 HydrophobicContact CD1-CD2 3.83Å; L1520-F1523 HydrophobicContact CD1-CE2 3.78Å; L1520-F1523 HydrophobicContact CG-CD2 4.48Å; L1520-F1523 PolarHBondContact O-N 3.49Å; L1520-R1524 PolarHBondContact O-N 3.17Å |
| 1521 | M | 73.7 | Confident | 75.6 | Confident | 121 Ų | 121 | 61.6 Ų | 61.6 | 60% | 0.596 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -56.4 | -36.5 | 178.2 | -76.9 | -93.1 | -74.5 | 0 | 0 | 113.7 | F1523 R1524 R1525 | M1521-F1523 PolarHBondContact O-N 3.13Å; M1521-R1524 WeakPolarHBondContact O-CB 3.18Å; M1521-R1524 PolarHBondContact O-N 3.23Å; M1521-R1525 PolarHBondContact O-N 3.36Å |
| 1522 | E | 75.9 | Confident | 74.8 | Confident | 70 Ų | 70 | 63.2 Ų | 63.2 | 33% | 0.327 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.6 | -36.1 | -178.5 | -61.3 | -57.9 | 154.3 | 0 | 0 | 112.1 | Y1493 L1520 R1524 R1525 I1526 | Y1493-E1522 HydrophobicContact CD1-CB 4.4Å; Y1493-E1522 HydrophobicContact CD2-CB 3.99Å; Y1493-E1522 HydrophobicContact CD2-CG 4.31Å; Y1493-E1522 HydrophobicContact CE2-CG 4.36Å; Y1493-E1522 HydrophobicContact CG-CB 3.92Å; Y1493-E1522 HydrophobicContact CG-CG 4.49Å; L1520-E1522 VanDerWaalsContact C-N 3.29Å; L1520-E1522 PolarHBondContact O-N 2.87Å; E1522-R1524 VanDerWaalsContact C-N 3.34Å; E1522-R1525 WeakPolarHBondContact O-CB 3.45Å; E1522-R1525 PolarHBondContact O-N 2.91Å; E1522-R1525 IonicContact OE1-CZ 3.58Å; E1522-R1525 IonicContact OE1-NH1 3.92Å; E1522-R1525 PolarHBondContact OE1-NH1 3.49Å; E1522-R1525 WeakPolarHBondContact OE2-CD 3.49Å; E1522-R1525 IonicContact OE2-CZ 3.71Å; E1522-R1525 IonicContact OE2-NH1 2.73Å; E1522-R1525 PolarHBondContact OE2-NH1 3.34Å; E1522-I1526 WeakPolarHBondContact O-CG1 3.25Å; E1522-I1526 PolarHBondContact O-N 3.47Å |
| 1523 | F | 78.8 | Confident | 74.2 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.9 | -35.7 | 173.4 | -80.7 | -70.4 | 0 | 0 | 0 | 112 | I1488 E1491 L1496 L1515 H1518 L1520 M1521 R1525 I1526 S1527 | I1488-F1523 HydrophobicContact CG1-CE1 4.29Å; E1491-F1523 VanDerWaalsContact C-CZ 3.5Å; E1491-F1523 HydrophobicContact CB-CE2 4.2Å; L1496-F1523 HydrophobicContact CB-CE1 4.38Å; L1496-F1523 HydrophobicContact CD2-CD1 3.76Å; L1496-F1523 HydrophobicContact CD2-CE1 3.56Å; L1515-F1523 HydrophobicContact CD2-CB 4.08Å; L1515-F1523 HydrophobicContact CD2-CD1 3.64Å; L1515-F1523 HydrophobicContact CD2-CE1 4.49Å; L1515-F1523 HydrophobicContact CD2-CG 4.18Å; H1518-F1523 HydrophobicContact CB-CB 3.87Å; H1518-F1523 AromaticContact CE1-CD2 3.66Å; H1518-F1523 AromaticContact ND1-CD2 3.56Å; H1518-F1523 AromaticContact ND1-CG 3.91Å; L1520-F1523 HydrophobicContact CB-CD2 3.84Å; L1520-F1523 HydrophobicContact CD1-CD2 3.83Å; L1520-F1523 HydrophobicContact CD1-CE2 3.78Å; L1520-F1523 HydrophobicContact CG-CD2 4.48Å; L1520-F1523 PolarHBondContact O-N 3.49Å; M1521-F1523 PolarHBondContact O-N 3.13Å; F1523-R1525 VanDerWaalsContact C-N 3.31Å; F1523-R1525 PolarHBondContact O-N 3.33Å; F1523-I1526 HydrophobicContact CD1-CD1 4.23Å; F1523-I1526 WeakPolarHBondContact O-CB 3.48Å; F1523-I1526 PolarHBondContact O-N 3Å; F1523-S1527 PolarHBondContact O-N 2.87Å |
| 1524 | R | 75 | Confident | 73.5 | Confident | 110 Ų | 110 | 63.4 Ų | 63.4 | 42% | 0.415 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.7 | -35.5 | 171.3 | -61.2 | -174.3 | -169.5 | 169.7 | 3.4 | 112.2 | H1518 L1520 M1521 E1522 I1526 S1527 A1528 | H1518-R1524 VanDerWaalsContact O-CZ 3.23Å; H1518-R1524 PolarHBondContact O-NE 3.32Å; H1518-R1524 PolarHBondContact O-NH2 2.89Å; L1520-R1524 PolarHBondContact O-N 3.17Å; M1521-R1524 WeakPolarHBondContact O-CB 3.18Å; M1521-R1524 PolarHBondContact O-N 3.23Å; E1522-R1524 VanDerWaalsContact C-N 3.34Å; R1524-I1526 VanDerWaalsContact C-N 3.34Å; R1524-S1527 VanDerWaalsContact O-CB 3.29Å; R1524-S1527 WeakPolarHBondContact O-CB 3.43Å; R1524-S1527 PolarHBondContact O-N 3.39Å; R1524-A1528 PolarHBondContact O-N 3.12Å |
| 1525 | R | 73.2 | Confident | 72.7 | Confident | 142 Ų | 142 | 64.7 Ų | 64.7 | 54% | 0.536 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 172.4 | -71.3 | 175.4 | 175.1 | 166.4 | 0.2 | 111.9 | M1521 E1522 F1523 S1527 A1528 Y1529 | M1521-R1525 PolarHBondContact O-N 3.36Å; E1522-R1525 WeakPolarHBondContact O-CB 3.45Å; E1522-R1525 PolarHBondContact O-N 2.91Å; E1522-R1525 IonicContact OE1-CZ 3.58Å; E1522-R1525 IonicContact OE1-NH1 3.92Å; E1522-R1525 PolarHBondContact OE1-NH1 3.49Å; E1522-R1525 WeakPolarHBondContact OE2-CD 3.49Å; E1522-R1525 IonicContact OE2-CZ 3.71Å; E1522-R1525 IonicContact OE2-NH1 2.73Å; E1522-R1525 PolarHBondContact OE2-NH1 3.34Å; F1523-R1525 VanDerWaalsContact C-N 3.31Å; F1523-R1525 PolarHBondContact O-N 3.33Å; R1525-S1527 VanDerWaalsContact C-N 3.34Å; R1525-A1528 PolarHBondContact O-N 3.47Å; R1525-Y1529 VanDerWaalsContact O-CB 3.32Å; R1525-Y1529 WeakPolarHBondContact O-CB 3.41Å; R1525-Y1529 PolarHBondContact O-N 2.95Å |
| 1526 | I | 78.2 | Confident | 71.4 | Confident | 8 Ų | 8 | 70.8 Ų | 70.8 | 4% | 0.041 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 172.2 | -64.7 | 169 | 0 | 0 | 0 | 110.5 | Y1493 L1496 R1497 I1500 L1515 E1522 F1523 R1524 Y1529 L1530 | Y1493-I1526 WeakPolarHBondContact O-CD1 3.48Å; L1496-I1526 HydrophobicContact CB-CD1 4.38Å; L1496-I1526 HydrophobicContact CD2-CD1 4.15Å; L1496-I1526 HydrophobicContact CD2-CG2 4.19Å; L1496-I1526 HydrophobicContact CG-CD1 4.46Å; R1497-I1526 HydrophobicContact CB-CD1 4.35Å; I1500-I1526 HydrophobicContact CD1-CG2 3.39Å; L1515-I1526 HydrophobicContact CD1-CB 4.27Å; L1515-I1526 HydrophobicContact CD1-CG2 3.81Å; E1522-I1526 WeakPolarHBondContact O-CG1 3.25Å; E1522-I1526 PolarHBondContact O-N 3.47Å; F1523-I1526 HydrophobicContact CD1-CD1 4.23Å; F1523-I1526 WeakPolarHBondContact O-CB 3.48Å; F1523-I1526 PolarHBondContact O-N 3Å; R1524-I1526 VanDerWaalsContact C-N 3.34Å; I1526-Y1529 WeakPolarHBondContact O-CB 3.18Å; I1526-Y1529 PolarHBondContact O-N 3.41Å; I1526-L1530 HydrophobicContact CG2-CD1 4.18Å; I1526-L1530 HydrophobicContact CG2-CG 4.46Å; I1526-L1530 WeakPolarHBondContact O-CG 3.18Å; I1526-L1530 PolarHBondContact O-N 2.91Å |
| 1527 | S | 74.4 | Confident | 70.5 | Confident | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.8 | -50.7 | 171.3 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | A1512 F1523 R1524 R1525 Y1529 L1530 Y1531 | A1512-S1527 PolarHBondContact O-OG 2.83Å; F1523-S1527 PolarHBondContact O-N 2.87Å; R1524-S1527 VanDerWaalsContact O-CB 3.29Å; R1524-S1527 WeakPolarHBondContact O-CB 3.43Å; R1524-S1527 PolarHBondContact O-N 3.39Å; R1525-S1527 VanDerWaalsContact C-N 3.34Å; S1527-Y1529 VanDerWaalsContact C-N 3.28Å; S1527-Y1529 PolarHBondContact O-N 3.37Å; S1527-L1530 PolarHBondContact O-N 3.41Å; S1527-Y1531 VanDerWaalsContact O-CD2 3.23Å; S1527-Y1531 WeakPolarHBondContact O-CD2 3.48Å; S1527-Y1531 PolarHBondContact O-N 3.47Å; S1527-Y1531 WeakPolarHBondContact OG-CE2 3.21Å |
| 1528 | A | 68.5 | Low | 69.6 | Low | 23 Ų | 23 | 72.4 Ų | 72.4 | 19% | 0.19 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.2 | -39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | R1524 R1525 Y1531 K1532 | R1524-A1528 PolarHBondContact O-N 3.12Å; R1525-A1528 PolarHBondContact O-N 3.47Å; A1528-Y1531 PolarHBondContact O-N 3.27Å; A1528-K1532 WeakPolarHBondContact O-CB 3.42Å; A1528-K1532 PolarHBondContact O-N 3.03Å |
| 1529 | Y | 71.8 | Confident | 68.2 | Low | 91 Ų | 91 | 74.4 Ų | 74.4 | 36% | 0.357 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 175.8 | -179.9 | -104.2 | 0 | 0 | 0 | 112.7 | I1500 D1501 R1525 I1526 S1527 K1532 G1533 | I1500-Y1529 HydrophobicContact CG2-CD1 4.47Å; I1500-Y1529 HydrophobicContact CG2-CE1 4.18Å; D1501-Y1529 WeakPolarHBondContact OD1-CE1 3.46Å; D1501-Y1529 VanDerWaalsContact OD1-CZ 3.24Å; D1501-Y1529 PolarHBondContact OD1-OH 3.46Å; R1525-Y1529 VanDerWaalsContact O-CB 3.32Å; R1525-Y1529 WeakPolarHBondContact O-CB 3.41Å; R1525-Y1529 PolarHBondContact O-N 2.95Å; I1526-Y1529 WeakPolarHBondContact O-CB 3.18Å; I1526-Y1529 PolarHBondContact O-N 3.41Å; S1527-Y1529 VanDerWaalsContact C-N 3.28Å; S1527-Y1529 PolarHBondContact O-N 3.37Å; Y1529-K1532 VanDerWaalsContact O-CB 3.26Å; Y1529-K1532 WeakPolarHBondContact O-CB 3.42Å; Y1529-K1532 PolarHBondContact O-N 3.35Å; Y1529-G1533 PolarHBondContact O-N 2.86Å |
| 1530 | L | 74.1 | Confident | 66.8 | Low | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 174.1 | -72.9 | 168 | 0 | 0 | 0 | 111.8 | I1500 F1506 L1511 A1512 L1515 I1526 S1527 G1533 N1534 | I1500-L1530 HydrophobicContact CD1-CD1 4.03Å; I1500-L1530 HydrophobicContact CD1-CD2 4.07Å; I1500-L1530 HydrophobicContact CD1-CG 4.22Å; I1500-L1530 HydrophobicContact CG1-CD2 4.31Å; I1500-L1530 HydrophobicContact CG2-CD2 3.62Å; F1506-L1530 HydrophobicContact CE2-CD2 3.93Å; F1506-L1530 HydrophobicContact CZ-CD2 3.91Å; L1511-L1530 HydrophobicContact CB-CD1 4.08Å; L1511-L1530 HydrophobicContact CD2-CD1 3.68Å; L1511-L1530 HydrophobicContact CG-CD1 3.78Å; A1512-L1530 HydrophobicContact CB-CB 3.89Å; A1512-L1530 HydrophobicContact CB-CD1 4.33Å; L1515-L1530 HydrophobicContact CD1-CD1 4.2Å; I1526-L1530 HydrophobicContact CG2-CD1 4.18Å; I1526-L1530 HydrophobicContact CG2-CG 4.46Å; I1526-L1530 WeakPolarHBondContact O-CG 3.18Å; I1526-L1530 PolarHBondContact O-N 2.91Å; S1527-L1530 PolarHBondContact O-N 3.41Å; L1530-G1533 PolarHBondContact O-N 2.8Å; L1530-N1534 PolarHBondContact O-N 3.47Å |
| 1531 | Y | 73.7 | Confident | 65.9 | Low | 1 Ų | 1 | 69.9 Ų | 69.9 | 0% | 0.004 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.8 | -37.8 | 173.1 | -78.2 | -52.9 | 0 | 0 | 0 | 112.7 | A1512 Q1513 S1527 A1528 N1534 N1535 R1536 Q1539 | A1512-Y1531 HydrophobicContact CB-CD1 4.1Å; A1512-Y1531 HydrophobicContact CB-CD2 3.96Å; A1512-Y1531 HydrophobicContact CB-CE1 3.8Å; A1512-Y1531 HydrophobicContact CB-CE2 3.67Å; A1512-Y1531 HydrophobicContact CB-CG 4.16Å; Q1513-Y1531 VanDerWaalsContact CG-OH 3.28Å; Q1513-Y1531 WeakPolarHBondContact CG-OH 3.44Å; S1527-Y1531 VanDerWaalsContact O-CD2 3.23Å; S1527-Y1531 WeakPolarHBondContact O-CD2 3.48Å; S1527-Y1531 PolarHBondContact O-N 3.47Å; S1527-Y1531 WeakPolarHBondContact OG-CE2 3.21Å; A1528-Y1531 PolarHBondContact O-N 3.27Å; Y1531-N1534 PolarHBondContact O-N 2.97Å; Y1531-N1535 PolarHBondContact O-N 3.41Å; Y1531-R1536 HydrophobicContact CD1-CB 3.91Å; Y1531-R1536 PolarHBondContact O-N 3.48Å; Y1531-Q1539 HydrophobicContact CD2-CB 3.82Å; Y1531-Q1539 HydrophobicContact CE2-CB 4.09Å; Y1531-Q1539 HydrophobicContact CG-CB 4.22Å |
| 1532 | K | 64.6 | Low | 65.3 | Low | 45 Ų | 45 | 66 Ų | 66 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.2 | -50 | 172.8 | -164.1 | 179.9 | -179.4 | 171.9 | 0 | 110.6 | A1528 Y1529 N1534 N1535 W1537 E1544 E1548 | A1528-K1532 WeakPolarHBondContact O-CB 3.42Å; A1528-K1532 PolarHBondContact O-N 3.03Å; Y1529-K1532 VanDerWaalsContact O-CB 3.26Å; Y1529-K1532 WeakPolarHBondContact O-CB 3.42Å; Y1529-K1532 PolarHBondContact O-N 3.35Å; K1532-N1534 VanDerWaalsContact C-N 3.32Å; K1532-N1534 PolarHBondContact O-N 3.01Å; K1532-N1535 PolarHBondContact O-N 2.67Å; K1532-W1537 HydrophobicContact CB-CZ3 4.38Å; K1532-W1537 HydrophobicContact CG-CE3 4.14Å; K1532-W1537 HydrophobicContact CG-CH2 4.27Å; K1532-W1537 HydrophobicContact CG-CZ3 3.5Å; K1532-W1537 VanDerWaalsContact CG-CZ3 3.5Å; K1532-W1537 WeakPolarHBondContact O-CH2 3.2Å; K1532-E1544 IonicContact NZ-OE2 2.73Å; K1532-E1544 PolarHBondContact NZ-OE2 2.97Å; K1532-E1544 VanDerWaalsContact NZ-OE2 3.11Å; K1532-E1548 WeakPolarHBondContact CE-OE1 3.42Å; K1532-E1548 WeakPolarHBondContact CE-OE2 3.5Å; K1532-E1548 VanDerWaalsContact NZ-CD 3.32Å; K1532-E1548 IonicContact NZ-OE1 3.11Å; K1532-E1548 PolarHBondContact NZ-OE1 3.24Å; K1532-E1548 IonicContact NZ-OE2 3.01Å; K1532-E1548 PolarHBondContact NZ-OE2 3.43Å |
| 1533 | G | 63.9 | Low | 64.7 | Low | 61 Ų | 61 | 64.3 Ų | 64.3 | 63% | 0.629 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.7 | -28.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | Y1529 L1530 | Y1529-G1533 PolarHBondContact O-N 2.86Å; L1530-G1533 PolarHBondContact O-N 2.8Å |
| 1534 | N | 65.8 | Low | 63.8 | Low | 53 Ų | 53 | 68.8 Ų | 68.8 | 28% | 0.283 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 13.9 | -179.8 | -89 | -13.1 | 0 | 0 | 0 | 114.6 | N1508 I1509 L1530 Y1531 K1532 R1536 | N1508-N1534 WeakPolarHBondContact CB-ND2 3.43Å; N1508-N1534 PolarHBondContact ND2-OD1 3.17Å; I1509-N1534 VanDerWaalsContact CG1-ND2 3.28Å; I1509-N1534 WeakPolarHBondContact CG1-ND2 3.44Å; L1530-N1534 PolarHBondContact O-N 3.47Å; Y1531-N1534 PolarHBondContact O-N 2.97Å; K1532-N1534 VanDerWaalsContact C-N 3.32Å; K1532-N1534 PolarHBondContact O-N 3.01Å; N1534-R1536 PolarHBondContact O-N 3.31Å; N1534-R1536 VanDerWaalsContact O-N 3.12Å |
| 1535 | N | 62.3 | Low | 63.1 | Low | 117 Ų | 117 | 65.4 Ų | 65.4 | 63% | 0.626 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 21.1 | -175.8 | -60.1 | -44.5 | 0 | 0 | 0 | 114.6 | Y1531 K1532 W1537 | Y1531-N1535 PolarHBondContact O-N 3.41Å; K1532-N1535 PolarHBondContact O-N 2.67Å; N1535-W1537 VanDerWaalsContact C-CD1 3.43Å; N1535-W1537 VanDerWaalsContact CA-NE1 3.34Å; N1535-W1537 PolarHBondContact O-N 3.46Å; N1535-W1537 PolarHBondContact O-NE1 2.64Å; N1535-W1537 VanDerWaalsContact OD1-CZ2 3.26Å; N1535-W1537 WeakPolarHBondContact OD1-CZ2 3.31Å |
| 1536 | R | 53.1 | Low | 62.6 | Low | 127 Ų | 127 | 58.7 Ų | 58.7 | 48% | 0.479 | 30% | 0.298 | S | S | . | . | trans | -99.7 | 63.7 | 175.5 | -77.9 | -164.8 | -178.9 | -174.3 | 4.1 | 110.5 | Y1531 N1534 K1538 | Y1531-R1536 HydrophobicContact CD1-CB 3.91Å; Y1531-R1536 PolarHBondContact O-N 3.48Å; N1534-R1536 PolarHBondContact O-N 3.31Å; N1534-R1536 VanDerWaalsContact O-N 3.12Å; R1536-K1538 VanDerWaalsContact C-N 3.29Å; R1536-K1538 PolarHBondContact O-N 3.49Å | ||
| 1537 | W | 55 | Low | 61.9 | Low | 63 Ų | 63 | 59.3 Ų | 59.3 | 24% | 0.239 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -61.1 | -30.8 | -168 | -54.4 | 107.4 | 0 | 0 | 0 | 113.9 | K1532 N1535 Q1539 S1540 Y1545 E1548 | K1532-W1537 HydrophobicContact CB-CZ3 4.38Å; K1532-W1537 HydrophobicContact CG-CE3 4.14Å; K1532-W1537 HydrophobicContact CG-CH2 4.27Å; K1532-W1537 HydrophobicContact CG-CZ3 3.5Å; K1532-W1537 VanDerWaalsContact CG-CZ3 3.5Å; K1532-W1537 WeakPolarHBondContact O-CH2 3.2Å; N1535-W1537 VanDerWaalsContact C-CD1 3.43Å; N1535-W1537 VanDerWaalsContact CA-NE1 3.34Å; N1535-W1537 PolarHBondContact O-N 3.46Å; N1535-W1537 PolarHBondContact O-NE1 2.64Å; N1535-W1537 VanDerWaalsContact OD1-CZ2 3.26Å; N1535-W1537 WeakPolarHBondContact OD1-CZ2 3.31Å; W1537-Q1539 PolarHBondContact O-N 3.25Å; W1537-S1540 PolarHBondContact O-N 3.48Å; W1537-S1540 PolarHBondContact O-OG 3.13Å; W1537-Y1545 HydrophobicContact CB-CD2 3.31Å; W1537-Y1545 HydrophobicContact CB-CE2 3.05Å; W1537-Y1545 HydrophobicContact CG-CD2 4.47Å; W1537-Y1545 HydrophobicContact CG-CE2 4.33Å; W1537-Y1545 WeakPolarHBondContact O-CD2 3.33Å; W1537-Y1545 WeakPolarHBondContact O-CE2 3.37Å; W1537-E1548 HydrophobicContact CZ3-CB 4.35Å |
| 1538 | K | 53.6 | Low | 61.3 | Low | 189 Ų | 189 | 63.6 Ų | 63.6 | 82% | 0.822 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -57.8 | -13.7 | -172.3 | -78.2 | -172.6 | 176.6 | -177.2 | 0 | 115.8 | R1536 | R1536-K1538 VanDerWaalsContact C-N 3.29Å; R1536-K1538 PolarHBondContact O-N 3.49Å |
| 1539 | Q | 46 | Very low | 61.2 | Low | 81 Ų | 81 | 63.7 Ų | 63.7 | 38% | 0.379 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -109.3 | 11.5 | -177.9 | -64.2 | 177.5 | -75.7 | 0 | 0 | 113.4 | E1516 Y1531 W1537 | E1516-Q1539 PolarHBondContact OE1-NE2 3.09Å; E1516-Q1539 VanDerWaalsContact OE1-NE2 3.13Å; E1516-Q1539 PolarHBondContact OE2-NE2 3.01Å; Y1531-Q1539 HydrophobicContact CD2-CB 3.82Å; Y1531-Q1539 HydrophobicContact CE2-CB 4.09Å; Y1531-Q1539 HydrophobicContact CG-CB 4.22Å; W1537-Q1539 PolarHBondContact O-N 3.25Å |
| 1540 | S | 46.3 | Very low | 60.9 | Low | 25 Ų | 25 | 68.4 Ų | 68.4 | 18% | 0.175 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -106.2 | 173.6 | -177.5 | 65.7 | 0 | 0 | 0 | 0 | 113.4 | W1537 A1542 | W1537-S1540 PolarHBondContact O-N 3.48Å; W1537-S1540 PolarHBondContact O-OG 3.13Å; S1540-A1542 PolarHBondContact O-N 2.87Å |
| 1541 | D | 55 | Low | 60.8 | Low | 129 Ų | 129 | 72.7 Ų | 72.7 | 69% | 0.69 | 36% | 0.361 | S | S | * | . | trans | -65.2 | 123.6 | -178.2 | -147.1 | -13.6 | 0 | 0 | 0 | 111.2 | M1543 E1544 Y1545 | D1541-M1543 PolarHBondContact O-N 2.79Å; D1541-E1544 PolarHBondContact O-N 3.39Å; D1541-Y1545 VanDerWaalsContact O-CB 3.27Å; D1541-Y1545 WeakPolarHBondContact O-CB 3.3Å; D1541-Y1545 PolarHBondContact O-N 3Å; D1541-Y1545 VanDerWaalsContact O-N 3.07Å | ||
| 1542 | A | 62.2 | Low | 60.6 | Low | 40 Ų | 40 | 74.6 Ų | 74.6 | 33% | 0.331 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.9 | -23.2 | -152.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1540 Y1545 A1546 L1558 | S1540-A1542 PolarHBondContact O-N 2.87Å; A1542-Y1545 WeakPolarHBondContact O-CB 3.11Å; A1542-A1546 PolarHBondContact O-N 3.3Å; A1542-L1558 HydrophobicContact CB-CD1 3.42Å; A1542-L1558 VanDerWaalsContact CB-CD1 3.42Å; A1542-L1558 WeakPolarHBondContact O-CD1 3.48Å; A1542-L1558 WeakPolarHBondContact O-CD2 3.43Å |
| 1543 | M | 63.1 | Low | 61.1 | Low | 34 Ų | 34 | 78.9 Ų | 78.9 | 17% | 0.167 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -79.1 | -44.2 | 177.6 | -76.8 | -179.1 | 178.3 | 0 | 0 | 113.7 | D1541 Y1545 A1546 A1547 L1558 F1562 C1570 A1573 A1574 | D1541-M1543 PolarHBondContact O-N 2.79Å; M1543-Y1545 VanDerWaalsContact C-N 3.3Å; M1543-A1546 PolarHBondContact O-N 2.99Å; M1543-A1547 PolarHBondContact O-N 3.28Å; M1543-L1558 HydrophobicContact CG-CD2 4.03Å; M1543-F1562 HydrophobicContact CE-CD2 4.13Å; M1543-F1562 HydrophobicContact CE-CE1 4.24Å; M1543-F1562 HydrophobicContact CE-CE2 3.33Å; M1543-F1562 HydrophobicContact CE-CZ 3.41Å; M1543-F1562 VanDerWaalsContact CE-CZ 3.41Å; M1543-F1562 HydrophobicContact CG-CE2 3.81Å; M1543-F1562 HydrophobicContact CG-CZ 3.77Å; M1543-F1562 HydrophobicContact SD-CE2 4.45Å; M1543-F1562 HydrophobicContact SD-CZ 4.45Å; M1543-C1570 VanDerWaalsContact CE-CA 3.41Å; M1543-C1570 HydrophobicContact CE-CB 3.35Å; M1543-C1570 WeakPolarHBondContact CE-O 3.41Å; M1543-A1573 HydrophobicContact CE-CB 4.1Å; M1543-A1573 HydrophobicContact SD-CB 4.16Å; M1543-A1574 HydrophobicContact CE-CB 4.49Å |
| 1544 | E | 59.8 | Low | 61.4 | Low | 94 Ų | 94 | 77.3 Ų | 77.3 | 44% | 0.439 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.8 | -36.6 | 173.6 | -71.6 | -170.7 | -178.1 | 0 | 0 | 110.6 | K1532 D1541 A1546 A1547 E1548 | K1532-E1544 IonicContact NZ-OE2 2.73Å; K1532-E1544 PolarHBondContact NZ-OE2 2.97Å; K1532-E1544 VanDerWaalsContact NZ-OE2 3.11Å; D1541-E1544 PolarHBondContact O-N 3.39Å; E1544-A1546 PolarHBondContact O-N 2.59Å; E1544-A1547 PolarHBondContact O-N 2.98Å; E1544-E1548 PolarHBondContact O-N 3.31Å |
| 1545 | Y | 59.6 | Low | 61.6 | Low | 40 Ų | 40 | 74.8 Ų | 74.8 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -50.7 | -50.5 | 171.1 | 167 | -101.4 | 0 | 0 | 0 | 112.8 | W1537 D1541 A1542 M1543 S1549 I1554 | W1537-Y1545 HydrophobicContact CB-CD2 3.31Å; W1537-Y1545 HydrophobicContact CB-CE2 3.05Å; W1537-Y1545 HydrophobicContact CG-CD2 4.47Å; W1537-Y1545 HydrophobicContact CG-CE2 4.33Å; W1537-Y1545 WeakPolarHBondContact O-CD2 3.33Å; W1537-Y1545 WeakPolarHBondContact O-CE2 3.37Å; D1541-Y1545 VanDerWaalsContact O-CB 3.27Å; D1541-Y1545 WeakPolarHBondContact O-CB 3.3Å; D1541-Y1545 PolarHBondContact O-N 3Å; D1541-Y1545 VanDerWaalsContact O-N 3.07Å; A1542-Y1545 WeakPolarHBondContact O-CB 3.11Å; M1543-Y1545 VanDerWaalsContact C-N 3.3Å; Y1545-S1549 WeakPolarHBondContact O-CB 3.12Å; Y1545-S1549 PolarHBondContact O-N 3.11Å; Y1545-S1549 VanDerWaalsContact O-N 3.12Å; Y1545-S1549 PolarHBondContact O-OG 2.9Å; Y1545-I1554 HydrophobicContact CD1-CG2 3.73Å; Y1545-I1554 HydrophobicContact CE1-CD1 4.41Å; Y1545-I1554 HydrophobicContact CE1-CG2 3.21Å |
| 1546 | A | 63.9 | Low | 62.2 | Low | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.1 | -46.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | A1542 M1543 E1544 S1549 I1554 A1555 L1558 L1581 | A1542-A1546 PolarHBondContact O-N 3.3Å; M1543-A1546 PolarHBondContact O-N 2.99Å; E1544-A1546 PolarHBondContact O-N 2.59Å; A1546-S1549 PolarHBondContact O-OG 2.86Å; A1546-I1554 HydrophobicContact CB-CG2 4.25Å; A1546-A1555 HydrophobicContact CB-CB 4.07Å; A1546-L1558 HydrophobicContact CB-CB 4.45Å; A1546-L1558 HydrophobicContact CB-CD2 3.86Å; A1546-L1581 VanDerWaalsContact O-CD1 3.23Å; A1546-L1581 WeakPolarHBondContact O-CD1 3.43Å |
| 1547 | A | 62.4 | Low | 63.1 | Low | 21 Ų | 21 | 71.7 Ų | 71.7 | 17% | 0.174 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64 | -43.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | M1543 E1544 C1578 | M1543-A1547 PolarHBondContact O-N 3.28Å; E1544-A1547 PolarHBondContact O-N 2.98Å; A1547-C1578 PolarHBondContact N-SG 2.72Å; A1547-C1578 VanDerWaalsContact N-SG 3.44Å |
| 1548 | E | 62.2 | Low | 63.9 | Low | 93 Ų | 93 | 69.5 Ų | 69.5 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -82 | -28 | -177.3 | -73.7 | -174.2 | -165.6 | 0 | 0 | 113.7 | K1532 W1537 E1544 R1550 | K1532-E1548 WeakPolarHBondContact CE-OE1 3.42Å; K1532-E1548 WeakPolarHBondContact CE-OE2 3.5Å; K1532-E1548 VanDerWaalsContact NZ-CD 3.32Å; K1532-E1548 IonicContact NZ-OE1 3.11Å; K1532-E1548 PolarHBondContact NZ-OE1 3.24Å; K1532-E1548 IonicContact NZ-OE2 3.01Å; K1532-E1548 PolarHBondContact NZ-OE2 3.43Å; W1537-E1548 HydrophobicContact CZ3-CB 4.35Å; E1544-E1548 PolarHBondContact O-N 3.31Å; E1548-R1550 PolarHBondContact O-N 2.81Å; E1548-R1550 VanDerWaalsContact O-N 3.1Å |
| 1549 | S | 65.8 | Low | 64.9 | Low | 26 Ų | 26 | 60.5 Ų | 60.5 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.9 | -22.5 | 176 | 71.5 | 0 | 0 | 0 | 0 | 113.1 | Y1545 A1546 Q1551 | Y1545-S1549 WeakPolarHBondContact O-CB 3.12Å; Y1545-S1549 PolarHBondContact O-N 3.11Å; Y1545-S1549 VanDerWaalsContact O-N 3.12Å; Y1545-S1549 PolarHBondContact O-OG 2.9Å; A1546-S1549 PolarHBondContact O-OG 2.86Å; S1549-Q1551 PolarHBondContact O-N 3.09Å; S1549-Q1551 PolarHBondContact OG-N 2.79Å |
| 1550 | R | 66.5 | Low | 66.2 | Low | 190 Ų | 190 | 61.1 Ų | 61.1 | 72% | 0.717 | 30% | 0.301 | S | S | * | . | trans | 51.8 | 18 | -171.5 | -64.1 | -170.8 | 176.4 | 178.7 | 1.1 | 114.8 | E1548 L1581 | E1548-R1550 PolarHBondContact O-N 2.81Å; E1548-R1550 VanDerWaalsContact O-N 3.1Å; R1550-L1581 VanDerWaalsContact CA-CD2 3.47Å; R1550-L1581 HydrophobicContact CB-CD2 3.91Å; R1550-L1581 HydrophobicContact CG-CD2 4.22Å | ||
| 1551 | Q | 71.5 | Confident | 67.5 | Low | 98 Ų | 98 | 65.4 Ų | 65.4 | 46% | 0.458 | 32% | 0.317 | S | S | . | . | trans | -93.9 | 114.4 | 175.8 | -68.8 | -168.3 | -9 | 0 | 0 | 109.3 | S1549 E1553 I1554 A1555 | S1549-Q1551 PolarHBondContact O-N 3.09Å; S1549-Q1551 PolarHBondContact OG-N 2.79Å; Q1551-E1553 PolarHBondContact O-N 2.72Å; Q1551-I1554 HydrophobicContact CB-CB 4.34Å; Q1551-I1554 HydrophobicContact CB-CD1 3.99Å; Q1551-I1554 HydrophobicContact CB-CG1 4.05Å; Q1551-I1554 HydrophobicContact CG-CD1 4.48Å; Q1551-I1554 PolarHBondContact O-N 3.05Å; Q1551-A1555 PolarHBondContact O-N 3.49Å | ||
| 1552 | P | 70.8 | Confident | 68.4 | Low | 41 Ų | 41 | 60.1 Ų | 60.1 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.5 | -36.1 | -178.3 | 24.1 | -33.2 | 0 | 0 | 0 | 111.6 | I1554 A1555 E1556 L1581 | P1552-I1554 VanDerWaalsContact C-N 3.33Å; P1552-I1554 PolarHBondContact O-N 2.92Å; P1552-A1555 PolarHBondContact O-N 2.96Å; P1552-E1556 WeakPolarHBondContact O-CB 3.15Å; P1552-E1556 VanDerWaalsContact O-CG 3.28Å; P1552-E1556 WeakPolarHBondContact O-CG 3.2Å; P1552-E1556 PolarHBondContact O-N 2.76Å; P1552-L1581 VanDerWaalsContact CB-O 3.29Å; P1552-L1581 WeakPolarHBondContact CB-O 3.45Å |
| 1553 | E | 74.1 | Confident | 68.8 | Low | 135 Ų | 135 | 59.2 Ų | 59.2 | 63% | 0.631 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -57.3 | -42.6 | 179.5 | -64.7 | 154.4 | -172.1 | 0 | 0 | 112.3 | Q1551 E1557 | Q1551-E1553 PolarHBondContact O-N 2.72Å; E1553-E1557 WeakPolarHBondContact O-CB 3.45Å; E1553-E1557 WeakPolarHBondContact O-CG 3.22Å; E1553-E1557 PolarHBondContact O-N 3.42Å |
| 1554 | I | 69.8 | Low | 69.2 | Low | 27 Ų | 27 | 64.8 Ų | 64.8 | 14% | 0.138 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.8 | -41.8 | 179.9 | -66 | -179.7 | 0 | 0 | 0 | 111 | Y1545 A1546 Q1551 P1552 E1556 E1557 L1558 | Y1545-I1554 HydrophobicContact CD1-CG2 3.73Å; Y1545-I1554 HydrophobicContact CE1-CD1 4.41Å; Y1545-I1554 HydrophobicContact CE1-CG2 3.21Å; A1546-I1554 HydrophobicContact CB-CG2 4.25Å; Q1551-I1554 HydrophobicContact CB-CB 4.34Å; Q1551-I1554 HydrophobicContact CB-CD1 3.99Å; Q1551-I1554 HydrophobicContact CB-CG1 4.05Å; Q1551-I1554 HydrophobicContact CG-CD1 4.48Å; Q1551-I1554 PolarHBondContact O-N 3.05Å; P1552-I1554 VanDerWaalsContact C-N 3.33Å; P1552-I1554 PolarHBondContact O-N 2.92Å; I1554-E1556 VanDerWaalsContact C-N 3.33Å; I1554-E1557 PolarHBondContact O-N 3.13Å; I1554-L1558 WeakPolarHBondContact O-CB 3.22Å; I1554-L1558 PolarHBondContact O-N 3.42Å |
| 1555 | A | 70.9 | Confident | 69.9 | Low | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1546 Q1551 P1552 I1559 C1578 L1581 L1582 | A1546-A1555 HydrophobicContact CB-CB 4.07Å; Q1551-A1555 PolarHBondContact O-N 3.49Å; P1552-A1555 PolarHBondContact O-N 2.96Å; A1555-I1559 WeakPolarHBondContact O-CB 3.38Å; A1555-I1559 WeakPolarHBondContact O-CG1 3.47Å; A1555-I1559 PolarHBondContact O-N 3.34Å; A1555-C1578 HydrophobicContact CB-CB 4.17Å; A1555-L1581 HydrophobicContact CB-CB 4.37Å; A1555-L1582 HydrophobicContact CB-CD2 3.62Å; A1555-L1582 HydrophobicContact CB-CG 4.29Å |
| 1556 | E | 73.9 | Confident | 70.3 | Confident | 42 Ų | 42 | 65 Ų | 65 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.2 | -44.3 | 174.2 | -71.8 | 175 | -168.6 | 0 | 0 | 111.5 | P1552 I1554 L1558 I1559 Q1560 L1582 H1583 V1586 | P1552-E1556 WeakPolarHBondContact O-CB 3.15Å; P1552-E1556 VanDerWaalsContact O-CG 3.28Å; P1552-E1556 WeakPolarHBondContact O-CG 3.2Å; P1552-E1556 PolarHBondContact O-N 2.76Å; I1554-E1556 VanDerWaalsContact C-N 3.33Å; E1556-L1558 PolarHBondContact O-N 2.92Å; E1556-I1559 PolarHBondContact O-N 3.38Å; E1556-Q1560 WeakPolarHBondContact O-CB 3.41Å; E1556-Q1560 PolarHBondContact O-N 2.59Å; E1556-L1582 HydrophobicContact CG-CD2 4.01Å; E1556-H1583 IonicContact OE1-CE1 3.94Å; E1556-H1583 IonicContact OE1-CG 3.84Å; E1556-H1583 IonicContact OE1-ND1 2.93Å; E1556-H1583 PolarHBondContact OE1-ND1 2.76Å; E1556-V1586 HydrophobicContact CG-CG1 4.23Å |
| 1557 | E | 73.7 | Confident | 70.8 | Confident | 136 Ų | 136 | 68.9 Ų | 68.9 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.1 | -41.6 | 173.5 | -81.1 | -172.6 | 176.6 | 0 | 0 | 112.4 | E1553 I1554 Q1560 F1561 | E1553-E1557 WeakPolarHBondContact O-CB 3.45Å; E1553-E1557 WeakPolarHBondContact O-CG 3.22Å; E1553-E1557 PolarHBondContact O-N 3.42Å; I1554-E1557 PolarHBondContact O-N 3.13Å; E1557-Q1560 WeakPolarHBondContact O-CB 3.26Å; E1557-Q1560 PolarHBondContact O-N 2.67Å; E1557-F1561 WeakPolarHBondContact O-CB 3.26Å; E1557-F1561 PolarHBondContact O-N 2.82Å |
| 1558 | L | 70.7 | Confident | 71.2 | Confident | 17 Ų | 17 | 75 Ų | 75 | 9% | 0.089 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 177.1 | -171.5 | 88.7 | 0 | 0 | 0 | 111.4 | A1542 M1543 A1546 I1554 E1556 Q1560 F1561 F1562 | A1542-L1558 HydrophobicContact CB-CD1 3.42Å; A1542-L1558 VanDerWaalsContact CB-CD1 3.42Å; A1542-L1558 WeakPolarHBondContact O-CD1 3.48Å; A1542-L1558 WeakPolarHBondContact O-CD2 3.43Å; M1543-L1558 HydrophobicContact CG-CD2 4.03Å; A1546-L1558 HydrophobicContact CB-CB 4.45Å; A1546-L1558 HydrophobicContact CB-CD2 3.86Å; I1554-L1558 WeakPolarHBondContact O-CB 3.22Å; I1554-L1558 PolarHBondContact O-N 3.42Å; E1556-L1558 PolarHBondContact O-N 2.92Å; L1558-Q1560 VanDerWaalsContact C-N 3.31Å; L1558-F1561 WeakPolarHBondContact O-CB 3.24Å; L1558-F1561 PolarHBondContact O-N 3.06Å; L1558-F1562 HydrophobicContact CD1-CE2 4.26Å; L1558-F1562 HydrophobicContact CD1-CZ 4.04Å; L1558-F1562 HydrophobicContact CD2-CD2 4.31Å; L1558-F1562 HydrophobicContact CD2-CE2 3.41Å; L1558-F1562 VanDerWaalsContact CD2-CE2 3.41Å; L1558-F1562 HydrophobicContact CD2-CZ 3.89Å; L1558-F1562 HydrophobicContact CG-CD2 4.16Å; L1558-F1562 HydrophobicContact CG-CE2 3.51Å; L1558-F1562 HydrophobicContact CG-CZ 3.81Å; L1558-F1562 WeakPolarHBondContact O-CD2 3.42Å; L1558-F1562 WeakPolarHBondContact O-CG 3.47Å; L1558-F1562 PolarHBondContact O-N 3.09Å |
| 1559 | I | 74.4 | Confident | 71.7 | Confident | 1 Ų | 1 | 78.5 Ų | 78.5 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 175.1 | -82.9 | -175.7 | 0 | 0 | 0 | 110.6 | A1555 E1556 F1561 F1562 L1563 F1571 A1574 L1575 L1582 I1587 M1590 | A1555-I1559 WeakPolarHBondContact O-CB 3.38Å; A1555-I1559 WeakPolarHBondContact O-CG1 3.47Å; A1555-I1559 PolarHBondContact O-N 3.34Å; E1556-I1559 PolarHBondContact O-N 3.38Å; I1559-F1561 VanDerWaalsContact C-N 3.31Å; I1559-F1561 PolarHBondContact O-N 2.95Å; I1559-F1562 PolarHBondContact O-N 3.33Å; I1559-L1563 HydrophobicContact CG2-CD1 3.74Å; I1559-L1563 HydrophobicContact CG2-CG 4.37Å; I1559-L1563 WeakPolarHBondContact O-CB 3.36Å; I1559-L1563 VanDerWaalsContact O-CG 3.22Å; I1559-L1563 WeakPolarHBondContact O-CG 3.41Å; I1559-L1563 PolarHBondContact O-N 2.68Å; I1559-F1571 HydrophobicContact CD1-CE2 4.46Å; I1559-F1571 HydrophobicContact CG1-CD2 4.4Å; I1559-F1571 HydrophobicContact CG2-CD2 3.73Å; I1559-F1571 HydrophobicContact CG2-CE2 3.54Å; I1559-A1574 HydrophobicContact CD1-CB 4.38Å; I1559-A1574 HydrophobicContact CG1-CB 3.94Å; I1559-L1575 HydrophobicContact CD1-CD2 3.98Å; I1559-L1575 HydrophobicContact CD1-CG 4.4Å; I1559-L1582 HydrophobicContact CD1-CD1 3.29Å; I1559-L1582 HydrophobicContact CD1-CD2 3.63Å; I1559-L1582 HydrophobicContact CD1-CG 4.07Å; I1559-I1587 HydrophobicContact CD1-CD1 3.66Å; I1559-I1587 HydrophobicContact CG2-CD1 4.46Å; I1559-M1590 HydrophobicContact CG2-SD 3.6Å |
| 1560 | Q | 74.2 | Confident | 72 | Confident | 93 Ų | 93 | 79.1 Ų | 79.1 | 44% | 0.435 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 176.6 | -156.7 | 165.2 | -0 | 0 | 0 | 111 | E1556 E1557 L1558 F1562 L1563 E1564 M1590 | E1556-Q1560 WeakPolarHBondContact O-CB 3.41Å; E1556-Q1560 PolarHBondContact O-N 2.59Å; E1557-Q1560 WeakPolarHBondContact O-CB 3.26Å; E1557-Q1560 PolarHBondContact O-N 2.67Å; L1558-Q1560 VanDerWaalsContact C-N 3.31Å; Q1560-F1562 PolarHBondContact O-N 2.97Å; Q1560-L1563 PolarHBondContact O-N 3.5Å; Q1560-E1564 WeakPolarHBondContact O-CB 3.2Å; Q1560-E1564 WeakPolarHBondContact O-CG 3.06Å; Q1560-E1564 PolarHBondContact O-N 3.28Å; Q1560-M1590 HydrophobicContact CB-CE 3.81Å; Q1560-M1590 HydrophobicContact CG-CE 3.85Å |
| 1561 | F | 73.4 | Confident | 72.4 | Confident | 115 Ų | 115 | 70 Ų | 70 | 50% | 0.504 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 174.2 | 177.7 | -96.4 | 0 | 0 | 0 | 112.9 | E1557 L1558 I1559 N1565 | E1557-F1561 WeakPolarHBondContact O-CB 3.26Å; E1557-F1561 PolarHBondContact O-N 2.82Å; L1558-F1561 WeakPolarHBondContact O-CB 3.24Å; L1558-F1561 PolarHBondContact O-N 3.06Å; I1559-F1561 VanDerWaalsContact C-N 3.31Å; I1559-F1561 PolarHBondContact O-N 2.95Å; F1561-N1565 WeakPolarHBondContact CD2-ND2 3.18Å; F1561-N1565 VanDerWaalsContact CE1-ND2 3.33Å; F1561-N1565 WeakPolarHBondContact CE1-ND2 3.32Å; F1561-N1565 WeakPolarHBondContact CE2-ND2 3.21Å; F1561-N1565 WeakPolarHBondContact CZ-ND2 3.14Å; F1561-N1565 WeakPolarHBondContact O-CB 3.43Å; F1561-N1565 PolarHBondContact O-N 2.94Å; F1561-N1565 VanDerWaalsContact O-N 3.08Å; F1561-N1565 PolarHBondContact O-ND2 3.43Å |
| 1562 | F | 74.3 | Confident | 72.4 | Confident | 18 Ų | 18 | 66.9 Ų | 66.9 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.2 | -37.4 | 175.2 | -67.4 | -37.3 | 0 | 0 | 0 | 112.6 | M1543 L1558 I1559 Q1560 G1566 L1567 C1570 A1574 | M1543-F1562 HydrophobicContact CE-CD2 4.13Å; M1543-F1562 HydrophobicContact CE-CE1 4.24Å; M1543-F1562 HydrophobicContact CE-CE2 3.33Å; M1543-F1562 HydrophobicContact CE-CZ 3.41Å; M1543-F1562 VanDerWaalsContact CE-CZ 3.41Å; M1543-F1562 HydrophobicContact CG-CE2 3.81Å; M1543-F1562 HydrophobicContact CG-CZ 3.77Å; M1543-F1562 HydrophobicContact SD-CE2 4.45Å; M1543-F1562 HydrophobicContact SD-CZ 4.45Å; L1558-F1562 HydrophobicContact CD1-CE2 4.26Å; L1558-F1562 HydrophobicContact CD1-CZ 4.04Å; L1558-F1562 HydrophobicContact CD2-CD2 4.31Å; L1558-F1562 HydrophobicContact CD2-CE2 3.41Å; L1558-F1562 VanDerWaalsContact CD2-CE2 3.41Å; L1558-F1562 HydrophobicContact CD2-CZ 3.89Å; L1558-F1562 HydrophobicContact CG-CD2 4.16Å; L1558-F1562 HydrophobicContact CG-CE2 3.51Å; L1558-F1562 HydrophobicContact CG-CZ 3.81Å; L1558-F1562 WeakPolarHBondContact O-CD2 3.42Å; L1558-F1562 WeakPolarHBondContact O-CG 3.47Å; L1558-F1562 PolarHBondContact O-N 3.09Å; I1559-F1562 PolarHBondContact O-N 3.33Å; Q1560-F1562 PolarHBondContact O-N 2.97Å; F1562-G1566 PolarHBondContact O-N 3.29Å; F1562-G1566 VanDerWaalsContact O-N 3.16Å; F1562-L1567 HydrophobicContact CD1-CB 4.48Å; F1562-L1567 HydrophobicContact CD1-CD1 4.2Å; F1562-L1567 PolarHBondContact O-N 2.76Å; F1562-C1570 HydrophobicContact CB-CB 4.35Å; F1562-C1570 HydrophobicContact CD1-CB 3.74Å; F1562-C1570 HydrophobicContact CD2-CB 3.98Å; F1562-C1570 HydrophobicContact CE1-CB 3.98Å; F1562-C1570 HydrophobicContact CE2-CB 4.18Å; F1562-C1570 HydrophobicContact CG-CB 3.77Å; F1562-C1570 HydrophobicContact CZ-CB 4.2Å; F1562-A1574 HydrophobicContact CD2-CB 4.08Å; F1562-A1574 HydrophobicContact CE2-CB 3.98Å |
| 1563 | L | 69 | Low | 72.5 | Confident | 21 Ų | 21 | 66.8 Ų | 66.8 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.9 | -42.5 | 177 | -70.1 | 170.7 | 0 | 0 | 0 | 111.8 | I1559 Q1560 G1566 F1571 M1590 N1594 L1596 | I1559-L1563 HydrophobicContact CG2-CD1 3.74Å; I1559-L1563 HydrophobicContact CG2-CG 4.37Å; I1559-L1563 WeakPolarHBondContact O-CB 3.36Å; I1559-L1563 VanDerWaalsContact O-CG 3.22Å; I1559-L1563 WeakPolarHBondContact O-CG 3.41Å; I1559-L1563 PolarHBondContact O-N 2.68Å; Q1560-L1563 PolarHBondContact O-N 3.5Å; L1563-G1566 PolarHBondContact O-N 3.47Å; L1563-F1571 HydrophobicContact CD1-CD2 4.01Å; L1563-F1571 HydrophobicContact CD1-CE2 3.8Å; L1563-F1571 HydrophobicContact CD2-CB 4.4Å; L1563-F1571 HydrophobicContact CD2-CD1 4.42Å; L1563-F1571 HydrophobicContact CD2-CD2 3.65Å; L1563-F1571 HydrophobicContact CD2-CE2 3.94Å; L1563-F1571 HydrophobicContact CD2-CG 3.9Å; L1563-F1571 HydrophobicContact CD2-CZ 4.43Å; L1563-F1571 HydrophobicContact CG-CD2 3.75Å; L1563-F1571 HydrophobicContact CG-CE2 4.06Å; L1563-F1571 HydrophobicContact CG-CG 4.42Å; L1563-M1590 HydrophobicContact CD1-CB 3.93Å; L1563-M1590 HydrophobicContact CD1-CG 4.37Å; L1563-M1590 HydrophobicContact CD1-SD 4.13Å; L1563-N1594 HydrophobicContact CD2-CB 4.22Å; L1563-L1596 HydrophobicContact CD2-CD1 3.27Å |
| 1564 | E | 72 | Confident | 72.5 | Confident | 152 Ų | 152 | 60.4 Ų | 60.4 | 71% | 0.71 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.8 | -38 | 176.8 | -76 | -178.6 | -179.2 | 0 | 0 | 112.6 | Q1560 G1566 | Q1560-E1564 WeakPolarHBondContact O-CB 3.2Å; Q1560-E1564 WeakPolarHBondContact O-CG 3.06Å; Q1560-E1564 PolarHBondContact O-N 3.28Å; E1564-G1566 VanDerWaalsContact C-N 3.28Å; E1564-G1566 PolarHBondContact O-N 2.92Å |
| 1565 | N | 74 | Confident | 72.7 | Confident | 90 Ų | 90 | 59.3 Ų | 59.3 | 48% | 0.481 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -1.9 | 175.6 | -70.5 | -57.6 | 0 | 0 | 0 | 113.9 | F1561 L1567 | F1561-N1565 WeakPolarHBondContact CD2-ND2 3.18Å; F1561-N1565 VanDerWaalsContact CE1-ND2 3.33Å; F1561-N1565 WeakPolarHBondContact CE1-ND2 3.32Å; F1561-N1565 WeakPolarHBondContact CE2-ND2 3.21Å; F1561-N1565 WeakPolarHBondContact CZ-ND2 3.14Å; F1561-N1565 WeakPolarHBondContact O-CB 3.43Å; F1561-N1565 PolarHBondContact O-N 2.94Å; F1561-N1565 VanDerWaalsContact O-N 3.08Å; F1561-N1565 PolarHBondContact O-ND2 3.43Å; N1565-L1567 VanDerWaalsContact C-N 3.3Å; N1565-L1567 HydrophobicContact CB-CD1 4.21Å; N1565-L1567 HydrophobicContact CB-CG 4.23Å; N1565-L1567 PolarHBondContact O-N 3.12Å |
| 1566 | G | 69.1 | Low | 72.8 | Confident | 48 Ų | 48 | 68.8 Ų | 68.8 | 50% | 0.495 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 18.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | F1562 L1563 E1564 R1568 | F1562-G1566 PolarHBondContact O-N 3.29Å; F1562-G1566 VanDerWaalsContact O-N 3.16Å; L1563-G1566 PolarHBondContact O-N 3.47Å; E1564-G1566 VanDerWaalsContact C-N 3.28Å; E1564-G1566 PolarHBondContact O-N 2.92Å; G1566-R1568 PolarHBondContact O-N 3.43Å |
| 1567 | L | 73.5 | Confident | 72.6 | Confident | 81 Ų | 81 | 71 Ų | 71 | 42% | 0.424 | 35% | 0.352 | S | S | . | . | trans | -83 | 76.5 | -179.2 | -66.4 | 171.6 | 0 | 0 | 0 | 111.1 | F1562 N1565 E1569 C1570 F1571 | F1562-L1567 HydrophobicContact CD1-CB 4.48Å; F1562-L1567 HydrophobicContact CD1-CD1 4.2Å; F1562-L1567 PolarHBondContact O-N 2.76Å; N1565-L1567 VanDerWaalsContact C-N 3.3Å; N1565-L1567 HydrophobicContact CB-CD1 4.21Å; N1565-L1567 HydrophobicContact CB-CG 4.23Å; N1565-L1567 PolarHBondContact O-N 3.12Å; L1567-E1569 PolarHBondContact O-N 3.47Å; L1567-C1570 HydrophobicContact CB-CB 3.93Å; L1567-C1570 WeakPolarHBondContact O-CB 3.34Å; L1567-C1570 PolarHBondContact O-N 2.73Å; L1567-F1571 PolarHBondContact O-N 3.34Å; L1567-F1571 VanDerWaalsContact O-N 3.07Å | ||
| 1568 | R | 70.6 | Confident | 72.5 | Confident | 150 Ų | 150 | 64.7 Ų | 64.7 | 57% | 0.566 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.5 | -34.4 | -173.1 | -61.2 | 176 | -177.3 | 176 | -1.3 | 114.4 | G1566 F1571 A1572 L1596 | G1566-R1568 PolarHBondContact O-N 3.43Å; R1568-F1571 WeakPolarHBondContact O-CB 3.35Å; R1568-F1571 PolarHBondContact O-N 2.85Å; R1568-A1572 PolarHBondContact O-N 3.4Å; R1568-L1596 HydrophobicContact CB-CD2 4.43Å; R1568-L1596 HydrophobicContact CG-CD1 4.45Å; R1568-L1596 HydrophobicContact CG-CD2 3.89Å |
| 1569 | E | 73.7 | Confident | 72.6 | Confident | 166 Ų | 166 | 67 Ų | 67 | 78% | 0.776 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -69.1 | -39.3 | 176 | -65.9 | -179.2 | 178.2 | 0 | 0 | 111.1 | L1567 F1571 A1572 A1573 | L1567-E1569 PolarHBondContact O-N 3.47Å; E1569-F1571 VanDerWaalsContact C-N 3.33Å; E1569-F1571 PolarHBondContact O-N 3.35Å; E1569-A1572 PolarHBondContact O-N 3.5Å; E1569-A1573 PolarHBondContact O-N 3.32Å |
| 1570 | C | 71.8 | Confident | 72.5 | Confident | 39 Ų | 39 | 71.7 Ų | 71.7 | 26% | 0.264 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 175.8 | -64.9 | 0 | 0 | 0 | 0 | 112 | M1543 F1562 L1567 A1573 A1574 | M1543-C1570 VanDerWaalsContact CE-CA 3.41Å; M1543-C1570 HydrophobicContact CE-CB 3.35Å; M1543-C1570 WeakPolarHBondContact CE-O 3.41Å; F1562-C1570 HydrophobicContact CB-CB 4.35Å; F1562-C1570 HydrophobicContact CD1-CB 3.74Å; F1562-C1570 HydrophobicContact CD2-CB 3.98Å; F1562-C1570 HydrophobicContact CE1-CB 3.98Å; F1562-C1570 HydrophobicContact CE2-CB 4.18Å; F1562-C1570 HydrophobicContact CG-CB 3.77Å; F1562-C1570 HydrophobicContact CZ-CB 4.2Å; L1567-C1570 HydrophobicContact CB-CB 3.93Å; L1567-C1570 WeakPolarHBondContact O-CB 3.34Å; L1567-C1570 PolarHBondContact O-N 2.73Å; C1570-A1573 PolarHBondContact O-N 3.22Å; C1570-A1574 VanDerWaalsContact O-CB 3.29Å; C1570-A1574 WeakPolarHBondContact O-CB 3.37Å; C1570-A1574 PolarHBondContact O-N 3.46Å |
| 1571 | F | 74.9 | Confident | 72.4 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.2 | -47.6 | 172.9 | 173.4 | -104.8 | 0 | 0 | 0 | 112.1 | I1559 L1563 L1567 R1568 E1569 A1574 L1575 A1591 L1596 | I1559-F1571 HydrophobicContact CD1-CE2 4.46Å; I1559-F1571 HydrophobicContact CG1-CD2 4.4Å; I1559-F1571 HydrophobicContact CG2-CD2 3.73Å; I1559-F1571 HydrophobicContact CG2-CE2 3.54Å; L1563-F1571 HydrophobicContact CD1-CD2 4.01Å; L1563-F1571 HydrophobicContact CD1-CE2 3.8Å; L1563-F1571 HydrophobicContact CD2-CB 4.4Å; L1563-F1571 HydrophobicContact CD2-CD1 4.42Å; L1563-F1571 HydrophobicContact CD2-CD2 3.65Å; L1563-F1571 HydrophobicContact CD2-CE2 3.94Å; L1563-F1571 HydrophobicContact CD2-CG 3.9Å; L1563-F1571 HydrophobicContact CD2-CZ 4.43Å; L1563-F1571 HydrophobicContact CG-CD2 3.75Å; L1563-F1571 HydrophobicContact CG-CE2 4.06Å; L1563-F1571 HydrophobicContact CG-CG 4.42Å; L1567-F1571 PolarHBondContact O-N 3.34Å; L1567-F1571 VanDerWaalsContact O-N 3.07Å; R1568-F1571 WeakPolarHBondContact O-CB 3.35Å; R1568-F1571 PolarHBondContact O-N 2.85Å; E1569-F1571 VanDerWaalsContact C-N 3.33Å; E1569-F1571 PolarHBondContact O-N 3.35Å; F1571-A1574 PolarHBondContact O-N 3.09Å; F1571-L1575 HydrophobicContact CD1-CD1 3.94Å; F1571-L1575 HydrophobicContact CE1-CD1 3.42Å; F1571-L1575 VanDerWaalsContact CE1-CD1 3.42Å; F1571-L1575 HydrophobicContact CE1-CG 4.33Å; F1571-L1575 HydrophobicContact CE2-CD1 4.21Å; F1571-L1575 HydrophobicContact CE2-CG 4.33Å; F1571-L1575 HydrophobicContact CZ-CD1 3.59Å; F1571-L1575 HydrophobicContact CZ-CD2 4.42Å; F1571-L1575 HydrophobicContact CZ-CG 4.18Å; F1571-L1575 WeakPolarHBondContact O-CG 3.48Å; F1571-L1575 PolarHBondContact O-N 2.95Å; F1571-A1591 HydrophobicContact CZ-CB 4.32Å; F1571-L1596 HydrophobicContact CD1-CD1 4.25Å; F1571-L1596 HydrophobicContact CE1-CB 4.21Å; F1571-L1596 HydrophobicContact CE1-CD1 4.46Å |
| 1572 | A | 72.6 | Confident | 72.4 | Confident | 31 Ų | 31 | 62.9 Ų | 62.9 | 26% | 0.256 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.6 | -38 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1568 E1569 L1575 Y1576 Y1599 | R1568-A1572 PolarHBondContact O-N 3.4Å; E1569-A1572 PolarHBondContact O-N 3.5Å; A1572-L1575 PolarHBondContact O-N 3.07Å; A1572-Y1576 PolarHBondContact O-N 3.37Å; A1572-Y1599 HydrophobicContact CB-CD1 4Å |
| 1573 | A | 72.9 | Confident | 72.5 | Confident | 39 Ų | 39 | 66.4 Ų | 66.4 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1543 E1569 C1570 L1575 Y1576 Q1577 | M1543-A1573 HydrophobicContact CE-CB 4.1Å; M1543-A1573 HydrophobicContact SD-CB 4.16Å; E1569-A1573 PolarHBondContact O-N 3.32Å; C1570-A1573 PolarHBondContact O-N 3.22Å; A1573-L1575 VanDerWaalsContact C-N 3.33Å; A1573-L1575 PolarHBondContact O-N 3.08Å; A1573-Y1576 PolarHBondContact O-N 2.92Å; A1573-Y1576 VanDerWaalsContact O-N 3.1Å; A1573-Q1577 WeakPolarHBondContact O-CB 3.32Å; A1573-Q1577 PolarHBondContact O-N 3.05Å |
| 1574 | A | 72.6 | Confident | 72.8 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.008 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1543 I1559 F1562 C1570 F1571 Y1576 Q1577 C1578 | M1543-A1574 HydrophobicContact CE-CB 4.49Å; I1559-A1574 HydrophobicContact CD1-CB 4.38Å; I1559-A1574 HydrophobicContact CG1-CB 3.94Å; F1562-A1574 HydrophobicContact CD2-CB 4.08Å; F1562-A1574 HydrophobicContact CE2-CB 3.98Å; C1570-A1574 VanDerWaalsContact O-CB 3.29Å; C1570-A1574 WeakPolarHBondContact O-CB 3.37Å; C1570-A1574 PolarHBondContact O-N 3.46Å; F1571-A1574 PolarHBondContact O-N 3.09Å; A1574-Y1576 VanDerWaalsContact C-N 3.28Å; A1574-Y1576 PolarHBondContact O-N 3.37Å; A1574-Q1577 PolarHBondContact O-N 3.45Å; A1574-C1578 VanDerWaalsContact O-CB 3.32Å; A1574-C1578 WeakPolarHBondContact O-CB 3.19Å; A1574-C1578 PolarHBondContact O-N 2.94Å |
| 1575 | L | 74.1 | Confident | 73 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.1 | -33.5 | 173.4 | -74.6 | 175.3 | 0 | 0 | 0 | 113.3 | I1559 F1571 A1572 A1573 Y1579 L1582 I1587 A1600 Y1603 | I1559-L1575 HydrophobicContact CD1-CD2 3.98Å; I1559-L1575 HydrophobicContact CD1-CG 4.4Å; F1571-L1575 HydrophobicContact CD1-CD1 3.94Å; F1571-L1575 HydrophobicContact CE1-CD1 3.42Å; F1571-L1575 VanDerWaalsContact CE1-CD1 3.42Å; F1571-L1575 HydrophobicContact CE1-CG 4.33Å; F1571-L1575 HydrophobicContact CE2-CD1 4.21Å; F1571-L1575 HydrophobicContact CE2-CG 4.33Å; F1571-L1575 HydrophobicContact CZ-CD1 3.59Å; F1571-L1575 HydrophobicContact CZ-CD2 4.42Å; F1571-L1575 HydrophobicContact CZ-CG 4.18Å; F1571-L1575 WeakPolarHBondContact O-CG 3.48Å; F1571-L1575 PolarHBondContact O-N 2.95Å; A1572-L1575 PolarHBondContact O-N 3.07Å; A1573-L1575 VanDerWaalsContact C-N 3.33Å; A1573-L1575 PolarHBondContact O-N 3.08Å; L1575-Y1579 WeakPolarHBondContact O-CA 3.49Å; L1575-Y1579 VanDerWaalsContact O-CB 3.23Å; L1575-Y1579 WeakPolarHBondContact O-CB 3.24Å; L1575-L1582 HydrophobicContact CD2-CD1 3.99Å; L1575-I1587 HydrophobicContact CD1-CG2 4.43Å; L1575-I1587 HydrophobicContact CD2-CB 4.26Å; L1575-I1587 HydrophobicContact CD2-CD1 3.67Å; L1575-I1587 HydrophobicContact CD2-CG1 3.78Å; L1575-I1587 HydrophobicContact CD2-CG2 3.44Å; L1575-I1587 VanDerWaalsContact CD2-CG2 3.44Å; L1575-A1600 HydrophobicContact CD1-CB 4.06Å; L1575-Y1603 HydrophobicContact CD2-CD2 4.39Å; L1575-Y1603 HydrophobicContact CD2-CG 4.37Å |
| 1576 | Y | 73.8 | Confident | 73.2 | Confident | 201 Ų | 201 | 62.5 Ų | 62.5 | 79% | 0.788 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -78.4 | -39.2 | 178.2 | -167.4 | -92.5 | 0 | 0 | 0 | 111.8 | A1572 A1573 A1574 | A1572-Y1576 PolarHBondContact O-N 3.37Å; A1573-Y1576 PolarHBondContact O-N 2.92Å; A1573-Y1576 VanDerWaalsContact O-N 3.1Å; A1574-Y1576 VanDerWaalsContact C-N 3.28Å; A1574-Y1576 PolarHBondContact O-N 3.37Å |
| 1577 | Q | 70.4 | Confident | 73.6 | Confident | 89 Ų | 89 | 60.2 Ų | 60.2 | 42% | 0.416 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -86.2 | -32.9 | -172.2 | -146.2 | 160 | 3 | 0 | 0 | 112.9 | A1573 A1574 | A1573-Q1577 WeakPolarHBondContact O-CB 3.32Å; A1573-Q1577 PolarHBondContact O-N 3.05Å; A1574-Q1577 PolarHBondContact O-N 3.45Å |
| 1578 | C | 70.4 | Confident | 73.8 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -104.8 | 25.8 | 176.9 | -55.7 | 0 | 0 | 0 | 0 | 112.2 | A1547 A1555 A1574 D1580 L1581 L1582 | A1547-C1578 PolarHBondContact N-SG 2.72Å; A1547-C1578 VanDerWaalsContact N-SG 3.44Å; A1555-C1578 HydrophobicContact CB-CB 4.17Å; A1574-C1578 VanDerWaalsContact O-CB 3.32Å; A1574-C1578 WeakPolarHBondContact O-CB 3.19Å; A1574-C1578 PolarHBondContact O-N 2.94Å; C1578-D1580 VanDerWaalsContact C-N 3.25Å; C1578-D1580 PolarHBondContact O-N 3.39Å; C1578-D1580 VanDerWaalsContact O-N 3.16Å; C1578-L1581 PolarHBondContact O-N 3.49Å; C1578-L1581 VanDerWaalsContact O-N 3.14Å; C1578-L1582 HydrophobicContact CB-CD1 3.88Å; C1578-L1582 HydrophobicContact CB-CG 4.17Å; C1578-L1582 WeakPolarHBondContact O-CD1 3.1Å; C1578-L1582 VanDerWaalsContact O-CG 3.28Å; C1578-L1582 WeakPolarHBondContact O-CG 3.2Å; C1578-L1582 PolarHBondContact O-N 3.22Å |
| 1579 | Y | 73.6 | Confident | 74 | Confident | 65 Ų | 65 | 57.7 Ų | 57.7 | 26% | 0.255 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -34.2 | -167.4 | 120.7 | -89.7 | 0 | 0 | 0 | 113.8 | L1575 Y1603 Q1606 V1607 E1610 | L1575-Y1579 WeakPolarHBondContact O-CA 3.49Å; L1575-Y1579 VanDerWaalsContact O-CB 3.23Å; L1575-Y1579 WeakPolarHBondContact O-CB 3.24Å; Y1579-Y1603 HydrophobicContact CD2-CD2 4.3Å; Y1579-Y1603 HydrophobicContact CD2-CE2 4.19Å; Y1579-Y1603 VanDerWaalsContact O-CE2 3.28Å; Y1579-Y1603 WeakPolarHBondContact O-CE2 3.29Å; Y1579-Q1606 HydrophobicContact CE2-CG 4.24Å; Y1579-V1607 HydrophobicContact CE2-CG2 4.49Å; Y1579-E1610 PolarHBondContact OH-OE1 3.15Å; Y1579-E1610 PolarHBondContact OH-OE2 2.79Å |
| 1580 | D | 72.1 | Confident | 74.1 | Confident | 100 Ų | 100 | 51 Ų | 51 | 54% | 0.535 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -19.1 | -176.3 | 58.4 | -34.1 | 0 | 0 | 0 | 113.7 | C1578 | C1578-D1580 VanDerWaalsContact C-N 3.25Å; C1578-D1580 PolarHBondContact O-N 3.39Å; C1578-D1580 VanDerWaalsContact O-N 3.16Å |
| 1581 | L | 72.4 | Confident | 74.3 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 10% | 0.099 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -25.5 | -178.6 | -58 | 178.9 | 0 | 0 | 0 | 113.3 | A1546 R1550 P1552 A1555 C1578 | A1546-L1581 VanDerWaalsContact O-CD1 3.23Å; A1546-L1581 WeakPolarHBondContact O-CD1 3.43Å; R1550-L1581 VanDerWaalsContact CA-CD2 3.47Å; R1550-L1581 HydrophobicContact CB-CD2 3.91Å; R1550-L1581 HydrophobicContact CG-CD2 4.22Å; P1552-L1581 VanDerWaalsContact CB-O 3.29Å; P1552-L1581 WeakPolarHBondContact CB-O 3.45Å; A1555-L1581 HydrophobicContact CB-CB 4.37Å; C1578-L1581 PolarHBondContact O-N 3.49Å; C1578-L1581 VanDerWaalsContact O-N 3.14Å |
| 1582 | L | 73.5 | Confident | 74.4 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -84.8 | 128.8 | -172.2 | -65.4 | 166.6 | 0 | 0 | 0 | 109.5 | A1555 E1556 I1559 L1575 C1578 I1587 Y1603 | A1555-L1582 HydrophobicContact CB-CD2 3.62Å; A1555-L1582 HydrophobicContact CB-CG 4.29Å; E1556-L1582 HydrophobicContact CG-CD2 4.01Å; I1559-L1582 HydrophobicContact CD1-CD1 3.29Å; I1559-L1582 HydrophobicContact CD1-CD2 3.63Å; I1559-L1582 HydrophobicContact CD1-CG 4.07Å; L1575-L1582 HydrophobicContact CD2-CD1 3.99Å; C1578-L1582 HydrophobicContact CB-CD1 3.88Å; C1578-L1582 HydrophobicContact CB-CG 4.17Å; C1578-L1582 WeakPolarHBondContact O-CD1 3.1Å; C1578-L1582 VanDerWaalsContact O-CG 3.28Å; C1578-L1582 WeakPolarHBondContact O-CG 3.2Å; C1578-L1582 PolarHBondContact O-N 3.22Å; L1582-I1587 HydrophobicContact CB-CD1 4Å; L1582-I1587 HydrophobicContact CB-CG1 3.76Å; L1582-I1587 HydrophobicContact CD1-CD1 4.16Å; L1582-I1587 HydrophobicContact CD2-CD1 4.1Å; L1582-I1587 HydrophobicContact CG-CD1 4.31Å; L1582-Y1603 HydrophobicContact CB-CE2 4.37Å; L1582-Y1603 PolarHBondContact O-OH 2.92Å |
| 1583 | H | 76.5 | Confident | 74.5 | Confident | 91 Ų | 91 | 63.5 Ų | 63.5 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | trans | -74.4 | 128.8 | 178.5 | -63.8 | 97.7 | 0 | 0 | 0 | 110.5 | E1556 D1585 V1586 I1587 | E1556-H1583 IonicContact OE1-CE1 3.94Å; E1556-H1583 IonicContact OE1-CG 3.84Å; E1556-H1583 IonicContact OE1-ND1 2.93Å; E1556-H1583 PolarHBondContact OE1-ND1 2.76Å; H1583-D1585 WeakPolarHBondContact CB-OD1 3.07Å; H1583-D1585 PolarHBondContact O-N 3.17Å; H1583-V1586 HydrophobicContact CB-CB 4.28Å; H1583-V1586 HydrophobicContact CB-CG2 3.91Å; H1583-V1586 PolarHBondContact O-N 2.77Å; H1583-V1586 VanDerWaalsContact O-N 3.11Å; H1583-I1587 PolarHBondContact O-N 3.18Å | ||
| 1584 | P | 75.4 | Confident | 74.7 | Confident | 40 Ų | 40 | 65.3 Ų | 65.3 | 26% | 0.26 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.2 | -32.4 | -173.5 | -23.9 | 31.2 | 0 | 0 | 0 | 114.2 | L1588 Y1603 V1607 | P1584-L1588 VanDerWaalsContact O-CB 3.29Å; P1584-L1588 WeakPolarHBondContact O-CB 3.41Å; P1584-L1588 WeakPolarHBondContact O-CD1 3.05Å; P1584-L1588 WeakPolarHBondContact O-CG 3.34Å; P1584-L1588 PolarHBondContact O-N 3.21Å; P1584-Y1603 HydrophobicContact CB-CE1 4.26Å; P1584-V1607 HydrophobicContact CB-CG1 4.18Å; P1584-V1607 HydrophobicContact CG-CG1 3.69Å; P1584-V1607 HydrophobicContact CG-CG2 4.29Å |
| 1585 | D | 76.2 | Confident | 75 | Confident | 110 Ų | 110 | 73.8 Ų | 73.8 | 59% | 0.588 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -68.1 | -44.7 | 176 | 58.7 | -26.8 | 0 | 0 | 0 | 112 | H1583 L1588 E1589 | H1583-D1585 WeakPolarHBondContact CB-OD1 3.07Å; H1583-D1585 PolarHBondContact O-N 3.17Å; D1585-L1588 PolarHBondContact O-N 2.88Å; D1585-E1589 WeakPolarHBondContact O-CB 3.22Å; D1585-E1589 PolarHBondContact O-N 3.42Å |
| 1586 | V | 78 | Confident | 75.1 | Confident | 32 Ų | 32 | 74.1 Ų | 74.1 | 19% | 0.194 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63 | -44.5 | 176.5 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | E1556 H1583 E1589 M1590 | E1556-V1586 HydrophobicContact CG-CG1 4.23Å; H1583-V1586 HydrophobicContact CB-CB 4.28Å; H1583-V1586 HydrophobicContact CB-CG2 3.91Å; H1583-V1586 PolarHBondContact O-N 2.77Å; H1583-V1586 VanDerWaalsContact O-N 3.11Å; V1586-E1589 PolarHBondContact O-N 3.4Å; V1586-M1590 HydrophobicContact CG1-CG 4.42Å; V1586-M1590 HydrophobicContact CG1-SD 4.15Å; V1586-M1590 WeakPolarHBondContact O-CB 3Å; V1586-M1590 WeakPolarHBondContact O-CG 3.46Å; V1586-M1590 PolarHBondContact O-N 3.33Å |
| 1587 | I | 77.4 | Confident | 75.2 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 177.6 | -65.5 | -48.4 | 0 | 0 | 0 | 111.9 | I1559 L1575 L1582 H1583 E1589 M1590 A1591 A1600 Y1603 | I1559-I1587 HydrophobicContact CD1-CD1 3.66Å; I1559-I1587 HydrophobicContact CG2-CD1 4.46Å; L1575-I1587 HydrophobicContact CD1-CG2 4.43Å; L1575-I1587 HydrophobicContact CD2-CB 4.26Å; L1575-I1587 HydrophobicContact CD2-CD1 3.67Å; L1575-I1587 HydrophobicContact CD2-CG1 3.78Å; L1575-I1587 HydrophobicContact CD2-CG2 3.44Å; L1575-I1587 VanDerWaalsContact CD2-CG2 3.44Å; L1582-I1587 HydrophobicContact CB-CD1 4Å; L1582-I1587 HydrophobicContact CB-CG1 3.76Å; L1582-I1587 HydrophobicContact CD1-CD1 4.16Å; L1582-I1587 HydrophobicContact CD2-CD1 4.1Å; L1582-I1587 HydrophobicContact CG-CD1 4.31Å; H1583-I1587 PolarHBondContact O-N 3.18Å; I1587-E1589 VanDerWaalsContact C-N 3.31Å; I1587-E1589 PolarHBondContact O-N 3.17Å; I1587-M1590 PolarHBondContact O-N 2.86Å; I1587-A1591 WeakPolarHBondContact O-CB 3.26Å; I1587-A1591 PolarHBondContact O-N 2.84Å; I1587-A1600 HydrophobicContact CG2-CB 4.09Å; I1587-Y1603 HydrophobicContact CB-CE1 4.12Å; I1587-Y1603 HydrophobicContact CG1-CE1 4.29Å; I1587-Y1603 HydrophobicContact CG2-CD1 4Å; I1587-Y1603 HydrophobicContact CG2-CE1 4.08Å |
| 1588 | L | 76.6 | Confident | 75.6 | Confident | 80 Ų | 80 | 70 Ų | 70 | 42% | 0.419 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 175.1 | -86 | 161.5 | 0 | 0 | 0 | 111.1 | P1584 D1585 W1592 V1604 | P1584-L1588 VanDerWaalsContact O-CB 3.29Å; P1584-L1588 WeakPolarHBondContact O-CB 3.41Å; P1584-L1588 WeakPolarHBondContact O-CD1 3.05Å; P1584-L1588 WeakPolarHBondContact O-CG 3.34Å; P1584-L1588 PolarHBondContact O-N 3.21Å; D1585-L1588 PolarHBondContact O-N 2.88Å; L1588-W1592 WeakPolarHBondContact O-CB 3.21Å; L1588-W1592 PolarHBondContact O-N 2.96Å; L1588-V1604 HydrophobicContact CD2-CG2 4.01Å; L1588-V1604 HydrophobicContact CG-CG2 4.15Å |
| 1589 | E | 75 | Confident | 75.8 | Confident | 97 Ų | 97 | 75.3 Ų | 75.3 | 45% | 0.453 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.1 | -47.5 | 176.8 | -171.2 | -178.5 | 179.7 | 0 | 0 | 111.7 | D1585 V1586 I1587 W1592 K1593 | D1585-E1589 WeakPolarHBondContact O-CB 3.22Å; D1585-E1589 PolarHBondContact O-N 3.42Å; V1586-E1589 PolarHBondContact O-N 3.4Å; I1587-E1589 VanDerWaalsContact C-N 3.31Å; I1587-E1589 PolarHBondContact O-N 3.17Å; E1589-W1592 PolarHBondContact O-N 3.2Å; E1589-K1593 HydrophobicContact CG-CD 4.24Å; E1589-K1593 WeakPolarHBondContact O-CB 3.5Å; E1589-K1593 WeakPolarHBondContact O-CG 3.23Å; E1589-K1593 PolarHBondContact O-N 2.91Å; E1589-K1593 WeakPolarHBondContact OE1-CE 3.3Å; E1589-K1593 IonicContact OE1-NZ 2.62Å; E1589-K1593 PolarHBondContact OE1-NZ 2.95Å |
| 1590 | M | 76 | Confident | 76 | Confident | 27 Ų | 27 | 72.3 Ų | 72.3 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 179.1 | -77.4 | -175.2 | 153.1 | 0 | 0 | 112.5 | I1559 Q1560 L1563 V1586 I1587 N1594 | I1559-M1590 HydrophobicContact CG2-SD 3.6Å; Q1560-M1590 HydrophobicContact CB-CE 3.81Å; Q1560-M1590 HydrophobicContact CG-CE 3.85Å; L1563-M1590 HydrophobicContact CD1-CB 3.93Å; L1563-M1590 HydrophobicContact CD1-CG 4.37Å; L1563-M1590 HydrophobicContact CD1-SD 4.13Å; V1586-M1590 HydrophobicContact CG1-CG 4.42Å; V1586-M1590 HydrophobicContact CG1-SD 4.15Å; V1586-M1590 WeakPolarHBondContact O-CB 3Å; V1586-M1590 WeakPolarHBondContact O-CG 3.46Å; V1586-M1590 PolarHBondContact O-N 3.33Å; I1587-M1590 PolarHBondContact O-N 2.86Å; M1590-N1594 WeakPolarHBondContact O-CB 3.42Å; M1590-N1594 PolarHBondContact O-N 2.86Å; M1590-N1594 VanDerWaalsContact O-N 3.09Å; M1590-N1594 PolarHBondContact O-ND2 2.85Å |
| 1591 | A | 76.5 | Confident | 76.4 | Confident | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.7 | -38.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1571 I1587 Q1595 L1596 A1600 | F1571-A1591 HydrophobicContact CZ-CB 4.32Å; I1587-A1591 WeakPolarHBondContact O-CB 3.26Å; I1587-A1591 PolarHBondContact O-N 2.84Å; A1591-Q1595 CarbonylContact O-C 3.58Å; A1591-Q1595 PolarHBondContact O-N 3.1Å; A1591-L1596 PolarHBondContact O-N 3.47Å; A1591-A1600 HydrophobicContact CB-CB 3.66Å |
| 1592 | W | 76 | Confident | 76.7 | Confident | 193 Ų | 193 | 74.4 Ų | 74.4 | 73% | 0.731 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.9 | -46.9 | 175.9 | -178.9 | 65.2 | 0 | 0 | 0 | 112.1 | L1588 E1589 N1594 Q1595 | L1588-W1592 WeakPolarHBondContact O-CB 3.21Å; L1588-W1592 PolarHBondContact O-N 2.96Å; E1589-W1592 PolarHBondContact O-N 3.2Å; W1592-N1594 VanDerWaalsContact C-N 3.28Å; W1592-N1594 PolarHBondContact O-N 2.82Å; W1592-Q1595 PolarHBondContact O-N 3.23Å |
| 1593 | K | 75.3 | Confident | 76.9 | Confident | 138 Ų | 138 | 74.9 Ų | 74.9 | 60% | 0.6 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59.2 | -37.7 | 177.5 | -78.6 | 179.8 | -176.7 | 168.4 | 0 | 112.7 | E1589 | E1589-K1593 HydrophobicContact CG-CD 4.24Å; E1589-K1593 WeakPolarHBondContact O-CB 3.5Å; E1589-K1593 WeakPolarHBondContact O-CG 3.23Å; E1589-K1593 PolarHBondContact O-N 2.91Å; E1589-K1593 WeakPolarHBondContact OE1-CE 3.3Å; E1589-K1593 IonicContact OE1-NZ 2.62Å; E1589-K1593 PolarHBondContact OE1-NZ 2.95Å |
| 1594 | N | 76.6 | Confident | 77 | Confident | 76 Ų | 76 | 71.5 Ų | 71.5 | 41% | 0.406 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 4.9 | -178 | -67.6 | -73.6 | 0 | 0 | 0 | 114.3 | L1563 M1590 W1592 L1596 | L1563-N1594 HydrophobicContact CD2-CB 4.22Å; M1590-N1594 WeakPolarHBondContact O-CB 3.42Å; M1590-N1594 PolarHBondContact O-N 2.86Å; M1590-N1594 VanDerWaalsContact O-N 3.09Å; M1590-N1594 PolarHBondContact O-ND2 2.85Å; W1592-N1594 VanDerWaalsContact C-N 3.28Å; W1592-N1594 PolarHBondContact O-N 2.82Å; N1594-L1596 VanDerWaalsContact C-N 3.3Å; N1594-L1596 HydrophobicContact CB-CD1 3.98Å; N1594-L1596 HydrophobicContact CB-CG 4.26Å; N1594-L1596 PolarHBondContact O-N 3.15Å |
| 1595 | Q | 78.6 | Confident | 77.2 | Confident | 180 Ų | 180 | 74.4 Ų | 74.4 | 84% | 0.841 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 35.2 | -177 | -54.9 | 179.3 | -4.2 | 0 | 0 | 114.2 | A1591 W1592 | A1591-Q1595 CarbonylContact O-C 3.58Å; A1591-Q1595 PolarHBondContact O-N 3.1Å; W1592-Q1595 PolarHBondContact O-N 3.23Å |
| 1596 | L | 76.9 | Confident | 77.3 | Confident | 11 Ų | 11 | 73 Ų | 73 | 6% | 0.058 | 36% | 0.355 | C | S | . | . | trans | -110.3 | 24.7 | -178.7 | -65.3 | 169.4 | 0 | 0 | 0 | 113.1 | L1563 R1568 F1571 A1591 N1594 D1598 Y1599 A1600 | L1563-L1596 HydrophobicContact CD2-CD1 3.27Å; R1568-L1596 HydrophobicContact CB-CD2 4.43Å; R1568-L1596 HydrophobicContact CG-CD1 4.45Å; R1568-L1596 HydrophobicContact CG-CD2 3.89Å; F1571-L1596 HydrophobicContact CD1-CD1 4.25Å; F1571-L1596 HydrophobicContact CE1-CB 4.21Å; F1571-L1596 HydrophobicContact CE1-CD1 4.46Å; A1591-L1596 PolarHBondContact O-N 3.47Å; N1594-L1596 VanDerWaalsContact C-N 3.3Å; N1594-L1596 HydrophobicContact CB-CD1 3.98Å; N1594-L1596 HydrophobicContact CB-CG 4.26Å; N1594-L1596 PolarHBondContact O-N 3.15Å; L1596-D1598 PolarHBondContact O-N 2.92Å; L1596-Y1599 HydrophobicContact CB-CD2 4.39Å; L1596-Y1599 HydrophobicContact CD2-CD2 3.77Å; L1596-Y1599 HydrophobicContact CD2-CE2 4.02Å; L1596-Y1599 PolarHBondContact O-N 3.22Å; L1596-A1600 PolarHBondContact O-N 3.48Å | ||
| 1597 | V | 76.6 | Confident | 77.4 | Confident | 58 Ų | 58 | 72.4 Ų | 72.4 | 35% | 0.352 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -55.1 | -37.4 | -176.4 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | Y1599 A1600 M1601 | V1597-Y1599 VanDerWaalsContact C-N 3.31Å; V1597-Y1599 PolarHBondContact O-N 3.21Å; V1597-A1600 PolarHBondContact O-N 2.88Å; V1597-A1600 VanDerWaalsContact O-N 3.16Å; V1597-M1601 PolarHBondContact O-N 3.22Å |
| 1598 | D | 77.2 | Confident | 77.4 | Confident | 146 Ų | 146 | 77.4 Ų | 77.4 | 78% | 0.781 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.2 | -35.9 | 178.2 | -65 | -25.3 | 0 | 0 | 0 | 112.8 | L1596 | L1596-D1598 PolarHBondContact O-N 2.92Å |
| 1599 | Y | 75.8 | Confident | 77.6 | Confident | 113 Ų | 113 | 81.8 Ų | 81.8 | 44% | 0.443 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -74.3 | -28.7 | 177.6 | -70 | -91.2 | 0 | 0 | 0 | 112.2 | A1572 L1596 V1597 | A1572-Y1599 HydrophobicContact CB-CD1 4Å; L1596-Y1599 HydrophobicContact CB-CD2 4.39Å; L1596-Y1599 HydrophobicContact CD2-CD2 3.77Å; L1596-Y1599 HydrophobicContact CD2-CE2 4.02Å; L1596-Y1599 PolarHBondContact O-N 3.22Å; V1597-Y1599 VanDerWaalsContact C-N 3.31Å; V1597-Y1599 PolarHBondContact O-N 3.21Å |
| 1600 | A | 77.9 | Confident | 77.6 | Confident | 2 Ų | 2 | 80.1 Ų | 80.1 | 2% | 0.017 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -85 | -13.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1575 I1587 A1591 L1596 V1597 Y1603 V1604 | L1575-A1600 HydrophobicContact CD1-CB 4.06Å; I1587-A1600 HydrophobicContact CG2-CB 4.09Å; A1591-A1600 HydrophobicContact CB-CB 3.66Å; L1596-A1600 PolarHBondContact O-N 3.48Å; V1597-A1600 PolarHBondContact O-N 2.88Å; V1597-A1600 VanDerWaalsContact O-N 3.16Å; A1600-Y1603 WeakPolarHBondContact O-CB 3.5Å; A1600-Y1603 PolarHBondContact O-N 2.99Å; A1600-Y1603 VanDerWaalsContact O-N 3.15Å; A1600-V1604 PolarHBondContact O-N 3.07Å; A1600-V1604 VanDerWaalsContact O-N 3.09Å |
| 1601 | M | 79.1 | Confident | 77.7 | Confident | 76 Ų | 76 | 86 Ų | 86 | 37% | 0.374 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.4 | -37.9 | -172.3 | -154.2 | 56.3 | -125.9 | 0 | 0 | 115.1 | V1597 Y1603 V1604 I1605 | V1597-M1601 PolarHBondContact O-N 3.22Å; M1601-Y1603 VanDerWaalsContact C-N 3.29Å; M1601-Y1603 PolarHBondContact O-N 2.88Å; M1601-V1604 HydrophobicContact CE-CB 3.74Å; M1601-V1604 HydrophobicContact CE-CG1 3.61Å; M1601-V1604 PolarHBondContact O-N 2.86Å; M1601-V1604 HydrophobicContact SD-CB 4.33Å; M1601-I1605 HydrophobicContact CE-CD1 4.47Å; M1601-I1605 HydrophobicContact CE-CG1 3.89Å; M1601-I1605 HydrophobicContact CG-CD1 4.48Å; M1601-I1605 WeakPolarHBondContact O-CG1 3.46Å; M1601-I1605 PolarHBondContact O-N 3.38Å |
| 1602 | P | 78.9 | Confident | 77.8 | Confident | 87 Ų | 87 | 89.7 Ų | 89.7 | 57% | 0.565 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -59.2 | -39.9 | 172.7 | -24.8 | 35.3 | 0 | 0 | 0 | 113 | I1605 Q1606 | P1602-I1605 PolarHBondContact O-N 3.2Å; P1602-Q1606 PolarHBondContact O-N 3.42Å; P1602-Q1606 VanDerWaalsContact O-N 3.13Å |
| 1603 | Y | 79.1 | Confident | 78 | Confident | 14 Ų | 14 | 83.3 Ų | 83.3 | 6% | 0.055 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63 | -46.8 | 175.6 | 165.9 | -83.9 | 0 | 0 | 0 | 110.8 | L1575 Y1579 L1582 P1584 I1587 A1600 M1601 I1605 Q1606 V1607 | L1575-Y1603 HydrophobicContact CD2-CD2 4.39Å; L1575-Y1603 HydrophobicContact CD2-CG 4.37Å; Y1579-Y1603 HydrophobicContact CD2-CD2 4.3Å; Y1579-Y1603 HydrophobicContact CD2-CE2 4.19Å; Y1579-Y1603 VanDerWaalsContact O-CE2 3.28Å; Y1579-Y1603 WeakPolarHBondContact O-CE2 3.29Å; L1582-Y1603 HydrophobicContact CB-CE2 4.37Å; L1582-Y1603 PolarHBondContact O-OH 2.92Å; P1584-Y1603 HydrophobicContact CB-CE1 4.26Å; I1587-Y1603 HydrophobicContact CB-CE1 4.12Å; I1587-Y1603 HydrophobicContact CG1-CE1 4.29Å; I1587-Y1603 HydrophobicContact CG2-CD1 4Å; I1587-Y1603 HydrophobicContact CG2-CE1 4.08Å; A1600-Y1603 WeakPolarHBondContact O-CB 3.5Å; A1600-Y1603 PolarHBondContact O-N 2.99Å; A1600-Y1603 VanDerWaalsContact O-N 3.15Å; M1601-Y1603 VanDerWaalsContact C-N 3.29Å; M1601-Y1603 PolarHBondContact O-N 2.88Å; Y1603-I1605 VanDerWaalsContact C-N 3.34Å; Y1603-I1605 PolarHBondContact O-N 2.94Å; Y1603-Q1606 PolarHBondContact O-N 3.2Å; Y1603-V1607 HydrophobicContact CD1-CG2 4.37Å; Y1603-V1607 HydrophobicContact CE1-CG2 3.89Å; Y1603-V1607 HydrophobicContact CE2-CG2 4.17Å; Y1603-V1607 WeakPolarHBondContact O-CG2 3.16Å; Y1603-V1607 PolarHBondContact O-N 3.05Å |
| 1604 | V | 78.2 | Confident | 78 | Confident | 20 Ų | 20 | 82.5 Ų | 82.5 | 12% | 0.121 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 178.5 | 175.7 | 0 | 0 | 0 | 0 | 112.1 | L1588 A1600 M1601 L1608 | L1588-V1604 HydrophobicContact CD2-CG2 4.01Å; L1588-V1604 HydrophobicContact CG-CG2 4.15Å; A1600-V1604 PolarHBondContact O-N 3.07Å; A1600-V1604 VanDerWaalsContact O-N 3.09Å; M1601-V1604 HydrophobicContact CE-CB 3.74Å; M1601-V1604 HydrophobicContact CE-CG1 3.61Å; M1601-V1604 PolarHBondContact O-N 2.86Å; M1601-V1604 HydrophobicContact SD-CB 4.33Å; V1604-L1608 HydrophobicContact CG1-CD1 3.98Å; V1604-L1608 WeakPolarHBondContact O-CB 3.48Å; V1604-L1608 WeakPolarHBondContact O-CG 3.38Å; V1604-L1608 PolarHBondContact O-N 3.12Å |
| 1605 | I | 79.9 | Confident | 78 | Confident | 102 Ų | 102 | 82.5 Ų | 82.5 | 52% | 0.523 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 176.8 | -69.3 | 166.4 | 0 | 0 | 0 | 111 | M1601 P1602 Y1603 L1608 R1609 | M1601-I1605 HydrophobicContact CE-CD1 4.47Å; M1601-I1605 HydrophobicContact CE-CG1 3.89Å; M1601-I1605 HydrophobicContact CG-CD1 4.48Å; M1601-I1605 WeakPolarHBondContact O-CG1 3.46Å; M1601-I1605 PolarHBondContact O-N 3.38Å; P1602-I1605 PolarHBondContact O-N 3.2Å; Y1603-I1605 VanDerWaalsContact C-N 3.34Å; Y1603-I1605 PolarHBondContact O-N 2.94Å; I1605-L1608 PolarHBondContact O-N 3.24Å; I1605-R1609 PolarHBondContact O-N 3.38Å |
| 1606 | Q | 78.2 | Confident | 78.3 | Confident | 81 Ų | 81 | 78 Ų | 78 | 38% | 0.379 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 180 | -174 | 64.8 | 10.1 | 0 | 0 | 111.2 | Y1579 P1602 Y1603 L1608 R1609 E1610 | Y1579-Q1606 HydrophobicContact CE2-CG 4.24Å; P1602-Q1606 PolarHBondContact O-N 3.42Å; P1602-Q1606 VanDerWaalsContact O-N 3.13Å; Y1603-Q1606 PolarHBondContact O-N 3.2Å; Q1606-L1608 PolarHBondContact O-N 3.15Å; Q1606-R1609 PolarHBondContact O-N 3.34Å; Q1606-E1610 PolarHBondContact O-N 2.88Å |
| 1607 | V | 78.8 | Confident | 78.1 | Confident | 18 Ų | 18 | 85.6 Ų | 85.6 | 11% | 0.109 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 176.5 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | Y1579 P1584 Y1603 R1609 E1610 Y1611 | Y1579-V1607 HydrophobicContact CE2-CG2 4.49Å; P1584-V1607 HydrophobicContact CB-CG1 4.18Å; P1584-V1607 HydrophobicContact CG-CG1 3.69Å; P1584-V1607 HydrophobicContact CG-CG2 4.29Å; Y1603-V1607 HydrophobicContact CD1-CG2 4.37Å; Y1603-V1607 HydrophobicContact CE1-CG2 3.89Å; Y1603-V1607 HydrophobicContact CE2-CG2 4.17Å; Y1603-V1607 WeakPolarHBondContact O-CG2 3.16Å; Y1603-V1607 PolarHBondContact O-N 3.05Å; V1607-R1609 VanDerWaalsContact C-N 3.34Å; V1607-R1609 PolarHBondContact O-N 3.49Å; V1607-E1610 PolarHBondContact O-N 3.23Å; V1607-Y1611 HydrophobicContact CG1-CD2 3.71Å; V1607-Y1611 HydrophobicContact CG1-CE2 3.85Å; V1607-Y1611 WeakPolarHBondContact O-CD2 3.47Å; V1607-Y1611 PolarHBondContact O-N 2.94Å |
| 1608 | L | 78.8 | Confident | 77.9 | Confident | 105 Ų | 105 | 88.2 Ų | 88.2 | 55% | 0.55 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 177.5 | -84.9 | 162 | 0 | 0 | 0 | 112.4 | V1604 I1605 Q1606 Y1611 T1612 | V1604-L1608 HydrophobicContact CG1-CD1 3.98Å; V1604-L1608 WeakPolarHBondContact O-CB 3.48Å; V1604-L1608 WeakPolarHBondContact O-CG 3.38Å; V1604-L1608 PolarHBondContact O-N 3.12Å; I1605-L1608 PolarHBondContact O-N 3.24Å; Q1606-L1608 PolarHBondContact O-N 3.15Å; L1608-Y1611 PolarHBondContact O-N 2.9Å; L1608-T1612 PolarHBondContact O-N 2.98Å; L1608-T1612 PolarHBondContact O-OG1 3.33Å |
| 1609 | R | 80 | Confident | 77.8 | Confident | 172 Ų | 172 | 85.8 Ų | 85.8 | 65% | 0.649 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.4 | -45.1 | 176.9 | -177.9 | -179.2 | 178 | -178 | -0.6 | 111.3 | I1605 Q1606 V1607 T1612 T1613 | I1605-R1609 PolarHBondContact O-N 3.38Å; Q1606-R1609 PolarHBondContact O-N 3.34Å; V1607-R1609 VanDerWaalsContact C-N 3.34Å; V1607-R1609 PolarHBondContact O-N 3.49Å; R1609-T1612 PolarHBondContact O-N 2.95Å; R1609-T1613 WeakPolarHBondContact O-CB 3.47Å; R1609-T1613 PolarHBondContact O-N 2.95Å; R1609-T1613 PolarHBondContact O-OG1 3.12Å |
| 1610 | E | 75.9 | Confident | 77.8 | Confident | 62 Ų | 62 | 86.4 Ų | 86.4 | 29% | 0.29 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 178.3 | -75.1 | -147.8 | 165.7 | 0 | 0 | 112.8 | Y1579 Q1606 V1607 T1612 T1613 K1614 | Y1579-E1610 PolarHBondContact OH-OE1 3.15Å; Y1579-E1610 PolarHBondContact OH-OE2 2.79Å; Q1606-E1610 PolarHBondContact O-N 2.88Å; V1607-E1610 PolarHBondContact O-N 3.23Å; E1610-T1612 VanDerWaalsContact C-N 3.31Å; E1610-T1612 PolarHBondContact O-N 2.74Å; E1610-T1613 PolarHBondContact O-N 2.96Å; E1610-K1614 WeakPolarHBondContact O-CB 3.48Å; E1610-K1614 WeakPolarHBondContact O-CG 3.15Å; E1610-K1614 PolarHBondContact O-N 3.36Å; E1610-K1614 IonicContact OE2-NZ 3.83Å |
| 1611 | Y | 76.7 | Confident | 77.6 | Confident | 150 Ų | 150 | 89.5 Ų | 89.5 | 59% | 0.588 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -59.1 | -44.4 | 175.9 | -95.4 | -76.8 | 0 | 0 | 0 | 111.4 | V1607 L1608 T1613 K1614 V1615 | V1607-Y1611 HydrophobicContact CG1-CD2 3.71Å; V1607-Y1611 HydrophobicContact CG1-CE2 3.85Å; V1607-Y1611 WeakPolarHBondContact O-CD2 3.47Å; V1607-Y1611 PolarHBondContact O-N 2.94Å; L1608-Y1611 PolarHBondContact O-N 2.9Å; Y1611-T1613 PolarHBondContact O-N 3.2Å; Y1611-K1614 PolarHBondContact O-N 3.37Å; Y1611-V1615 WeakPolarHBondContact O-CB 3.4Å; Y1611-V1615 VanDerWaalsContact O-CG2 3.23Å; Y1611-V1615 WeakPolarHBondContact O-CG2 3.33Å; Y1611-V1615 PolarHBondContact O-N 3.08Å |
| 1612 | T | 80.1 | Confident | 77.3 | Confident | 79 Ų | 79 | 91.2 Ų | 91.2 | 49% | 0.485 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 176.8 | -47.3 | 0 | 0 | 0 | 0 | 110.7 | L1608 R1609 E1610 K1614 V1615 D1616 | L1608-T1612 PolarHBondContact O-N 2.98Å; L1608-T1612 PolarHBondContact O-OG1 3.33Å; R1609-T1612 PolarHBondContact O-N 2.95Å; E1610-T1612 VanDerWaalsContact C-N 3.31Å; E1610-T1612 PolarHBondContact O-N 2.74Å; T1612-K1614 PolarHBondContact O-N 2.75Å; T1612-V1615 PolarHBondContact O-N 2.67Å; T1612-D1616 VanDerWaalsContact O-CG 3.3Å; T1612-D1616 PolarHBondContact O-N 2.97Å |
| 1613 | T | 78.7 | Confident | 77 | Confident | 59 Ų | 59 | 89.7 Ų | 89.7 | 36% | 0.362 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.5 | -37.6 | -179.4 | -44.1 | 0 | 0 | 0 | 0 | 112.5 | R1609 E1610 Y1611 D1616 R1617 | R1609-T1613 WeakPolarHBondContact O-CB 3.47Å; R1609-T1613 PolarHBondContact O-N 2.95Å; R1609-T1613 PolarHBondContact O-OG1 3.12Å; E1610-T1613 PolarHBondContact O-N 2.96Å; Y1611-T1613 PolarHBondContact O-N 3.2Å; T1613-D1616 PolarHBondContact O-N 3.39Å; T1613-R1617 WeakPolarHBondContact O-CG 3.25Å; T1613-R1617 PolarHBondContact O-N 3.14Å |
| 1614 | K | 76.9 | Confident | 76.6 | Confident | 122 Ų | 122 | 94.6 Ų | 94.6 | 53% | 0.53 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 175.3 | -79 | 174.7 | 179.2 | 161.9 | 0 | 111.3 | E1610 Y1611 T1612 L1618 | E1610-K1614 WeakPolarHBondContact O-CB 3.48Å; E1610-K1614 WeakPolarHBondContact O-CG 3.15Å; E1610-K1614 PolarHBondContact O-N 3.36Å; E1610-K1614 IonicContact OE2-NZ 3.83Å; Y1611-K1614 PolarHBondContact O-N 3.37Å; T1612-K1614 PolarHBondContact O-N 2.75Å; K1614-L1618 WeakPolarHBondContact O-CB 3.35Å; K1614-L1618 PolarHBondContact O-N 2.91Å |
| 1615 | V | 76.4 | Confident | 76.1 | Confident | 76 Ų | 76 | 102.8 Ų | 102.8 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 176 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | Y1611 T1612 L1618 N1619 | Y1611-V1615 WeakPolarHBondContact O-CB 3.4Å; Y1611-V1615 VanDerWaalsContact O-CG2 3.23Å; Y1611-V1615 WeakPolarHBondContact O-CG2 3.33Å; Y1611-V1615 PolarHBondContact O-N 3.08Å; T1612-V1615 PolarHBondContact O-N 2.67Å; V1615-L1618 WeakPolarHBondContact O-CB 3.19Å; V1615-L1618 PolarHBondContact O-N 3.1Å; V1615-N1619 PolarHBondContact O-N 3.23Å |
| 1616 | D | 83.2 | Confident | 75.6 | Confident | 86 Ų | 86 | 104.3 Ų | 104.3 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 176.5 | -68.8 | -25.1 | 0 | 0 | 0 | 111.7 | T1612 T1613 L1618 N1619 E1620 | T1612-D1616 VanDerWaalsContact O-CG 3.3Å; T1612-D1616 PolarHBondContact O-N 2.97Å; T1613-D1616 PolarHBondContact O-N 3.39Å; D1616-L1618 VanDerWaalsContact C-N 3.34Å; D1616-L1618 PolarHBondContact O-N 3.47Å; D1616-N1619 WeakPolarHBondContact O-CB 3.35Å; D1616-N1619 PolarHBondContact O-N 3.49Å; D1616-E1620 PolarHBondContact O-N 2.83Å |
| 1617 | R | 74.7 | Confident | 75.1 | Confident | 170 Ų | 170 | 107.4 Ų | 107.4 | 64% | 0.642 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.5 | -39.3 | 174.5 | -76.4 | -176.6 | -175.5 | 171.1 | 2.3 | 112.8 | T1613 E1620 T1621 | T1613-R1617 WeakPolarHBondContact O-CG 3.25Å; T1613-R1617 PolarHBondContact O-N 3.14Å; R1617-E1620 PolarHBondContact O-N 3.14Å; R1617-T1621 PolarHBondContact O-N 3.39Å; R1617-T1621 PolarHBondContact O-OG1 3.5Å; R1617-T1621 VanDerWaalsContact O-OG1 3.12Å |
| 1618 | L | 71.7 | Confident | 74.1 | Confident | 112 Ų | 112 | 112.8 Ų | 112.8 | 59% | 0.586 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.2 | -45.3 | 175.9 | -87.9 | 161.4 | 0 | 0 | 0 | 111 | K1614 V1615 D1616 E1620 T1621 E1622 | K1614-L1618 WeakPolarHBondContact O-CB 3.35Å; K1614-L1618 PolarHBondContact O-N 2.91Å; V1615-L1618 WeakPolarHBondContact O-CB 3.19Å; V1615-L1618 PolarHBondContact O-N 3.1Å; D1616-L1618 VanDerWaalsContact C-N 3.34Å; D1616-L1618 PolarHBondContact O-N 3.47Å; L1618-E1620 VanDerWaalsContact C-N 3.34Å; L1618-E1620 PolarHBondContact O-N 3.39Å; L1618-T1621 WeakPolarHBondContact CA-OG1 2.87Å; L1618-T1621 PolarHBondContact O-N 3.09Å; L1618-T1621 PolarHBondContact O-OG1 3.09Å; L1618-E1622 WeakPolarHBondContact O-CB 3.43Å; L1618-E1622 PolarHBondContact O-N 3.28Å |
| 1619 | N | 75.7 | Confident | 72.9 | Confident | 95 Ų | 95 | 111 Ų | 111 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 175.2 | -77.2 | -31.7 | 0 | 0 | 0 | 112.3 | V1615 D1616 E1622 A1623 | V1615-N1619 PolarHBondContact O-N 3.23Å; D1616-N1619 WeakPolarHBondContact O-CB 3.35Å; D1616-N1619 PolarHBondContact O-N 3.49Å; N1619-E1622 PolarHBondContact O-N 3.49Å; N1619-A1623 WeakPolarHBondContact O-CB 3.32Å; N1619-A1623 PolarHBondContact O-N 3.06Å |
| 1620 | E | 75.5 | Confident | 71.6 | Confident | 126 Ų | 126 | 108.6 Ų | 108.6 | 59% | 0.589 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.1 | -45.9 | 175.1 | -73 | 179.4 | 167.4 | 0 | 0 | 112 | D1616 R1617 L1618 E1622 A1623 Q1624 | D1616-E1620 PolarHBondContact O-N 2.83Å; R1617-E1620 PolarHBondContact O-N 3.14Å; L1618-E1620 VanDerWaalsContact C-N 3.34Å; L1618-E1620 PolarHBondContact O-N 3.39Å; E1620-E1622 VanDerWaalsContact C-N 3.32Å; E1620-E1622 PolarHBondContact O-N 3.42Å; E1620-A1623 PolarHBondContact O-N 3.38Å; E1620-Q1624 WeakPolarHBondContact O-CG 3.25Å; E1620-Q1624 PolarHBondContact O-N 3.37Å |
| 1621 | T | 73.7 | Confident | 70.6 | Confident | 67 Ų | 67 | 109.7 Ų | 109.7 | 41% | 0.411 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66 | -32.6 | 177.5 | 49.2 | 0 | 0 | 0 | 0 | 113.2 | R1617 L1618 R1625 | R1617-T1621 PolarHBondContact O-N 3.39Å; R1617-T1621 PolarHBondContact O-OG1 3.5Å; R1617-T1621 VanDerWaalsContact O-OG1 3.12Å; L1618-T1621 WeakPolarHBondContact CA-OG1 2.87Å; L1618-T1621 PolarHBondContact O-N 3.09Å; L1618-T1621 PolarHBondContact O-OG1 3.09Å; T1621-R1625 WeakPolarHBondContact O-CG 3.49Å; T1621-R1625 PolarHBondContact O-N 3.35Å |
| 1622 | E | 71.9 | Confident | 69.3 | Low | 112 Ų | 112 | 110.5 Ų | 110.5 | 52% | 0.523 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -72.9 | -35.6 | 176 | -160.8 | 179.8 | 175.4 | 0 | 0 | 111.8 | L1618 N1619 E1620 R1625 K1626 | L1618-E1622 WeakPolarHBondContact O-CB 3.43Å; L1618-E1622 PolarHBondContact O-N 3.28Å; N1619-E1622 PolarHBondContact O-N 3.49Å; E1620-E1622 VanDerWaalsContact C-N 3.32Å; E1620-E1622 PolarHBondContact O-N 3.42Å; E1622-R1625 PolarHBondContact O-N 3.45Å; E1622-K1626 PolarHBondContact O-N 2.88Å; E1622-K1626 VanDerWaalsContact O-N 3.16Å |
| 1623 | A | 73.2 | Confident | 67 | Low | 55 Ų | 55 | 111.1 Ų | 111.1 | 46% | 0.455 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.6 | -44.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1619 E1620 R1625 K1626 E1627 | N1619-A1623 WeakPolarHBondContact O-CB 3.32Å; N1619-A1623 PolarHBondContact O-N 3.06Å; E1620-A1623 PolarHBondContact O-N 3.38Å; A1623-R1625 PolarHBondContact O-N 3.09Å; A1623-K1626 PolarHBondContact O-N 3.01Å; A1623-K1626 VanDerWaalsContact O-N 3.17Å; A1623-E1627 PolarHBondContact O-N 3.23Å; A1623-E1627 VanDerWaalsContact O-N 3.14Å |
| 1624 | Q | 71.2 | Confident | 64.7 | Low | 118 Ų | 118 | 116.9 Ų | 116.9 | 55% | 0.551 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.2 | -42 | 175.8 | -73.7 | 175.1 | -2 | 0 | 0 | 112.2 | E1620 K1626 E1627 E1628 | E1620-Q1624 WeakPolarHBondContact O-CG 3.25Å; E1620-Q1624 PolarHBondContact O-N 3.37Å; Q1624-K1626 VanDerWaalsContact C-N 3.29Å; Q1624-K1626 PolarHBondContact O-N 3.36Å; Q1624-E1627 PolarHBondContact O-N 3.03Å; Q1624-E1628 PolarHBondContact O-N 3.22Å |
| 1625 | R | 66.6 | Low | 62.7 | Low | 192 Ų | 192 | 117.4 Ų | 117.4 | 73% | 0.725 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62 | -33.7 | 174.9 | -80.2 | -176 | -177.6 | 170.1 | 2.9 | 113.3 | T1621 E1622 A1623 S1629 | T1621-R1625 WeakPolarHBondContact O-CG 3.49Å; T1621-R1625 PolarHBondContact O-N 3.35Å; E1622-R1625 PolarHBondContact O-N 3.45Å; A1623-R1625 PolarHBondContact O-N 3.09Å; R1625-S1629 PolarHBondContact O-N 2.94Å; R1625-S1629 VanDerWaalsContact O-N 3.15Å |
| 1626 | K | 68.8 | Low | 60.4 | Low | 133 Ų | 133 | 118.7 Ų | 118.7 | 58% | 0.578 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.5 | -44.2 | 176.2 | -84 | 178.5 | 177 | 166.7 | 0 | 111.9 | E1622 A1623 Q1624 E1628 S1629 D1630 | E1622-K1626 PolarHBondContact O-N 2.88Å; E1622-K1626 VanDerWaalsContact O-N 3.16Å; A1623-K1626 PolarHBondContact O-N 3.01Å; A1623-K1626 VanDerWaalsContact O-N 3.17Å; Q1624-K1626 VanDerWaalsContact C-N 3.29Å; Q1624-K1626 PolarHBondContact O-N 3.36Å; K1626-E1628 VanDerWaalsContact C-N 3.34Å; K1626-E1628 PolarHBondContact O-N 2.91Å; K1626-S1629 PolarHBondContact O-N 3.37Å; K1626-S1629 VanDerWaalsContact O-N 3.12Å; K1626-S1629 PolarHBondContact O-OG 3.29Å; K1626-D1630 PolarHBondContact O-N 3.07Å; K1626-D1630 VanDerWaalsContact O-N 3.09Å |
| 1627 | E | 68.1 | Low | 57.6 | Low | 147 Ų | 147 | 121.8 Ų | 121.8 | 69% | 0.687 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -62.2 | -39.6 | 176.2 | -74.1 | -172.4 | 159.6 | 0 | 0 | 112.3 | A1623 Q1624 S1629 D1630 A1631 | A1623-E1627 PolarHBondContact O-N 3.23Å; A1623-E1627 VanDerWaalsContact O-N 3.14Å; Q1624-E1627 PolarHBondContact O-N 3.03Å; E1627-S1629 VanDerWaalsContact C-N 3.3Å; E1627-S1629 PolarHBondContact O-N 3.1Å; E1627-D1630 PolarHBondContact O-N 2.9Å; E1627-A1631 PolarHBondContact O-N 3.48Å |
| 1628 | E | 57.5 | Low | 55.3 | Low | 130 Ų | 130 | 120.2 Ų | 120.2 | 61% | 0.607 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64.4 | -33.6 | 173.7 | -74.7 | -176 | 161.8 | 0 | 0 | 112.6 | Q1624 K1626 | Q1624-E1628 PolarHBondContact O-N 3.22Å; K1626-E1628 VanDerWaalsContact C-N 3.34Å; K1626-E1628 PolarHBondContact O-N 2.91Å |
| 1629 | S | 54.2 | Low | 53 | Low | 69 Ų | 69 | 125.6 Ų | 125.6 | 48% | 0.483 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -72.3 | -35.8 | 178.3 | 83 | 0 | 0 | 0 | 0 | 113.1 | R1625 K1626 E1627 | R1625-S1629 PolarHBondContact O-N 2.94Å; R1625-S1629 VanDerWaalsContact O-N 3.15Å; K1626-S1629 PolarHBondContact O-N 3.37Å; K1626-S1629 VanDerWaalsContact O-N 3.12Å; K1626-S1629 PolarHBondContact O-OG 3.29Å; E1627-S1629 VanDerWaalsContact C-N 3.3Å; E1627-S1629 PolarHBondContact O-N 3.1Å |
| 1630 | D | 53.2 | Low | 50.6 | Low | 121 Ų | 121 | 128.5 Ų | 128.5 | 65% | 0.647 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -72.5 | -35.7 | 178.9 | -77 | -21.4 | 0 | 0 | 0 | 111.4 | K1626 E1627 Q1632 S1633 | K1626-D1630 PolarHBondContact O-N 3.07Å; K1626-D1630 VanDerWaalsContact O-N 3.09Å; E1627-D1630 PolarHBondContact O-N 2.9Å; D1630-Q1632 VanDerWaalsContact C-N 3.29Å; D1630-Q1632 PolarHBondContact O-N 2.98Å; D1630-S1633 PolarHBondContact O-N 3.07Å; D1630-S1633 PolarHBondContact O-OG 3.48Å |
| 1631 | A | 53.8 | Low | 48.2 | Very low | 85 Ų | 85 | 129.3 Ų | 129.3 | 70% | 0.702 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -67.7 | -23 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1627 | E1627-A1631 PolarHBondContact O-N 3.48Å |
| 1632 | Q | 49.5 | Very low | 45.9 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -2.5 | -179 | -71.2 | -179.4 | 8 | 0 | 0 | 114.1 | D1630 Q1634 | D1630-Q1632 VanDerWaalsContact C-N 3.29Å; D1630-Q1632 PolarHBondContact O-N 2.98Å; Q1632-Q1634 PolarHBondContact O-N 3.09Å |
| 1633 | S | 33 | Very low | 43.7 | Very low | 92 Ų | 92 | 134.4 Ų | 134.4 | 64% | 0.643 | 71% | 0.709 | S | S | * | * | trans | -95.8 | 52.5 | -176.3 | 64.1 | 0 | 0 | 0 | 0 | 113.9 | D1630 | D1630-S1633 PolarHBondContact O-N 3.07Å; D1630-S1633 PolarHBondContact O-OG 3.48Å | ||
| 1634 | Q | 31 | Very low | 41.3 | Very low | 180 Ų | 180 | 140.1 Ų | 140.1 | 84% | 0.841 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -120.6 | 131.6 | 157.2 | -81.2 | -171.3 | 7.9 | 0 | 0 | 110.2 | Q1632 | Q1632-Q1634 PolarHBondContact O-N 3.09Š|
| 1635 | P | 35 | Very low | 39.1 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | -98 | 123.6 | -153.6 | 15.2 | 4.3 | 0 | 0 | 0 | 112 | ||||
| 1636 | A | 27.6 | Very low | 37.1 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | trans | -124.2 | 108.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1637 | D | 24.1 | Very low | 35 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -57 | 138.9 | -179.5 | -95.2 | -43.5 | 0 | 0 | 0 | 114.4 | ||||
| 1638 | M | 25.2 | Very low | 32.8 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | trans | 66.7 | 85.4 | 144.8 | -62.6 | -164.7 | 74.3 | 0 | 0 | 120.4 | M1640 | M1638-M1640 HydrophobicContact CE-CB 4.29Å; M1638-M1640 HydrophobicContact CE-CE 4.38Å; M1638-M1640 HydrophobicContact CE-CG 3.4Å | ||
| 1639 | F | 25 | Very low | 31.3 | Very low | 224 Ų | 224 | 146.7 Ų | 146.7 | 98% | 0.982 | 78% | 0.78 | S | S | * | * | trans | -96.5 | 87.7 | 140.1 | -83.8 | -86.2 | 0 | 0 | 0 | 109.4 | ||||
| 1640 | M | 25.1 | Very low | 29.8 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 77% | 0.768 | 79% | 0.789 | S | S | * | * | trans | -74.9 | 129.4 | 168.4 | -94.2 | -75.5 | -178.5 | 0 | 0 | 110.4 | M1638 | M1638-M1640 HydrophobicContact CE-CB 4.29Å; M1638-M1640 HydrophobicContact CE-CE 4.38Å; M1638-M1640 HydrophobicContact CE-CG 3.4Å | ||
| 1641 | Q | 24.2 | Very low | 28.5 | Very low | 143 Ų | 143 | 148.4 Ų | 148.4 | 67% | 0.668 | 80% | 0.798 | S | S | * | * | trans | -55.9 | 141.1 | 176.6 | -67.9 | 170.5 | -20.1 | 0 | 0 | 113.4 | Q1643 | Q1641-Q1643 PolarHBondContact O-N 3.01Š| ||
| 1642 | P | 26 | Very low | 27.1 | Very low | 130 Ų | 130 | 151 Ų | 151 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | trans | -87.7 | 84.9 | 161.7 | 32.7 | -26.2 | 0 | 0 | 0 | 109.4 | L1644 | P1642-L1644 PolarHBondContact O-N 2.67Š| ||
| 1643 | Q | 25.2 | Very low | 26.2 | Very low | 157 Ų | 157 | 150.7 Ų | 150.7 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -78.5 | 116.8 | 168 | -90.1 | -177.1 | -10 | 0 | 0 | 110.5 | Q1641 M1645 | Q1641-Q1643 PolarHBondContact O-N 3.01Å; Q1643-M1645 PolarHBondContact O-N 3.21Å; Q1643-M1645 VanDerWaalsContact O-N 3.15Å | ||
| 1644 | L | 23.6 | Very low | 26.8 | Very low | 174 Ų | 174 | 151 Ų | 151 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -59.2 | 102.9 | 168.6 | -84.2 | 138.7 | 0 | 0 | 0 | 110.9 | P1642 L1646 | P1642-L1644 PolarHBondContact O-N 2.67Å; L1644-L1646 PolarHBondContact O-N 3.38Å | ||
| 1645 | M | 23.8 | Very low | 27.2 | Very low | 169 Ų | 169 | 148.3 Ų | 148.3 | 83% | 0.833 | 80% | 0.798 | S | S | * | * | trans | -76.7 | 114.7 | 171.9 | -89.2 | -85.3 | -100.4 | 0 | 0 | 111.1 | Q1643 | Q1643-M1645 PolarHBondContact O-N 3.21Å; Q1643-M1645 VanDerWaalsContact O-N 3.15Å | ||
| 1646 | L | 24.7 | Very low | 26.9 | Very low | 170 Ų | 170 | 145.3 Ų | 145.3 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | -63.3 | 117.8 | 162.3 | -80 | 133.7 | 0 | 0 | 0 | 110.1 | L1644 | L1644-L1646 PolarHBondContact O-N 3.38Š| ||
| 1647 | T | 25.4 | Very low | 26.8 | Very low | 133 Ų | 133 | 149.1 Ų | 149.1 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | -108.1 | 91.5 | 172.1 | 57.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1648 | Y | 21.7 | Very low | 27.9 | Very low | 203 Ų | 203 | 146.9 Ų | 146.9 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | -128.1 | 127.7 | 144.7 | -150.9 | -96.4 | 0 | 0 | 0 | 105.5 | ||||
| 1649 | H | 25 | Very low | 28 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | trans | 159.4 | 113.1 | 148.7 | -84.5 | 97 | 0 | 0 | 0 | 108.6 | ||||
| 1650 | G | 24.4 | Very low | 28 | Very low | 64 Ų | 64 | 140.3 Ų | 140.3 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | trans | -86.6 | 152.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1651 | I | 24.3 | Very low | 28.2 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | 78.1 | 118.5 | 151.5 | -49.3 | 168.2 | 0 | 0 | 0 | 113.4 | ||||
| 1652 | N | 26.2 | Very low | 28.2 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | -166.8 | 146.5 | 52.3 | -142.6 | 8.2 | 0 | 0 | 0 | 115 | |||||
| 1653 | M | 29.1 | Very low | 28.4 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | 93.7 | 146.7 | 157.2 | -70.7 | -59.3 | -86.5 | 0 | 0 | 122.4 | ||||
| 1654 | P | 45.2 | Very low | 28.8 | Very low | 98 Ų | 98 | 137 Ų | 137 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | -137.5 | -147.7 | -126.6 | 39.1 | -12.7 | 0 | 0 | 0 | 115.1 | |||||
| 1655 | P | 41.4 | Very low | 28.9 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | -116.7 | 164.8 | -103.3 | 38.1 | -19.5 | 0 | 0 | 0 | 116.8 | |||||
| 1656 | G | 26.8 | Very low | 29.2 | Very low | 69 Ų | 69 | 133.4 Ų | 133.4 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | 173.8 | 92 | 161.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1657 | M | 26.9 | Very low | 30 | Very low | 184 Ų | 184 | 130.4 Ų | 130.4 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | 66.7 | 162.9 | 129.7 | -70.5 | -82.4 | -124.9 | 0 | 0 | 120.9 | |||||
| 1658 | P | 47.1 | Very low | 30.8 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | -140.3 | -169.6 | -83.1 | 36.1 | -11.9 | 0 | 0 | 0 | 115.4 | |||||
| 1659 | V | 26.9 | Very low | 31.1 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | 110.5 | 108.3 | 151.8 | -169.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1660 | G | 25.8 | Very low | 31.2 | Very low | 80 Ų | 80 | 122.7 Ų | 122.7 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | 102.5 | 123.1 | 117.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1661 | G | 27.5 | Very low | 31.3 | Very low | 74 Ų | 74 | 130.5 Ų | 130.5 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | 128.7 | 82.6 | 139.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 1662 | T | 24.5 | Very low | 31.7 | Very low | 138 Ų | 138 | 128.7 Ų | 128.7 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | trans | 22.5 | 125.2 | 139.7 | 57.6 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1663 | M | 30 | Very low | 31.8 | Very low | 174 Ų | 174 | 127.5 Ų | 127.5 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | 36.8 | 141 | 127.3 | -80.5 | -71.8 | -129.3 | 0 | 0 | 121 | |||||
| 1664 | P | 35.3 | Very low | 31.9 | Very low | 131 Ų | 131 | 126.4 Ų | 126.4 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | -150.7 | 167.7 | 73.9 | 35.2 | -12.8 | 0 | 0 | 0 | 116.6 | |||||
| 1665 | G | 24.3 | Very low | 31.3 | Very low | 57 Ų | 57 | 127.6 Ų | 127.6 | 59% | 0.588 | 80% | 0.797 | S | S | * | * | trans | -104.3 | -161.2 | -167.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1666 | F | 29.8 | Very low | 30.5 | Very low | 210 Ų | 210 | 125.1 Ų | 125.1 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | 88.4 | 150.3 | 173.7 | -77.9 | -96.3 | 0 | 0 | 0 | 117.8 | ||||
| 1667 | P | 43.1 | Very low | 30.7 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | cis | -142.4 | -176.7 | -43.3 | 38.2 | -18.5 | 0 | 0 | 0 | 114.2 | ||||
| 1668 | P | 42.3 | Very low | 31.1 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | trans | -105 | 165.7 | -168.7 | 39.5 | -29.8 | 0 | 0 | 0 | 113.9 | ||||
| 1669 | N | 26.7 | Very low | 30 | Very low | 161 Ų | 161 | 123 Ų | 123 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | 174.5 | 152.1 | 122.6 | -105.4 | -5.2 | 0 | 0 | 0 | 116.3 | |||||
| 1670 | A | 27.9 | Very low | 30 | Very low | 90 Ų | 90 | 127 Ų | 127 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | 87.6 | 97.2 | 145.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1671 | Y | 25.9 | Very low | 30.1 | Very low | 228 Ų | 228 | 126.5 Ų | 126.5 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | trans | -60.4 | 140.4 | 155.6 | -78.7 | -100.9 | 0 | 0 | 0 | 112.4 | ||||
| 1672 | P | 33.9 | Very low | 30 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | trans | -87.1 | 114.6 | 160.8 | 13.7 | 4 | 0 | 0 | 0 | 109.8 | ||||
| 1673 | S | 26.4 | Very low | 30.3 | Very low | 114 Ų | 114 | 129.9 Ų | 129.9 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -64.9 | 135.9 | 169.2 | 51 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1674 | V | 32.9 | Very low | 30.2 | Very low | 136 Ų | 136 | 127.3 Ų | 127.3 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -125.1 | 135.1 | 158.4 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1675 | P | 32.1 | Very low | 29.9 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | -83.9 | 157.5 | -160.9 | -2.6 | 23.4 | 0 | 0 | 0 | 112.7 | ||||
| 1676 | G | 24.8 | Very low | 30.2 | Very low | 74 Ų | 74 | 137.6 Ų | 137.6 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | -79.9 | 173.2 | -175 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1677 | A | 29.7 | Very low | 30.2 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | 66.4 | 144.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1678 | P | 36.8 | Very low | 29.5 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | cis | -134.7 | 155.3 | 26.8 | 37.6 | -18.4 | 0 | 0 | 0 | 117.1 | ||||
| 1679 | S | 24.4 | Very low | 28.7 | Very low | 93 Ų | 93 | 136.9 Ų | 136.9 | 65% | 0.65 | 83% | 0.826 | S | S | * | * | trans | -46.5 | 139 | 151.8 | 129.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1680 | Y | 26.5 | Very low | 28.8 | Very low | 227 Ų | 227 | 135.4 Ų | 135.4 | 89% | 0.89 | 82% | 0.824 | S | S | * | * | 178.9 | 128.7 | 129.1 | -95.2 | -69.9 | 0 | 0 | 0 | 110.4 | |||||
| 1681 | G | 27.8 | Very low | 28.9 | Very low | 68 Ų | 68 | 138.4 Ų | 138.4 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | trans | 93 | 79.4 | 146.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | P1683 | G1681-P1683 WeakPolarHBondContact O-CD 3.29Š| ||
| 1682 | L | 25 | Very low | 29.1 | Very low | 171 Ų | 171 | 132 Ų | 132 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 119.9 | 142.3 | -89 | 151.5 | 0 | 0 | 0 | 107.8 | ||
| 1683 | P | 30 | Very low | 28.8 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 123.5 | 157.2 | 29.6 | -22.4 | 0 | 0 | 0 | 107.3 | G1681 | G1681-P1683 WeakPolarHBondContact O-CD 3.29Š|
| 1684 | P | 28 | Very low | 29 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 138.4 | 175.6 | 31.3 | -29.7 | 0 | 0 | 0 | 110.5 | ||
| 1685 | M | 29.6 | Very low | 28.6 | Very low | 267 Ų | 267 | 134 Ų | 134 | 100% | 1.315 | 83% | 0.829 | S | S | * | * | trans | 72.4 | 0 | 175.6 | -67.2 | -112.7 | -127.9 | 0 | 0 | 116.9 |
Retrieved 1,685 of 1,685 residues in 3502.1 ms
(Link to these results)