| 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 | 26 | Very low | 37.1 | Very low | 223 Ų | 223 | 118.3 Ų | 118.3 | 100% | 1.099 | 63% | 0.628 | S | S | * | * | 0 | 21.3 | 0 | -92.8 | -78.3 | -159.7 | 0 | 0 | 112.6 | |||||
| 2 | S | 27.4 | Very low | 38.6 | Very low | 116 Ų | 116 | 120.9 Ų | 120.9 | 81% | 0.811 | 63% | 0.63 | S | S | * | * | trans | -134.4 | 29.9 | -164.9 | 58.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 3 | T | 30.1 | Very low | 39.8 | Very low | 126 Ų | 126 | 116.2 Ų | 116.2 | 77% | 0.773 | 61% | 0.606 | S | S | * | * | trans | -143.5 | 58.6 | 167.7 | 55.4 | 0 | 0 | 0 | 0 | 109.3 | T5 | T3-T5 VanDerWaalsContact C-N 3.35Å; T3-T5 PolarHBondContact O-N 2.93Å | ||
| 4 | L | 32.7 | Very low | 41.2 | Very low | 149 Ų | 149 | 110.8 Ų | 110.8 | 78% | 0.78 | 58% | 0.578 | S | S | * | * | trans | -89.5 | 77.5 | 168.3 | -76.6 | 156.2 | 0 | 0 | 0 | 106.8 | ||||
| 5 | T | 33.7 | Very low | 42.7 | Very low | 89 Ų | 89 | 116.1 Ų | 116.1 | 55% | 0.546 | 59% | 0.588 | S | S | . | * | trans | -64.6 | 143.2 | 170.1 | 44.6 | 0 | 0 | 0 | 0 | 108.9 | T3 E7 N8 | T3-T5 VanDerWaalsContact C-N 3.35Å; T3-T5 PolarHBondContact O-N 2.93Å; T5-E7 PolarHBondContact O-N 3.15Å; T5-N8 PolarHBondContact O-N 3.17Å | ||
| 6 | E | 36.1 | Very low | 44.1 | Very low | 184 Ų | 184 | 114.6 Ų | 114.6 | 86% | 0.86 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -7.3 | -177 | -68.6 | 174.3 | 138.3 | 0 | 0 | 114.6 | ||
| 7 | E | 38.1 | Very low | 44.9 | Very low | 168 Ų | 168 | 109.4 Ų | 109.4 | 79% | 0.785 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -22 | -176 | -69.3 | -178.5 | 150.5 | 0 | 0 | 114.5 | T5 H9 | T5-E7 PolarHBondContact O-N 3.15Å; E7-H9 PolarHBondContact O-N 3.05Å |
| 8 | N | 43.8 | Very low | 45.5 | Very low | 58 Ų | 58 | 110.6 Ų | 110.6 | 31% | 0.31 | 57% | 0.574 | S | S | . | * | trans | -85.6 | 45 | -178.8 | -87.9 | -35.6 | 0 | 0 | 0 | 113.4 | T5 C10 L11 | T5-N8 PolarHBondContact O-N 3.17Å; N8-C10 PolarHBondContact O-N 3Å; N8-C10 VanDerWaalsContact O-N 3.11Å; N8-L11 HydrophobicContact CB-CB 4.37Å; N8-L11 HydrophobicContact CB-CD1 3.91Å; N8-L11 HydrophobicContact CB-CG 4.37Å; N8-L11 PolarHBondContact O-N 3.18Å | ||
| 9 | H | 45.3 | Very low | 46.3 | Very low | 124 Ų | 124 | 110.8 Ų | 110.8 | 57% | 0.574 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -28.1 | 170.5 | -113.3 | -83.9 | 0 | 0 | 0 | 112.2 | E7 K12 | E7-H9 PolarHBondContact O-N 3.05Å; H9-K12 PolarHBondContact CE1-NZ 3.13Å; H9-K12 VanDerWaalsContact CE1-NZ 3.29Å; H9-K12 PolarHBondContact NE2-NZ 2.94Å |
| 10 | C | 44.9 | Very low | 47.2 | Very low | 25 Ų | 25 | 109.1 Ų | 109.1 | 17% | 0.169 | 57% | 0.568 | C | S | . | * | G | 310 helix | trans | -55.3 | -53.9 | 171.7 | -72.9 | 0 | 0 | 0 | 0 | 111.6 | N8 K12 N13 F25 | N8-C10 PolarHBondContact O-N 3Å; N8-C10 VanDerWaalsContact O-N 3.11Å; C10-K12 PolarHBondContact O-N 2.93Å; C10-N13 PolarHBondContact O-N 2.85Å; C10-F25 VanDerWaalsContact C-CE2 3.41Å; C10-F25 HydrophobicContact CB-CE2 4.21Å; C10-F25 HydrophobicContact CB-CZ 3.65Å; C10-F25 WeakPolarHBondContact O-CE2 3.35Å; C10-F25 WeakPolarHBondContact O-CZ 2.86Å |
| 11 | L | 50 | Low | 48 | Very low | 39 Ų | 39 | 108.2 Ų | 108.2 | 20% | 0.204 | 56% | 0.561 | C | S | . | * | G | 310 helix | trans | -61.2 | -20.5 | -173.1 | -79.1 | 169 | 0 | 0 | 0 | 114.8 | N8 N13 L14 L39 | N8-L11 HydrophobicContact CB-CB 4.37Å; N8-L11 HydrophobicContact CB-CD1 3.91Å; N8-L11 HydrophobicContact CB-CG 4.37Å; N8-L11 PolarHBondContact O-N 3.18Å; L11-N13 PolarHBondContact O-N 2.87Å; L11-N13 VanDerWaalsContact O-N 3.13Å; L11-L14 HydrophobicContact CD2-CB 4.42Å; L11-L14 HydrophobicContact CD2-CD2 3.87Å; L11-L14 WeakPolarHBondContact O-CB 3.07Å; L11-L14 PolarHBondContact O-N 3.39Å; L11-L39 HydrophobicContact CD2-CD1 3.33Å; L11-L39 HydrophobicContact CD2-CG 4.06Å; L11-L39 HydrophobicContact CG-CD1 3.89Å |
| 12 | K | 55 | Low | 49.7 | Very low | 150 Ų | 150 | 99.6 Ų | 99.6 | 65% | 0.652 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -57.9 | -26.6 | 177 | -72.8 | -179.9 | 177.9 | 169.6 | 0 | 112.8 | H9 C10 | H9-K12 PolarHBondContact CE1-NZ 3.13Å; H9-K12 VanDerWaalsContact CE1-NZ 3.29Å; H9-K12 PolarHBondContact NE2-NZ 2.94Å; C10-K12 PolarHBondContact O-N 2.93Å |
| 13 | N | 54.7 | Low | 51.7 | Low | 59 Ų | 59 | 94.5 Ų | 94.5 | 32% | 0.316 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -94 | -1.5 | -179.5 | -67.9 | -4.6 | 0 | 0 | 0 | 113.6 | C10 L11 R15 S26 | C10-N13 PolarHBondContact O-N 2.85Å; L11-N13 PolarHBondContact O-N 2.87Å; L11-N13 VanDerWaalsContact O-N 3.13Å; N13-R15 PolarHBondContact O-N 3.47Å; N13-S26 WeakPolarHBondContact CB-O 3.27Å; N13-S26 PolarHBondContact ND2-O 3.1Å |
| 14 | L | 59.3 | Low | 53.3 | Low | 41 Ų | 41 | 91.7 Ų | 91.7 | 22% | 0.215 | 46% | 0.464 | C | S | . | . | trans | -73.1 | 118.2 | 179 | -168.9 | 73.5 | 0 | 0 | 0 | 109.9 | L11 F23 F25 L39 I43 | L11-L14 HydrophobicContact CD2-CB 4.42Å; L11-L14 HydrophobicContact CD2-CD2 3.87Å; L11-L14 WeakPolarHBondContact O-CB 3.07Å; L11-L14 PolarHBondContact O-N 3.39Å; L14-F23 HydrophobicContact CD1-CB 4.41Å; L14-F23 HydrophobicContact CD1-CD1 3.86Å; L14-F23 HydrophobicContact CD2-CD1 3.96Å; L14-F23 HydrophobicContact CD2-CE1 4.11Å; L14-F23 HydrophobicContact CG-CD1 4Å; L14-F25 HydrophobicContact CB-CD2 4.06Å; L14-F25 HydrophobicContact CD1-CB 4.14Å; L14-F25 HydrophobicContact CD1-CD2 3.79Å; L14-F25 HydrophobicContact CD1-CG 4.44Å; L14-L39 HydrophobicContact CD1-CD1 4.48Å; L14-L39 HydrophobicContact CD1-CD2 4.1Å; L14-L39 HydrophobicContact CD1-CG 4.45Å; L14-I43 HydrophobicContact CD1-CD1 4.18Å; L14-I43 HydrophobicContact CD2-CD1 4.12Å | ||
| 15 | R | 62.6 | Low | 54.9 | Low | 191 Ų | 191 | 84.7 Ų | 84.7 | 72% | 0.721 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.3 | 170 | -62.3 | -179.4 | -178.2 | 177 | 1.5 | 108.5 | N13 F23 H24 | N13-R15 PolarHBondContact O-N 3.47Å; R15-F23 CarbonylContact O-C 3.49Å; R15-F23 WeakPolarHBondContact O-CA 3.35Å; R15-H24 HydrophobicContact CB-CB 4.38Å; R15-H24 PolarHBondContact N-O 3.11Å; R15-H24 PolarHBondContact O-N 2.81Å |
| 16 | N | 65.6 | Low | 56.3 | Low | 92 Ų | 92 | 81.7 Ų | 81.7 | 49% | 0.492 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 151.7 | 177.9 | 61.1 | -24 | 0 | 0 | 0 | 111.7 | N20 S22 F23 | N16-N20 PolarHBondContact ND2-OD1 2.97Å; N16-S22 CarbonylContact C-O 3.4Å; N16-S22 VanDerWaalsContact CA-O 3.27Å; N16-S22 WeakPolarHBondContact CA-O 3.27Å; N16-F23 HydrophobicContact CB-CD1 3.58Å; N16-F23 HydrophobicContact CB-CE1 3.39Å; N16-F23 HydrophobicContact CB-CE2 4.44Å; N16-F23 HydrophobicContact CB-CG 4.21Å; N16-F23 HydrophobicContact CB-CZ 3.89Å |
| 17 | S | 58.1 | Low | 57.5 | Low | 25 Ų | 25 | 80.5 Ų | 80.5 | 18% | 0.175 | 41% | 0.405 | C | S | . | . | trans | -71.5 | 155.7 | 165.5 | 45.4 | 0 | 0 | 0 | 0 | 111 | N19 N20 Q21 S22 | S17-N19 PolarHBondContact O-N 3.42Å; S17-N20 PolarHBondContact O-N 3.23Å; S17-Q21 PolarHBondContact OG-N 3.05Å; S17-S22 WeakPolarHBondContact CB-OG 3.5Å; S17-S22 PolarHBondContact N-O 3.27Å; S17-S22 PolarHBondContact OG-N 3.12Å; S17-S22 PolarHBondContact OG-O 3.38Å; S17-S22 PolarHBondContact OG-OG 3.35Å | ||
| 18 | P | 55.5 | Low | 58.6 | Low | 132 Ų | 132 | 72.9 Ų | 72.9 | 86% | 0.857 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -29.2 | 176.8 | -23.9 | 31.6 | 0 | 0 | 0 | 113.6 | ||
| 19 | N | 61.5 | Low | 59.4 | Low | 114 Ų | 114 | 73.9 Ų | 73.9 | 61% | 0.61 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 1.6 | -177.7 | -61.5 | -3.9 | 0 | 0 | 0 | 113.2 | S17 Q21 | S17-N19 PolarHBondContact O-N 3.42Å; N19-Q21 HydrophobicContact CB-CB 4.49Å; N19-Q21 HydrophobicContact CB-CG 4.05Å; N19-Q21 PolarHBondContact O-N 3Å; N19-Q21 VanDerWaalsContact O-N 3.13Å |
| 20 | N | 63.6 | Low | 60.3 | Low | 77 Ų | 77 | 68 Ų | 68 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 50.8 | 31.9 | -171.6 | -74.7 | -16.3 | 0 | 0 | 0 | 113.5 | N16 S17 F23 | N16-N20 PolarHBondContact ND2-OD1 2.97Å; S17-N20 PolarHBondContact O-N 3.23Å; N20-F23 HydrophobicContact CB-CE2 3.94Å; N20-F23 HydrophobicContact CB-CZ 3.94Å; N20-F23 WeakPolarHBondContact O-CE2 3.48Å |
| 21 | Q | 64.1 | Low | 61.1 | Low | 90 Ų | 90 | 69.2 Ų | 69.2 | 42% | 0.421 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -96 | -22.7 | 177.3 | -74.1 | 179.9 | -21.9 | 0 | 0 | 112.1 | S17 N19 T49 S50 | S17-Q21 PolarHBondContact OG-N 3.05Å; N19-Q21 HydrophobicContact CB-CB 4.49Å; N19-Q21 HydrophobicContact CB-CG 4.05Å; N19-Q21 PolarHBondContact O-N 3Å; N19-Q21 VanDerWaalsContact O-N 3.13Å; Q21-T49 PolarHBondContact O-N 2.85Å; Q21-T49 PolarHBondContact O-OG1 3.35Å; Q21-S50 PolarHBondContact O-N 3.04Å |
| 22 | S | 61.2 | Low | 61.5 | Low | 42 Ų | 42 | 71.3 Ų | 71.3 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 132.6 | 178.3 | 65 | 0 | 0 | 0 | 0 | 111 | N16 S17 S50 | N16-S22 CarbonylContact C-O 3.4Å; N16-S22 VanDerWaalsContact CA-O 3.27Å; N16-S22 WeakPolarHBondContact CA-O 3.27Å; S17-S22 WeakPolarHBondContact CB-OG 3.5Å; S17-S22 PolarHBondContact N-O 3.27Å; S17-S22 PolarHBondContact OG-N 3.12Å; S17-S22 PolarHBondContact OG-O 3.38Å; S17-S22 PolarHBondContact OG-OG 3.35Å; S22-S50 CarbonylContact C-O 3.18Å; S22-S50 VanDerWaalsContact CA-O 3.24Å; S22-S50 WeakPolarHBondContact CA-O 3.31Å |
| 23 | F | 70.5 | Confident | 61.6 | Low | 10 Ų | 10 | 65.7 Ų | 65.7 | 4% | 0.044 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 134.3 | 174.9 | -73.8 | -99.4 | 0 | 0 | 0 | 109.5 | L14 R15 N16 N20 I43 L48 S50 L51 N52 | L14-F23 HydrophobicContact CD1-CB 4.41Å; L14-F23 HydrophobicContact CD1-CD1 3.86Å; L14-F23 HydrophobicContact CD2-CD1 3.96Å; L14-F23 HydrophobicContact CD2-CE1 4.11Å; L14-F23 HydrophobicContact CG-CD1 4Å; R15-F23 CarbonylContact O-C 3.49Å; R15-F23 WeakPolarHBondContact O-CA 3.35Å; N16-F23 HydrophobicContact CB-CD1 3.58Å; N16-F23 HydrophobicContact CB-CE1 3.39Å; N16-F23 HydrophobicContact CB-CE2 4.44Å; N16-F23 HydrophobicContact CB-CG 4.21Å; N16-F23 HydrophobicContact CB-CZ 3.89Å; N20-F23 HydrophobicContact CB-CE2 3.94Å; N20-F23 HydrophobicContact CB-CZ 3.94Å; N20-F23 WeakPolarHBondContact O-CE2 3.48Å; F23-I43 HydrophobicContact CD1-CD1 3.6Å; F23-I43 HydrophobicContact CD1-CG1 3.95Å; F23-I43 HydrophobicContact CD1-CG2 4.24Å; F23-I43 HydrophobicContact CD2-CG2 3.66Å; F23-I43 HydrophobicContact CE1-CB 4.33Å; F23-I43 HydrophobicContact CE1-CD1 3.79Å; F23-I43 HydrophobicContact CE1-CG1 3.58Å; F23-I43 HydrophobicContact CE1-CG2 3.97Å; F23-I43 HydrophobicContact CE2-CB 4.42Å; F23-I43 HydrophobicContact CE2-CG2 3.31Å; F23-I43 HydrophobicContact CG-CD1 4.08Å; F23-I43 HydrophobicContact CG-CG2 4.08Å; F23-I43 HydrophobicContact CZ-CB 4.14Å; F23-I43 HydrophobicContact CZ-CD1 4.42Å; F23-I43 HydrophobicContact CZ-CG1 3.88Å; F23-I43 HydrophobicContact CZ-CG2 3.48Å; F23-I43 VanDerWaalsContact CZ-CG2 3.48Å; F23-L48 HydrophobicContact CB-CD1 4.26Å; F23-L48 HydrophobicContact CD2-CD1 3.26Å; F23-L48 HydrophobicContact CE2-CD1 3.96Å; F23-L48 HydrophobicContact CG-CD1 4.17Å; F23-S50 PolarHBondContact N-O 3.05Å; F23-L51 HydrophobicContact CB-CD1 4.18Å; F23-L51 WeakPolarHBondContact O-CA 3.35Å; F23-N52 PolarHBondContact O-N 2.96Å |
| 24 | H | 63.3 | Low | 61.9 | Low | 67 Ų | 67 | 67.4 Ų | 67.4 | 31% | 0.31 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 125.8 | 176.4 | -179.8 | -73.8 | 0 | 0 | 0 | 108.8 | R15 S26 N52 | R15-H24 HydrophobicContact CB-CB 4.38Å; R15-H24 PolarHBondContact N-O 3.11Å; R15-H24 PolarHBondContact O-N 2.81Å; H24-S26 PolarHBondContact CE1-OG 3.03Å; H24-S26 VanDerWaalsContact CE1-OG 3.3Å; H24-N52 HydrophobicContact CB-CB 4.3Å; H24-N52 VanDerWaalsContact CD2-CB 3.49Å; H24-N52 WeakPolarHBondContact CD2-CB 3.4Å; H24-N52 PolarHBondContact CD2-ND2 3.39Å |
| 25 | F | 66.2 | Low | 62 | Low | 1 Ų | 1 | 68.6 Ų | 68.6 | 0% | 0.004 | 36% | 0.364 | C | S | . | . | trans | -137.9 | 116.5 | 179.1 | -168.6 | -85.7 | 0 | 0 | 0 | 108.3 | C10 L14 L30 L39 N52 L53 N56 | C10-F25 VanDerWaalsContact C-CE2 3.41Å; C10-F25 HydrophobicContact CB-CE2 4.21Å; C10-F25 HydrophobicContact CB-CZ 3.65Å; C10-F25 WeakPolarHBondContact O-CE2 3.35Å; C10-F25 WeakPolarHBondContact O-CZ 2.86Å; L14-F25 HydrophobicContact CB-CD2 4.06Å; L14-F25 HydrophobicContact CD1-CB 4.14Å; L14-F25 HydrophobicContact CD1-CD2 3.79Å; L14-F25 HydrophobicContact CD1-CG 4.44Å; F25-L30 HydrophobicContact CD1-CD1 3.39Å; F25-L30 HydrophobicContact CD1-CG 4.06Å; F25-L30 HydrophobicContact CE1-CD1 3.4Å; F25-L30 HydrophobicContact CE1-CD2 3.98Å; F25-L30 HydrophobicContact CE1-CG 3.51Å; F25-L30 HydrophobicContact CG-CD1 4.35Å; F25-L30 HydrophobicContact CZ-CD1 4.33Å; F25-L30 HydrophobicContact CZ-CD2 4.21Å; F25-L30 HydrophobicContact CZ-CG 4.22Å; F25-L39 HydrophobicContact CD2-CD1 3.74Å; F25-L39 HydrophobicContact CD2-CD2 3.98Å; F25-L39 HydrophobicContact CE2-CD1 3.4Å; F25-L39 VanDerWaalsContact CE2-CD1 3.4Å; F25-L39 HydrophobicContact CE2-CD2 4.35Å; F25-L39 HydrophobicContact CG-CD2 4.21Å; F25-L39 HydrophobicContact CZ-CD1 4.16Å; F25-N52 PolarHBondContact N-O 3.48Å; F25-N52 VanDerWaalsContact O-O 3.13Å; F25-L53 HydrophobicContact CB-CD2 4.01Å; F25-L53 WeakPolarHBondContact O-CA 3.5Å; F25-N56 VanDerWaalsContact CD1-OD1 3.27Å; F25-N56 WeakPolarHBondContact CD1-OD1 3.36Å; F25-N56 WeakPolarHBondContact CE1-OD1 3.16Å; F25-N56 PolarHBondContact O-ND2 3.07Å | ||
| 26 | S | 62.3 | Low | 62 | Low | 27 Ų | 27 | 59.7 Ų | 59.7 | 19% | 0.189 | 33% | 0.331 | C | S | . | . | trans | -135.4 | 157.2 | -179.6 | 63.3 | 0 | 0 | 0 | 0 | 110.6 | N13 H24 G28 | N13-S26 WeakPolarHBondContact CB-O 3.27Å; N13-S26 PolarHBondContact ND2-O 3.1Å; H24-S26 PolarHBondContact CE1-OG 3.03Å; H24-S26 VanDerWaalsContact CE1-OG 3.3Å; S26-G28 PolarHBondContact O-N 3.2Å | ||
| 27 | E | 62.2 | Low | 61.8 | Low | 159 Ų | 159 | 57.9 Ų | 57.9 | 74% | 0.743 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 61.5 | 10.9 | 175.6 | -52.6 | 178.4 | 175.6 | 0 | 0 | 114.6 | S55 N56 | E27-S55 PolarHBondContact N-O 3.17Å; E27-N56 PolarHBondContact N-OD1 2.79Å |
| 28 | G | 60.2 | Low | 62 | Low | 7 Ų | 7 | 61.8 Ų | 61.8 | 7% | 0.072 | 34% | 0.336 | C | S | . | . | trans | -86.8 | 150.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S26 L30 N56 | S26-G28 PolarHBondContact O-N 3.2Å; G28-L30 VanDerWaalsContact C-N 3.28Å; G28-L30 PolarHBondContact O-N 3.36Å; G28-N56 PolarHBondContact N-OD1 3.2Å; G28-N56 CarbonylContact O-C 3.26Å; G28-N56 WeakPolarHBondContact O-CA 3.21Å; G28-N56 WeakPolarHBondContact O-CB 3.17Å; G28-N56 PolarHBondContact O-OD1 3.38Å | ||
| 29 | N | 61.4 | Low | 62.3 | Low | 80 Ų | 80 | 55.8 Ų | 55.8 | 43% | 0.428 | 30% | 0.297 | S | S | . | . | trans | -83.5 | 71.9 | 174.9 | -169.8 | 33.5 | 0 | 0 | 0 | 110.2 | S31 | N29-S31 PolarHBondContact O-N 3.06Å; N29-S31 WeakPolarHBondContact OD1-CB 3.42Å | ||
| 30 | L | 63.8 | Low | 62.3 | Low | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | trans | -82.3 | 40.1 | 173 | -61.9 | 171.7 | 0 | 0 | 0 | 111.2 | F25 G28 N32 D35 L36 L53 N56 L58 | F25-L30 HydrophobicContact CD1-CD1 3.39Å; F25-L30 HydrophobicContact CD1-CG 4.06Å; F25-L30 HydrophobicContact CE1-CD1 3.4Å; F25-L30 HydrophobicContact CE1-CD2 3.98Å; F25-L30 HydrophobicContact CE1-CG 3.51Å; F25-L30 HydrophobicContact CG-CD1 4.35Å; F25-L30 HydrophobicContact CZ-CD1 4.33Å; F25-L30 HydrophobicContact CZ-CD2 4.21Å; F25-L30 HydrophobicContact CZ-CG 4.22Å; G28-L30 VanDerWaalsContact C-N 3.28Å; G28-L30 PolarHBondContact O-N 3.36Å; L30-N32 PolarHBondContact O-N 3.34Å; L30-D35 HydrophobicContact CD2-CB 3.74Å; L30-L36 HydrophobicContact CB-CG 4.42Å; L30-L36 HydrophobicContact CD1-CD2 3.93Å; L30-L36 HydrophobicContact CD1-CG 4.04Å; L30-L36 HydrophobicContact CD2-CG 4.47Å; L30-L53 HydrophobicContact CD1-CD2 4.14Å; L30-N56 CarbonylContact C-O 3.3Å; L30-N56 HydrophobicContact CB-CB 3.95Å; L30-N56 HydrophobicContact CD1-CB 3.82Å; L30-N56 HydrophobicContact CG-CB 4.07Å; L30-N56 PolarHBondContact N-O 3.2Å; L30-N56 VanDerWaalsContact N-O 3.09Å; L30-L58 HydrophobicContact CB-CD2 3.48Å; L30-L58 VanDerWaalsContact CB-CD2 3.48Å; L30-L58 HydrophobicContact CD1-CD2 4.23Å; L30-L58 VanDerWaalsContact O-CD2 3.31Å; L30-L58 WeakPolarHBondContact O-CD2 3.36Å | ||
| 31 | S | 61.1 | Low | 62.3 | Low | 49 Ų | 49 | 52.5 Ų | 52.5 | 34% | 0.343 | 28% | 0.279 | S | S | . | . | trans | -60.7 | -21.2 | -173.1 | 60.9 | 0 | 0 | 0 | 0 | 113.7 | N29 | N29-S31 PolarHBondContact O-N 3.06Å; N29-S31 WeakPolarHBondContact OD1-CB 3.42Å | ||
| 32 | N | 59.1 | Low | 62.2 | Low | 84 Ų | 84 | 53.7 Ų | 53.7 | 45% | 0.449 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -118.5 | 144.8 | 177.9 | -157.6 | 3.4 | 0 | 0 | 0 | 111.1 | L30 N34 D35 | L30-N32 PolarHBondContact O-N 3.34Å; N32-N34 PolarHBondContact O-N 3.27Å; N32-D35 PolarHBondContact O-N 2.81Å; N32-D35 VanDerWaalsContact O-N 3.13Å |
| 33 | S | 57.9 | Low | 62.2 | Low | 32 Ų | 32 | 52.3 Ų | 52.3 | 22% | 0.224 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.4 | -29.3 | 178.7 | 56.1 | 0 | 0 | 0 | 0 | 112.1 | D35 L36 I37 | S33-D35 VanDerWaalsContact C-N 3.34Å; S33-D35 PolarHBondContact O-N 3.22Å; S33-L36 CarbonylContact O-C 3.6Å; S33-L36 WeakPolarHBondContact O-CA 3.3Å; S33-L36 VanDerWaalsContact O-CB 3.27Å; S33-L36 WeakPolarHBondContact O-CB 3.24Å; S33-L36 PolarHBondContact O-N 3.08Å; S33-I37 WeakPolarHBondContact O-CG1 3.36Å; S33-I37 PolarHBondContact O-N 3.42Å |
| 34 | N | 59.6 | Low | 61.9 | Low | 94 Ų | 94 | 58.7 Ų | 58.7 | 50% | 0.503 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.3 | -36.6 | 176.5 | -70.5 | -16.7 | 0 | 0 | 0 | 113.9 | N32 L36 I37 H38 | N32-N34 PolarHBondContact O-N 3.27Å; N34-L36 VanDerWaalsContact C-N 3.31Å; N34-I37 WeakPolarHBondContact O-CB 3.47Å; N34-I37 PolarHBondContact O-N 3.18Å; N34-H38 PolarHBondContact O-N 3.24Å |
| 35 | D | 62.5 | Low | 61.9 | Low | 66 Ų | 66 | 57.4 Ų | 57.4 | 35% | 0.353 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.2 | -38.2 | 178.2 | -57.3 | -37.4 | 0 | 0 | 0 | 110.1 | L30 N32 S33 H38 L39 | L30-D35 HydrophobicContact CD2-CB 3.74Å; N32-D35 PolarHBondContact O-N 2.81Å; N32-D35 VanDerWaalsContact O-N 3.13Å; S33-D35 VanDerWaalsContact C-N 3.34Å; S33-D35 PolarHBondContact O-N 3.22Å; D35-H38 PolarHBondContact O-N 3.05Å; D35-L39 WeakPolarHBondContact O-CB 3.29Å; D35-L39 PolarHBondContact O-N 3.02Å |
| 36 | L | 63 | Low | 61.8 | Low | 5 Ų | 5 | 65.1 Ų | 65.1 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 170.2 | -99.4 | 173.6 | 0 | 0 | 0 | 111.3 | L30 S33 N34 H38 L39 L40 L53 L58 L63 | L30-L36 HydrophobicContact CB-CG 4.42Å; L30-L36 HydrophobicContact CD1-CD2 3.93Å; L30-L36 HydrophobicContact CD1-CG 4.04Å; L30-L36 HydrophobicContact CD2-CG 4.47Å; S33-L36 CarbonylContact O-C 3.6Å; S33-L36 WeakPolarHBondContact O-CA 3.3Å; S33-L36 VanDerWaalsContact O-CB 3.27Å; S33-L36 WeakPolarHBondContact O-CB 3.24Å; S33-L36 PolarHBondContact O-N 3.08Å; N34-L36 VanDerWaalsContact C-N 3.31Å; L36-H38 VanDerWaalsContact C-N 3.31Å; L36-H38 PolarHBondContact O-N 3.39Å; L36-L39 PolarHBondContact O-N 2.75Å; L36-L40 HydrophobicContact CB-CD1 4.06Å; L36-L40 HydrophobicContact CD2-CD1 3.42Å; L36-L40 VanDerWaalsContact CD2-CD1 3.42Å; L36-L40 HydrophobicContact CD2-CG 4.15Å; L36-L40 HydrophobicContact CG-CD1 4.28Å; L36-L40 WeakPolarHBondContact O-CB 3.39Å; L36-L40 VanDerWaalsContact O-CD1 3.32Å; L36-L40 WeakPolarHBondContact O-CD1 3.43Å; L36-L40 WeakPolarHBondContact O-CG 3.4Å; L36-L40 PolarHBondContact O-N 3.38Å; L36-L53 HydrophobicContact CD2-CD1 3.66Å; L36-L53 HydrophobicContact CD2-CD2 3.94Å; L36-L53 HydrophobicContact CD2-CG 4.46Å; L36-L58 HydrophobicContact CD1-CD1 4.16Å; L36-L58 HydrophobicContact CD1-CD2 3.37Å; L36-L58 HydrophobicContact CD1-CG 4.39Å; L36-L58 HydrophobicContact CG-CD2 4Å; L36-L63 HydrophobicContact CB-CD1 4.13Å |
| 37 | I | 61.5 | Low | 62.1 | Low | 54 Ų | 54 | 68.1 Ų | 68.1 | 28% | 0.277 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.1 | -47.9 | 177.2 | -66.1 | 170.2 | 0 | 0 | 0 | 110 | S33 N34 L39 L40 N41 L63 | S33-I37 WeakPolarHBondContact O-CG1 3.36Å; S33-I37 PolarHBondContact O-N 3.42Å; N34-I37 WeakPolarHBondContact O-CB 3.47Å; N34-I37 PolarHBondContact O-N 3.18Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 PolarHBondContact O-N 2.88Å; I37-L40 PolarHBondContact O-N 2.81Å; I37-N41 VanDerWaalsContact O-CB 3.24Å; I37-N41 WeakPolarHBondContact O-CB 3.47Å; I37-N41 PolarHBondContact O-N 2.96Å; I37-L63 HydrophobicContact CB-CD1 4.48Å; I37-L63 HydrophobicContact CD1-CD1 4.21Å; I37-L63 HydrophobicContact CD1-CD2 4.1Å; I37-L63 HydrophobicContact CG1-CD1 3.35Å; I37-L63 HydrophobicContact CG1-CD2 3.74Å; I37-L63 HydrophobicContact CG1-CG 4.17Å |
| 38 | H | 62.1 | Low | 62.7 | Low | 106 Ų | 106 | 60.6 Ų | 60.6 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.7 | -37.6 | -177.1 | -156.4 | -55 | 0 | 0 | 0 | 111.9 | N34 D35 L36 | N34-H38 PolarHBondContact O-N 3.24Å; D35-H38 PolarHBondContact O-N 3.05Å; L36-H38 VanDerWaalsContact C-N 3.31Å; L36-H38 PolarHBondContact O-N 3.39Å |
| 39 | L | 61.4 | Low | 63.8 | Low | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.7 | -45.9 | 173.8 | -165.7 | 103.6 | 0 | 0 | 0 | 111.6 | L11 L14 F25 D35 L36 I37 I43 | L11-L39 HydrophobicContact CD2-CD1 3.33Å; L11-L39 HydrophobicContact CD2-CG 4.06Å; L11-L39 HydrophobicContact CG-CD1 3.89Å; L14-L39 HydrophobicContact CD1-CD1 4.48Å; L14-L39 HydrophobicContact CD1-CD2 4.1Å; L14-L39 HydrophobicContact CD1-CG 4.45Å; F25-L39 HydrophobicContact CD2-CD1 3.74Å; F25-L39 HydrophobicContact CD2-CD2 3.98Å; F25-L39 HydrophobicContact CE2-CD1 3.4Å; F25-L39 VanDerWaalsContact CE2-CD1 3.4Å; F25-L39 HydrophobicContact CE2-CD2 4.35Å; F25-L39 HydrophobicContact CG-CD2 4.21Å; F25-L39 HydrophobicContact CZ-CD1 4.16Å; D35-L39 WeakPolarHBondContact O-CB 3.29Å; D35-L39 PolarHBondContact O-N 3.02Å; L36-L39 PolarHBondContact O-N 2.75Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 PolarHBondContact O-N 2.88Å; L39-I43 HydrophobicContact CD2-CD1 4.31Å; L39-I43 HydrophobicContact CG-CD1 4.34Å; L39-I43 WeakPolarHBondContact O-CD1 2.81Å; L39-I43 WeakPolarHBondContact O-CG1 3.48Å |
| 40 | L | 62.3 | Low | 64.9 | Low | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -83.3 | -30.5 | -171 | -70.2 | 160.1 | 0 | 0 | 0 | 113.9 | L36 I37 Q42 I43 W45 | L36-L40 HydrophobicContact CB-CD1 4.06Å; L36-L40 HydrophobicContact CD2-CD1 3.42Å; L36-L40 VanDerWaalsContact CD2-CD1 3.42Å; L36-L40 HydrophobicContact CD2-CG 4.15Å; L36-L40 HydrophobicContact CG-CD1 4.28Å; L36-L40 WeakPolarHBondContact O-CB 3.39Å; L36-L40 VanDerWaalsContact O-CD1 3.32Å; L36-L40 WeakPolarHBondContact O-CD1 3.43Å; L36-L40 WeakPolarHBondContact O-CG 3.4Å; L36-L40 PolarHBondContact O-N 3.38Å; I37-L40 PolarHBondContact O-N 2.81Å; L40-Q42 PolarHBondContact O-N 2.94Å; L40-I43 HydrophobicContact CD2-CD1 4.35Å; L40-I43 PolarHBondContact O-N 2.71Å; L40-W45 HydrophobicContact CB-CH2 4.18Å; L40-W45 HydrophobicContact CB-CZ2 3.67Å; L40-W45 HydrophobicContact CD1-CH2 3.31Å; L40-W45 HydrophobicContact CD1-CZ2 3.51Å; L40-W45 HydrophobicContact CD1-CZ3 4.3Å; L40-W45 HydrophobicContact CD2-CH2 3.83Å; L40-W45 HydrophobicContact CD2-CZ2 4.17Å; L40-W45 HydrophobicContact CD2-CZ3 4.06Å; L40-W45 HydrophobicContact CG-CH2 3.97Å; L40-W45 HydrophobicContact CG-CZ2 3.98Å |
| 41 | N | 63.8 | Low | 65.9 | Low | 120 Ų | 120 | 60.3 Ų | 60.3 | 64% | 0.642 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.5 | -26.7 | 171 | -90.6 | -9.6 | 0 | 0 | 0 | 111.6 | I37 I43 | I37-N41 VanDerWaalsContact O-CB 3.24Å; I37-N41 WeakPolarHBondContact O-CB 3.47Å; I37-N41 PolarHBondContact O-N 2.96Å; N41-I43 VanDerWaalsContact C-N 3.32Å |
| 42 | Q | 61.3 | Low | 67.1 | Low | 115 Ų | 115 | 59.2 Ų | 59.2 | 54% | 0.537 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -20 | 173.2 | -64 | -174.6 | 4.7 | 0 | 0 | 113.2 | L40 | L40-Q42 PolarHBondContact O-N 2.94Š|
| 43 | I | 61.3 | Low | 68.3 | Low | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -17.6 | -165.6 | -69.4 | 170.6 | 0 | 0 | 0 | 113.7 | L14 F23 L39 L40 N41 L48 | L14-I43 HydrophobicContact CD1-CD1 4.18Å; L14-I43 HydrophobicContact CD2-CD1 4.12Å; F23-I43 HydrophobicContact CD1-CD1 3.6Å; F23-I43 HydrophobicContact CD1-CG1 3.95Å; F23-I43 HydrophobicContact CD1-CG2 4.24Å; F23-I43 HydrophobicContact CD2-CG2 3.66Å; F23-I43 HydrophobicContact CE1-CB 4.33Å; F23-I43 HydrophobicContact CE1-CD1 3.79Å; F23-I43 HydrophobicContact CE1-CG1 3.58Å; F23-I43 HydrophobicContact CE1-CG2 3.97Å; F23-I43 HydrophobicContact CE2-CB 4.42Å; F23-I43 HydrophobicContact CE2-CG2 3.31Å; F23-I43 HydrophobicContact CG-CD1 4.08Å; F23-I43 HydrophobicContact CG-CG2 4.08Å; F23-I43 HydrophobicContact CZ-CB 4.14Å; F23-I43 HydrophobicContact CZ-CD1 4.42Å; F23-I43 HydrophobicContact CZ-CG1 3.88Å; F23-I43 HydrophobicContact CZ-CG2 3.48Å; F23-I43 VanDerWaalsContact CZ-CG2 3.48Å; L39-I43 HydrophobicContact CD2-CD1 4.31Å; L39-I43 HydrophobicContact CG-CD1 4.34Å; L39-I43 WeakPolarHBondContact O-CD1 2.81Å; L39-I43 WeakPolarHBondContact O-CG1 3.48Å; L40-I43 HydrophobicContact CD2-CD1 4.35Å; L40-I43 PolarHBondContact O-N 2.71Å; N41-I43 VanDerWaalsContact C-N 3.32Å; I43-L48 HydrophobicContact CG2-CD1 4.43Å |
| 44 | Q | 63.7 | Low | 69.8 | Low | 145 Ų | 145 | 54.4 Ų | 54.4 | 68% | 0.678 | 27% | 0.273 | S | S | * | . | trans | 53.7 | 96.7 | -173.3 | -67.6 | -174 | -10 | 0 | 0 | 113.8 | K46 | Q44-K46 PolarHBondContact O-N 3.26Š| ||
| 45 | W | 63 | Low | 71.1 | Confident | 40 Ų | 40 | 51.9 Ų | 51.9 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -47.2 | -32.6 | 179.3 | -61.7 | 101.2 | 0 | 0 | 0 | 116.4 | L40 N47 L48 L63 L64 A67 | L40-W45 HydrophobicContact CB-CH2 4.18Å; L40-W45 HydrophobicContact CB-CZ2 3.67Å; L40-W45 HydrophobicContact CD1-CH2 3.31Å; L40-W45 HydrophobicContact CD1-CZ2 3.51Å; L40-W45 HydrophobicContact CD1-CZ3 4.3Å; L40-W45 HydrophobicContact CD2-CH2 3.83Å; L40-W45 HydrophobicContact CD2-CZ2 4.17Å; L40-W45 HydrophobicContact CD2-CZ3 4.06Å; L40-W45 HydrophobicContact CG-CH2 3.97Å; L40-W45 HydrophobicContact CG-CZ2 3.98Å; W45-N47 PolarHBondContact O-N 3.39Å; W45-L48 HydrophobicContact CE3-CD2 4.48Å; W45-L48 PolarHBondContact O-N 2.76Å; W45-L63 HydrophobicContact CH2-CB 4.29Å; W45-L63 HydrophobicContact CZ2-CB 4.12Å; W45-L64 HydrophobicContact CH2-CD2 3.93Å; W45-L64 HydrophobicContact CZ3-CD2 3.72Å; W45-A67 HydrophobicContact CE3-CB 3.63Å; W45-A67 HydrophobicContact CZ3-CB 3.8Å |
| 46 | K | 64.9 | Low | 72 | Confident | 163 Ų | 163 | 48.8 Ų | 48.8 | 71% | 0.709 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -61.8 | -15.7 | -166 | -72.5 | -172.8 | 177.2 | -178.5 | 0 | 115.5 | Q44 K69 | Q44-K46 PolarHBondContact O-N 3.26Å; K46-K69 WeakPolarHBondContact O-CD 3.47Å; K46-K69 WeakPolarHBondContact O-CE 3.4Å; K46-K69 PolarHBondContact O-NZ 2.98Å |
| 47 | N | 68.8 | Low | 73 | Confident | 89 Ų | 89 | 53.6 Ų | 53.6 | 48% | 0.476 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -123.8 | 3.3 | -178.1 | -69.3 | -19.3 | 0 | 0 | 0 | 113.6 | W45 T49 | W45-N47 PolarHBondContact O-N 3.39Å; N47-T49 PolarHBondContact O-N 2.8Å |
| 48 | L | 73.9 | Confident | 74.1 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | trans | -77.7 | 116.1 | -175.8 | -171.8 | 69.2 | 0 | 0 | 0 | 110.4 | F23 I43 W45 S50 L51 K69 L70 | F23-L48 HydrophobicContact CB-CD1 4.26Å; F23-L48 HydrophobicContact CD2-CD1 3.26Å; F23-L48 HydrophobicContact CE2-CD1 3.96Å; F23-L48 HydrophobicContact CG-CD1 4.17Å; I43-L48 HydrophobicContact CG2-CD1 4.43Å; W45-L48 HydrophobicContact CE3-CD2 4.48Å; W45-L48 PolarHBondContact O-N 2.76Å; L48-S50 WeakPolarHBondContact CD1-O 3.27Å; L48-L51 HydrophobicContact CD2-CB 4.02Å; L48-L51 HydrophobicContact CD2-CD1 4.22Å; L48-L51 HydrophobicContact CD2-CD2 3.98Å; L48-L51 HydrophobicContact CD2-CG 4.29Å; L48-K69 CarbonylContact O-C 3.6Å; L48-L70 HydrophobicContact CD2-CD1 4.12Å; L48-L70 HydrophobicContact CG-CD1 3.9Å; L48-L70 WeakPolarHBondContact O-CA 3.32Å; L48-L70 PolarHBondContact O-N 2.96Å | ||
| 49 | T | 83 | Confident | 75.3 | Confident | 35 Ų | 35 | 53.5 Ų | 53.5 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | trans | -105.3 | -24.2 | 177.7 | 62 | 0 | 0 | 0 | 0 | 112.4 | Q21 N47 E71 C72 | Q21-T49 PolarHBondContact O-N 2.85Å; Q21-T49 PolarHBondContact O-OG1 3.35Å; N47-T49 PolarHBondContact O-N 2.8Å; T49-E71 WeakPolarHBondContact O-CA 3.31Å; T49-E71 WeakPolarHBondContact O-CB 3.11Å; T49-E71 PolarHBondContact O-N 3.18Å; T49-C72 PolarHBondContact O-N 2.8Å | ||
| 50 | S | 84.2 | Confident | 76.2 | Confident | 42 Ų | 42 | 56.2 Ų | 56.2 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 129.6 | 179.1 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | Q21 S22 F23 L48 C72 | Q21-S50 PolarHBondContact O-N 3.04Å; S22-S50 CarbonylContact C-O 3.18Å; S22-S50 VanDerWaalsContact CA-O 3.24Å; S22-S50 WeakPolarHBondContact CA-O 3.31Å; F23-S50 PolarHBondContact N-O 3.05Å; L48-S50 WeakPolarHBondContact CD1-O 3.27Å; S50-C72 CarbonylContact C-O 3.57Å; S50-C72 WeakPolarHBondContact CA-O 3.26Å |
| 51 | L | 85.7 | Confident | 77.2 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 118.9 | -177.9 | -178.5 | 58.4 | 0 | 0 | 0 | 110.2 | F23 L48 L53 L64 L70 C72 L73 D74 | F23-L51 HydrophobicContact CB-CD1 4.18Å; F23-L51 WeakPolarHBondContact O-CA 3.35Å; L48-L51 HydrophobicContact CD2-CB 4.02Å; L48-L51 HydrophobicContact CD2-CD1 4.22Å; L48-L51 HydrophobicContact CD2-CD2 3.98Å; L48-L51 HydrophobicContact CD2-CG 4.29Å; L51-L53 HydrophobicContact CD1-CD1 4.41Å; L51-L53 HydrophobicContact CD1-CD2 4.01Å; L51-L53 HydrophobicContact CD1-CG 3.92Å; L51-L53 HydrophobicContact CD2-CD1 3.81Å; L51-L53 HydrophobicContact CD2-CG 4.14Å; L51-L53 HydrophobicContact CG-CD1 4.11Å; L51-L53 HydrophobicContact CG-CD2 4.49Å; L51-L53 HydrophobicContact CG-CG 3.85Å; L51-L64 HydrophobicContact CD2-CD2 3.82Å; L51-L70 HydrophobicContact CB-CD1 3.65Å; L51-L70 HydrophobicContact CB-CD2 4.29Å; L51-C72 PolarHBondContact N-O 3.34Å; L51-L73 HydrophobicContact CB-CD1 4.19Å; L51-L73 HydrophobicContact CD2-CD1 4.21Å; L51-L73 HydrophobicContact CG-CD1 4.25Å; L51-L73 WeakPolarHBondContact O-CA 3.35Å; L51-D74 PolarHBondContact O-N 3.27Å |
| 52 | N | 85.6 | Confident | 77.9 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 14% | 0.144 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 116.7 | 169.3 | -169.9 | -34.7 | 0 | 0 | 0 | 109.3 | F23 H24 F25 S54 D74 | F23-N52 PolarHBondContact O-N 2.96Å; H24-N52 HydrophobicContact CB-CB 4.3Å; H24-N52 VanDerWaalsContact CD2-CB 3.49Å; H24-N52 WeakPolarHBondContact CD2-CB 3.4Å; H24-N52 PolarHBondContact CD2-ND2 3.39Å; F25-N52 PolarHBondContact N-O 3.48Å; F25-N52 VanDerWaalsContact O-O 3.13Å; N52-S54 VanDerWaalsContact OD1-CB 3.24Å; N52-S54 WeakPolarHBondContact OD1-CB 3.4Å; N52-S54 PolarHBondContact OD1-N 3.03Å; N52-S54 PolarHBondContact OD1-OG 3.47Å; N52-D74 HydrophobicContact CB-CB 4.23Å; N52-D74 PolarHBondContact ND2-OD2 2.98Å |
| 53 | L | 85.8 | Confident | 78.4 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | trans | -122.9 | 27.4 | 174.2 | -64.2 | 176 | 0 | 0 | 0 | 111 | F25 L30 L36 L51 N56 L58 D74 L75 N78 | F25-L53 HydrophobicContact CB-CD2 4.01Å; F25-L53 WeakPolarHBondContact O-CA 3.5Å; L30-L53 HydrophobicContact CD1-CD2 4.14Å; L36-L53 HydrophobicContact CD2-CD1 3.66Å; L36-L53 HydrophobicContact CD2-CD2 3.94Å; L36-L53 HydrophobicContact CD2-CG 4.46Å; L51-L53 HydrophobicContact CD1-CD1 4.41Å; L51-L53 HydrophobicContact CD1-CD2 4.01Å; L51-L53 HydrophobicContact CD1-CG 3.92Å; L51-L53 HydrophobicContact CD2-CD1 3.81Å; L51-L53 HydrophobicContact CD2-CG 4.14Å; L51-L53 HydrophobicContact CG-CD1 4.11Å; L51-L53 HydrophobicContact CG-CD2 4.49Å; L51-L53 HydrophobicContact CG-CG 3.85Å; L53-N56 VanDerWaalsContact CA-ND2 3.35Å; L53-N56 WeakPolarHBondContact CA-ND2 3.34Å; L53-N56 PolarHBondContact O-ND2 3.05Å; L53-L58 HydrophobicContact CB-CD1 3.8Å; L53-L58 HydrophobicContact CD1-CD1 4.06Å; L53-D74 CarbonylContact C-O 3.57Å; L53-D74 PolarHBondContact N-O 3.29Å; L53-L75 HydrophobicContact CB-CD2 4.06Å; L53-L75 HydrophobicContact CD1-CD2 4.21Å; L53-N78 PolarHBondContact O-ND2 3.26Å | ||
| 54 | S | 88.8 | Confident | 79.2 | Confident | 13 Ų | 13 | 49.4 Ų | 49.4 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 149.3 | 178.4 | 65.4 | 0 | 0 | 0 | 0 | 112.1 | N52 N56 D74 S76 | N52-S54 VanDerWaalsContact OD1-CB 3.24Å; N52-S54 WeakPolarHBondContact OD1-CB 3.4Å; N52-S54 PolarHBondContact OD1-N 3.03Å; N52-S54 PolarHBondContact OD1-OG 3.47Å; S54-N56 PolarHBondContact O-N 2.65Å; S54-N56 PolarHBondContact O-ND2 2.95Å; S54-D74 PolarHBondContact N-O 3.3Å; S54-S76 CarbonylContact C-O 3.29Å; S54-S76 WeakPolarHBondContact CA-O 3.39Å; S54-S76 WeakPolarHBondContact CB-O 3.4Å; S54-S76 VanDerWaalsContact CB-OG 3.31Å; S54-S76 WeakPolarHBondContact CB-OG 3.32Å |
| 55 | S | 87.2 | Confident | 79.7 | Confident | 41 Ų | 41 | 45.9 Ų | 45.9 | 29% | 0.287 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 36.3 | 173.3 | -50.9 | 0 | 0 | 0 | 0 | 115.4 | E27 S76 N77 | E27-S55 PolarHBondContact N-O 3.17Å; S55-S76 PolarHBondContact N-O 2.81Å; S55-N77 VanDerWaalsContact CA-O 3.24Å; S55-N77 WeakPolarHBondContact CA-O 3.33Å; S55-N77 PolarHBondContact N-O 3.16Å; S55-N77 PolarHBondContact OG-ND2 3.42Å |
| 56 | N | 81.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -117.1 | 13.8 | -177.7 | -62.6 | -59.2 | 0 | 0 | 0 | 115.4 | F25 E27 G28 L30 L53 S54 L58 N78 | F25-N56 VanDerWaalsContact CD1-OD1 3.27Å; F25-N56 WeakPolarHBondContact CD1-OD1 3.36Å; F25-N56 WeakPolarHBondContact CE1-OD1 3.16Å; F25-N56 PolarHBondContact O-ND2 3.07Å; E27-N56 PolarHBondContact N-OD1 2.79Å; G28-N56 PolarHBondContact N-OD1 3.2Å; G28-N56 CarbonylContact O-C 3.26Å; G28-N56 WeakPolarHBondContact O-CA 3.21Å; G28-N56 WeakPolarHBondContact O-CB 3.17Å; G28-N56 PolarHBondContact O-OD1 3.38Å; L30-N56 CarbonylContact C-O 3.3Å; L30-N56 HydrophobicContact CB-CB 3.95Å; L30-N56 HydrophobicContact CD1-CB 3.82Å; L30-N56 HydrophobicContact CG-CB 4.07Å; L30-N56 PolarHBondContact N-O 3.2Å; L30-N56 VanDerWaalsContact N-O 3.09Å; L53-N56 VanDerWaalsContact CA-ND2 3.35Å; L53-N56 WeakPolarHBondContact CA-ND2 3.34Å; L53-N56 PolarHBondContact O-ND2 3.05Å; S54-N56 PolarHBondContact O-N 2.65Å; S54-N56 PolarHBondContact O-ND2 2.95Å; N56-L58 HydrophobicContact CB-CD2 4.43Å; N56-L58 HydrophobicContact CB-CG 4.22Å; N56-L58 PolarHBondContact O-N 3.11Å; N56-N78 VanDerWaalsContact C-OD1 3.3Å; N56-N78 WeakPolarHBondContact CA-OD1 3.47Å; N56-N78 PolarHBondContact N-OD1 3.27Å |
| 57 | K | 83.9 | Confident | 80.8 | Confident | 107 Ų | 107 | 44.1 Ų | 44.1 | 47% | 0.465 | 22% | 0.219 | S | C | . | . | trans | 59.5 | 27.8 | 179.9 | -50.2 | -174.7 | -173.7 | 167.4 | 0 | 114.3 | N78 F79 | K57-N78 PolarHBondContact N-OD1 3.09Å; K57-F79 HydrophobicContact CB-CD2 3.78Å; K57-F79 HydrophobicContact CB-CE2 3.6Å; K57-F79 HydrophobicContact CD-CE2 4.28Å; K57-F79 HydrophobicContact CG-CD2 4.41Å; K57-F79 HydrophobicContact CG-CE2 3.73Å | ||
| 58 | L | 84.4 | Confident | 81.1 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | trans | -63 | 136.7 | -179.6 | -60.5 | -178.8 | 0 | 0 | 0 | 111.7 | L30 L36 L53 N56 I61 L75 N78 F79 L80 | L30-L58 HydrophobicContact CB-CD2 3.48Å; L30-L58 VanDerWaalsContact CB-CD2 3.48Å; L30-L58 HydrophobicContact CD1-CD2 4.23Å; L30-L58 VanDerWaalsContact O-CD2 3.31Å; L30-L58 WeakPolarHBondContact O-CD2 3.36Å; L36-L58 HydrophobicContact CD1-CD1 4.16Å; L36-L58 HydrophobicContact CD1-CD2 3.37Å; L36-L58 HydrophobicContact CD1-CG 4.39Å; L36-L58 HydrophobicContact CG-CD2 4Å; L53-L58 HydrophobicContact CB-CD1 3.8Å; L53-L58 HydrophobicContact CD1-CD1 4.06Å; N56-L58 HydrophobicContact CB-CD2 4.43Å; N56-L58 HydrophobicContact CB-CG 4.22Å; N56-L58 PolarHBondContact O-N 3.11Å; L58-I61 HydrophobicContact CD1-CG2 4.42Å; L58-L75 HydrophobicContact CD1-CD2 3.88Å; L58-N78 HydrophobicContact CB-CB 3.96Å; L58-N78 WeakPolarHBondContact CG-OD1 3.46Å; L58-N78 PolarHBondContact N-OD1 3.04Å; L58-F79 CarbonylContact O-C 3.2Å; L58-F79 VanDerWaalsContact O-CA 3.27Å; L58-F79 WeakPolarHBondContact O-CA 3.47Å; L58-F79 PolarHBondContact O-N 2.58Å; L58-L80 HydrophobicContact CB-CD2 3.98Å; L58-L80 PolarHBondContact O-N 2.79Å | ||
| 59 | R | 86 | Confident | 81.6 | Confident | 155 Ų | 155 | 48.6 Ų | 48.6 | 59% | 0.585 | 24% | 0.238 | S | C | * | . | trans | -114.1 | -21 | 169.5 | -70.8 | -172.5 | 176.7 | 98.6 | -0.9 | 113.5 | F79 | R59-F79 HydrophobicContact CG-CB 3.81Š| ||
| 60 | D | 81.3 | Confident | 81.7 | Confident | 64 Ų | 64 | 46.9 Ų | 46.9 | 34% | 0.342 | 23% | 0.228 | S | C | . | . | trans | -135.5 | 136.7 | -176.3 | -173.9 | 7.7 | 0 | 0 | 0 | 110 | T62 | D60-T62 VanDerWaalsContact CG-OG1 3.28Å; D60-T62 WeakPolarHBondContact OD1-CB 3.32Å; D60-T62 WeakPolarHBondContact OD1-CG2 3.04Å; D60-T62 PolarHBondContact OD1-N 3.28Å; D60-T62 PolarHBondContact OD1-OG1 3.07Å; D60-T62 PolarHBondContact OD2-OG1 2.93Å | ||
| 61 | I | 82.2 | Confident | 82.1 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | trans | -128.7 | 18.5 | 178.6 | 57.6 | 161.8 | 0 | 0 | 0 | 112.1 | L58 L63 L64 L75 L80 I83 I86 | L58-I61 HydrophobicContact CD1-CG2 4.42Å; I61-L63 PolarHBondContact O-N 2.89Å; I61-L64 HydrophobicContact CB-CD1 3.94Å; I61-L64 HydrophobicContact CB-CG 4.26Å; I61-L64 HydrophobicContact CD1-CD1 4.24Å; I61-L64 HydrophobicContact CG2-CD1 4.34Å; I61-L64 WeakPolarHBondContact O-CB 3.3Å; I61-L64 PolarHBondContact O-N 3.22Å; I61-L75 HydrophobicContact CD1-CD1 3.78Å; I61-L75 HydrophobicContact CG2-CD1 4.14Å; I61-L75 HydrophobicContact CG2-CD2 3.88Å; I61-L80 HydrophobicContact CD1-CD1 4.48Å; I61-L80 HydrophobicContact CG2-CD1 3.98Å; I61-L80 HydrophobicContact CG2-CD2 3.73Å; I61-I83 HydrophobicContact CD1-CB 4.2Å; I61-I83 HydrophobicContact CD1-CG2 4.07Å; I61-I86 HydrophobicContact CD1-CD1 3.84Å; I61-I86 HydrophobicContact CD1-CG1 3.52Å | ||
| 62 | T | 79.3 | Confident | 82.4 | Confident | 63 Ų | 63 | 51.2 Ų | 51.2 | 39% | 0.387 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -51.2 | -27.6 | 179.3 | 47 | 0 | 0 | 0 | 0 | 114.3 | D60 L64 N65 S85 | D60-T62 VanDerWaalsContact CG-OG1 3.28Å; D60-T62 WeakPolarHBondContact OD1-CB 3.32Å; D60-T62 WeakPolarHBondContact OD1-CG2 3.04Å; D60-T62 PolarHBondContact OD1-N 3.28Å; D60-T62 PolarHBondContact OD1-OG1 3.07Å; D60-T62 PolarHBondContact OD2-OG1 2.93Å; T62-L64 VanDerWaalsContact C-N 3.29Å; T62-L64 PolarHBondContact O-N 3.46Å; T62-N65 VanDerWaalsContact O-CB 3.3Å; T62-N65 WeakPolarHBondContact O-CB 3.44Å; T62-N65 PolarHBondContact O-N 3.44Å; T62-N65 PolarHBondContact O-ND2 2.99Å; T62-N65 VanDerWaalsContact O-ND2 3.12Å; T62-S85 WeakPolarHBondContact CA-OG 3.5Å |
| 63 | L | 71.5 | Confident | 82.7 | Confident | 36 Ų | 36 | 50.2 Ų | 50.2 | 19% | 0.188 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -69.1 | -21.7 | 178.5 | -61 | 163.5 | 0 | 0 | 0 | 114.1 | L36 I37 W45 I61 N65 Y66 | L36-L63 HydrophobicContact CB-CD1 4.13Å; I37-L63 HydrophobicContact CB-CD1 4.48Å; I37-L63 HydrophobicContact CD1-CD1 4.21Å; I37-L63 HydrophobicContact CD1-CD2 4.1Å; I37-L63 HydrophobicContact CG1-CD1 3.35Å; I37-L63 HydrophobicContact CG1-CD2 3.74Å; I37-L63 HydrophobicContact CG1-CG 4.17Å; W45-L63 HydrophobicContact CH2-CB 4.29Å; W45-L63 HydrophobicContact CZ2-CB 4.12Å; I61-L63 PolarHBondContact O-N 2.89Å; L63-N65 PolarHBondContact O-N 3.49Å; L63-N65 VanDerWaalsContact O-N 3.08Å; L63-Y66 PolarHBondContact O-N 3.29Å |
| 64 | L | 77.7 | Confident | 83 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -65.8 | -8.3 | 174.7 | -63.9 | -177.6 | 0 | 0 | 0 | 112.6 | W45 L51 I61 T62 Y66 A67 L73 L75 C89 | W45-L64 HydrophobicContact CH2-CD2 3.93Å; W45-L64 HydrophobicContact CZ3-CD2 3.72Å; L51-L64 HydrophobicContact CD2-CD2 3.82Å; I61-L64 HydrophobicContact CB-CD1 3.94Å; I61-L64 HydrophobicContact CB-CG 4.26Å; I61-L64 HydrophobicContact CD1-CD1 4.24Å; I61-L64 HydrophobicContact CG2-CD1 4.34Å; I61-L64 WeakPolarHBondContact O-CB 3.3Å; I61-L64 PolarHBondContact O-N 3.22Å; T62-L64 VanDerWaalsContact C-N 3.29Å; T62-L64 PolarHBondContact O-N 3.46Å; L64-Y66 PolarHBondContact O-N 3.17Å; L64-A67 WeakPolarHBondContact O-CB 3.36Å; L64-A67 PolarHBondContact O-N 3.2Å; L64-L73 HydrophobicContact CD1-CD1 4.19Å; L64-L73 HydrophobicContact CD1-CD2 3.61Å; L64-L75 HydrophobicContact CD1-CD1 4.13Å; L64-C89 PolarHBondContact O-SG 3.27Å |
| 65 | N | 74.9 | Confident | 83.2 | Confident | 71 Ų | 71 | 51.1 Ų | 51.1 | 38% | 0.38 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -56.6 | -19.4 | 173.7 | -78.1 | -21.4 | 0 | 0 | 0 | 114.3 | T62 L63 S85 S88 | T62-N65 VanDerWaalsContact O-CB 3.3Å; T62-N65 WeakPolarHBondContact O-CB 3.44Å; T62-N65 PolarHBondContact O-N 3.44Å; T62-N65 PolarHBondContact O-ND2 2.99Å; T62-N65 VanDerWaalsContact O-ND2 3.12Å; L63-N65 PolarHBondContact O-N 3.49Å; L63-N65 VanDerWaalsContact O-N 3.08Å; N65-S85 WeakPolarHBondContact OD1-CA 3.35Å; N65-S85 WeakPolarHBondContact OD1-CB 3.13Å; N65-S85 PolarHBondContact OD1-O 3.44Å; N65-S88 PolarHBondContact OD1-OG 2.9Å |
| 66 | Y | 73.2 | Confident | 83.6 | Confident | 165 Ų | 165 | 50 Ų | 50 | 65% | 0.647 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -100.4 | -0.3 | 178.9 | -55.3 | -76.3 | 0 | 0 | 0 | 113.9 | L63 L64 D68 | L63-Y66 PolarHBondContact O-N 3.29Å; L64-Y66 PolarHBondContact O-N 3.17Å; Y66-D68 PolarHBondContact O-N 3.37Å |
| 67 | A | 76.9 | Confident | 84.1 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | trans | -92.9 | 55.9 | -175 | 0 | 0 | 0 | 0 | 0 | 112.3 | W45 L64 K69 L70 | W45-A67 HydrophobicContact CE3-CB 3.63Å; W45-A67 HydrophobicContact CZ3-CB 3.8Å; L64-A67 WeakPolarHBondContact O-CB 3.36Å; L64-A67 PolarHBondContact O-N 3.2Å; A67-K69 VanDerWaalsContact C-N 3.29Å; A67-K69 PolarHBondContact O-N 3.19Å; A67-L70 HydrophobicContact CB-CB 4.15Å; A67-L70 HydrophobicContact CB-CD2 4.45Å; A67-L70 WeakPolarHBondContact O-CB 3.4Å; A67-L70 PolarHBondContact O-N 2.91Å | ||
| 68 | D | 77 | Confident | 84.5 | Confident | 88 Ų | 88 | 49.1 Ų | 49.1 | 47% | 0.471 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.2 | -173.3 | 63.5 | -22.6 | 0 | 0 | 0 | 115 | Y66 S91 | Y66-D68 PolarHBondContact O-N 3.37Å; D68-S91 VanDerWaalsContact O-CB 3.26Å; D68-S91 WeakPolarHBondContact O-CB 3.44Å; D68-S91 PolarHBondContact O-OG 3.28Å |
| 69 | K | 82.8 | Confident | 84.7 | Confident | 96 Ų | 96 | 54.2 Ų | 54.2 | 42% | 0.417 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 3.7 | 177.3 | -60.4 | -160.5 | -165.1 | 159.3 | 0 | 115.1 | K46 L48 A67 E71 | K46-K69 WeakPolarHBondContact O-CD 3.47Å; K46-K69 WeakPolarHBondContact O-CE 3.4Å; K46-K69 PolarHBondContact O-NZ 2.98Å; L48-K69 CarbonylContact O-C 3.6Å; A67-K69 VanDerWaalsContact C-N 3.29Å; A67-K69 PolarHBondContact O-N 3.19Å; K69-E71 PolarHBondContact O-N 2.68Å |
| 70 | L | 86.8 | Confident | 85 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -71.2 | 123.8 | -177.1 | -165.4 | 71.6 | 0 | 0 | 0 | 110.7 | L48 L51 A67 L73 S91 L92 | L48-L70 HydrophobicContact CD2-CD1 4.12Å; L48-L70 HydrophobicContact CG-CD1 3.9Å; L48-L70 WeakPolarHBondContact O-CA 3.32Å; L48-L70 PolarHBondContact O-N 2.96Å; L51-L70 HydrophobicContact CB-CD1 3.65Å; L51-L70 HydrophobicContact CB-CD2 4.29Å; A67-L70 HydrophobicContact CB-CB 4.15Å; A67-L70 HydrophobicContact CB-CD2 4.45Å; A67-L70 WeakPolarHBondContact O-CB 3.4Å; A67-L70 PolarHBondContact O-N 2.91Å; L70-L73 HydrophobicContact CD2-CB 3.78Å; L70-L73 HydrophobicContact CD2-CD1 3.94Å; L70-L73 HydrophobicContact CD2-CD2 3.99Å; L70-L73 HydrophobicContact CD2-CG 4.1Å; L70-S91 CarbonylContact O-C 3.58Å; L70-L92 HydrophobicContact CD2-CD1 4.37Å; L70-L92 HydrophobicContact CG-CD1 4.29Å; L70-L92 VanDerWaalsContact O-CA 3.25Å; L70-L92 WeakPolarHBondContact O-CA 3.36Å; L70-L92 PolarHBondContact O-N 2.91Å; L70-L92 VanDerWaalsContact O-N 3.13Å | ||
| 71 | E | 91.7 | Very high | 85.5 | Confident | 86 Ų | 86 | 48.5 Ų | 48.5 | 40% | 0.402 | 24% | 0.243 | S | C | . | . | trans | -103.8 | -36.7 | -179 | -64.5 | 178.1 | -178.4 | 0 | 0 | 111.8 | T49 K69 I93 S94 | T49-E71 WeakPolarHBondContact O-CA 3.31Å; T49-E71 WeakPolarHBondContact O-CB 3.11Å; T49-E71 PolarHBondContact O-N 3.18Å; K69-E71 PolarHBondContact O-N 2.68Å; E71-I93 HydrophobicContact CB-CD1 4.15Å; E71-I93 HydrophobicContact CB-CG1 4.32Å; E71-I93 HydrophobicContact CG-CD1 4.2Å; E71-I93 WeakPolarHBondContact O-CA 3.26Å; E71-I93 PolarHBondContact O-N 2.79Å; E71-S94 PolarHBondContact O-N 3.03Å | ||
| 72 | C | 91.5 | Very high | 85.7 | Confident | 51 Ų | 51 | 52.6 Ų | 52.6 | 35% | 0.345 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 123.4 | -179.9 | -69.2 | 0 | 0 | 0 | 0 | 110.4 | T49 S50 L51 S94 | T49-C72 PolarHBondContact O-N 2.8Å; S50-C72 CarbonylContact C-O 3.57Å; S50-C72 WeakPolarHBondContact CA-O 3.26Å; L51-C72 PolarHBondContact N-O 3.34Å; C72-S94 WeakPolarHBondContact CA-O 3.49Å |
| 73 | L | 92.8 | Very high | 86.2 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 124.5 | 179 | 178.6 | 56.6 | 0 | 0 | 0 | 110.8 | L51 L64 L70 L75 L92 S94 L95 D96 | L51-L73 HydrophobicContact CB-CD1 4.19Å; L51-L73 HydrophobicContact CD2-CD1 4.21Å; L51-L73 HydrophobicContact CG-CD1 4.25Å; L51-L73 WeakPolarHBondContact O-CA 3.35Å; L64-L73 HydrophobicContact CD1-CD1 4.19Å; L64-L73 HydrophobicContact CD1-CD2 3.61Å; L70-L73 HydrophobicContact CD2-CB 3.78Å; L70-L73 HydrophobicContact CD2-CD1 3.94Å; L70-L73 HydrophobicContact CD2-CD2 3.99Å; L70-L73 HydrophobicContact CD2-CG 4.1Å; L73-L75 HydrophobicContact CD1-CD1 4.26Å; L73-L75 HydrophobicContact CD1-CD2 4.12Å; L73-L75 HydrophobicContact CD1-CG 3.8Å; L73-L75 HydrophobicContact CD2-CD1 3.75Å; L73-L75 HydrophobicContact CD2-CG 4.19Å; L73-L75 HydrophobicContact CG-CD1 4Å; L73-L75 HydrophobicContact CG-CG 3.88Å; L73-L92 HydrophobicContact CB-CD1 3.69Å; L73-S94 PolarHBondContact N-O 3.26Å; L73-L95 HydrophobicContact CB-CD1 3.96Å; L73-L95 HydrophobicContact CD2-CD1 3.86Å; L73-L95 HydrophobicContact CG-CD1 3.91Å; L73-L95 WeakPolarHBondContact O-CA 3.37Å; L73-D96 PolarHBondContact O-N 3.45Å |
| 74 | D | 92.4 | Very high | 86.9 | Confident | 35 Ų | 35 | 51.4 Ų | 51.4 | 19% | 0.187 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 113.5 | 171.7 | -177.6 | 0.1 | 0 | 0 | 0 | 109.5 | L51 N52 L53 S54 S76 D96 | L51-D74 PolarHBondContact O-N 3.27Å; N52-D74 HydrophobicContact CB-CB 4.23Å; N52-D74 PolarHBondContact ND2-OD2 2.98Å; L53-D74 CarbonylContact C-O 3.57Å; L53-D74 PolarHBondContact N-O 3.29Å; S54-D74 PolarHBondContact N-O 3.3Å; D74-S76 WeakPolarHBondContact OD1-CB 3.12Å; D74-S76 PolarHBondContact OD1-N 3.39Å; D74-S76 PolarHBondContact OD1-OG 2.96Å; D74-D96 HydrophobicContact CB-CB 4.44Å |
| 75 | L | 93.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -117.5 | 16.6 | 176.8 | -69.9 | 170.7 | 0 | 0 | 0 | 111 | L53 L58 I61 L64 L73 N78 L80 I86 D96 I97 N100 | L53-L75 HydrophobicContact CB-CD2 4.06Å; L53-L75 HydrophobicContact CD1-CD2 4.21Å; L58-L75 HydrophobicContact CD1-CD2 3.88Å; I61-L75 HydrophobicContact CD1-CD1 3.78Å; I61-L75 HydrophobicContact CG2-CD1 4.14Å; I61-L75 HydrophobicContact CG2-CD2 3.88Å; L64-L75 HydrophobicContact CD1-CD1 4.13Å; L73-L75 HydrophobicContact CD1-CD1 4.26Å; L73-L75 HydrophobicContact CD1-CD2 4.12Å; L73-L75 HydrophobicContact CD1-CG 3.8Å; L73-L75 HydrophobicContact CD2-CD1 3.75Å; L73-L75 HydrophobicContact CD2-CG 4.19Å; L73-L75 HydrophobicContact CG-CD1 4Å; L73-L75 HydrophobicContact CG-CG 3.88Å; L75-N78 PolarHBondContact O-ND2 3.24Å; L75-L80 HydrophobicContact CB-CD1 3.89Å; L75-L80 HydrophobicContact CD1-CD1 3.98Å; L75-L80 HydrophobicContact CD2-CD1 4.4Å; L75-L80 HydrophobicContact CG-CD1 4.33Å; L75-I86 HydrophobicContact CD1-CD1 3.99Å; L75-D96 PolarHBondContact N-O 3.41Å; L75-I97 HydrophobicContact CB-CG2 4.18Å; L75-I97 HydrophobicContact CD1-CG2 4.26Å; L75-N100 PolarHBondContact O-ND2 2.89Å | ||
| 76 | S | 94.6 | Very high | 87.9 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 12% | 0.119 | 24% | 0.243 | C | C | . | . | trans | -63.3 | 154.6 | -174.7 | 64 | 0 | 0 | 0 | 0 | 112.9 | S54 S55 D74 N78 S98 | S54-S76 CarbonylContact C-O 3.29Å; S54-S76 WeakPolarHBondContact CA-O 3.39Å; S54-S76 WeakPolarHBondContact CB-O 3.4Å; S54-S76 VanDerWaalsContact CB-OG 3.31Å; S54-S76 WeakPolarHBondContact CB-OG 3.32Å; S55-S76 PolarHBondContact N-O 2.81Å; D74-S76 WeakPolarHBondContact OD1-CB 3.12Å; D74-S76 PolarHBondContact OD1-N 3.39Å; D74-S76 PolarHBondContact OD1-OG 2.96Å; S76-N78 PolarHBondContact O-N 2.9Å; S76-N78 PolarHBondContact O-ND2 2.9Å; S76-S98 CarbonylContact C-O 3.35Å; S76-S98 WeakPolarHBondContact CA-O 3.17Å; S76-S98 WeakPolarHBondContact CB-O 3.5Å; S76-S98 WeakPolarHBondContact CB-OG 3.16Å | ||
| 77 | N | 93.2 | Very high | 88.5 | Confident | 82 Ų | 82 | 42.1 Ų | 42.1 | 44% | 0.439 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 56.8 | 49.4 | 176.5 | -166.7 | 41 | 0 | 0 | 0 | 113.1 | S55 S98 K99 | S55-N77 VanDerWaalsContact CA-O 3.24Å; S55-N77 WeakPolarHBondContact CA-O 3.33Å; S55-N77 PolarHBondContact N-O 3.16Å; S55-N77 PolarHBondContact OG-ND2 3.42Å; N77-S98 PolarHBondContact N-O 3.29Å; N77-K99 VanDerWaalsContact CA-O 3.25Å; N77-K99 WeakPolarHBondContact CA-O 3.35Å; N77-K99 HydrophobicContact CB-CB 4.39Å; N77-K99 PolarHBondContact N-O 2.93Å |
| 78 | N | 90.8 | Very high | 88.9 | Confident | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -122.5 | -167.5 | 173.8 | -78 | -64 | 0 | 0 | 0 | 109.4 | L53 N56 K57 L58 L75 S76 L80 K99 N100 | L53-N78 PolarHBondContact O-ND2 3.26Å; N56-N78 VanDerWaalsContact C-OD1 3.3Å; N56-N78 WeakPolarHBondContact CA-OD1 3.47Å; N56-N78 PolarHBondContact N-OD1 3.27Å; K57-N78 PolarHBondContact N-OD1 3.09Å; L58-N78 HydrophobicContact CB-CB 3.96Å; L58-N78 WeakPolarHBondContact CG-OD1 3.46Å; L58-N78 PolarHBondContact N-OD1 3.04Å; L75-N78 PolarHBondContact O-ND2 3.24Å; S76-N78 PolarHBondContact O-N 2.9Å; S76-N78 PolarHBondContact O-ND2 2.9Å; N78-L80 HydrophobicContact CB-CG 4.16Å; N78-K99 PolarHBondContact N-O 3.02Å; N78-N100 VanDerWaalsContact CA-OD1 3.29Å; N78-N100 WeakPolarHBondContact CA-OD1 3.38Å; N78-N100 WeakPolarHBondContact CB-OD1 3.33Å; N78-N100 PolarHBondContact N-OD1 2.96Å; N78-N100 PolarHBondContact O-OD1 2.92Å |
| 79 | F | 90.3 | Very high | 89.4 | Confident | 109 Ų | 109 | 39.9 Ų | 39.9 | 48% | 0.478 | 21% | 0.212 | S | C | . | . | trans | -114 | 32.9 | 179 | -60.2 | -64.4 | 0 | 0 | 0 | 111.7 | K57 L58 R59 N100 | K57-F79 HydrophobicContact CB-CD2 3.78Å; K57-F79 HydrophobicContact CB-CE2 3.6Å; K57-F79 HydrophobicContact CD-CE2 4.28Å; K57-F79 HydrophobicContact CG-CD2 4.41Å; K57-F79 HydrophobicContact CG-CE2 3.73Å; L58-F79 CarbonylContact O-C 3.2Å; L58-F79 VanDerWaalsContact O-CA 3.27Å; L58-F79 WeakPolarHBondContact O-CA 3.47Å; L58-F79 PolarHBondContact O-N 2.58Å; R59-F79 HydrophobicContact CG-CB 3.81Å; F79-N100 PolarHBondContact N-OD1 3.03Å | ||
| 80 | L | 91.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -72.4 | 131.1 | -178.8 | -56.2 | 175.9 | 0 | 0 | 0 | 110.2 | L58 I61 L75 N78 I83 N100 N101 I102 | L58-L80 HydrophobicContact CB-CD2 3.98Å; L58-L80 PolarHBondContact O-N 2.79Å; I61-L80 HydrophobicContact CD1-CD1 4.48Å; I61-L80 HydrophobicContact CG2-CD1 3.98Å; I61-L80 HydrophobicContact CG2-CD2 3.73Å; L75-L80 HydrophobicContact CB-CD1 3.89Å; L75-L80 HydrophobicContact CD1-CD1 3.98Å; L75-L80 HydrophobicContact CD2-CD1 4.4Å; L75-L80 HydrophobicContact CG-CD1 4.33Å; N78-L80 HydrophobicContact CB-CG 4.16Å; L80-I83 HydrophobicContact CB-CG2 4.27Å; L80-I83 HydrophobicContact CD1-CG2 4.25Å; L80-N100 HydrophobicContact CB-CB 4.2Å; L80-N100 VanDerWaalsContact CB-OD1 3.31Å; L80-N100 WeakPolarHBondContact CB-OD1 3.4Å; L80-N100 WeakPolarHBondContact CG-OD1 3.37Å; L80-N100 PolarHBondContact N-OD1 3.03Å; L80-N100 WeakPolarHBondContact O-CB 3.49Å; L80-N101 CarbonylContact O-C 3.42Å; L80-N101 VanDerWaalsContact O-C 3.25Å; L80-N101 WeakPolarHBondContact O-CA 3.01Å; L80-N101 PolarHBondContact O-N 3.16Å; L80-I102 WeakPolarHBondContact O-CG1 3.29Å; L80-I102 PolarHBondContact O-N 3.33Å | ||
| 81 | N | 90.6 | Very high | 89.8 | Confident | 99 Ų | 99 | 43.9 Ų | 43.9 | 53% | 0.529 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -114.9 | -17.7 | 169.9 | 62.2 | -1.1 | 0 | 0 | 0 | 112.7 | N101 | N81-N101 WeakPolarHBondContact CA-O 3.29Å; N81-N101 WeakPolarHBondContact CB-O 3.29Å |
| 82 | N | 87.1 | Confident | 89.9 | Confident | 89 Ų | 89 | 39.8 Ų | 39.8 | 48% | 0.476 | 22% | 0.216 | S | C | . | . | trans | -130.8 | 129.5 | 177.7 | -175.8 | -8 | 0 | 0 | 0 | 109.3 | T84 | N82-T84 VanDerWaalsContact OD1-CG2 3.27Å; N82-T84 WeakPolarHBondContact OD1-CG2 2.88Å; N82-T84 PolarHBondContact OD1-N 3.17Å; N82-T84 PolarHBondContact OD1-OG1 3.11Å; N82-T84 VanDerWaalsContact OD1-OG1 3.05Å | ||
| 83 | I | 89 | Confident | 90.1 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | trans | -127.7 | 20.4 | -178.6 | 57.3 | 151.7 | 0 | 0 | 0 | 113.4 | I61 L80 S85 I86 I97 I102 L105 P106 | I61-I83 HydrophobicContact CD1-CB 4.2Å; I61-I83 HydrophobicContact CD1-CG2 4.07Å; L80-I83 HydrophobicContact CB-CG2 4.27Å; L80-I83 HydrophobicContact CD1-CG2 4.25Å; I83-S85 PolarHBondContact O-N 3.18Å; I83-I86 HydrophobicContact CB-CD1 3.71Å; I83-I86 HydrophobicContact CB-CG1 4.22Å; I83-I86 HydrophobicContact CD1-CD1 4.16Å; I83-I86 HydrophobicContact CG2-CD1 4.11Å; I83-I86 WeakPolarHBondContact O-CB 3.35Å; I83-I86 WeakPolarHBondContact O-CG1 3.27Å; I83-I86 PolarHBondContact O-N 2.8Å; I83-I86 VanDerWaalsContact O-N 3.07Å; I83-I97 HydrophobicContact CD1-CD1 3.44Å; I83-I97 VanDerWaalsContact CD1-CD1 3.44Å; I83-I102 HydrophobicContact CD1-CD1 4.18Å; I83-I102 HydrophobicContact CG1-CD1 4.26Å; I83-I102 HydrophobicContact CG1-CG2 4.41Å; I83-I102 HydrophobicContact CG2-CD1 3.6Å; I83-I102 HydrophobicContact CG2-CG1 4.2Å; I83-L105 HydrophobicContact CD1-CD2 4.12Å; I83-P106 HydrophobicContact CD1-CG 4.04Å; I83-P106 HydrophobicContact CG1-CG 4.06Å | ||
| 84 | T | 87 | Confident | 90.3 | Very high | 73 Ų | 73 | 41.9 Ų | 41.9 | 45% | 0.448 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -56.5 | -26.6 | -178.3 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | N82 I86 I87 P106 | N82-T84 VanDerWaalsContact OD1-CG2 3.27Å; N82-T84 WeakPolarHBondContact OD1-CG2 2.88Å; N82-T84 PolarHBondContact OD1-N 3.17Å; N82-T84 PolarHBondContact OD1-OG1 3.11Å; N82-T84 VanDerWaalsContact OD1-OG1 3.05Å; T84-I86 PolarHBondContact O-N 3.26Å; T84-I87 WeakPolarHBondContact O-CB 3.47Å; T84-I87 WeakPolarHBondContact O-CD1 3.15Å; T84-I87 VanDerWaalsContact O-CG1 3.29Å; T84-I87 WeakPolarHBondContact O-CG1 3.2Å; T84-I87 PolarHBondContact O-N 2.79Å; T84-P106 HydrophobicContact CG2-CB 4.42Å |
| 85 | S | 85.3 | Confident | 90.6 | Very high | 10 Ų | 10 | 40.3 Ų | 40.3 | 7% | 0.07 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -65.3 | -21.2 | 179.3 | -53.4 | 0 | 0 | 0 | 0 | 114.1 | T62 N65 I83 I87 S88 | T62-S85 WeakPolarHBondContact CA-OG 3.5Å; N65-S85 WeakPolarHBondContact OD1-CA 3.35Å; N65-S85 WeakPolarHBondContact OD1-CB 3.13Å; N65-S85 PolarHBondContact OD1-O 3.44Å; I83-S85 PolarHBondContact O-N 3.18Å; S85-I87 PolarHBondContact O-N 2.99Å; S85-S88 WeakPolarHBondContact O-CB 3.44Å; S85-S88 PolarHBondContact O-N 2.98Å; S85-S88 PolarHBondContact O-OG 3.31Å |
| 86 | I | 88.5 | Confident | 90.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -66 | -25.9 | 179.9 | -57.3 | 179.9 | 0 | 0 | 0 | 111.5 | I61 L75 I83 T84 S88 C89 L92 L95 I97 L111 | I61-I86 HydrophobicContact CD1-CD1 3.84Å; I61-I86 HydrophobicContact CD1-CG1 3.52Å; L75-I86 HydrophobicContact CD1-CD1 3.99Å; I83-I86 HydrophobicContact CB-CD1 3.71Å; I83-I86 HydrophobicContact CB-CG1 4.22Å; I83-I86 HydrophobicContact CD1-CD1 4.16Å; I83-I86 HydrophobicContact CG2-CD1 4.11Å; I83-I86 WeakPolarHBondContact O-CB 3.35Å; I83-I86 WeakPolarHBondContact O-CG1 3.27Å; I83-I86 PolarHBondContact O-N 2.8Å; I83-I86 VanDerWaalsContact O-N 3.07Å; T84-I86 PolarHBondContact O-N 3.26Å; I86-S88 PolarHBondContact O-N 3.46Å; I86-S88 VanDerWaalsContact O-N 3.07Å; I86-C89 WeakPolarHBondContact O-CB 3.41Å; I86-C89 PolarHBondContact O-N 3.24Å; I86-L92 HydrophobicContact CG2-CD2 3.75Å; I86-L95 HydrophobicContact CD1-CD1 4Å; I86-L95 HydrophobicContact CD1-CD2 3.92Å; I86-L95 HydrophobicContact CG2-CD1 4.44Å; I86-L95 HydrophobicContact CG2-CD2 3.85Å; I86-I97 HydrophobicContact CD1-CG2 3.97Å; I86-L111 HydrophobicContact CG2-CD1 4.1Å |
| 87 | I | 85.6 | Confident | 90.9 | Very high | 36 Ų | 36 | 41.3 Ų | 41.3 | 19% | 0.185 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -56.2 | -27.7 | 177 | -58.4 | 171.9 | 0 | 0 | 0 | 111.9 | T84 S85 C89 P106 R110 | T84-I87 WeakPolarHBondContact O-CB 3.47Å; T84-I87 WeakPolarHBondContact O-CD1 3.15Å; T84-I87 VanDerWaalsContact O-CG1 3.29Å; T84-I87 WeakPolarHBondContact O-CG1 3.2Å; T84-I87 PolarHBondContact O-N 2.79Å; S85-I87 PolarHBondContact O-N 2.99Å; I87-C89 VanDerWaalsContact C-N 3.32Å; I87-P106 HydrophobicContact CD1-CB 3.63Å; I87-P106 HydrophobicContact CG1-CB 3.94Å; I87-P106 HydrophobicContact CG1-CG 4.32Å; I87-R110 HydrophobicContact CG2-CB 3.81Å; I87-R110 HydrophobicContact CG2-CG 4.34Å |
| 88 | S | 85.7 | Confident | 91.1 | Very high | 41 Ų | 41 | 37.8 Ų | 37.8 | 29% | 0.287 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -71.8 | -24.3 | 178 | -56.6 | 0 | 0 | 0 | 0 | 113.1 | N65 S85 I86 K90 | N65-S88 PolarHBondContact OD1-OG 2.9Å; S85-S88 WeakPolarHBondContact O-CB 3.44Å; S85-S88 PolarHBondContact O-N 2.98Å; S85-S88 PolarHBondContact O-OG 3.31Å; I86-S88 PolarHBondContact O-N 3.46Å; I86-S88 VanDerWaalsContact O-N 3.07Å; S88-K90 PolarHBondContact O-N 2.92Å |
| 89 | C | 87.9 | Confident | 91.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -78.4 | 64.4 | 178.8 | -57.2 | 0 | 0 | 0 | 0 | 111 | L64 I86 I87 S91 L92 L111 | L64-C89 PolarHBondContact O-SG 3.27Å; I86-C89 WeakPolarHBondContact O-CB 3.41Å; I86-C89 PolarHBondContact O-N 3.24Å; I87-C89 VanDerWaalsContact C-N 3.32Å; C89-S91 PolarHBondContact O-N 2.95Å; C89-L92 HydrophobicContact CB-CB 4.37Å; C89-L92 VanDerWaalsContact O-CB 3.23Å; C89-L92 WeakPolarHBondContact O-CB 3.16Å; C89-L92 PolarHBondContact O-N 2.87Å; C89-L111 WeakPolarHBondContact O-CD2 3.23Å | ||
| 90 | K | 86.7 | Confident | 91.6 | Very high | 140 Ų | 140 | 38.6 Ų | 38.6 | 61% | 0.609 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -22.8 | -169.9 | -65.4 | 179.7 | -177.7 | 178.2 | 0 | 114.9 | S88 L92 | S88-K90 PolarHBondContact O-N 2.92Å; K90-L92 VanDerWaalsContact C-N 3.3Å |
| 91 | S | 90.2 | Very high | 91.8 | Very high | 41 Ų | 41 | 42.3 Ų | 42.3 | 29% | 0.287 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 4 | 179.2 | -52.7 | 0 | 0 | 0 | 0 | 113.9 | D68 L70 C89 I93 | D68-S91 VanDerWaalsContact O-CB 3.26Å; D68-S91 WeakPolarHBondContact O-CB 3.44Å; D68-S91 PolarHBondContact O-OG 3.28Å; L70-S91 CarbonylContact O-C 3.58Å; C89-S91 PolarHBondContact O-N 2.95Å; S91-I93 PolarHBondContact O-N 3.02Å |
| 92 | L | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -67.8 | 127.9 | -172 | -158.4 | 74.3 | 0 | 0 | 0 | 112.3 | L70 L73 I86 C89 K90 L95 L111 F113 L114 | L70-L92 HydrophobicContact CD2-CD1 4.37Å; L70-L92 HydrophobicContact CG-CD1 4.29Å; L70-L92 VanDerWaalsContact O-CA 3.25Å; L70-L92 WeakPolarHBondContact O-CA 3.36Å; L70-L92 PolarHBondContact O-N 2.91Å; L70-L92 VanDerWaalsContact O-N 3.13Å; L73-L92 HydrophobicContact CB-CD1 3.69Å; I86-L92 HydrophobicContact CG2-CD2 3.75Å; C89-L92 HydrophobicContact CB-CB 4.37Å; C89-L92 VanDerWaalsContact O-CB 3.23Å; C89-L92 WeakPolarHBondContact O-CB 3.16Å; C89-L92 PolarHBondContact O-N 2.87Å; K90-L92 VanDerWaalsContact C-N 3.3Å; L92-L95 HydrophobicContact CD2-CB 3.74Å; L92-L95 HydrophobicContact CD2-CD1 4.04Å; L92-L95 HydrophobicContact CD2-CD2 4.07Å; L92-L95 HydrophobicContact CD2-CG 4.16Å; L92-L111 HydrophobicContact CD2-CD1 4.18Å; L92-F113 CarbonylContact O-C 3.44Å; L92-L114 HydrophobicContact CD2-CD1 4.17Å; L92-L114 HydrophobicContact CG-CD1 4.32Å; L92-L114 VanDerWaalsContact O-CA 3.28Å; L92-L114 WeakPolarHBondContact O-CA 3.25Å; L92-L114 PolarHBondContact O-N 3.06Å; L92-L114 VanDerWaalsContact O-N 3.09Å | ||
| 93 | I | 96 | Very high | 92 | Very high | 62 Ų | 62 | 38.1 Ų | 38.1 | 32% | 0.318 | 20% | 0.201 | S | C | . | . | trans | -107.5 | -38.4 | 178.8 | -58.7 | 175.6 | 0 | 0 | 0 | 110.7 | E71 S91 F113 E115 K116 | E71-I93 HydrophobicContact CB-CD1 4.15Å; E71-I93 HydrophobicContact CB-CG1 4.32Å; E71-I93 HydrophobicContact CG-CD1 4.2Å; E71-I93 WeakPolarHBondContact O-CA 3.26Å; E71-I93 PolarHBondContact O-N 2.79Å; S91-I93 PolarHBondContact O-N 3.02Å; I93-F113 WeakPolarHBondContact CA-O 3.32Å; I93-F113 HydrophobicContact CG1-CB 4.26Å; I93-E115 HydrophobicContact CG2-CB 4.17Å; I93-E115 HydrophobicContact CG2-CG 4.23Å; I93-E115 PolarHBondContact O-N 3.31Å; I93-K116 PolarHBondContact O-N 3.13Å | ||
| 94 | S | 97.2 | Very high | 91.7 | Very high | 38 Ų | 38 | 43.4 Ų | 43.4 | 27% | 0.266 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 126.4 | -177.7 | -172.4 | 0 | 0 | 0 | 0 | 111.3 | E71 C72 L73 K116 | E71-S94 PolarHBondContact O-N 3.03Å; C72-S94 WeakPolarHBondContact CA-O 3.49Å; L73-S94 PolarHBondContact N-O 3.26Å; S94-K116 WeakPolarHBondContact CA-O 3.26Å |
| 95 | L | 97.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 124.1 | 178.3 | -178 | 57.4 | 0 | 0 | 0 | 111.5 | L73 I86 L92 I97 L114 K116 L117 N118 | L73-L95 HydrophobicContact CB-CD1 3.96Å; L73-L95 HydrophobicContact CD2-CD1 3.86Å; L73-L95 HydrophobicContact CG-CD1 3.91Å; L73-L95 WeakPolarHBondContact O-CA 3.37Å; I86-L95 HydrophobicContact CD1-CD1 4Å; I86-L95 HydrophobicContact CD1-CD2 3.92Å; I86-L95 HydrophobicContact CG2-CD1 4.44Å; I86-L95 HydrophobicContact CG2-CD2 3.85Å; L92-L95 HydrophobicContact CD2-CB 3.74Å; L92-L95 HydrophobicContact CD2-CD1 4.04Å; L92-L95 HydrophobicContact CD2-CD2 4.07Å; L92-L95 HydrophobicContact CD2-CG 4.16Å; L95-I97 HydrophobicContact CD1-CG2 3.72Å; L95-I97 HydrophobicContact CD2-CD1 4.44Å; L95-I97 HydrophobicContact CD2-CG2 4.19Å; L95-I97 HydrophobicContact CG-CG2 3.91Å; L95-L114 HydrophobicContact CB-CD1 3.99Å; L95-K116 PolarHBondContact N-O 3.09Å; L95-L117 HydrophobicContact CB-CD1 3.87Å; L95-L117 HydrophobicContact CD2-CD1 3.77Å; L95-L117 HydrophobicContact CG-CD1 3.93Å; L95-L117 WeakPolarHBondContact O-CA 3.42Å; L95-N118 PolarHBondContact O-N 3.42Å |
| 96 | D | 97.5 | Very high | 91.5 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 20% | 0.203 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 116.8 | 166.1 | -160.1 | -33.4 | 0 | 0 | 0 | 110 | L73 D74 L75 S98 N118 | L73-D96 PolarHBondContact O-N 3.45Å; D74-D96 HydrophobicContact CB-CB 4.44Å; L75-D96 PolarHBondContact N-O 3.41Å; D96-S98 WeakPolarHBondContact OD1-CB 3.31Å; D96-S98 PolarHBondContact OD1-N 2.79Å; D96-S98 PolarHBondContact OD1-OG 3.43Å; D96-N118 HydrophobicContact CB-CB 4.35Å; D96-N118 PolarHBondContact OD1-ND2 2.95Å; D96-N118 PolarHBondContact OD2-ND2 2.8Å |
| 97 | I | 96.5 | Very high | 91 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -124.4 | 19.7 | 175.2 | 52.2 | 175.4 | 0 | 0 | 0 | 110.5 | L75 I83 I86 L95 N100 I102 L105 L117 N118 V119 N122 | L75-I97 HydrophobicContact CB-CG2 4.18Å; L75-I97 HydrophobicContact CD1-CG2 4.26Å; I83-I97 HydrophobicContact CD1-CD1 3.44Å; I83-I97 VanDerWaalsContact CD1-CD1 3.44Å; I86-I97 HydrophobicContact CD1-CG2 3.97Å; L95-I97 HydrophobicContact CD1-CG2 3.72Å; L95-I97 HydrophobicContact CD2-CD1 4.44Å; L95-I97 HydrophobicContact CD2-CG2 4.19Å; L95-I97 HydrophobicContact CG-CG2 3.91Å; I97-N100 PolarHBondContact O-ND2 2.86Å; I97-I102 HydrophobicContact CB-CD1 3.92Å; I97-I102 HydrophobicContact CD1-CD1 3.82Å; I97-I102 HydrophobicContact CG1-CD1 4.21Å; I97-L105 HydrophobicContact CD1-CD2 3.97Å; I97-L117 HydrophobicContact CD1-CD1 4.4Å; I97-L117 HydrophobicContact CG1-CD1 4.47Å; I97-N118 WeakPolarHBondContact CG1-O 3.37Å; I97-N118 PolarHBondContact N-O 2.66Å; I97-V119 HydrophobicContact CD1-CB 4.41Å; I97-V119 HydrophobicContact CD1-CG1 3.65Å; I97-V119 HydrophobicContact CG1-CB 4.29Å; I97-V119 HydrophobicContact CG1-CG1 3.77Å; I97-N122 PolarHBondContact O-ND2 3.36Å | ||
| 98 | S | 97.7 | Very high | 91.1 | Very high | 8 Ų | 8 | 41 Ų | 41 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | trans | -62.8 | 156.3 | -178.2 | 62.1 | 0 | 0 | 0 | 0 | 112.8 | S76 N77 D96 N100 N118 S120 | S76-S98 CarbonylContact C-O 3.35Å; S76-S98 WeakPolarHBondContact CA-O 3.17Å; S76-S98 WeakPolarHBondContact CB-O 3.5Å; S76-S98 WeakPolarHBondContact CB-OG 3.16Å; N77-S98 PolarHBondContact N-O 3.29Å; D96-S98 WeakPolarHBondContact OD1-CB 3.31Å; D96-S98 PolarHBondContact OD1-N 2.79Å; D96-S98 PolarHBondContact OD1-OG 3.43Å; S98-N100 PolarHBondContact O-N 2.98Å; S98-N100 PolarHBondContact O-ND2 3.27Å; S98-N118 PolarHBondContact N-O 2.99Å; S98-S120 CarbonylContact C-O 3.43Å; S98-S120 WeakPolarHBondContact CA-O 3.14Å; S98-S120 VanDerWaalsContact CB-O 3.25Å; S98-S120 WeakPolarHBondContact CB-O 3.24Å; S98-S120 WeakPolarHBondContact CB-OG 3.5Å | ||
| 99 | K | 96.2 | Very high | 90.7 | Very high | 117 Ų | 117 | 41.2 Ų | 41.2 | 51% | 0.509 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 53.9 | 50.4 | 178.6 | -56.6 | 174 | -178.6 | 174.9 | 0 | 112.3 | N77 N78 S120 H121 | N77-K99 VanDerWaalsContact CA-O 3.25Å; N77-K99 WeakPolarHBondContact CA-O 3.35Å; N77-K99 HydrophobicContact CB-CB 4.39Å; N77-K99 PolarHBondContact N-O 2.93Å; N78-K99 PolarHBondContact N-O 3.02Å; K99-S120 PolarHBondContact N-O 3.38Å; K99-H121 HydrophobicContact CB-CB 4.46Å; K99-H121 HydrophobicContact CG-CB 3.86Å |
| 100 | N | 95.7 | Very high | 90.6 | Very high | 14 Ų | 14 | 47.7 Ų | 47.7 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -118.7 | -165.1 | 169.9 | -83.2 | -76.8 | 0 | 0 | 0 | 108.4 | L75 N78 F79 L80 I97 S98 I102 N122 | L75-N100 PolarHBondContact O-ND2 2.89Å; N78-N100 VanDerWaalsContact CA-OD1 3.29Å; N78-N100 WeakPolarHBondContact CA-OD1 3.38Å; N78-N100 WeakPolarHBondContact CB-OD1 3.33Å; N78-N100 PolarHBondContact N-OD1 2.96Å; N78-N100 PolarHBondContact O-OD1 2.92Å; F79-N100 PolarHBondContact N-OD1 3.03Å; L80-N100 HydrophobicContact CB-CB 4.2Å; L80-N100 VanDerWaalsContact CB-OD1 3.31Å; L80-N100 WeakPolarHBondContact CB-OD1 3.4Å; L80-N100 WeakPolarHBondContact CG-OD1 3.37Å; L80-N100 PolarHBondContact N-OD1 3.03Å; L80-N100 WeakPolarHBondContact O-CB 3.49Å; I97-N100 PolarHBondContact O-ND2 2.86Å; S98-N100 PolarHBondContact O-N 2.98Å; S98-N100 PolarHBondContact O-ND2 3.27Å; N100-I102 HydrophobicContact CB-CD1 4.04Å; N100-I102 HydrophobicContact CB-CG1 3.97Å; N100-N122 VanDerWaalsContact CA-OD1 3.26Å; N100-N122 WeakPolarHBondContact CA-OD1 3.25Å; N100-N122 WeakPolarHBondContact CB-OD1 3.24Å; N100-N122 PolarHBondContact N-OD1 3.04Å; N100-N122 PolarHBondContact O-OD1 3.13Å; N100-N122 VanDerWaalsContact O-OD1 3.12Å |
| 101 | N | 94.9 | Very high | 90.7 | Very high | 79 Ų | 79 | 41.3 Ų | 41.3 | 42% | 0.422 | 20% | 0.204 | S | C | . | . | trans | -118 | 43.6 | 176.5 | -166.2 | 42.2 | 0 | 0 | 0 | 111.6 | L80 N81 N122 | L80-N101 CarbonylContact O-C 3.42Å; L80-N101 VanDerWaalsContact O-C 3.25Å; L80-N101 WeakPolarHBondContact O-CA 3.01Å; L80-N101 PolarHBondContact O-N 3.16Å; N81-N101 WeakPolarHBondContact CA-O 3.29Å; N81-N101 WeakPolarHBondContact CB-O 3.29Å; N101-N122 PolarHBondContact N-OD1 3.2Å | ||
| 102 | I | 94.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -82.9 | 128.6 | -175.6 | -56.7 | 169 | 0 | 0 | 0 | 109.7 | L80 I83 I97 N100 E104 L105 N122 P123 L124 | L80-I102 WeakPolarHBondContact O-CG1 3.29Å; L80-I102 PolarHBondContact O-N 3.33Å; I83-I102 HydrophobicContact CD1-CD1 4.18Å; I83-I102 HydrophobicContact CG1-CD1 4.26Å; I83-I102 HydrophobicContact CG1-CG2 4.41Å; I83-I102 HydrophobicContact CG2-CD1 3.6Å; I83-I102 HydrophobicContact CG2-CG1 4.2Å; I97-I102 HydrophobicContact CB-CD1 3.92Å; I97-I102 HydrophobicContact CD1-CD1 3.82Å; I97-I102 HydrophobicContact CG1-CD1 4.21Å; N100-I102 HydrophobicContact CB-CD1 4.04Å; N100-I102 HydrophobicContact CB-CG1 3.97Å; I102-E104 WeakPolarHBondContact CG2-O 3.47Å; I102-L105 HydrophobicContact CG2-CD2 4.25Å; I102-N122 HydrophobicContact CB-CB 4.13Å; I102-N122 WeakPolarHBondContact CB-OD1 3.45Å; I102-N122 WeakPolarHBondContact CG1-OD1 3.42Å; I102-N122 PolarHBondContact N-OD1 2.99Å; I102-P123 CarbonylContact O-C 3.6Å; I102-P123 WeakPolarHBondContact O-CD 3.25Å; I102-L124 HydrophobicContact CG2-CD2 4.09Å | ||
| 103 | H | 88.2 | Confident | 90.3 | Very high | 100 Ų | 100 | 48 Ų | 48 | 46% | 0.463 | 24% | 0.235 | S | C | . | . | trans | -101.6 | -26.2 | 178.9 | -70.4 | -68 | 0 | 0 | 0 | 113.9 | P123 L124 G125 | H103-P123 WeakPolarHBondContact CA-O 3.1Å; H103-P123 WeakPolarHBondContact CE1-CG 3.44Å; H103-P123 PolarHBondContact ND1-O 3.07Å; H103-L124 CarbonylContact O-C 3.16Å; H103-L124 WeakPolarHBondContact O-CA 3.1Å; H103-G125 PolarHBondContact O-N 3.1Å | ||
| 104 | E | 82.6 | Confident | 90.3 | Very high | 113 Ų | 113 | 45.2 Ų | 45.2 | 53% | 0.528 | 22% | 0.22 | S | C | . | . | B | Isolated β-bridge | trans | -144.2 | 139.2 | -177.5 | -178.5 | 164.3 | -140.8 | 0 | 0 | 109.5 | I102 N126 | I102-E104 WeakPolarHBondContact CG2-O 3.47Å; E104-N126 HydrophobicContact CG-CB 4.39Å; E104-N126 PolarHBondContact OE1-ND2 3.38Å |
| 105 | L | 85.2 | Confident | 90.3 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | trans | -90.2 | 135.1 | 175.7 | -62.2 | 176.9 | 0 | 0 | 0 | 109.5 | I83 I97 I102 V119 L124 L130 | I83-L105 HydrophobicContact CD1-CD2 4.12Å; I97-L105 HydrophobicContact CD1-CD2 3.97Å; I102-L105 HydrophobicContact CG2-CD2 4.25Å; L105-V119 HydrophobicContact CD1-CG1 4.25Å; L105-V119 HydrophobicContact CD2-CG1 4.07Å; L105-L124 HydrophobicContact CD1-CD1 4.26Å; L105-L124 HydrophobicContact CD2-CD2 4.03Å; L105-L124 HydrophobicContact CG-CD1 4.46Å; L105-L124 HydrophobicContact CG-CD2 3.93Å; L105-L130 HydrophobicContact CD1-CD1 4.11Å; L105-L130 HydrophobicContact CD1-CD2 3.74Å; L105-L130 HydrophobicContact CD1-CG 3.77Å | ||
| 106 | P | 83.9 | Confident | 90.3 | Very high | 17 Ų | 17 | 51.5 Ų | 51.5 | 11% | 0.11 | 24% | 0.243 | C | C | . | . | trans | -64 | 172.4 | 169.8 | 26.2 | -31 | 0 | 0 | 0 | 111 | I83 T84 I87 L108 G129 | I83-P106 HydrophobicContact CD1-CG 4.04Å; I83-P106 HydrophobicContact CG1-CG 4.06Å; T84-P106 HydrophobicContact CG2-CB 4.42Å; I87-P106 HydrophobicContact CD1-CB 3.63Å; I87-P106 HydrophobicContact CG1-CB 3.94Å; I87-P106 HydrophobicContact CG1-CG 4.32Å; P106-L108 VanDerWaalsContact C-N 3.31Å; P106-L108 HydrophobicContact CG-CD2 3.9Å; P106-L108 WeakPolarHBondContact O-CG 3.34Å; P106-L108 PolarHBondContact O-N 2.93Å; P106-G129 CarbonylContact O-C 3.47Å; P106-G129 VanDerWaalsContact O-CA 3.3Å; P106-G129 WeakPolarHBondContact O-CA 3.46Å | ||
| 107 | E | 78 | Confident | 90.4 | Very high | 47 Ų | 47 | 49.7 Ų | 49.7 | 22% | 0.22 | 23% | 0.234 | C | C | . | . | trans | -63.3 | 84.9 | 173.6 | -68.1 | 174.4 | -155.7 | 0 | 0 | 111.5 | N109 R110 A163 | E107-N109 PolarHBondContact O-N 3.32Å; E107-N109 PolarHBondContact O-OD1 3.34Å; E107-R110 HydrophobicContact CB-CG 4.24Å; E107-R110 WeakPolarHBondContact O-CB 3.37Å; E107-R110 WeakPolarHBondContact O-CG 3.38Å; E107-R110 PolarHBondContact O-N 2.78Å; E107-R110 IonicContact OE1-NH2 3.73Å; E107-R110 IonicContact OE2-CZ 3.11Å; E107-R110 IonicContact OE2-NE 3.52Å; E107-R110 PolarHBondContact OE2-NE 3.03Å; E107-R110 IonicContact OE2-NH2 2.71Å; E107-R110 PolarHBondContact OE2-NH2 3.36Å; E107-A163 HydrophobicContact CG-CB 4.44Å | ||
| 108 | L | 86.8 | Confident | 90.5 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -74.8 | -12.6 | -177 | -65.1 | -173.7 | 0 | 0 | 0 | 112.6 | P106 R110 L111 L114 L117 G129 L130 C133 | P106-L108 VanDerWaalsContact C-N 3.31Å; P106-L108 HydrophobicContact CG-CD2 3.9Å; P106-L108 WeakPolarHBondContact O-CG 3.34Å; P106-L108 PolarHBondContact O-N 2.93Å; L108-R110 PolarHBondContact O-N 3.45Å; L108-L111 HydrophobicContact CD2-CD1 3.87Å; L108-L111 WeakPolarHBondContact O-CB 3.37Å; L108-L111 PolarHBondContact O-N 2.84Å; L108-L114 HydrophobicContact CB-CD2 4.4Å; L108-L114 HydrophobicContact CD1-CD2 4.38Å; L108-L117 HydrophobicContact CD1-CD1 4.27Å; L108-L117 HydrophobicContact CD1-CD2 3.49Å; L108-L117 VanDerWaalsContact CD1-CD2 3.49Å; L108-G129 PolarHBondContact N-O 2.9Å; L108-L130 HydrophobicContact CD1-CD2 3.95Å; L108-C133 VanDerWaalsContact C-SG 3.57Å |
| 109 | N | 78 | Confident | 90.5 | Very high | 45 Ų | 45 | 50.5 Ų | 50.5 | 24% | 0.241 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -61 | -19 | 169.2 | 64.5 | -6.3 | 0 | 0 | 0 | 113.2 | E107 L111 W131 A163 | E107-N109 PolarHBondContact O-N 3.32Å; E107-N109 PolarHBondContact O-OD1 3.34Å; N109-L111 PolarHBondContact O-N 2.78Å; N109-W131 WeakPolarHBondContact CB-O 3.24Å; N109-W131 PolarHBondContact ND2-O 3.13Å; N109-A163 PolarHBondContact ND2-O 3.04Å |
| 110 | R | 84.7 | Confident | 90.5 | Very high | 135 Ų | 135 | 45.4 Ų | 45.4 | 51% | 0.509 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -71.4 | -7.4 | 170.9 | -62.4 | -178.3 | -178.5 | -157.9 | 3.5 | 113.5 | I87 E107 L108 P112 | I87-R110 HydrophobicContact CG2-CB 3.81Å; I87-R110 HydrophobicContact CG2-CG 4.34Å; E107-R110 HydrophobicContact CB-CG 4.24Å; E107-R110 WeakPolarHBondContact O-CB 3.37Å; E107-R110 WeakPolarHBondContact O-CG 3.38Å; E107-R110 PolarHBondContact O-N 2.78Å; E107-R110 IonicContact OE1-NH2 3.73Å; E107-R110 IonicContact OE2-CZ 3.11Å; E107-R110 IonicContact OE2-NE 3.52Å; E107-R110 PolarHBondContact OE2-NE 3.03Å; E107-R110 IonicContact OE2-NH2 2.71Å; E107-R110 PolarHBondContact OE2-NH2 3.36Å; L108-R110 PolarHBondContact O-N 3.45Å; R110-P112 WeakPolarHBondContact O-CD 3.32Å |
| 111 | L | 89.1 | Confident | 90.6 | Very high | 6 Ų | 6 | 48.8 Ų | 48.8 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | trans | -100 | 84.6 | 172.1 | -57.2 | 178.2 | 0 | 0 | 0 | 108.6 | I86 C89 L92 L108 N109 F113 L114 | I86-L111 HydrophobicContact CG2-CD1 4.1Å; C89-L111 WeakPolarHBondContact O-CD2 3.23Å; L92-L111 HydrophobicContact CD2-CD1 4.18Å; L108-L111 HydrophobicContact CD2-CD1 3.87Å; L108-L111 WeakPolarHBondContact O-CB 3.37Å; L108-L111 PolarHBondContact O-N 2.84Å; N109-L111 PolarHBondContact O-N 2.78Å; L111-F113 PolarHBondContact O-N 3.18Å; L111-F113 VanDerWaalsContact O-N 3.09Å; L111-L114 HydrophobicContact CB-CB 3.98Å; L111-L114 HydrophobicContact CD1-CD2 4.3Å; L111-L114 PolarHBondContact O-N 2.79Å | ||
| 112 | P | 84.9 | Confident | 90.6 | Very high | 64 Ų | 64 | 45.1 Ų | 45.1 | 42% | 0.416 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.5 | -168 | 25.9 | -36.2 | 0 | 0 | 0 | 113.3 | R110 N135 | R110-P112 WeakPolarHBondContact O-CD 3.32Å; P112-N135 PolarHBondContact O-ND2 3.17Å |
| 113 | F | 91.7 | Very high | 90.5 | Very high | 119 Ų | 119 | 46.7 Ų | 46.7 | 52% | 0.522 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 2.2 | -176.8 | -58.1 | -68.2 | 0 | 0 | 0 | 114.3 | L92 I93 L111 E115 | L92-F113 CarbonylContact O-C 3.44Å; I93-F113 WeakPolarHBondContact CA-O 3.32Å; I93-F113 HydrophobicContact CG1-CB 4.26Å; L111-F113 PolarHBondContact O-N 3.18Å; L111-F113 VanDerWaalsContact O-N 3.09Å; F113-E115 PolarHBondContact O-N 2.8Å; F113-E115 VanDerWaalsContact O-N 3.09Å |
| 114 | L | 95.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | trans | -66.6 | 112.7 | -174.9 | -171.2 | 70.4 | 0 | 0 | 0 | 110.9 | L92 L95 L108 L111 L117 N135 L136 | L92-L114 HydrophobicContact CD2-CD1 4.17Å; L92-L114 HydrophobicContact CG-CD1 4.32Å; L92-L114 VanDerWaalsContact O-CA 3.28Å; L92-L114 WeakPolarHBondContact O-CA 3.25Å; L92-L114 PolarHBondContact O-N 3.06Å; L92-L114 VanDerWaalsContact O-N 3.09Å; L95-L114 HydrophobicContact CB-CD1 3.99Å; L108-L114 HydrophobicContact CB-CD2 4.4Å; L108-L114 HydrophobicContact CD1-CD2 4.38Å; L111-L114 HydrophobicContact CB-CB 3.98Å; L111-L114 HydrophobicContact CD1-CD2 4.3Å; L111-L114 PolarHBondContact O-N 2.79Å; L114-L117 HydrophobicContact CD2-CB 4.45Å; L114-N135 CarbonylContact O-C 3.45Å; L114-N135 VanDerWaalsContact O-C 3.28Å; L114-L136 HydrophobicContact CD2-CD1 4.17Å; L114-L136 HydrophobicContact CG-CD1 4Å; L114-L136 WeakPolarHBondContact O-CA 3.45Å; L114-L136 PolarHBondContact O-N 3.46Å | ||
| 115 | E | 97.6 | Very high | 90 | Very high | 59 Ų | 59 | 38.8 Ų | 38.8 | 28% | 0.276 | 20% | 0.197 | S | C | . | . | trans | -105 | -30.6 | 179.3 | -67.8 | -155.9 | -178.3 | 0 | 0 | 113 | I93 F113 R137 Y138 | I93-E115 HydrophobicContact CG2-CB 4.17Å; I93-E115 HydrophobicContact CG2-CG 4.23Å; I93-E115 PolarHBondContact O-N 3.31Å; F113-E115 PolarHBondContact O-N 2.8Å; F113-E115 VanDerWaalsContact O-N 3.09Å; E115-R137 PolarHBondContact O-N 3.25Å; E115-R137 IonicContact OE1-CZ 3.9Å; E115-R137 IonicContact OE1-NH1 2.62Å; E115-R137 PolarHBondContact OE1-NH1 2.8Å; E115-R137 IonicContact OE2-CZ 2.76Å; E115-R137 IonicContact OE2-NE 3.12Å; E115-R137 IonicContact OE2-NH1 2.93Å; E115-R137 PolarHBondContact OE2-NH1 3.19Å; E115-Y138 PolarHBondContact O-N 2.95Å | ||
| 116 | K | 98.4 | Very high | 89.3 | Confident | 113 Ų | 113 | 40 Ų | 40 | 49% | 0.491 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 127.8 | -176.6 | -55.8 | -174.7 | 179.8 | 173 | 0 | 111.6 | I93 S94 L95 Y138 | I93-K116 PolarHBondContact O-N 3.13Å; S94-K116 WeakPolarHBondContact CA-O 3.26Å; L95-K116 PolarHBondContact N-O 3.09Å; K116-Y138 HydrophobicContact CB-CD1 4.29Å |
| 117 | L | 98.3 | Very high | 89 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 124.9 | 178 | 179.9 | 63.5 | 0 | 0 | 0 | 110.7 | L95 I97 L108 L114 V119 L130 L136 Y138 L139 D140 | L95-L117 HydrophobicContact CB-CD1 3.87Å; L95-L117 HydrophobicContact CD2-CD1 3.77Å; L95-L117 HydrophobicContact CG-CD1 3.93Å; L95-L117 WeakPolarHBondContact O-CA 3.42Å; I97-L117 HydrophobicContact CD1-CD1 4.4Å; I97-L117 HydrophobicContact CG1-CD1 4.47Å; L108-L117 HydrophobicContact CD1-CD1 4.27Å; L108-L117 HydrophobicContact CD1-CD2 3.49Å; L108-L117 VanDerWaalsContact CD1-CD2 3.49Å; L114-L117 HydrophobicContact CD2-CB 4.45Å; L117-V119 HydrophobicContact CD1-CG1 3.74Å; L117-V119 HydrophobicContact CD2-CG1 3.85Å; L117-V119 HydrophobicContact CG-CG1 3.62Å; L117-L130 HydrophobicContact CD2-CD2 3.42Å; L117-L130 VanDerWaalsContact CD2-CD2 3.42Å; L117-L136 HydrophobicContact CB-CD1 3.71Å; L117-L136 HydrophobicContact CB-CD2 4.46Å; L117-Y138 PolarHBondContact N-O 3Å; L117-L139 HydrophobicContact CB-CD1 4.19Å; L117-L139 HydrophobicContact CD2-CD1 3.95Å; L117-L139 HydrophobicContact CG-CD1 4.13Å; L117-L139 WeakPolarHBondContact O-CA 3.49Å; L117-D140 PolarHBondContact O-N 3.33Å |
| 118 | N | 98.4 | Very high | 88.8 | Confident | 25 Ų | 25 | 37.7 Ų | 37.7 | 13% | 0.134 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 114.6 | 169.7 | -177.7 | 6.5 | 0 | 0 | 0 | 109.3 | L95 D96 I97 S98 S120 D140 | L95-N118 PolarHBondContact O-N 3.42Å; D96-N118 HydrophobicContact CB-CB 4.35Å; D96-N118 PolarHBondContact OD1-ND2 2.95Å; D96-N118 PolarHBondContact OD2-ND2 2.8Å; I97-N118 WeakPolarHBondContact CG1-O 3.37Å; I97-N118 PolarHBondContact N-O 2.66Å; S98-N118 PolarHBondContact N-O 2.99Å; N118-S120 WeakPolarHBondContact OD1-CB 3.37Å; N118-S120 PolarHBondContact OD1-N 3.4Å; N118-S120 VanDerWaalsContact OD1-N 3.09Å; N118-S120 PolarHBondContact OD1-OG 3.43Å; N118-D140 HydrophobicContact CB-CB 4.49Å |
| 119 | V | 97.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -117.4 | 10.2 | 176.9 | -52 | 0 | 0 | 0 | 0 | 112.3 | I97 L105 L117 N122 L124 D140 M141 C144 | I97-V119 HydrophobicContact CD1-CB 4.41Å; I97-V119 HydrophobicContact CD1-CG1 3.65Å; I97-V119 HydrophobicContact CG1-CB 4.29Å; I97-V119 HydrophobicContact CG1-CG1 3.77Å; L105-V119 HydrophobicContact CD1-CG1 4.25Å; L105-V119 HydrophobicContact CD2-CG1 4.07Å; L117-V119 HydrophobicContact CD1-CG1 3.74Å; L117-V119 HydrophobicContact CD2-CG1 3.85Å; L117-V119 HydrophobicContact CG-CG1 3.62Å; V119-N122 WeakPolarHBondContact O-CB 3.46Å; V119-N122 PolarHBondContact O-N 3.39Å; V119-N122 PolarHBondContact O-ND2 3.35Å; V119-L124 HydrophobicContact CB-CD1 4.25Å; V119-L124 HydrophobicContact CG2-CD1 3.67Å; V119-D140 WeakPolarHBondContact CG2-O 3.42Å; V119-D140 PolarHBondContact N-O 3.12Å; V119-M141 HydrophobicContact CG2-CB 4.21Å; V119-M141 HydrophobicContact CG2-CG 3.55Å; V119-C144 PolarHBondContact O-SG 3.07Å | ||
| 120 | S | 97.9 | Very high | 88.4 | Confident | 10 Ų | 10 | 35.9 Ų | 35.9 | 7% | 0.07 | 19% | 0.185 | C | C | . | . | trans | -52 | 149.4 | -175.3 | 59 | 0 | 0 | 0 | 0 | 113.2 | S98 K99 N118 N122 D140 T142 | S98-S120 CarbonylContact C-O 3.43Å; S98-S120 WeakPolarHBondContact CA-O 3.14Å; S98-S120 VanDerWaalsContact CB-O 3.25Å; S98-S120 WeakPolarHBondContact CB-O 3.24Å; S98-S120 WeakPolarHBondContact CB-OG 3.5Å; K99-S120 PolarHBondContact N-O 3.38Å; N118-S120 WeakPolarHBondContact OD1-CB 3.37Å; N118-S120 PolarHBondContact OD1-N 3.4Å; N118-S120 VanDerWaalsContact OD1-N 3.09Å; N118-S120 PolarHBondContact OD1-OG 3.43Å; S120-N122 VanDerWaalsContact C-N 3.3Å; S120-N122 PolarHBondContact O-N 2.93Å; S120-N122 PolarHBondContact O-ND2 3.4Å; S120-D140 PolarHBondContact N-O 2.9Å; S120-T142 CarbonylContact C-O 3.49Å; S120-T142 VanDerWaalsContact CA-O 3.28Å; S120-T142 WeakPolarHBondContact CA-O 3.13Å; S120-T142 WeakPolarHBondContact CB-O 3.43Å | ||
| 121 | H | 96.8 | Very high | 88 | Confident | 86 Ų | 86 | 30.2 Ų | 30.2 | 40% | 0.398 | 16% | 0.163 | S | C | . | . | S | Bend | trans | 56.7 | 39.8 | -178.7 | -55.3 | -82.3 | 0 | 0 | 0 | 113.9 | K99 T142 | K99-H121 HydrophobicContact CB-CB 4.46Å; K99-H121 HydrophobicContact CG-CB 3.86Å; H121-T142 PolarHBondContact N-O 2.78Å |
| 122 | N | 95.8 | Very high | 87.2 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | trans | -118.1 | 136.8 | 166 | -77.8 | -77.8 | 0 | 0 | 0 | 109.7 | I97 N100 N101 I102 V119 S120 L124 C144 | I97-N122 PolarHBondContact O-ND2 3.36Å; N100-N122 VanDerWaalsContact CA-OD1 3.26Å; N100-N122 WeakPolarHBondContact CA-OD1 3.25Å; N100-N122 WeakPolarHBondContact CB-OD1 3.24Å; N100-N122 PolarHBondContact N-OD1 3.04Å; N100-N122 PolarHBondContact O-OD1 3.13Å; N100-N122 VanDerWaalsContact O-OD1 3.12Å; N101-N122 PolarHBondContact N-OD1 3.2Å; I102-N122 HydrophobicContact CB-CB 4.13Å; I102-N122 WeakPolarHBondContact CB-OD1 3.45Å; I102-N122 WeakPolarHBondContact CG1-OD1 3.42Å; I102-N122 PolarHBondContact N-OD1 2.99Å; V119-N122 WeakPolarHBondContact O-CB 3.46Å; V119-N122 PolarHBondContact O-N 3.39Å; V119-N122 PolarHBondContact O-ND2 3.35Å; S120-N122 VanDerWaalsContact C-N 3.3Å; S120-N122 PolarHBondContact O-N 2.93Å; S120-N122 PolarHBondContact O-ND2 3.4Å; N122-L124 HydrophobicContact CB-CD2 4.37Å; N122-L124 HydrophobicContact CB-CG 4.17Å; N122-L124 PolarHBondContact O-N 3.02Å; N122-C144 CarbonylContact O-C 3.33Å; N122-C144 WeakPolarHBondContact O-CA 3.48Å; N122-C144 WeakPolarHBondContact O-CB 3.16Å | ||
| 123 | P | 91.9 | Very high | 87.1 | Confident | 33 Ų | 33 | 27.7 Ų | 27.7 | 21% | 0.214 | 15% | 0.15 | C | C | . | . | trans | -75.6 | 63.6 | -179.7 | 32.9 | -37.1 | 0 | 0 | 0 | 112.6 | I102 H103 G125 | I102-P123 CarbonylContact O-C 3.6Å; I102-P123 WeakPolarHBondContact O-CD 3.25Å; H103-P123 WeakPolarHBondContact CA-O 3.1Å; H103-P123 WeakPolarHBondContact CE1-CG 3.44Å; H103-P123 PolarHBondContact ND1-O 3.07Å; P123-G125 PolarHBondContact O-N 3.41Å | ||
| 124 | L | 86 | Confident | 86.5 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | trans | -65.8 | 112.2 | -177.2 | -65.9 | 177.5 | 0 | 0 | 0 | 110.8 | I102 H103 L105 V119 N122 N126 I127 C144 L146 | I102-L124 HydrophobicContact CG2-CD2 4.09Å; H103-L124 CarbonylContact O-C 3.16Å; H103-L124 WeakPolarHBondContact O-CA 3.1Å; L105-L124 HydrophobicContact CD1-CD1 4.26Å; L105-L124 HydrophobicContact CD2-CD2 4.03Å; L105-L124 HydrophobicContact CG-CD1 4.46Å; L105-L124 HydrophobicContact CG-CD2 3.93Å; V119-L124 HydrophobicContact CB-CD1 4.25Å; V119-L124 HydrophobicContact CG2-CD1 3.67Å; N122-L124 HydrophobicContact CB-CD2 4.37Å; N122-L124 HydrophobicContact CB-CG 4.17Å; N122-L124 PolarHBondContact O-N 3.02Å; L124-N126 VanDerWaalsContact C-N 3.35Å; L124-I127 HydrophobicContact CD1-CG2 4.25Å; L124-C144 HydrophobicContact CB-CB 4.37Å; L124-C144 HydrophobicContact CD1-CB 4.14Å; L124-C144 HydrophobicContact CG-CB 4.37Å; L124-C144 PolarHBondContact N-O 3.18Å; L124-L146 HydrophobicContact CB-CD2 4.24Å | ||
| 125 | G | 73.2 | Confident | 86.2 | Confident | 43 Ų | 43 | 28.3 Ų | 28.3 | 44% | 0.443 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -82.1 | -17 | 170 | 0 | 0 | 0 | 0 | 0 | 112.8 | H103 P123 L150 | H103-G125 PolarHBondContact O-N 3.1Å; P123-G125 PolarHBondContact O-N 3.41Å; G125-L150 WeakPolarHBondContact O-CD2 3.49Å |
| 126 | N | 72.3 | Confident | 86 | Confident | 31 Ų | 31 | 25.5 Ų | 25.5 | 17% | 0.166 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -153.1 | 143.9 | -176.3 | -167.2 | 0.9 | 0 | 0 | 0 | 111.3 | E104 L124 S128 E158 | E104-N126 HydrophobicContact CG-CB 4.39Å; E104-N126 PolarHBondContact OE1-ND2 3.38Å; L124-N126 VanDerWaalsContact C-N 3.35Å; N126-S128 PolarHBondContact ND2-OG 3.29Å; N126-S128 WeakPolarHBondContact OD1-CB 3.14Å; N126-S128 PolarHBondContact OD1-N 2.9Å; N126-S128 PolarHBondContact OD1-OG 2.87Å; N126-E158 PolarHBondContact ND2-OE1 3.45Å |
| 127 | I | 77.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -122.8 | 7.3 | 178.6 | 61.2 | 161.4 | 0 | 0 | 0 | 113.2 | L124 G129 L130 M141 L146 L150 L151 T190 L191 | L124-I127 HydrophobicContact CD1-CG2 4.25Å; I127-G129 PolarHBondContact O-N 3.37Å; I127-G129 VanDerWaalsContact O-N 3.13Å; I127-L130 HydrophobicContact CB-CD1 4.14Å; I127-L130 WeakPolarHBondContact O-CB 3.36Å; I127-L130 WeakPolarHBondContact O-CG 3.13Å; I127-L130 PolarHBondContact O-N 3.49Å; I127-M141 HydrophobicContact CG2-SD 4.35Å; I127-L146 HydrophobicContact CG2-CD2 3.85Å; I127-L150 WeakPolarHBondContact CD1-O 3.24Å; I127-L150 HydrophobicContact CG1-CB 4.42Å; I127-L151 HydrophobicContact CD1-CD2 3.78Å; I127-T190 HydrophobicContact CD1-CG2 4.11Å; I127-T190 HydrophobicContact CG1-CG2 4Å; I127-T190 VanDerWaalsContact O-CG2 3.29Å; I127-T190 WeakPolarHBondContact O-CG2 3.2Å; I127-L191 HydrophobicContact CD1-CD2 4.42Å | ||
| 128 | S | 72.4 | Confident | 85.9 | Confident | 16 Ų | 16 | 28 Ų | 28 | 11% | 0.112 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -53.7 | -33.8 | -175.8 | 58.5 | 0 | 0 | 0 | 0 | 114.6 | N126 L130 W131 E158 | N126-S128 PolarHBondContact ND2-OG 3.29Å; N126-S128 WeakPolarHBondContact OD1-CB 3.14Å; N126-S128 PolarHBondContact OD1-N 2.9Å; N126-S128 PolarHBondContact OD1-OG 2.87Å; S128-L130 PolarHBondContact O-N 2.84Å; S128-W131 VanDerWaalsContact O-CB 3.29Å; S128-W131 WeakPolarHBondContact O-CB 3.35Å; S128-W131 PolarHBondContact O-N 3.39Å; S128-E158 WeakPolarHBondContact CB-OE1 3.5Å; S128-E158 WeakPolarHBondContact CB-OE2 3.4Å; S128-E158 PolarHBondContact OG-OE1 3.26Å |
| 129 | G | 75.1 | Confident | 85.9 | Confident | 6 Ų | 6 | 26.8 Ų | 26.8 | 6% | 0.062 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -58.9 | -13.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | P106 L108 I127 | P106-G129 CarbonylContact O-C 3.47Å; P106-G129 VanDerWaalsContact O-CA 3.3Å; P106-G129 WeakPolarHBondContact O-CA 3.46Å; L108-G129 PolarHBondContact N-O 2.9Å; I127-G129 PolarHBondContact O-N 3.37Å; I127-G129 VanDerWaalsContact O-N 3.13Å |
| 130 | L | 82.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -81.4 | -17.2 | 173 | -62.2 | 178.1 | 0 | 0 | 0 | 113.8 | L105 L108 L117 I127 S128 G132 C133 L139 M141 T190 I194 | L105-L130 HydrophobicContact CD1-CD1 4.11Å; L105-L130 HydrophobicContact CD1-CD2 3.74Å; L105-L130 HydrophobicContact CD1-CG 3.77Å; L108-L130 HydrophobicContact CD1-CD2 3.95Å; L117-L130 HydrophobicContact CD2-CD2 3.42Å; L117-L130 VanDerWaalsContact CD2-CD2 3.42Å; I127-L130 HydrophobicContact CB-CD1 4.14Å; I127-L130 WeakPolarHBondContact O-CB 3.36Å; I127-L130 WeakPolarHBondContact O-CG 3.13Å; I127-L130 PolarHBondContact O-N 3.49Å; S128-L130 PolarHBondContact O-N 2.84Å; L130-G132 PolarHBondContact O-N 2.88Å; L130-C133 WeakPolarHBondContact O-CB 3.47Å; L130-C133 PolarHBondContact O-N 2.91Å; L130-C133 PolarHBondContact O-SG 3.41Å; L130-L139 HydrophobicContact CD1-CD1 4.38Å; L130-L139 HydrophobicContact CD1-CD2 3.89Å; L130-M141 HydrophobicContact CD1-SD 3.98Å; L130-T190 HydrophobicContact CB-CG2 4.46Å; L130-I194 HydrophobicContact CB-CD1 3.89Å |
| 131 | W | 75.5 | Confident | 85.8 | Confident | 16 Ų | 16 | 27 Ų | 27 | 6% | 0.061 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 130.9 | -177 | -178.9 | -84.7 | 0 | 0 | 0 | 111.2 | N109 S128 C133 L154 I164 P189 T190 G193 L228 | N109-W131 WeakPolarHBondContact CB-O 3.24Å; N109-W131 PolarHBondContact ND2-O 3.13Å; S128-W131 VanDerWaalsContact O-CB 3.29Å; S128-W131 WeakPolarHBondContact O-CB 3.35Å; S128-W131 PolarHBondContact O-N 3.39Å; W131-C133 VanDerWaalsContact C-N 3.33Å; W131-L154 HydrophobicContact CB-CD1 4.11Å; W131-L154 HydrophobicContact CB-CD2 4.42Å; W131-L154 HydrophobicContact CD2-CD1 3.67Å; W131-L154 HydrophobicContact CE3-CD1 3.68Å; W131-L154 HydrophobicContact CE3-CG 4.49Å; W131-L154 HydrophobicContact CG-CD1 3.86Å; W131-L154 HydrophobicContact CZ3-CD1 4.35Å; W131-I164 HydrophobicContact CD2-CG2 4.36Å; W131-I164 HydrophobicContact CG-CG1 4.32Å; W131-I164 HydrophobicContact CG-CG2 4.17Å; W131-I164 HydrophobicContact CZ2-CG2 4.36Å; W131-P189 WeakPolarHBondContact CZ3-O 3.44Å; W131-T190 HydrophobicContact CB-CG2 4.46Å; W131-T190 VanDerWaalsContact CE3-O 3.25Å; W131-G193 VanDerWaalsContact CZ3-N 3.26Å; W131-L228 HydrophobicContact CH2-CD2 3.46Å; W131-L228 VanDerWaalsContact CH2-CD2 3.46Å; W131-L228 HydrophobicContact CZ2-CD2 3.96Å; W131-L228 HydrophobicContact CZ3-CD2 4.44Å |
| 132 | G | 72.5 | Confident | 85.8 | Confident | 11 Ų | 11 | 23.8 Ų | 23.8 | 11% | 0.113 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | 12 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | L130 M134 G193 | L130-G132 PolarHBondContact O-N 2.88Å; G132-M134 WeakPolarHBondContact O-CG 3.34Å; G132-M134 PolarHBondContact O-N 2.97Å; G132-G193 WeakPolarHBondContact CA-O 3.31Å; G132-G193 PolarHBondContact N-O 3.39Å; G132-G193 VanDerWaalsContact N-O 3.07Å |
| 133 | C | 82.6 | Confident | 85.7 | Confident | 7 Ų | 7 | 25 Ų | 25 | 5% | 0.047 | 14% | 0.14 | C | C | . | . | trans | -69.7 | 75.7 | 167.9 | -66.3 | 0 | 0 | 0 | 0 | 110.3 | L108 L130 W131 N135 L136 | L108-C133 VanDerWaalsContact C-SG 3.57Å; L130-C133 WeakPolarHBondContact O-CB 3.47Å; L130-C133 PolarHBondContact O-N 2.91Å; L130-C133 PolarHBondContact O-SG 3.41Å; W131-C133 VanDerWaalsContact C-N 3.33Å; C133-N135 PolarHBondContact O-N 2.73Å; C133-N135 VanDerWaalsContact O-N 3.15Å; C133-L136 HydrophobicContact CB-CB 3.84Å; C133-L136 HydrophobicContact CB-CD2 4.36Å; C133-L136 WeakPolarHBondContact O-CB 3.34Å; C133-L136 PolarHBondContact O-N 2.86Å; C133-L136 VanDerWaalsContact O-N 3.15Å | ||
| 134 | M | 80 | Confident | 85.8 | Confident | 64 Ų | 64 | 23.5 Ų | 23.5 | 32% | 0.315 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -23.9 | -167.1 | -65.8 | -58.5 | -94.7 | 0 | 0 | 114.4 | G132 P166 P195 Q196 | G132-M134 WeakPolarHBondContact O-CG 3.34Å; G132-M134 PolarHBondContact O-N 2.97Å; M134-P166 HydrophobicContact CE-CB 3.63Å; M134-P166 WeakPolarHBondContact CE-O 3.46Å; M134-P166 HydrophobicContact CG-CB 4.14Å; M134-P166 HydrophobicContact SD-CB 3.37Å; M134-P166 WeakPolarHBondContact SD-CB 3.28Å; M134-P166 HydrophobicContact SD-CG 4.43Å; M134-P195 HydrophobicContact CE-CG 3.99Å; M134-P195 HydrophobicContact SD-CG 3.7Å; M134-Q196 WeakPolarHBondContact O-CB 3.46Å; M134-Q196 WeakPolarHBondContact O-CG 3.4Å |
| 135 | N | 88.2 | Confident | 85.8 | Confident | 70 Ų | 70 | 30.3 Ų | 30.3 | 37% | 0.374 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -2.3 | -179.3 | -71.9 | -38.5 | 0 | 0 | 0 | 113.8 | P112 L114 C133 R137 | P112-N135 PolarHBondContact O-ND2 3.17Å; L114-N135 CarbonylContact O-C 3.45Å; L114-N135 VanDerWaalsContact O-C 3.28Å; C133-N135 PolarHBondContact O-N 2.73Å; C133-N135 VanDerWaalsContact O-N 3.15Å; N135-R137 PolarHBondContact O-N 3.26Å |
| 136 | L | 93.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -69.5 | 124.1 | -177.8 | -165.8 | 75.2 | 0 | 0 | 0 | 110.7 | L114 L117 C133 L139 I194 Q196 L197 | L114-L136 HydrophobicContact CD2-CD1 4.17Å; L114-L136 HydrophobicContact CG-CD1 4Å; L114-L136 WeakPolarHBondContact O-CA 3.45Å; L114-L136 PolarHBondContact O-N 3.46Å; L117-L136 HydrophobicContact CB-CD1 3.71Å; L117-L136 HydrophobicContact CB-CD2 4.46Å; C133-L136 HydrophobicContact CB-CB 3.84Å; C133-L136 HydrophobicContact CB-CD2 4.36Å; C133-L136 WeakPolarHBondContact O-CB 3.34Å; C133-L136 PolarHBondContact O-N 2.86Å; C133-L136 VanDerWaalsContact O-N 3.15Å; L136-L139 HydrophobicContact CD2-CB 4.2Å; L136-L139 HydrophobicContact CD2-CD1 4.37Å; L136-L139 HydrophobicContact CD2-CD2 4.25Å; L136-I194 HydrophobicContact CB-CG2 3.79Å; L136-I194 HydrophobicContact CD2-CD1 4.37Å; L136-I194 HydrophobicContact CD2-CG2 4.14Å; L136-I194 HydrophobicContact CG-CG2 4.43Å; L136-Q196 CarbonylContact O-C 3.53Å; L136-L197 HydrophobicContact CD2-CD1 4.42Å; L136-L197 HydrophobicContact CG-CD1 4.37Å; L136-L197 WeakPolarHBondContact O-CA 3.24Å; L136-L197 PolarHBondContact O-N 3.31Å | ||
| 137 | R | 96.2 | Very high | 86.2 | Confident | 94 Ų | 94 | 29.2 Ų | 29.2 | 36% | 0.355 | 15% | 0.146 | S | C | . | . | trans | -115.5 | -29.3 | -177.2 | -70.5 | 172 | -178.6 | 167.3 | -0.3 | 112.6 | E115 N135 R198 F199 | E115-R137 PolarHBondContact O-N 3.25Å; E115-R137 IonicContact OE1-CZ 3.9Å; E115-R137 IonicContact OE1-NH1 2.62Å; E115-R137 PolarHBondContact OE1-NH1 2.8Å; E115-R137 IonicContact OE2-CZ 2.76Å; E115-R137 IonicContact OE2-NE 3.12Å; E115-R137 IonicContact OE2-NH1 2.93Å; E115-R137 PolarHBondContact OE2-NH1 3.19Å; N135-R137 PolarHBondContact O-N 3.26Å; R137-R198 PolarHBondContact O-N 3.16Å; R137-F199 PolarHBondContact O-N 2.89Å | ||
| 138 | Y | 98.4 | Very high | 85.7 | Confident | 71 Ų | 71 | 29.8 Ų | 29.8 | 28% | 0.278 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 124.5 | -179.4 | 178.2 | -79.2 | 0 | 0 | 0 | 109.9 | E115 K116 L117 D140 F199 | E115-Y138 PolarHBondContact O-N 2.95Å; K116-Y138 HydrophobicContact CB-CD1 4.29Å; L117-Y138 PolarHBondContact N-O 3Å; Y138-D140 HydrophobicContact CE1-CB 4.06Å; Y138-F199 HydrophobicContact CD2-CB 3.78Å; Y138-F199 AromaticContact CD2-CD1 3.28Å; Y138-F199 HydrophobicContact CD2-CD1 3.28Å; Y138-F199 HydrophobicContact CD2-CD2 4.06Å; Y138-F199 AromaticContact CD2-CE1 3.82Å; Y138-F199 HydrophobicContact CD2-CE1 3.82Å; Y138-F199 HydrophobicContact CD2-CE2 4.49Å; Y138-F199 AromaticContact CD2-CG 3.44Å; Y138-F199 HydrophobicContact CD2-CG 3.44Å; Y138-F199 VanDerWaalsContact CD2-CG 3.44Å; Y138-F199 HydrophobicContact CD2-CZ 4.4Å; Y138-F199 HydrophobicContact CE1-CE1 4.47Å; Y138-F199 HydrophobicContact CE2-CB 4.49Å; Y138-F199 AromaticContact CE2-CD1 3.24Å; Y138-F199 HydrophobicContact CE2-CD1 3.24Å; Y138-F199 AromaticContact CE2-CD2 3.99Å; Y138-F199 HydrophobicContact CE2-CD2 3.99Å; Y138-F199 AromaticContact CE2-CE1 3.22Å; Y138-F199 HydrophobicContact CE2-CE1 3.22Å; Y138-F199 AromaticContact CE2-CE2 3.96Å; Y138-F199 HydrophobicContact CE2-CE2 3.96Å; Y138-F199 AromaticContact CE2-CG 3.66Å; Y138-F199 HydrophobicContact CE2-CG 3.66Å; Y138-F199 AromaticContact CE2-CZ 3.61Å; Y138-F199 HydrophobicContact CE2-CZ 3.61Å; Y138-F199 HydrophobicContact CG-CB 4.41Å; Y138-F199 AromaticContact CG-CD1 3.98Å; Y138-F199 HydrophobicContact CG-CD1 3.98Å; Y138-F199 HydrophobicContact CG-CG 4.35Å; Y138-F199 AromaticContact CZ-CD1 3.91Å; Y138-F199 AromaticContact CZ-CE1 3.6Å |
| 139 | L | 97.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 119.9 | 176.4 | -179.5 | 55.2 | 0 | 0 | 0 | 110.5 | L117 L130 L136 M141 L191 I194 L197 F199 L200 N201 | L117-L139 HydrophobicContact CB-CD1 4.19Å; L117-L139 HydrophobicContact CD2-CD1 3.95Å; L117-L139 HydrophobicContact CG-CD1 4.13Å; L117-L139 WeakPolarHBondContact O-CA 3.49Å; L130-L139 HydrophobicContact CD1-CD1 4.38Å; L130-L139 HydrophobicContact CD1-CD2 3.89Å; L136-L139 HydrophobicContact CD2-CB 4.2Å; L136-L139 HydrophobicContact CD2-CD1 4.37Å; L136-L139 HydrophobicContact CD2-CD2 4.25Å; L139-M141 HydrophobicContact CD1-CG 3.84Å; L139-M141 HydrophobicContact CD1-SD 4.28Å; L139-M141 HydrophobicContact CD2-CE 3.58Å; L139-M141 HydrophobicContact CD2-CG 4.39Å; L139-M141 HydrophobicContact CD2-SD 3.98Å; L139-M141 HydrophobicContact CG-CE 3.94Å; L139-M141 HydrophobicContact CG-CG 3.91Å; L139-M141 HydrophobicContact CG-SD 4.16Å; L139-L191 HydrophobicContact CD2-CD2 4.07Å; L139-I194 HydrophobicContact CD2-CD1 4.17Å; L139-L197 HydrophobicContact CB-CD1 3.7Å; L139-L197 HydrophobicContact CB-CD2 4.47Å; L139-L197 HydrophobicContact CD2-CD2 4.5Å; L139-F199 PolarHBondContact N-O 3.3Å; L139-L200 HydrophobicContact CB-CD1 4.26Å; L139-L200 HydrophobicContact CD2-CD1 4.19Å; L139-L200 HydrophobicContact CG-CD1 4.19Å; L139-L200 WeakPolarHBondContact O-CA 3.37Å; L139-N201 PolarHBondContact O-N 3.11Å |
| 140 | D | 98.1 | Very high | 84.6 | Confident | 15 Ų | 15 | 35 Ų | 35 | 8% | 0.08 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118.4 | 171.1 | -162 | -35 | 0 | 0 | 0 | 110.7 | L117 N118 V119 S120 Y138 T142 N201 | L117-D140 PolarHBondContact O-N 3.33Å; N118-D140 HydrophobicContact CB-CB 4.49Å; V119-D140 WeakPolarHBondContact CG2-O 3.42Å; V119-D140 PolarHBondContact N-O 3.12Å; S120-D140 PolarHBondContact N-O 2.9Å; Y138-D140 HydrophobicContact CE1-CB 4.06Å; D140-T142 VanDerWaalsContact OD1-CB 3.24Å; D140-T142 WeakPolarHBondContact OD1-CB 3.43Å; D140-T142 PolarHBondContact OD1-N 2.9Å; D140-T142 PolarHBondContact OD1-OG1 2.79Å; D140-N201 HydrophobicContact CB-CB 4.3Å; D140-N201 PolarHBondContact OD1-ND2 2.62Å; D140-N201 PolarHBondContact OD2-ND2 2.65Å |
| 141 | M | 94.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -125.6 | 34.7 | 177.6 | -58.7 | -176.5 | -75.4 | 0 | 0 | 111 | V119 I127 L130 L139 S143 C144 L146 L191 L200 N201 L202 N205 | V119-M141 HydrophobicContact CG2-CB 4.21Å; V119-M141 HydrophobicContact CG2-CG 3.55Å; I127-M141 HydrophobicContact CG2-SD 4.35Å; L130-M141 HydrophobicContact CD1-SD 3.98Å; L139-M141 HydrophobicContact CD1-CG 3.84Å; L139-M141 HydrophobicContact CD1-SD 4.28Å; L139-M141 HydrophobicContact CD2-CE 3.58Å; L139-M141 HydrophobicContact CD2-CG 4.39Å; L139-M141 HydrophobicContact CD2-SD 3.98Å; L139-M141 HydrophobicContact CG-CE 3.94Å; L139-M141 HydrophobicContact CG-CG 3.91Å; L139-M141 HydrophobicContact CG-SD 4.16Å; M141-S143 PolarHBondContact O-N 2.89Å; M141-C144 HydrophobicContact CB-CB 4.45Å; M141-C144 PolarHBondContact O-SG 3.42Å; M141-C144 VanDerWaalsContact O-SG 3.38Å; M141-L146 HydrophobicContact CB-CD1 3.97Å; M141-L146 HydrophobicContact CE-CD1 4.41Å; M141-L146 HydrophobicContact SD-CD1 4.2Å; M141-L191 HydrophobicContact CE-CD1 4.35Å; M141-L191 HydrophobicContact CE-CD2 3.93Å; M141-L200 HydrophobicContact CE-CD1 3.71Å; M141-N201 CarbonylContact C-O 3.46Å; M141-N201 PolarHBondContact N-O 2.9Å; M141-L202 HydrophobicContact CB-CD2 4.3Å; M141-L202 HydrophobicContact CE-CD2 3.42Å; M141-L202 VanDerWaalsContact CE-CD2 3.42Å; M141-L202 HydrophobicContact CE-CG 4.49Å; M141-N205 PolarHBondContact O-ND2 3.48Å | ||
| 142 | T | 96.9 | Very high | 82.7 | Confident | 17 Ų | 17 | 35.1 Ų | 35.1 | 10% | 0.104 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 136.3 | 176.1 | -61.5 | 0 | 0 | 0 | 0 | 111 | S120 H121 D140 C144 N201 S203 | S120-T142 CarbonylContact C-O 3.49Å; S120-T142 VanDerWaalsContact CA-O 3.28Å; S120-T142 WeakPolarHBondContact CA-O 3.13Å; S120-T142 WeakPolarHBondContact CB-O 3.43Å; H121-T142 PolarHBondContact N-O 2.78Å; D140-T142 VanDerWaalsContact OD1-CB 3.24Å; D140-T142 WeakPolarHBondContact OD1-CB 3.43Å; D140-T142 PolarHBondContact OD1-N 2.9Å; D140-T142 PolarHBondContact OD1-OG1 2.79Å; T142-C144 PolarHBondContact O-N 2.8Å; T142-C144 VanDerWaalsContact O-N 3.16Å; T142-C144 PolarHBondContact O-SG 3.39Å; T142-C144 VanDerWaalsContact O-SG 3.41Å; T142-N201 PolarHBondContact OG1-ND2 2.93Å; T142-N201 PolarHBondContact OG1-OD1 2.83Å; T142-S203 CarbonylContact C-O 3.55Å; T142-S203 VanDerWaalsContact CA-O 3.31Å; T142-S203 WeakPolarHBondContact CA-O 3.42Å; T142-S203 VanDerWaalsContact CG2-OG 3.25Å; T142-S203 WeakPolarHBondContact CG2-OG 3.19Å; T142-S203 PolarHBondContact OG1-OG 3.09Å; T142-S203 VanDerWaalsContact OG1-OG 3.13Å |
| 143 | S | 95.5 | Very high | 81.6 | Confident | 28 Ų | 28 | 35 Ų | 35 | 20% | 0.196 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 40.2 | 175.5 | -55.7 | 0 | 0 | 0 | 0 | 114 | M141 H145 S203 S204 | M141-S143 PolarHBondContact O-N 2.89Å; S143-H145 VanDerWaalsContact C-N 3.3Å; S143-S203 PolarHBondContact N-O 2.88Å; S143-S204 WeakPolarHBondContact OG-CB 3.21Å |
| 144 | C | 92.8 | Very high | 79.6 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -92 | 11.8 | 179.9 | -69.5 | 0 | 0 | 0 | 0 | 113.5 | V119 N122 L124 M141 T142 L146 N205 | V119-C144 PolarHBondContact O-SG 3.07Å; N122-C144 CarbonylContact O-C 3.33Å; N122-C144 WeakPolarHBondContact O-CA 3.48Å; N122-C144 WeakPolarHBondContact O-CB 3.16Å; L124-C144 HydrophobicContact CB-CB 4.37Å; L124-C144 HydrophobicContact CD1-CB 4.14Å; L124-C144 HydrophobicContact CG-CB 4.37Å; L124-C144 PolarHBondContact N-O 3.18Å; M141-C144 HydrophobicContact CB-CB 4.45Å; M141-C144 PolarHBondContact O-SG 3.42Å; M141-C144 VanDerWaalsContact O-SG 3.38Å; T142-C144 PolarHBondContact O-N 2.8Å; T142-C144 VanDerWaalsContact O-N 3.16Å; T142-C144 PolarHBondContact O-SG 3.39Å; T142-C144 VanDerWaalsContact O-SG 3.41Å; C144-L146 HydrophobicContact CB-CD1 4.44Å; C144-L146 HydrophobicContact CB-CD2 3.99Å; C144-L146 HydrophobicContact CB-CG 3.84Å; C144-L146 PolarHBondContact O-N 2.9Å; C144-N205 PolarHBondContact N-OD1 3Å |
| 145 | H | 85.6 | Confident | 77.5 | Confident | 147 Ų | 147 | 35.3 Ų | 35.3 | 68% | 0.681 | 17% | 0.169 | S | C | * | . | trans | 55 | 29.1 | -174.2 | -61.7 | -70.5 | 0 | 0 | 0 | 113.9 | S143 N205 | S143-H145 VanDerWaalsContact C-N 3.3Å; H145-N205 PolarHBondContact N-OD1 3.22Å; H145-N205 VanDerWaalsContact N-OD1 3.1Å | ||
| 146 | L | 83.3 | Confident | 74.8 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | trans | -63.2 | 141.2 | -176.6 | -59.6 | 179 | 0 | 0 | 0 | 111.1 | L124 I127 M141 C144 L150 L202 N205 L208 | L124-L146 HydrophobicContact CB-CD2 4.24Å; I127-L146 HydrophobicContact CG2-CD2 3.85Å; M141-L146 HydrophobicContact CB-CD1 3.97Å; M141-L146 HydrophobicContact CE-CD1 4.41Å; M141-L146 HydrophobicContact SD-CD1 4.2Å; C144-L146 HydrophobicContact CB-CD1 4.44Å; C144-L146 HydrophobicContact CB-CD2 3.99Å; C144-L146 HydrophobicContact CB-CG 3.84Å; C144-L146 PolarHBondContact O-N 2.9Å; L146-L150 HydrophobicContact CD2-CD1 4.3Å; L146-L202 HydrophobicContact CD1-CD2 3.71Å; L146-N205 HydrophobicContact CB-CB 4.18Å; L146-N205 PolarHBondContact N-OD1 2.92Å; L146-L208 HydrophobicContact CB-CD1 4.41Å; L146-L208 HydrophobicContact CB-CD2 4.03Å; L146-L208 HydrophobicContact CB-CG 4.37Å | ||
| 147 | N | 72.1 | Confident | 72.1 | Confident | 51 Ų | 51 | 41.2 Ų | 41.2 | 27% | 0.273 | 20% | 0.196 | S | C | . | . | B | Isolated β-bridge | trans | -111.9 | 151 | 172.8 | -164.3 | -18 | 0 | 0 | 0 | 110 | Y149 L150 K207 | N147-Y149 HydrophobicContact CB-CD1 3.74Å; N147-Y149 HydrophobicContact CB-CE1 3.49Å; N147-Y149 VanDerWaalsContact CB-CE1 3.49Å; N147-Y149 VanDerWaalsContact CG-CD1 3.49Å; N147-Y149 VanDerWaalsContact CG-CE1 3.49Å; N147-Y149 VanDerWaalsContact ND2-CE1 3.35Å; N147-Y149 WeakPolarHBondContact ND2-CE1 3.47Å; N147-Y149 PolarHBondContact O-N 2.97Å; N147-Y149 VanDerWaalsContact O-N 3.11Å; N147-L150 WeakPolarHBondContact O-CB 3.33Å; N147-L150 PolarHBondContact O-N 2.96Å; N147-K207 HydrophobicContact CB-CB 4.37Å |
| 148 | S | 65.5 | Low | 69.1 | Low | 11 Ų | 11 | 38.4 Ų | 38.4 | 8% | 0.077 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -48.5 | -41.6 | -176.1 | -69.6 | 0 | 0 | 0 | 0 | 113.7 | L150 L151 I152 K207 L208 V211 | S148-L150 PolarHBondContact O-N 3.43Å; S148-L151 PolarHBondContact O-N 2.94Å; S148-I152 WeakPolarHBondContact O-CG1 3.49Å; S148-I152 PolarHBondContact O-N 2.93Å; S148-K207 PolarHBondContact N-O 2.89Å; S148-K207 PolarHBondContact OG-O 2.87Å; S148-L208 WeakPolarHBondContact OG-CA 3.42Å; S148-V211 WeakPolarHBondContact O-CG2 3.37Å; S148-V211 WeakPolarHBondContact OG-CG2 3.41Å |
| 149 | Y | 62.5 | Low | 66.1 | Low | 122 Ų | 122 | 37.4 Ų | 37.4 | 48% | 0.478 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.6 | -25.3 | -178 | 73.3 | -93.9 | 0 | 0 | 0 | 113.4 | N147 L151 I152 G153 | N147-Y149 HydrophobicContact CB-CD1 3.74Å; N147-Y149 HydrophobicContact CB-CE1 3.49Å; N147-Y149 VanDerWaalsContact CB-CE1 3.49Å; N147-Y149 VanDerWaalsContact CG-CD1 3.49Å; N147-Y149 VanDerWaalsContact CG-CE1 3.49Å; N147-Y149 VanDerWaalsContact ND2-CE1 3.35Å; N147-Y149 WeakPolarHBondContact ND2-CE1 3.47Å; N147-Y149 PolarHBondContact O-N 2.97Å; N147-Y149 VanDerWaalsContact O-N 3.11Å; Y149-L151 VanDerWaalsContact C-N 3.34Å; Y149-I152 PolarHBondContact O-N 2.76Å; Y149-G153 PolarHBondContact O-N 2.93Å |
| 150 | L | 62.4 | Low | 62.9 | Low | 9 Ų | 9 | 41.9 Ų | 41.9 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.7 | -31.4 | 179.3 | -61.8 | 177.7 | 0 | 0 | 0 | 112.2 | G125 I127 L146 N147 S148 T190 | G125-L150 WeakPolarHBondContact O-CD2 3.49Å; I127-L150 WeakPolarHBondContact CD1-O 3.24Å; I127-L150 HydrophobicContact CG1-CB 4.42Å; L146-L150 HydrophobicContact CD2-CD1 4.3Å; N147-L150 WeakPolarHBondContact O-CB 3.33Å; N147-L150 PolarHBondContact O-N 2.96Å; S148-L150 PolarHBondContact O-N 3.43Å; L150-T190 PolarHBondContact O-OG1 2.74Å |
| 151 | L | 64.1 | Low | 59.6 | Low | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -76.3 | -32.6 | 173.7 | -65 | -172.7 | 0 | 0 | 0 | 111.8 | I127 S148 Y149 P189 T190 L191 L202 L208 V211 | I127-L151 HydrophobicContact CD1-CD2 3.78Å; S148-L151 PolarHBondContact O-N 2.94Å; Y149-L151 VanDerWaalsContact C-N 3.34Å; L151-P189 CarbonylContact O-C 3.16Å; L151-P189 WeakPolarHBondContact O-CA 3.09Å; L151-P189 WeakPolarHBondContact O-CB 3.27Å; L151-T190 PolarHBondContact O-N 3.46Å; L151-L191 HydrophobicContact CD2-CD1 3.55Å; L151-L191 HydrophobicContact CD2-CG 3.94Å; L151-L202 HydrophobicContact CD1-CD1 4.23Å; L151-L208 HydrophobicContact CD1-CD1 4Å; L151-L208 HydrophobicContact CD1-CD2 3.57Å; L151-L208 HydrophobicContact CD1-CG 4.35Å; L151-L208 HydrophobicContact CG-CD2 3.94Å; L151-V211 HydrophobicContact CB-CG1 4.44Å; L151-V211 HydrophobicContact CB-CG2 4.47Å; L151-V211 HydrophobicContact CD1-CG1 4.21Å; L151-V211 HydrophobicContact CD1-CG2 4.33Å |
| 152 | I | 53.8 | Low | 56.4 | Low | 20 Ų | 20 | 49.2 Ų | 49.2 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -79.6 | -17.7 | -178.9 | -65.5 | 166.5 | 0 | 0 | 0 | 111.6 | S148 Y149 N187 Y188 P189 V211 I214 F240 I258 | S148-I152 WeakPolarHBondContact O-CG1 3.49Å; S148-I152 PolarHBondContact O-N 2.93Å; Y149-I152 PolarHBondContact O-N 2.76Å; I152-N187 HydrophobicContact CG2-CB 4.36Å; I152-N187 CarbonylContact O-C 3.54Å; I152-Y188 CarbonylContact C-O 3.56Å; I152-Y188 CarbonylContact O-C 3.11Å; I152-P189 VanDerWaalsContact C-CA 3.44Å; I152-P189 WeakPolarHBondContact O-CA 3.25Å; I152-V211 HydrophobicContact CD1-CG2 4.29Å; I152-I214 HydrophobicContact CD1-CD1 4.09Å; I152-F240 HydrophobicContact CG2-CE1 3.62Å; I152-F240 HydrophobicContact CG2-CZ 4.08Å; I152-I258 HydrophobicContact CD1-CD1 4.31Å; I152-I258 HydrophobicContact CG1-CD1 3.79Å |
| 153 | G | 49.7 | Very low | 53.4 | Low | 7 Ų | 7 | 49.3 Ų | 49.3 | 7% | 0.072 | 26% | 0.26 | C | S | . | . | trans | -154.5 | 126 | -159.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | Y149 N187 Y188 | Y149-G153 PolarHBondContact O-N 2.93Å; G153-N187 VanDerWaalsContact CA-C 3.49Å; G153-Y188 CarbonylContact C-O 3.25Å; G153-Y188 WeakPolarHBondContact CA-O 2.93Å; G153-Y188 PolarHBondContact N-O 2.81Å | ||
| 154 | L | 39.8 | Very low | 50.5 | Low | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -90.2 | 135.5 | 153.2 | -62.2 | 174.3 | 0 | 0 | 0 | 112.6 | W131 I164 K186 N187 Y188 T190 | W131-L154 HydrophobicContact CB-CD1 4.11Å; W131-L154 HydrophobicContact CB-CD2 4.42Å; W131-L154 HydrophobicContact CD2-CD1 3.67Å; W131-L154 HydrophobicContact CE3-CD1 3.68Å; W131-L154 HydrophobicContact CE3-CG 4.49Å; W131-L154 HydrophobicContact CG-CD1 3.86Å; W131-L154 HydrophobicContact CZ3-CD1 4.35Å; L154-I164 HydrophobicContact CD1-CD1 3.75Å; L154-K186 CarbonylContact C-O 3.59Å; L154-K186 VanDerWaalsContact C-O 3.29Å; L154-K186 CarbonylContact O-C 3.55Å; L154-N187 WeakPolarHBondContact O-CA 3.39Å; L154-N187 PolarHBondContact O-N 2.76Å; L154-Y188 PolarHBondContact N-O 3.15Å; L154-Y188 PolarHBondContact O-N 3.3Å; L154-T190 HydrophobicContact CD2-CG2 4.19Å |
| 155 | N | 37.7 | Very low | 47.7 | Very low | 77 Ų | 77 | 53.6 Ų | 53.6 | 41% | 0.412 | 28% | 0.281 | S | S | . | . | trans | -79.8 | 150.4 | 172.3 | -172.9 | 0.6 | 0 | 0 | 0 | 111.4 | N157 E158 K186 | N155-N157 PolarHBondContact O-N 2.93Å; N155-E158 PolarHBondContact N-OE2 3.25Å; N155-E158 VanDerWaalsContact N-OE2 3.11Å; N155-E158 WeakPolarHBondContact O-CB 3.33Å; N155-E158 PolarHBondContact O-N 3.02Å; N155-K186 WeakPolarHBondContact CA-O 3.46Å | ||
| 156 | K | 31.4 | Very low | 45.2 | Very low | 90 Ų | 90 | 48.6 Ų | 48.6 | 39% | 0.391 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.4 | -32.5 | -179.3 | -134 | -166 | -165.6 | -176.7 | 0 | 113.1 | E158 I159 Q160 K186 | K156-E158 PolarHBondContact O-N 3.17Å; K156-I159 PolarHBondContact O-N 3.04Å; K156-Q160 PolarHBondContact O-N 2.83Å; K156-K186 HydrophobicContact CB-CD 3.31Å; K156-K186 HydrophobicContact CD-CD 3.97Å; K156-K186 HydrophobicContact CG-CD 3.54Å |
| 157 | N | 35.5 | Very low | 42.7 | Very low | 104 Ų | 104 | 53.2 Ų | 53.2 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.4 | -26.4 | -176.4 | -69.9 | 1.8 | 0 | 0 | 0 | 111.3 | N155 L161 | N155-N157 PolarHBondContact O-N 2.93Å; N157-L161 PolarHBondContact O-N 3.04Å |
| 158 | E | 33.8 | Very low | 40.7 | Very low | 35 Ų | 35 | 60 Ų | 60 | 16% | 0.164 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -80.2 | -31.4 | 176.9 | -59.5 | 172.5 | 141.4 | 0 | 0 | 111.6 | N126 S128 N155 K156 L161 | N126-E158 PolarHBondContact ND2-OE1 3.45Å; S128-E158 WeakPolarHBondContact CB-OE1 3.5Å; S128-E158 WeakPolarHBondContact CB-OE2 3.4Å; S128-E158 PolarHBondContact OG-OE1 3.26Å; N155-E158 PolarHBondContact N-OE2 3.25Å; N155-E158 VanDerWaalsContact N-OE2 3.11Å; N155-E158 WeakPolarHBondContact O-CB 3.33Å; N155-E158 PolarHBondContact O-N 3.02Å; K156-E158 PolarHBondContact O-N 3.17Å; E158-L161 PolarHBondContact O-N 3.02Å |
| 159 | I | 34.6 | Very low | 38.9 | Very low | 50 Ų | 50 | 62.3 Ų | 62.3 | 26% | 0.256 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -74.3 | -36.6 | 172.6 | -51.4 | 171.8 | 0 | 0 | 0 | 110.7 | K156 L161 G162 I164 Y188 | K156-I159 PolarHBondContact O-N 3.04Å; I159-L161 PolarHBondContact O-N 3.43Å; I159-G162 PolarHBondContact O-N 3.22Å; I159-I164 HydrophobicContact CB-CD1 4.28Å; I159-I164 HydrophobicContact CG1-CD1 3.7Å; I159-Y188 HydrophobicContact CD1-CD2 3.46Å; I159-Y188 VanDerWaalsContact CD1-CD2 3.46Å; I159-Y188 HydrophobicContact CD1-CE2 3.27Å |
| 160 | Q | 32 | Very low | 37.2 | Very low | 95 Ų | 95 | 61.7 Ų | 61.7 | 44% | 0.444 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -10.7 | 173.8 | -103 | -179.4 | -28 | 0 | 0 | 113 | K156 G162 Y177 | K156-Q160 PolarHBondContact O-N 2.83Å; Q160-G162 PolarHBondContact O-N 2.96Å; Q160-Y177 WeakPolarHBondContact O-CE1 3.49Å; Q160-Y177 PolarHBondContact O-OH 3.09Å |
| 161 | L | 26.8 | Very low | 35.5 | Very low | 116 Ų | 116 | 68.3 Ų | 68.3 | 61% | 0.607 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 21.1 | 164.2 | -82 | 162.9 | 0 | 0 | 0 | 112.5 | N157 E158 I159 A163 | N157-L161 PolarHBondContact O-N 3.04Å; E158-L161 PolarHBondContact O-N 3.02Å; I159-L161 PolarHBondContact O-N 3.43Å; L161-A163 WeakPolarHBondContact O-CB 3.35Å; L161-A163 PolarHBondContact O-N 3.09Å |
| 162 | G | 28.7 | Very low | 33.6 | Very low | 52 Ų | 52 | 75.5 Ų | 75.5 | 54% | 0.536 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 11.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | I159 Q160 Y177 | I159-G162 PolarHBondContact O-N 3.22Å; Q160-G162 PolarHBondContact O-N 2.96Å; G162-Y177 WeakPolarHBondContact CA-OH 3.43Å; G162-Y177 PolarHBondContact N-OH 2.75Å |
| 163 | A | 33.1 | Very low | 32.2 | Very low | 20 Ų | 20 | 81.4 Ų | 81.4 | 17% | 0.165 | 46% | 0.461 | C | S | . | . | trans | -103.3 | 6.8 | -164.1 | 0 | 0 | 0 | 0 | 0 | 113 | E107 N109 L161 | E107-A163 HydrophobicContact CG-CB 4.44Å; N109-A163 PolarHBondContact ND2-O 3.04Å; L161-A163 WeakPolarHBondContact O-CB 3.35Å; L161-A163 PolarHBondContact O-N 3.09Å | ||
| 164 | I | 35.9 | Very low | 31 | Very low | 34 Ų | 34 | 86.2 Ų | 86.2 | 17% | 0.174 | 48% | 0.484 | C | S | . | . | trans | -133.2 | 71.6 | -164.1 | -60.8 | 173.9 | 0 | 0 | 0 | 110.1 | W131 L154 I159 | W131-I164 HydrophobicContact CD2-CG2 4.36Å; W131-I164 HydrophobicContact CG-CG1 4.32Å; W131-I164 HydrophobicContact CG-CG2 4.17Å; W131-I164 HydrophobicContact CZ2-CG2 4.36Å; L154-I164 HydrophobicContact CD1-CD1 3.75Å; I159-I164 HydrophobicContact CB-CD1 4.28Å; I159-I164 HydrophobicContact CG1-CD1 3.7Å | ||
| 165 | N | 32.5 | Very low | 30.3 | Very low | 84 Ų | 84 | 90.7 Ų | 90.7 | 45% | 0.449 | 52% | 0.515 | S | S | . | . | trans | -139.3 | 98.2 | 154.3 | -133.7 | 6.9 | 0 | 0 | 0 | 109.1 | L167 L174 | N165-L167 PolarHBondContact O-N 3.39Å; N165-L174 HydrophobicContact CB-CD1 3.88Å; N165-L174 WeakPolarHBondContact ND2-CD1 3.47Å | ||
| 166 | P | 33.2 | Very low | 29.5 | Very low | 42 Ų | 42 | 93.6 Ų | 93.6 | 27% | 0.273 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -74.1 | -7.2 | 177.4 | 7.1 | 1.2 | 0 | 0 | 0 | 113.7 | M134 | M134-P166 HydrophobicContact CE-CB 3.63Å; M134-P166 WeakPolarHBondContact CE-O 3.46Å; M134-P166 HydrophobicContact CG-CB 4.14Å; M134-P166 HydrophobicContact SD-CB 3.37Å; M134-P166 WeakPolarHBondContact SD-CB 3.28Å; M134-P166 HydrophobicContact SD-CG 4.43Å |
| 167 | L | 32.7 | Very low | 29.1 | Very low | 98 Ų | 98 | 95.6 Ų | 95.6 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | trans | -109.7 | 48.3 | -178.1 | -64.5 | 179.7 | 0 | 0 | 0 | 112.1 | N165 G169 Y229 | N165-L167 PolarHBondContact O-N 3.39Å; L167-G169 PolarHBondContact O-N 2.92Å; L167-Y229 HydrophobicContact CD1-CD1 3.64Å; L167-Y229 HydrophobicContact CD1-CE1 3.19Å; L167-Y229 HydrophobicContact CG-CE1 4.21Å | ||
| 168 | E | 29.5 | Very low | 28.6 | Very low | 192 Ų | 192 | 95 Ų | 95 | 90% | 0.897 | 54% | 0.535 | S | S | * | . | trans | -62.2 | 90 | 157.1 | -93.5 | -167.8 | 159.8 | 0 | 0 | 109 | ||||
| 169 | G | 28.3 | Very low | 28.1 | Very low | 60 Ų | 60 | 100.7 Ų | 100.7 | 62% | 0.619 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -169.9 | 80.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | L167 | L167-G169 PolarHBondContact O-N 2.92Š|
| 170 | S | 26 | Very low | 27.6 | Very low | 109 Ų | 109 | 105.2 Ų | 105.2 | 76% | 0.762 | 58% | 0.58 | S | S | * | * | S | Bend | trans | 88.8 | 105.4 | 176.4 | 83.9 | 0 | 0 | 0 | 0 | 116.7 | ||
| 171 | N | 26.3 | Very low | 27.4 | Very low | 148 Ų | 148 | 106.5 Ų | 106.5 | 79% | 0.791 | 59% | 0.594 | S | S | * | * | trans | 49.5 | 88.7 | 146.7 | -58.1 | -10.4 | 0 | 0 | 0 | 117.1 | ||||
| 172 | N | 25.4 | Very low | 27.2 | Very low | 152 Ų | 152 | 105.2 Ų | 105.2 | 81% | 0.813 | 59% | 0.588 | S | S | * | * | -173.3 | 124.6 | 127 | -90.3 | -23.9 | 0 | 0 | 0 | 113.1 | L174 | N172-L174 PolarHBondContact O-N 2.98Š| |||
| 173 | N | 23.8 | Very low | 26.9 | Very low | 144 Ų | 144 | 114.6 Ų | 114.6 | 77% | 0.77 | 61% | 0.607 | S | S | * | * | trans | -32 | 114.4 | 169.7 | -65.7 | -42.2 | 0 | 0 | 0 | 115.5 | ||||
| 174 | L | 24.6 | Very low | 26.3 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 56% | 0.56 | 63% | 0.631 | S | S | * | * | trans | -95 | 22.1 | 169.3 | -92.8 | 167.2 | 0 | 0 | 0 | 113.4 | N165 N172 I176 | N165-L174 HydrophobicContact CB-CD1 3.88Å; N165-L174 WeakPolarHBondContact ND2-CD1 3.47Å; N172-L174 PolarHBondContact O-N 2.98Å; L174-I176 PolarHBondContact O-N 3.19Å | ||
| 175 | S | 24.1 | Very low | 25.9 | Very low | 95 Ų | 95 | 124.8 Ų | 124.8 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | trans | -73.2 | 12.1 | 178.3 | 54.8 | 0 | 0 | 0 | 0 | 115 | Y177 | S175-Y177 PolarHBondContact O-N 3.13Å; S175-Y177 VanDerWaalsContact O-N 3.15Å | ||
| 176 | I | 21.8 | Very low | 26.2 | Very low | 139 Ų | 139 | 122.9 Ų | 122.9 | 71% | 0.713 | 64% | 0.639 | S | S | * | * | trans | -95.9 | 47.1 | -179.3 | -50.9 | 177.8 | 0 | 0 | 0 | 111.3 | L174 T178 | L174-I176 PolarHBondContact O-N 3.19Å; I176-T178 WeakPolarHBondContact CG2-O 3.47Å; I176-T178 PolarHBondContact O-N 3.34Å | ||
| 177 | Y | 23.1 | Very low | 26.5 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 52% | 0.518 | 64% | 0.641 | S | S | . | * | trans | -64.6 | 29 | 159.3 | -104.1 | -88 | 0 | 0 | 0 | 114.5 | Q160 G162 S175 | Q160-Y177 WeakPolarHBondContact O-CE1 3.49Å; Q160-Y177 PolarHBondContact O-OH 3.09Å; G162-Y177 WeakPolarHBondContact CA-OH 3.43Å; G162-Y177 PolarHBondContact N-OH 2.75Å; S175-Y177 PolarHBondContact O-N 3.13Å; S175-Y177 VanDerWaalsContact O-N 3.15Å | ||
| 178 | T | 24 | Very low | 27.3 | Very low | 90 Ų | 90 | 122.2 Ų | 122.2 | 55% | 0.552 | 63% | 0.629 | S | S | * | * | trans | -147.5 | 118.3 | 178.3 | 69 | 0 | 0 | 0 | 0 | 104.5 | I176 | I176-T178 WeakPolarHBondContact CG2-O 3.47Å; I176-T178 PolarHBondContact O-N 3.34Å | ||
| 179 | K | 23.4 | Very low | 28.8 | Very low | 156 Ų | 156 | 113.6 Ų | 113.6 | 68% | 0.678 | 59% | 0.59 | S | S | * | * | cis | -177.3 | 155.3 | 49.9 | -106.8 | 161.7 | 176.8 | -172.7 | 0 | 108.2 | ||||
| 180 | E | 25.7 | Very low | 30.6 | Very low | 144 Ų | 144 | 110.7 Ų | 110.7 | 67% | 0.673 | 56% | 0.56 | S | S | * | * | trans | 71.7 | 116.5 | 140.4 | -67.2 | 160.3 | -155.2 | 0 | 0 | 121.2 | ||||
| 181 | T | 26 | Very low | 33.1 | Very low | 122 Ų | 122 | 105.5 Ų | 105.5 | 75% | 0.748 | 52% | 0.524 | S | S | * | . | trans | 52.5 | 95.3 | 138.9 | 63.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 182 | N | 22.9 | Very low | 35.2 | Very low | 89 Ų | 89 | 99.7 Ų | 99.7 | 48% | 0.476 | 49% | 0.492 | S | S | . | . | trans | -161.4 | 105 | 147.7 | -99.9 | -45.8 | 0 | 0 | 0 | 112.2 | F184 K186 K237 | N182-F184 PolarHBondContact O-N 3.47Å; N182-F184 VanDerWaalsContact O-N 3.11Å; N182-K186 PolarHBondContact O-NZ 2.77Å; N182-K186 VanDerWaalsContact O-NZ 3.1Å; N182-K237 PolarHBondContact ND2-NZ 3.06Å; N182-K237 VanDerWaalsContact ND2-NZ 3.18Å | ||
| 183 | R | 22.7 | Very low | 37.4 | Very low | 249 Ų | 249 | 92.6 Ų | 92.6 | 94% | 0.94 | 46% | 0.456 | S | S | * | . | trans | -72.2 | 27.7 | -177.1 | -108.5 | -179.4 | -178.9 | 163.8 | -0.4 | 115.6 | ||||
| 184 | F | 21.7 | Very low | 40 | Very low | 151 Ų | 151 | 85.8 Ų | 85.8 | 66% | 0.662 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -132.1 | 120 | -176.6 | -74.9 | -84.2 | 0 | 0 | 0 | 112.3 | N182 K186 | N182-F184 PolarHBondContact O-N 3.47Å; N182-F184 VanDerWaalsContact O-N 3.11Å; F184-K186 PolarHBondContact O-N 3.41Å |
| 185 | I | 26.8 | Very low | 42.4 | Very low | 118 Ų | 118 | 82.3 Ų | 82.3 | 61% | 0.605 | 40% | 0.403 | S | S | * | . | trans | 11.4 | 97.8 | 147.4 | -49.4 | 165.8 | 0 | 0 | 0 | 113 | ||||
| 186 | K | 37.6 | Very low | 45.3 | Very low | 43 Ų | 43 | 81 Ų | 81 | 19% | 0.187 | 39% | 0.387 | C | S | . | . | trans | -113.1 | 133.3 | 169.3 | -71.7 | 143.2 | -179 | 145.8 | 0 | 105.8 | L154 N155 K156 N182 F184 | L154-K186 CarbonylContact C-O 3.59Å; L154-K186 VanDerWaalsContact C-O 3.29Å; L154-K186 CarbonylContact O-C 3.55Å; N155-K186 WeakPolarHBondContact CA-O 3.46Å; K156-K186 HydrophobicContact CB-CD 3.31Å; K156-K186 HydrophobicContact CD-CD 3.97Å; K156-K186 HydrophobicContact CG-CD 3.54Å; N182-K186 PolarHBondContact O-NZ 2.77Å; N182-K186 VanDerWaalsContact O-NZ 3.1Å; F184-K186 PolarHBondContact O-N 3.41Å | ||
| 187 | N | 40.3 | Very low | 48.5 | Very low | 60 Ų | 60 | 74.4 Ų | 74.4 | 32% | 0.321 | 35% | 0.353 | S | S | . | . | trans | -141.3 | 101.7 | -174.6 | -78.5 | -14.4 | 0 | 0 | 0 | 107.1 | I152 G153 L154 | I152-N187 HydrophobicContact CG2-CB 4.36Å; I152-N187 CarbonylContact O-C 3.54Å; G153-N187 VanDerWaalsContact CA-C 3.49Å; L154-N187 WeakPolarHBondContact O-CA 3.39Å; L154-N187 PolarHBondContact O-N 2.76Å | ||
| 188 | Y | 50.1 | Low | 52 | Low | 66 Ų | 66 | 73 Ų | 73 | 26% | 0.259 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -94.4 | 138.3 | 161.6 | -64.4 | -88.4 | 0 | 0 | 0 | 111 | I152 G153 L154 I159 T190 L228 | I152-Y188 CarbonylContact C-O 3.56Å; I152-Y188 CarbonylContact O-C 3.11Å; G153-Y188 CarbonylContact C-O 3.25Å; G153-Y188 WeakPolarHBondContact CA-O 2.93Å; G153-Y188 PolarHBondContact N-O 2.81Å; L154-Y188 PolarHBondContact N-O 3.15Å; L154-Y188 PolarHBondContact O-N 3.3Å; I159-Y188 HydrophobicContact CD1-CD2 3.46Å; I159-Y188 VanDerWaalsContact CD1-CD2 3.46Å; I159-Y188 HydrophobicContact CD1-CE2 3.27Å; Y188-T190 PolarHBondContact O-N 3.15Å; Y188-L228 HydrophobicContact CD1-CD2 3.4Å; Y188-L228 VanDerWaalsContact CD1-CD2 3.4Å; Y188-L228 HydrophobicContact CD1-CG 4.04Å; Y188-L228 HydrophobicContact CE1-CD2 4.1Å; Y188-L228 HydrophobicContact CE1-CG 4.5Å; Y188-L228 HydrophobicContact CG-CD2 4.11Å |
| 189 | P | 59.7 | Low | 55.5 | Low | 11 Ų | 11 | 71 Ų | 71 | 7% | 0.071 | 33% | 0.33 | C | S | . | . | trans | -70.4 | 101.2 | -171.7 | 25.7 | -36 | 0 | 0 | 0 | 113.1 | W131 L151 I152 L191 L192 I224 I258 | W131-P189 WeakPolarHBondContact CZ3-O 3.44Å; L151-P189 CarbonylContact O-C 3.16Å; L151-P189 WeakPolarHBondContact O-CA 3.09Å; L151-P189 WeakPolarHBondContact O-CB 3.27Å; I152-P189 VanDerWaalsContact C-CA 3.44Å; I152-P189 WeakPolarHBondContact O-CA 3.25Å; P189-L191 PolarHBondContact O-N 2.72Å; P189-L192 HydrophobicContact CB-CD1 4.17Å; P189-L192 HydrophobicContact CB-CG 4.13Å; P189-L192 HydrophobicContact CG-CB 4.24Å; P189-L192 HydrophobicContact CG-CD1 3.42Å; P189-L192 VanDerWaalsContact CG-CD1 3.42Å; P189-L192 HydrophobicContact CG-CG 3.85Å; P189-L192 WeakPolarHBondContact O-CB 3.15Å; P189-L192 PolarHBondContact O-N 3.33Å; P189-I224 HydrophobicContact CG-CG2 4.34Å; P189-I258 HydrophobicContact CB-CG2 3.77Å | ||
| 190 | T | 66.9 | Low | 58.9 | Low | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -50.6 | -40.1 | -167 | -52.9 | 0 | 0 | 0 | 0 | 114.3 | I127 L130 W131 L150 L151 L154 Y188 L192 G193 | I127-T190 HydrophobicContact CD1-CG2 4.11Å; I127-T190 HydrophobicContact CG1-CG2 4Å; I127-T190 VanDerWaalsContact O-CG2 3.29Å; I127-T190 WeakPolarHBondContact O-CG2 3.2Å; L130-T190 HydrophobicContact CB-CG2 4.46Å; W131-T190 HydrophobicContact CB-CG2 4.46Å; W131-T190 VanDerWaalsContact CE3-O 3.25Å; L150-T190 PolarHBondContact O-OG1 2.74Å; L151-T190 PolarHBondContact O-N 3.46Å; L154-T190 HydrophobicContact CD2-CG2 4.19Å; Y188-T190 PolarHBondContact O-N 3.15Å; T190-L192 VanDerWaalsContact C-N 3.35Å; T190-L192 PolarHBondContact O-N 2.66Å; T190-G193 PolarHBondContact O-N 3.12Å |
| 191 | L | 77.7 | Confident | 62.3 | Low | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -70.7 | -25.8 | -177.8 | -65 | -175 | 0 | 0 | 0 | 113.7 | I127 L139 M141 L151 P189 G193 I194 L200 L259 P260 | I127-L191 HydrophobicContact CD1-CD2 4.42Å; L139-L191 HydrophobicContact CD2-CD2 4.07Å; M141-L191 HydrophobicContact CE-CD1 4.35Å; M141-L191 HydrophobicContact CE-CD2 3.93Å; L151-L191 HydrophobicContact CD2-CD1 3.55Å; L151-L191 HydrophobicContact CD2-CG 3.94Å; P189-L191 PolarHBondContact O-N 2.72Å; L191-G193 PolarHBondContact O-N 3.17Å; L191-I194 HydrophobicContact CD2-CD1 3.86Å; L191-I194 WeakPolarHBondContact O-CB 3.4Å; L191-I194 PolarHBondContact O-N 3.1Å; L191-L200 HydrophobicContact CD1-CD2 3.9Å; L191-L259 HydrophobicContact CD1-CD2 3.53Å; L191-P260 WeakPolarHBondContact O-CG 3.5Å |
| 192 | L | 72.2 | Confident | 65.6 | Low | 25 Ų | 25 | 51.5 Ų | 51.5 | 13% | 0.131 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -63.2 | -25.7 | 175 | -70 | -172 | 0 | 0 | 0 | 112.4 | P189 T190 I194 W221 I224 L228 I258 | P189-L192 HydrophobicContact CB-CD1 4.17Å; P189-L192 HydrophobicContact CB-CG 4.13Å; P189-L192 HydrophobicContact CG-CB 4.24Å; P189-L192 HydrophobicContact CG-CD1 3.42Å; P189-L192 VanDerWaalsContact CG-CD1 3.42Å; P189-L192 HydrophobicContact CG-CG 3.85Å; P189-L192 WeakPolarHBondContact O-CB 3.15Å; P189-L192 PolarHBondContact O-N 3.33Å; T190-L192 VanDerWaalsContact C-N 3.35Å; T190-L192 PolarHBondContact O-N 2.66Å; L192-I194 PolarHBondContact O-N 3.02Å; L192-I194 VanDerWaalsContact O-N 3.17Å; L192-W221 HydrophobicContact CD1-CH2 3.56Å; L192-W221 HydrophobicContact CD1-CZ3 3.54Å; L192-W221 HydrophobicContact CD2-CH2 3.74Å; L192-W221 HydrophobicContact CD2-CZ3 4.27Å; L192-W221 HydrophobicContact CG-CH2 4.35Å; L192-I224 HydrophobicContact CD1-CG2 4.21Å; L192-L228 HydrophobicContact CD1-CD1 4.48Å; L192-I258 VanDerWaalsContact CD2-O 3.26Å; L192-I258 WeakPolarHBondContact CD2-O 3.48Å; L192-I258 WeakPolarHBondContact CG-O 3.39Å |
| 193 | G | 70.7 | Confident | 69.1 | Low | 4 Ų | 4 | 47.7 Ų | 47.7 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -71.1 | 2.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | W131 G132 T190 L191 P195 | W131-G193 VanDerWaalsContact CZ3-N 3.26Å; G132-G193 WeakPolarHBondContact CA-O 3.31Å; G132-G193 PolarHBondContact N-O 3.39Å; G132-G193 VanDerWaalsContact N-O 3.07Å; T190-G193 PolarHBondContact O-N 3.12Å; L191-G193 PolarHBondContact O-N 3.17Å; G193-P195 VanDerWaalsContact O-CD 3.24Å; G193-P195 WeakPolarHBondContact O-CD 3.42Å |
| 194 | I | 78.8 | Confident | 72.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -116.9 | 68.4 | 178.3 | -43.4 | 176.9 | 0 | 0 | 0 | 109.1 | L130 L136 L139 L191 L192 Q196 L197 | L130-I194 HydrophobicContact CB-CD1 3.89Å; L136-I194 HydrophobicContact CB-CG2 3.79Å; L136-I194 HydrophobicContact CD2-CD1 4.37Å; L136-I194 HydrophobicContact CD2-CG2 4.14Å; L136-I194 HydrophobicContact CG-CG2 4.43Å; L139-I194 HydrophobicContact CD2-CD1 4.17Å; L191-I194 HydrophobicContact CD2-CD1 3.86Å; L191-I194 WeakPolarHBondContact O-CB 3.4Å; L191-I194 PolarHBondContact O-N 3.1Å; L192-I194 PolarHBondContact O-N 3.02Å; L192-I194 VanDerWaalsContact O-N 3.17Å; I194-Q196 PolarHBondContact O-N 3.31Å; I194-Q196 VanDerWaalsContact O-N 3.11Å; I194-L197 HydrophobicContact CB-CB 4.47Å; I194-L197 HydrophobicContact CG2-CB 4.01Å; I194-L197 HydrophobicContact CG2-CD1 4.2Å; I194-L197 WeakPolarHBondContact O-CB 2.92Å; I194-L197 PolarHBondContact O-N 2.84Å | ||
| 195 | P | 74.4 | Confident | 75.7 | Confident | 35 Ų | 35 | 31.1 Ų | 31.1 | 23% | 0.227 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -9.4 | -164.2 | 29.9 | -38.2 | 0 | 0 | 0 | 114.7 | M134 G193 K262 | M134-P195 HydrophobicContact CE-CG 3.99Å; M134-P195 HydrophobicContact SD-CG 3.7Å; G193-P195 VanDerWaalsContact O-CD 3.24Å; G193-P195 WeakPolarHBondContact O-CD 3.42Å; P195-K262 VanDerWaalsContact O-CD 3.28Å; P195-K262 WeakPolarHBondContact O-CD 3.07Å; P195-K262 PolarHBondContact O-NZ 2.89Å |
| 196 | Q | 84.3 | Confident | 78.5 | Confident | 68 Ų | 68 | 29 Ų | 29 | 32% | 0.318 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 3.7 | 178.5 | -58.1 | -61.8 | -14 | 0 | 0 | 113.4 | M134 L136 I194 R198 K262 | M134-Q196 WeakPolarHBondContact O-CB 3.46Å; M134-Q196 WeakPolarHBondContact O-CG 3.4Å; L136-Q196 CarbonylContact O-C 3.53Å; I194-Q196 PolarHBondContact O-N 3.31Å; I194-Q196 VanDerWaalsContact O-N 3.11Å; Q196-R198 PolarHBondContact O-N 3.47Å; Q196-K262 VanDerWaalsContact NE2-NZ 3.14Å |
| 197 | L | 90 | Very high | 80.6 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -62.5 | 127 | -176.3 | -161.8 | 68.9 | 0 | 0 | 0 | 111.3 | L136 L139 I194 L200 P260 K262 I263 | L136-L197 HydrophobicContact CD2-CD1 4.42Å; L136-L197 HydrophobicContact CG-CD1 4.37Å; L136-L197 WeakPolarHBondContact O-CA 3.24Å; L136-L197 PolarHBondContact O-N 3.31Å; L139-L197 HydrophobicContact CB-CD1 3.7Å; L139-L197 HydrophobicContact CB-CD2 4.47Å; L139-L197 HydrophobicContact CD2-CD2 4.5Å; I194-L197 HydrophobicContact CB-CB 4.47Å; I194-L197 HydrophobicContact CG2-CB 4.01Å; I194-L197 HydrophobicContact CG2-CD1 4.2Å; I194-L197 WeakPolarHBondContact O-CB 2.92Å; I194-L197 PolarHBondContact O-N 2.84Å; L197-L200 HydrophobicContact CD2-CB 3.98Å; L197-L200 HydrophobicContact CD2-CD1 4.14Å; L197-L200 HydrophobicContact CD2-CD2 4.17Å; L197-L200 HydrophobicContact CD2-CG 4.32Å; L197-P260 HydrophobicContact CB-CG 4.41Å; L197-K262 CarbonylContact O-C 3.58Å; L197-I263 HydrophobicContact CD2-CD1 4.45Å; L197-I263 PolarHBondContact O-N 2.92Å | ||
| 198 | R | 95.3 | Very high | 82.4 | Confident | 103 Ų | 103 | 30.5 Ų | 30.5 | 39% | 0.389 | 15% | 0.152 | S | C | . | . | trans | -114.6 | -37.2 | 179.6 | -63 | -170.5 | -171.2 | 179.9 | 2.7 | 112.2 | R137 Q196 E264 Y265 | R137-R198 PolarHBondContact O-N 3.16Å; Q196-R198 PolarHBondContact O-N 3.47Å; R198-E264 PolarHBondContact O-N 2.94Å; R198-Y265 PolarHBondContact O-N 2.84Å | ||
| 199 | F | 98 | Very high | 83.4 | Confident | 46 Ų | 46 | 28.4 Ų | 28.4 | 20% | 0.202 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.5 | 178.3 | -178.7 | -74.3 | 0 | 0 | 0 | 109 | R137 Y138 L139 N201 Y265 | R137-F199 PolarHBondContact O-N 2.89Å; Y138-F199 HydrophobicContact CD2-CB 3.78Å; Y138-F199 AromaticContact CD2-CD1 3.28Å; Y138-F199 HydrophobicContact CD2-CD1 3.28Å; Y138-F199 HydrophobicContact CD2-CD2 4.06Å; Y138-F199 AromaticContact CD2-CE1 3.82Å; Y138-F199 HydrophobicContact CD2-CE1 3.82Å; Y138-F199 HydrophobicContact CD2-CE2 4.49Å; Y138-F199 AromaticContact CD2-CG 3.44Å; Y138-F199 HydrophobicContact CD2-CG 3.44Å; Y138-F199 VanDerWaalsContact CD2-CG 3.44Å; Y138-F199 HydrophobicContact CD2-CZ 4.4Å; Y138-F199 HydrophobicContact CE1-CE1 4.47Å; Y138-F199 HydrophobicContact CE2-CB 4.49Å; Y138-F199 AromaticContact CE2-CD1 3.24Å; Y138-F199 HydrophobicContact CE2-CD1 3.24Å; Y138-F199 AromaticContact CE2-CD2 3.99Å; Y138-F199 HydrophobicContact CE2-CD2 3.99Å; Y138-F199 AromaticContact CE2-CE1 3.22Å; Y138-F199 HydrophobicContact CE2-CE1 3.22Å; Y138-F199 AromaticContact CE2-CE2 3.96Å; Y138-F199 HydrophobicContact CE2-CE2 3.96Å; Y138-F199 AromaticContact CE2-CG 3.66Å; Y138-F199 HydrophobicContact CE2-CG 3.66Å; Y138-F199 AromaticContact CE2-CZ 3.61Å; Y138-F199 HydrophobicContact CE2-CZ 3.61Å; Y138-F199 HydrophobicContact CG-CB 4.41Å; Y138-F199 AromaticContact CG-CD1 3.98Å; Y138-F199 HydrophobicContact CG-CD1 3.98Å; Y138-F199 HydrophobicContact CG-CG 4.35Å; Y138-F199 AromaticContact CZ-CD1 3.91Å; Y138-F199 AromaticContact CZ-CE1 3.6Å; L139-F199 PolarHBondContact N-O 3.3Å; F199-N201 HydrophobicContact CE1-CB 3.85Å; F199-N201 HydrophobicContact CZ-CB 4.4Å; F199-Y265 HydrophobicContact CD1-CD1 4.23Å; F199-Y265 AromaticContact CD2-CD1 3.25Å; F199-Y265 HydrophobicContact CD2-CD1 3.25Å; F199-Y265 HydrophobicContact CD2-CD2 4.21Å; F199-Y265 AromaticContact CD2-CE1 3.9Å; F199-Y265 HydrophobicContact CD2-CE1 3.9Å; F199-Y265 AromaticContact CD2-CG 3.44Å; F199-Y265 HydrophobicContact CD2-CG 3.44Å; F199-Y265 VanDerWaalsContact CD2-CG 3.44Å; F199-Y265 HydrophobicContact CE1-CD1 4.1Å; F199-Y265 HydrophobicContact CE1-CE1 4.07Å; F199-Y265 AromaticContact CE2-CD1 3.1Å; F199-Y265 HydrophobicContact CE2-CD1 3.1Å; F199-Y265 AromaticContact CE2-CD2 3.97Å; F199-Y265 HydrophobicContact CE2-CD2 3.97Å; F199-Y265 AromaticContact CE2-CE1 3.22Å; F199-Y265 HydrophobicContact CE2-CE1 3.22Å; F199-Y265 HydrophobicContact CE2-CE2 4.07Å; F199-Y265 AromaticContact CE2-CG 3.52Å; F199-Y265 HydrophobicContact CE2-CG 3.52Å; F199-Y265 AromaticContact CE2-CZ 3.72Å; F199-Y265 AromaticContact CG-CD1 3.83Å; F199-Y265 HydrophobicContact CG-CD1 3.83Å; F199-Y265 HydrophobicContact CG-CG 4.29Å; F199-Y265 AromaticContact CZ-CD1 3.56Å; F199-Y265 HydrophobicContact CZ-CD1 3.56Å; F199-Y265 AromaticContact CZ-CE1 3.31Å; F199-Y265 HydrophobicContact CZ-CE1 3.31Å; F199-Y265 HydrophobicContact CZ-CG 4.4Å; F199-Y265 AromaticContact CZ-CZ 3.98Å |
| 200 | L | 96 | Very high | 83.7 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 122.9 | 175.5 | 177.7 | 58.3 | 0 | 0 | 0 | 110.2 | L139 M141 L191 L197 L202 L259 I263 Y265 L266 N267 | L139-L200 HydrophobicContact CB-CD1 4.26Å; L139-L200 HydrophobicContact CD2-CD1 4.19Å; L139-L200 HydrophobicContact CG-CD1 4.19Å; L139-L200 WeakPolarHBondContact O-CA 3.37Å; M141-L200 HydrophobicContact CE-CD1 3.71Å; L191-L200 HydrophobicContact CD1-CD2 3.9Å; L197-L200 HydrophobicContact CD2-CB 3.98Å; L197-L200 HydrophobicContact CD2-CD1 4.14Å; L197-L200 HydrophobicContact CD2-CD2 4.17Å; L197-L200 HydrophobicContact CD2-CG 4.32Å; L200-L202 HydrophobicContact CD1-CD1 4.46Å; L200-L202 HydrophobicContact CD1-CD2 4.21Å; L200-L202 HydrophobicContact CD1-CG 3.95Å; L200-L202 HydrophobicContact CD2-CD1 3.84Å; L200-L202 HydrophobicContact CD2-CG 4.2Å; L200-L202 HydrophobicContact CG-CD1 4.12Å; L200-L202 HydrophobicContact CG-CG 3.94Å; L200-L259 HydrophobicContact CD2-CD1 4.31Å; L200-L259 HydrophobicContact CD2-CD2 3.59Å; L200-I263 HydrophobicContact CB-CD1 4.22Å; L200-I263 HydrophobicContact CD2-CD1 3.87Å; L200-Y265 PolarHBondContact N-O 2.7Å; L200-L266 HydrophobicContact CB-CD1 3.99Å; L200-L266 HydrophobicContact CD2-CD1 3.89Å; L200-L266 HydrophobicContact CG-CD1 3.92Å; L200-L266 WeakPolarHBondContact O-CA 3.42Å; L200-N267 PolarHBondContact O-N 3.02Å |
| 201 | N | 97.2 | Very high | 83.5 | Confident | 14 Ų | 14 | 32.8 Ų | 32.8 | 8% | 0.075 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 117.7 | 171.4 | -174.1 | 2.7 | 0 | 0 | 0 | 110 | L139 D140 M141 T142 F199 S203 N267 | L139-N201 PolarHBondContact O-N 3.11Å; D140-N201 HydrophobicContact CB-CB 4.3Å; D140-N201 PolarHBondContact OD1-ND2 2.62Å; D140-N201 PolarHBondContact OD2-ND2 2.65Å; M141-N201 CarbonylContact C-O 3.46Å; M141-N201 PolarHBondContact N-O 2.9Å; T142-N201 PolarHBondContact OG1-ND2 2.93Å; T142-N201 PolarHBondContact OG1-OD1 2.83Å; F199-N201 HydrophobicContact CE1-CB 3.85Å; F199-N201 HydrophobicContact CZ-CB 4.4Å; N201-S203 VanDerWaalsContact OD1-CB 3.3Å; N201-S203 WeakPolarHBondContact OD1-CB 2.93Å; N201-S203 PolarHBondContact OD1-N 2.85Å; N201-S203 PolarHBondContact OD1-OG 2.85Å; N201-N267 HydrophobicContact CB-CB 4.26Å; N201-N267 WeakPolarHBondContact OD1-CB 3.08Å; N201-N267 PolarHBondContact OD1-ND2 3.3Å |
| 202 | L | 94 | Very high | 83 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -118.9 | 13.5 | 179.3 | -72.2 | 171.6 | 0 | 0 | 0 | 111.5 | M141 L146 L151 L200 N205 L208 F212 N267 L268 C271 | M141-L202 HydrophobicContact CB-CD2 4.3Å; M141-L202 HydrophobicContact CE-CD2 3.42Å; M141-L202 VanDerWaalsContact CE-CD2 3.42Å; M141-L202 HydrophobicContact CE-CG 4.49Å; L146-L202 HydrophobicContact CD1-CD2 3.71Å; L151-L202 HydrophobicContact CD1-CD1 4.23Å; L200-L202 HydrophobicContact CD1-CD1 4.46Å; L200-L202 HydrophobicContact CD1-CD2 4.21Å; L200-L202 HydrophobicContact CD1-CG 3.95Å; L200-L202 HydrophobicContact CD2-CD1 3.84Å; L200-L202 HydrophobicContact CD2-CG 4.2Å; L200-L202 HydrophobicContact CG-CD1 4.12Å; L200-L202 HydrophobicContact CG-CG 3.94Å; L202-N205 PolarHBondContact O-ND2 3.03Å; L202-L208 HydrophobicContact CB-CD1 4.09Å; L202-L208 HydrophobicContact CD1-CD1 4.31Å; L202-L208 HydrophobicContact CD2-CD1 4.18Å; L202-L208 HydrophobicContact CG-CD1 4.45Å; L202-F212 HydrophobicContact CD1-CZ 3.95Å; L202-N267 PolarHBondContact N-O 3.44Å; L202-L268 HydrophobicContact CB-CD2 3.93Å; L202-L268 HydrophobicContact CD1-CD2 4Å; L202-C271 PolarHBondContact O-SG 3.19Å | ||
| 203 | S | 96.7 | Very high | 82.5 | Confident | 9 Ų | 9 | 35.1 Ų | 35.1 | 6% | 0.063 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 155 | -172.7 | 65.7 | 0 | 0 | 0 | 0 | 113.2 | T142 S143 N201 N205 N267 Q269 | T142-S203 CarbonylContact C-O 3.55Å; T142-S203 VanDerWaalsContact CA-O 3.31Å; T142-S203 WeakPolarHBondContact CA-O 3.42Å; T142-S203 VanDerWaalsContact CG2-OG 3.25Å; T142-S203 WeakPolarHBondContact CG2-OG 3.19Å; T142-S203 PolarHBondContact OG1-OG 3.09Å; T142-S203 VanDerWaalsContact OG1-OG 3.13Å; S143-S203 PolarHBondContact N-O 2.88Å; N201-S203 VanDerWaalsContact OD1-CB 3.3Å; N201-S203 WeakPolarHBondContact OD1-CB 2.93Å; N201-S203 PolarHBondContact OD1-N 2.85Å; N201-S203 PolarHBondContact OD1-OG 2.85Å; S203-N205 PolarHBondContact O-N 2.88Å; S203-N205 PolarHBondContact O-ND2 2.97Å; S203-N267 PolarHBondContact N-O 3.31Å; S203-Q269 CarbonylContact C-O 3.44Å; S203-Q269 WeakPolarHBondContact CA-O 3.47Å; S203-Q269 VanDerWaalsContact CB-O 3.3Å; S203-Q269 WeakPolarHBondContact CB-O 3.35Å |
| 204 | S | 95.6 | Very high | 81.8 | Confident | 51 Ų | 51 | 36 Ų | 36 | 36% | 0.357 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 31.3 | 180 | -51.8 | 0 | 0 | 0 | 0 | 114.2 | S143 P206 Q269 | S143-S204 WeakPolarHBondContact OG-CB 3.21Å; S204-P206 WeakPolarHBondContact O-CD 3.36Å; S204-Q269 PolarHBondContact N-O 3.35Å |
| 205 | N | 88 | Confident | 80.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -114.4 | 79 | 169.7 | -66.9 | -67.8 | 0 | 0 | 0 | 109.6 | M141 C144 H145 L146 L202 S203 K207 L208 | M141-N205 PolarHBondContact O-ND2 3.48Å; C144-N205 PolarHBondContact N-OD1 3Å; H145-N205 PolarHBondContact N-OD1 3.22Å; H145-N205 VanDerWaalsContact N-OD1 3.1Å; L146-N205 HydrophobicContact CB-CB 4.18Å; L146-N205 PolarHBondContact N-OD1 2.92Å; L202-N205 PolarHBondContact O-ND2 3.03Å; S203-N205 PolarHBondContact O-N 2.88Å; S203-N205 PolarHBondContact O-ND2 2.97Å; N205-K207 PolarHBondContact O-N 3.13Å; N205-K207 VanDerWaalsContact O-N 3.1Å; N205-L208 HydrophobicContact CB-CD1 3.58Å; N205-L208 HydrophobicContact CB-CG 3.79Å; N205-L208 WeakPolarHBondContact O-CB 3.49Å; N205-L208 WeakPolarHBondContact O-CG 3.45Å; N205-L208 PolarHBondContact O-N 3.37Å; N205-L208 VanDerWaalsContact O-N 3.12Å | ||
| 206 | P | 84.7 | Confident | 79.7 | Confident | 74 Ų | 74 | 36.3 Ų | 36.3 | 48% | 0.481 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -14.7 | -169.9 | 26.5 | -36.1 | 0 | 0 | 0 | 114.8 | S204 L208 N272 | S204-P206 WeakPolarHBondContact O-CD 3.36Å; P206-L208 PolarHBondContact O-N 2.92Å; P206-N272 HydrophobicContact CB-CB 4.21Å |
| 207 | K | 81.9 | Confident | 78.1 | Confident | 135 Ų | 135 | 35.3 Ų | 35.3 | 59% | 0.587 | 18% | 0.182 | S | C | * | . | B | Isolated β-bridge | trans | -83.2 | 4.8 | 176.4 | -63.5 | -179.5 | 179.1 | 177 | 0 | 113.1 | N147 S148 N205 | N147-K207 HydrophobicContact CB-CB 4.37Å; S148-K207 PolarHBondContact N-O 2.89Å; S148-K207 PolarHBondContact OG-O 2.87Å; N205-K207 PolarHBondContact O-N 3.13Å; N205-K207 VanDerWaalsContact O-N 3.1Å |
| 208 | L | 77.6 | Confident | 76.4 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -5.3 | 176.7 | -65.3 | -175.4 | 0 | 0 | 0 | 114.1 | L146 S148 L151 L202 N205 P206 N210 V211 F212 | L146-L208 HydrophobicContact CB-CD1 4.41Å; L146-L208 HydrophobicContact CB-CD2 4.03Å; L146-L208 HydrophobicContact CB-CG 4.37Å; S148-L208 WeakPolarHBondContact OG-CA 3.42Å; L151-L208 HydrophobicContact CD1-CD1 4Å; L151-L208 HydrophobicContact CD1-CD2 3.57Å; L151-L208 HydrophobicContact CD1-CG 4.35Å; L151-L208 HydrophobicContact CG-CD2 3.94Å; L202-L208 HydrophobicContact CB-CD1 4.09Å; L202-L208 HydrophobicContact CD1-CD1 4.31Å; L202-L208 HydrophobicContact CD2-CD1 4.18Å; L202-L208 HydrophobicContact CG-CD1 4.45Å; N205-L208 HydrophobicContact CB-CD1 3.58Å; N205-L208 HydrophobicContact CB-CG 3.79Å; N205-L208 WeakPolarHBondContact O-CB 3.49Å; N205-L208 WeakPolarHBondContact O-CG 3.45Å; N205-L208 PolarHBondContact O-N 3.37Å; N205-L208 VanDerWaalsContact O-N 3.12Å; P206-L208 PolarHBondContact O-N 2.92Å; L208-N210 PolarHBondContact O-N 3.03Å; L208-N210 VanDerWaalsContact O-N 3.08Å; L208-V211 PolarHBondContact O-N 3.31Å; L208-F212 HydrophobicContact CB-CE2 4.02Å; L208-F212 WeakPolarHBondContact O-CD2 3.45Å |
| 209 | S | 71.4 | Confident | 74.4 | Confident | 22 Ų | 22 | 38.5 Ų | 38.5 | 15% | 0.154 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -47 | -43.4 | -174.5 | 58.3 | 0 | 0 | 0 | 0 | 113.6 | V211 C271 N272 | S209-V211 PolarHBondContact O-N 3.31Å; S209-C271 PolarHBondContact N-O 3.01Å; S209-N272 WeakPolarHBondContact CB-O 3.38Å |
| 210 | N | 65.6 | Low | 72.2 | Confident | 98 Ų | 98 | 38.1 Ų | 38.1 | 52% | 0.524 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.8 | -32.4 | -175 | -66.1 | -1.9 | 0 | 0 | 0 | 113 | L208 F212 N213 I214 | L208-N210 PolarHBondContact O-N 3.03Å; L208-N210 VanDerWaalsContact O-N 3.08Å; N210-F212 PolarHBondContact O-N 3.1Å; N210-N213 PolarHBondContact O-N 3.24Å; N210-I214 WeakPolarHBondContact O-CD1 3.18Å; N210-I214 WeakPolarHBondContact O-CG1 3.31Å; N210-I214 PolarHBondContact O-N 2.83Å |
| 211 | V | 64 | Low | 70.2 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.5 | -37.9 | -178.9 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | S148 L151 I152 L208 S209 I258 | S148-V211 WeakPolarHBondContact O-CG2 3.37Å; S148-V211 WeakPolarHBondContact OG-CG2 3.41Å; L151-V211 HydrophobicContact CB-CG1 4.44Å; L151-V211 HydrophobicContact CB-CG2 4.47Å; L151-V211 HydrophobicContact CD1-CG1 4.21Å; L151-V211 HydrophobicContact CD1-CG2 4.33Å; I152-V211 HydrophobicContact CD1-CG2 4.29Å; L208-V211 PolarHBondContact O-N 3.31Å; S209-V211 PolarHBondContact O-N 3.31Å; V211-I258 HydrophobicContact CG1-CB 4.23Å; V211-I258 HydrophobicContact CG1-CD1 3.64Å; V211-I258 HydrophobicContact CG1-CG2 4.32Å |
| 212 | F | 67.2 | Low | 68.1 | Low | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -85.3 | -16.5 | -174.1 | -62.4 | -68.2 | 0 | 0 | 0 | 113.6 | L202 L208 N210 L259 L268 I273 F275 I276 N277 G278 L279 | L202-F212 HydrophobicContact CD1-CZ 3.95Å; L208-F212 HydrophobicContact CB-CE2 4.02Å; L208-F212 WeakPolarHBondContact O-CD2 3.45Å; N210-F212 PolarHBondContact O-N 3.1Å; F212-L259 HydrophobicContact CE1-CD1 3.75Å; F212-L259 HydrophobicContact CE1-CG 4.24Å; F212-L259 HydrophobicContact CZ-CD1 4.48Å; F212-L268 HydrophobicContact CD1-CD1 3.98Å; F212-L268 HydrophobicContact CD2-CD1 4.35Å; F212-L268 HydrophobicContact CD2-CD2 4.44Å; F212-L268 HydrophobicContact CE1-CD1 3.85Å; F212-L268 HydrophobicContact CE1-CD2 3.95Å; F212-L268 HydrophobicContact CE2-CD1 4.21Å; F212-L268 HydrophobicContact CE2-CD2 3.57Å; F212-L268 HydrophobicContact CE2-CG 4.5Å; F212-L268 HydrophobicContact CG-CD1 4.23Å; F212-L268 HydrophobicContact CZ-CD1 3.98Å; F212-L268 HydrophobicContact CZ-CD2 3.29Å; F212-L268 HydrophobicContact CZ-CG 4.29Å; F212-I273 HydrophobicContact CB-CD1 4.29Å; F212-I273 HydrophobicContact CB-CG2 4.37Å; F212-I273 HydrophobicContact CD2-CD1 3.54Å; F212-I273 HydrophobicContact CD2-CG1 4.02Å; F212-I273 HydrophobicContact CE2-CD1 4.15Å; F212-I273 HydrophobicContact CG-CD1 4.02Å; F212-F275 CarbonylContact C-O 3.52Å; F212-I276 CarbonylContact O-C 3.53Å; F212-I276 VanDerWaalsContact O-C 3.31Å; F212-I276 WeakPolarHBondContact O-CA 3.26Å; F212-N277 PolarHBondContact O-N 2.98Å; F212-N277 VanDerWaalsContact O-N 3.1Å; F212-G278 PolarHBondContact O-N 3.18Å; F212-L279 HydrophobicContact CD1-CD2 3.8Å; F212-L279 HydrophobicContact CE1-CD2 4.2Å |
| 213 | N | 61 | Low | 65.9 | Low | 70 Ų | 70 | 46.2 Ų | 46.2 | 37% | 0.374 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -77.9 | -25.2 | 171.6 | -165.1 | 17 | 0 | 0 | 0 | 112.1 | N210 F275 N277 | N210-N213 PolarHBondContact O-N 3.24Å; N213-F275 HydrophobicContact CB-CB 4.46Å; N213-F275 VanDerWaalsContact OD1-CB 3.29Å; N213-F275 WeakPolarHBondContact OD1-CB 3.28Å; N213-N277 PolarHBondContact OD1-ND2 2.8Å |
| 214 | I | 56.6 | Low | 63.7 | Low | 24 Ų | 24 | 46.2 Ų | 46.2 | 12% | 0.123 | 25% | 0.245 | C | C | . | . | trans | -68.2 | 133.6 | -179.4 | -69.7 | 156 | 0 | 0 | 0 | 110.7 | I152 N210 L216 L244 I258 G278 | I152-I214 HydrophobicContact CD1-CD1 4.09Å; N210-I214 WeakPolarHBondContact O-CD1 3.18Å; N210-I214 WeakPolarHBondContact O-CG1 3.31Å; N210-I214 PolarHBondContact O-N 2.83Å; I214-L216 HydrophobicContact CG2-CD2 4.14Å; I214-L216 HydrophobicContact CG2-CG 4.16Å; I214-L244 HydrophobicContact CB-CD2 4.35Å; I214-L244 HydrophobicContact CD1-CD2 3.62Å; I214-L244 HydrophobicContact CD1-CG 4.48Å; I214-L244 HydrophobicContact CG1-CD2 3.88Å; I214-L244 HydrophobicContact CG1-CG 4.29Å; I214-L244 HydrophobicContact CG2-CD2 3.52Å; I214-L244 HydrophobicContact CG2-CG 3.93Å; I214-I258 HydrophobicContact CD1-CD1 4.48Å; I214-I258 HydrophobicContact CG2-CD1 4.31Å; I214-G278 WeakPolarHBondContact O-CA 3.48Å; I214-G278 PolarHBondContact O-N 2.78Å | ||
| 215 | Q | 55 | Low | 61.5 | Low | 41 Ų | 41 | 46 Ų | 46 | 19% | 0.192 | 24% | 0.239 | C | C | . | . | trans | -130.3 | 116.8 | 176.6 | -158.8 | -174.2 | 10.8 | 0 | 0 | 109 | C255 N277 | Q215-C255 VanDerWaalsContact CD-SG 3.57Å; Q215-C255 HydrophobicContact CG-CB 3.34Å; Q215-C255 VanDerWaalsContact CG-SG 3.51Å; Q215-N277 HydrophobicContact CB-CB 3.85Å; Q215-N277 HydrophobicContact CG-CB 4.14Å | ||
| 216 | L | 53.5 | Low | 59.6 | Low | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -96.8 | 117.7 | -171.1 | -63.5 | 162 | 0 | 0 | 0 | 111.2 | I214 E220 W221 I224 F240 L244 C255 Y256 I258 | I214-L216 HydrophobicContact CG2-CD2 4.14Å; I214-L216 HydrophobicContact CG2-CG 4.16Å; L216-E220 VanDerWaalsContact CA-OE2 3.3Å; L216-E220 WeakPolarHBondContact CA-OE2 3.39Å; L216-E220 HydrophobicContact CB-CB 4.24Å; L216-E220 HydrophobicContact CD2-CB 4.32Å; L216-W221 HydrophobicContact CD1-CE3 4.27Å; L216-I224 HydrophobicContact CD1-CD1 3.48Å; L216-I224 VanDerWaalsContact CD1-CD1 3.48Å; L216-I224 HydrophobicContact CD2-CD1 4.15Å; L216-I224 HydrophobicContact CG-CD1 4.36Å; L216-F240 HydrophobicContact CD2-CE2 4.02Å; L216-F240 HydrophobicContact CD2-CZ 4.45Å; L216-L244 HydrophobicContact CD2-CD1 3.96Å; L216-C255 CarbonylContact O-C 3.53Å; L216-C255 WeakPolarHBondContact O-CA 3.18Å; L216-Y256 WeakPolarHBondContact CB-O 3.33Å; L216-Y256 PolarHBondContact N-O 2.82Å; L216-Y256 PolarHBondContact O-N 3.12Å; L216-I258 HydrophobicContact CD1-CG1 4.24Å |
| 217 | N | 51.1 | Low | 57.8 | Low | 47 Ų | 47 | 48 Ų | 48 | 25% | 0.251 | 25% | 0.245 | S | C | . | . | trans | -63.6 | 171.4 | 179.8 | 66.6 | 51.3 | 0 | 0 | 0 | 113.2 | N219 E220 W221 S254 | N217-N219 PolarHBondContact O-N 3.22Å; N217-N219 WeakPolarHBondContact OD1-CB 3.4Å; N217-N219 PolarHBondContact OD1-N 2.88Å; N217-N219 VanDerWaalsContact OD1-N 3.1Å; N217-E220 PolarHBondContact N-OE2 3.08Å; N217-E220 PolarHBondContact ND2-OE1 3.42Å; N217-E220 VanDerWaalsContact ND2-OE1 3.13Å; N217-E220 PolarHBondContact ND2-OE2 3.39Å; N217-E220 PolarHBondContact O-N 3.28Å; N217-E220 VanDerWaalsContact O-N 3.12Å; N217-E220 WeakPolarHBondContact OD1-CG 3.33Å; N217-E220 PolarHBondContact OD1-N 3.21Å; N217-W221 PolarHBondContact O-N 3.38Å; N217-S254 CarbonylContact C-O 3.01Å; N217-S254 WeakPolarHBondContact CA-O 3.43Å | ||
| 218 | S | 54 | Low | 56.1 | Low | 42 Ų | 42 | 43.1 Ų | 43.1 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.6 | -34.4 | -175.5 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | S222 S254 | S218-S222 WeakPolarHBondContact O-CA 3.05Å; S218-S222 WeakPolarHBondContact O-CB 3.04Å; S218-S222 PolarHBondContact O-N 3.23Å; S218-S254 WeakPolarHBondContact CA-O 3.36Å; S218-S254 VanDerWaalsContact CB-OG 3.29Å; S218-S254 WeakPolarHBondContact CB-OG 3.43Å; S218-S254 PolarHBondContact N-O 3.14Å; S218-S254 PolarHBondContact OG-OG 3.11Å |
| 219 | N | 53.8 | Low | 54.3 | Low | 127 Ų | 127 | 49.2 Ų | 49.2 | 68% | 0.679 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -68.9 | -44.7 | 176.7 | -65.7 | -20.3 | 0 | 0 | 0 | 110.2 | N217 W223 | N217-N219 PolarHBondContact O-N 3.22Å; N217-N219 WeakPolarHBondContact OD1-CB 3.4Å; N217-N219 PolarHBondContact OD1-N 2.88Å; N217-N219 VanDerWaalsContact OD1-N 3.1Å; N219-W223 WeakPolarHBondContact O-CA 3.26Å; N219-W223 WeakPolarHBondContact O-CB 3.39Å; N219-W223 PolarHBondContact O-N 3.29Å |
| 220 | E | 51.7 | Low | 52.8 | Low | 38 Ų | 38 | 53.2 Ų | 53.2 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 176 | -73.9 | 164.2 | 180 | 0 | 0 | 111.7 | L216 N217 W223 I224 | L216-E220 VanDerWaalsContact CA-OE2 3.3Å; L216-E220 WeakPolarHBondContact CA-OE2 3.39Å; L216-E220 HydrophobicContact CB-CB 4.24Å; L216-E220 HydrophobicContact CD2-CB 4.32Å; N217-E220 PolarHBondContact N-OE2 3.08Å; N217-E220 PolarHBondContact ND2-OE1 3.42Å; N217-E220 VanDerWaalsContact ND2-OE1 3.13Å; N217-E220 PolarHBondContact ND2-OE2 3.39Å; N217-E220 PolarHBondContact O-N 3.28Å; N217-E220 VanDerWaalsContact O-N 3.12Å; N217-E220 WeakPolarHBondContact OD1-CG 3.33Å; N217-E220 PolarHBondContact OD1-N 3.21Å; E220-W223 CarbonylContact O-C 3.55Å; E220-W223 WeakPolarHBondContact O-CB 3.01Å; E220-W223 PolarHBondContact O-N 2.8Å; E220-I224 VanDerWaalsContact O-CG1 3.25Å; E220-I224 WeakPolarHBondContact O-CG1 3.41Å; E220-I224 PolarHBondContact O-N 3.42Å |
| 221 | W | 53.1 | Low | 51.5 | Low | 38 Ų | 38 | 55 Ų | 55 | 14% | 0.144 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.9 | -47.3 | 177 | 179.8 | -105.4 | 0 | 0 | 0 | 112.8 | L192 L216 N217 W223 I224 Q225 Y256 G257 | L192-W221 HydrophobicContact CD1-CH2 3.56Å; L192-W221 HydrophobicContact CD1-CZ3 3.54Å; L192-W221 HydrophobicContact CD2-CH2 3.74Å; L192-W221 HydrophobicContact CD2-CZ3 4.27Å; L192-W221 HydrophobicContact CG-CH2 4.35Å; L216-W221 HydrophobicContact CD1-CE3 4.27Å; N217-W221 PolarHBondContact O-N 3.38Å; W221-W223 PolarHBondContact O-N 2.91Å; W221-I224 HydrophobicContact CE3-CD1 4.36Å; W221-I224 PolarHBondContact O-N 3.06Å; W221-Q225 HydrophobicContact CD2-CG 4.31Å; W221-Q225 HydrophobicContact CG-CG 4.47Å; W221-Q225 HydrophobicContact CZ2-CG 4.26Å; W221-Q225 WeakPolarHBondContact O-CB 3.3Å; W221-Q225 WeakPolarHBondContact O-CG 3.48Å; W221-Q225 PolarHBondContact O-N 2.88Å; W221-Y256 HydrophobicContact CB-CD1 4.32Å; W221-Y256 HydrophobicContact CB-CD2 3.07Å; W221-Y256 HydrophobicContact CB-CE2 3.65Å; W221-Y256 HydrophobicContact CB-CG 3.47Å; W221-Y256 VanDerWaalsContact CB-CG 3.47Å; W221-Y256 AromaticContact CD1-CD1 3.36Å; W221-Y256 AromaticContact CD1-CD2 3.53Å; W221-Y256 AromaticContact CD1-CE1 3.36Å; W221-Y256 AromaticContact CD1-CE2 3.54Å; W221-Y256 AromaticContact CD1-CG 3.44Å; W221-Y256 VanDerWaalsContact CD1-CG 3.44Å; W221-Y256 AromaticContact CD1-CZ 3.44Å; W221-Y256 VanDerWaalsContact CD1-CZ 3.44Å; W221-Y256 AromaticContact CD2-CD1 3.67Å; W221-Y256 HydrophobicContact CD2-CD1 3.67Å; W221-Y256 HydrophobicContact CD2-CD2 4.04Å; W221-Y256 HydrophobicContact CD2-CE1 4.43Å; W221-Y256 AromaticContact CD2-CG 3.41Å; W221-Y256 HydrophobicContact CD2-CG 3.41Å; W221-Y256 VanDerWaalsContact CD2-CG 3.41Å; W221-Y256 AromaticContact CE2-CD1 3.55Å; W221-Y256 AromaticContact CE2-CG 3.84Å; W221-Y256 HydrophobicContact CE3-CD1 4.5Å; W221-Y256 HydrophobicContact CE3-CG 4.04Å; W221-Y256 AromaticContact CG-CD1 3.53Å; W221-Y256 HydrophobicContact CG-CD1 3.53Å; W221-Y256 AromaticContact CG-CD2 3.23Å; W221-Y256 HydrophobicContact CG-CD2 3.23Å; W221-Y256 AromaticContact CG-CE1 3.97Å; W221-Y256 HydrophobicContact CG-CE1 3.97Å; W221-Y256 AromaticContact CG-CE2 3.72Å; W221-Y256 HydrophobicContact CG-CE2 3.72Å; W221-Y256 AromaticContact CG-CG 3.11Å; W221-Y256 HydrophobicContact CG-CG 3.11Å; W221-Y256 HydrophobicContact CZ2-CD1 4.27Å; W221-Y256 AromaticContact NE1-CD1 3.36Å; W221-Y256 AromaticContact NE1-CE1 3.46Å; W221-Y256 AromaticContact NE1-CG 3.84Å; W221-G257 WeakPolarHBondContact CZ3-O 3.34Å |
| 222 | S | 53.4 | Low | 50.2 | Low | 55 Ų | 55 | 63.3 Ų | 63.3 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.7 | -34.2 | 173.6 | -176.4 | 0 | 0 | 0 | 0 | 110 | S218 N226 | S218-S222 WeakPolarHBondContact O-CA 3.05Å; S218-S222 WeakPolarHBondContact O-CB 3.04Å; S218-S222 PolarHBondContact O-N 3.23Å; S222-N226 WeakPolarHBondContact O-CA 3.36Å; S222-N226 WeakPolarHBondContact O-CB 3.33Å; S222-N226 PolarHBondContact O-N 3.46Å; S222-N226 PolarHBondContact O-ND2 2.63Å; S222-N226 PolarHBondContact OG-ND2 3.2Å |
| 223 | W | 48.4 | Very low | 48.8 | Very low | 91 Ų | 91 | 69.1 Ų | 69.1 | 35% | 0.345 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 171.2 | 177.8 | 104.1 | 0 | 0 | 0 | 112.2 | N219 E220 W221 N226 N227 A236 F240 | N219-W223 WeakPolarHBondContact O-CA 3.26Å; N219-W223 WeakPolarHBondContact O-CB 3.39Å; N219-W223 PolarHBondContact O-N 3.29Å; E220-W223 CarbonylContact O-C 3.55Å; E220-W223 WeakPolarHBondContact O-CB 3.01Å; E220-W223 PolarHBondContact O-N 2.8Å; W221-W223 PolarHBondContact O-N 2.91Å; W223-N226 PolarHBondContact O-N 3.13Å; W223-N227 VanDerWaalsContact CD1-ND2 3.28Å; W223-N227 VanDerWaalsContact CG-ND2 3.26Å; W223-N227 PolarHBondContact NE1-ND2 3.47Å; W223-N227 VanDerWaalsContact NE1-ND2 3.18Å; W223-N227 VanDerWaalsContact O-CB 3.26Å; W223-N227 WeakPolarHBondContact O-CB 3.28Å; W223-N227 PolarHBondContact O-N 3.3Å; W223-N227 PolarHBondContact O-ND2 3.28Å; W223-A236 HydrophobicContact CZ2-CB 3.34Å; W223-F240 HydrophobicContact CZ3-CD2 4.2Å |
| 224 | I | 51.2 | Low | 47.7 | Very low | 9 Ų | 9 | 71.4 Ų | 71.4 | 5% | 0.046 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 176.2 | -72.5 | 164.9 | 0 | 0 | 0 | 109 | P189 L192 L216 E220 W221 N227 L228 F240 | P189-I224 HydrophobicContact CG-CG2 4.34Å; L192-I224 HydrophobicContact CD1-CG2 4.21Å; L216-I224 HydrophobicContact CD1-CD1 3.48Å; L216-I224 VanDerWaalsContact CD1-CD1 3.48Å; L216-I224 HydrophobicContact CD2-CD1 4.15Å; L216-I224 HydrophobicContact CG-CD1 4.36Å; E220-I224 VanDerWaalsContact O-CG1 3.25Å; E220-I224 WeakPolarHBondContact O-CG1 3.41Å; E220-I224 PolarHBondContact O-N 3.42Å; W221-I224 HydrophobicContact CE3-CD1 4.36Å; W221-I224 PolarHBondContact O-N 3.06Å; I224-N227 PolarHBondContact O-N 3.48Å; I224-L228 HydrophobicContact CG2-CD1 3.55Å; I224-L228 HydrophobicContact CG2-CG 4.2Å; I224-L228 WeakPolarHBondContact O-CB 3.05Å; I224-L228 WeakPolarHBondContact O-CD1 3.44Å; I224-L228 WeakPolarHBondContact O-CG 3.41Å; I224-L228 PolarHBondContact O-N 3.04Å; I224-F240 HydrophobicContact CD1-CE2 4.06Å; I224-F240 HydrophobicContact CG1-CE2 4.44Å |
| 225 | Q | 47.8 | Very low | 46.7 | Very low | 47 Ų | 47 | 76.6 Ų | 76.6 | 22% | 0.22 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.1 | -52.2 | 176.9 | -66.2 | -65.8 | -62.4 | 0 | 0 | 110.9 | W221 N227 L228 Y229 | W221-Q225 HydrophobicContact CD2-CG 4.31Å; W221-Q225 HydrophobicContact CG-CG 4.47Å; W221-Q225 HydrophobicContact CZ2-CG 4.26Å; W221-Q225 WeakPolarHBondContact O-CB 3.3Å; W221-Q225 WeakPolarHBondContact O-CG 3.48Å; W221-Q225 PolarHBondContact O-N 2.88Å; Q225-N227 VanDerWaalsContact C-N 3.29Å; Q225-N227 PolarHBondContact O-N 3.29Å; Q225-L228 WeakPolarHBondContact O-CB 3.41Å; Q225-L228 PolarHBondContact O-N 3.43Å; Q225-Y229 HydrophobicContact CB-CD2 4.44Å; Q225-Y229 HydrophobicContact CB-CE2 4.43Å; Q225-Y229 WeakPolarHBondContact O-CB 3.25Å; Q225-Y229 WeakPolarHBondContact O-CD2 3.04Å; Q225-Y229 PolarHBondContact O-N 2.88Å |
| 226 | N | 48 | Very low | 45.9 | Very low | 84 Ų | 84 | 75.4 Ų | 75.4 | 45% | 0.449 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.1 | -31.8 | -179.2 | -74 | -16 | 0 | 0 | 0 | 112.3 | S222 W223 N230 | S222-N226 WeakPolarHBondContact O-CA 3.36Å; S222-N226 WeakPolarHBondContact O-CB 3.33Å; S222-N226 PolarHBondContact O-N 3.46Å; S222-N226 PolarHBondContact O-ND2 2.63Å; S222-N226 PolarHBondContact OG-ND2 3.2Å; W223-N226 PolarHBondContact O-N 3.13Å; N226-N230 VanDerWaalsContact O-CA 3.24Å; N226-N230 WeakPolarHBondContact O-CA 3.3Å; N226-N230 WeakPolarHBondContact O-CB 3.3Å; N226-N230 PolarHBondContact O-N 3.25Å |
| 227 | N | 47.2 | Very low | 45.1 | Very low | 31 Ų | 31 | 80.1 Ų | 80.1 | 17% | 0.166 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -86.3 | -21.7 | 175.3 | -70.7 | -69 | 0 | 0 | 0 | 113.3 | W223 I224 Q225 N230 | W223-N227 VanDerWaalsContact CD1-ND2 3.28Å; W223-N227 VanDerWaalsContact CG-ND2 3.26Å; W223-N227 PolarHBondContact NE1-ND2 3.47Å; W223-N227 VanDerWaalsContact NE1-ND2 3.18Å; W223-N227 VanDerWaalsContact O-CB 3.26Å; W223-N227 WeakPolarHBondContact O-CB 3.28Å; W223-N227 PolarHBondContact O-N 3.3Å; W223-N227 PolarHBondContact O-ND2 3.28Å; I224-N227 PolarHBondContact O-N 3.48Å; Q225-N227 VanDerWaalsContact C-N 3.29Å; Q225-N227 PolarHBondContact O-N 3.29Å; N227-N230 WeakPolarHBondContact CA-O 3.5Å |
| 228 | L | 46.3 | Very low | 44.6 | Very low | 34 Ų | 34 | 85.1 Ų | 85.1 | 18% | 0.178 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -66.3 | -30.9 | 165 | -80.4 | 167.7 | 0 | 0 | 0 | 110.7 | W131 Y188 L192 I224 Q225 | W131-L228 HydrophobicContact CH2-CD2 3.46Å; W131-L228 VanDerWaalsContact CH2-CD2 3.46Å; W131-L228 HydrophobicContact CZ2-CD2 3.96Å; W131-L228 HydrophobicContact CZ3-CD2 4.44Å; Y188-L228 HydrophobicContact CD1-CD2 3.4Å; Y188-L228 VanDerWaalsContact CD1-CD2 3.4Å; Y188-L228 HydrophobicContact CD1-CG 4.04Å; Y188-L228 HydrophobicContact CE1-CD2 4.1Å; Y188-L228 HydrophobicContact CE1-CG 4.5Å; Y188-L228 HydrophobicContact CG-CD2 4.11Å; L192-L228 HydrophobicContact CD1-CD1 4.48Å; I224-L228 HydrophobicContact CG2-CD1 3.55Å; I224-L228 HydrophobicContact CG2-CG 4.2Å; I224-L228 WeakPolarHBondContact O-CB 3.05Å; I224-L228 WeakPolarHBondContact O-CD1 3.44Å; I224-L228 WeakPolarHBondContact O-CG 3.41Å; I224-L228 PolarHBondContact O-N 3.04Å; Q225-L228 WeakPolarHBondContact O-CB 3.41Å; Q225-L228 PolarHBondContact O-N 3.43Å |
| 229 | Y | 40.6 | Very low | 43.7 | Very low | 127 Ų | 127 | 90.5 Ų | 90.5 | 50% | 0.498 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -107.1 | -24.2 | -176.1 | -61.6 | -57.2 | 0 | 0 | 0 | 115.5 | L167 Q225 | L167-Y229 HydrophobicContact CD1-CD1 3.64Å; L167-Y229 HydrophobicContact CD1-CE1 3.19Å; L167-Y229 HydrophobicContact CG-CE1 4.21Å; Q225-Y229 HydrophobicContact CB-CD2 4.44Å; Q225-Y229 HydrophobicContact CB-CE2 4.43Å; Q225-Y229 WeakPolarHBondContact O-CB 3.25Å; Q225-Y229 WeakPolarHBondContact O-CD2 3.04Å; Q225-Y229 PolarHBondContact O-N 2.88Å |
| 230 | N | 39.1 | Very low | 42.9 | Very low | 107 Ų | 107 | 86.5 Ų | 86.5 | 57% | 0.572 | 42% | 0.424 | S | S | * | . | trans | -130.6 | 133.5 | -177 | -59.3 | -37.1 | 0 | 0 | 0 | 111.5 | N226 N227 | N226-N230 VanDerWaalsContact O-CA 3.24Å; N226-N230 WeakPolarHBondContact O-CA 3.3Å; N226-N230 WeakPolarHBondContact O-CB 3.3Å; N226-N230 PolarHBondContact O-N 3.25Å; N227-N230 WeakPolarHBondContact CA-O 3.5Å | ||
| 231 | N | 38.7 | Very low | 42.4 | Very low | 134 Ų | 134 | 89.1 Ų | 89.1 | 72% | 0.717 | 44% | 0.439 | S | S | * | . | trans | -115.3 | 34.7 | -145.2 | -152.3 | -3.3 | 0 | 0 | 0 | 116.4 | ||||
| 232 | E | 36.4 | Very low | 41.5 | Very low | 179 Ų | 179 | 94.5 Ų | 94.5 | 84% | 0.836 | 46% | 0.463 | S | S | * | . | trans | -132.3 | -7.2 | -168.7 | -70.9 | -164.3 | 160.8 | 0 | 0 | 120.5 | ||||
| 233 | N | 37.3 | Very low | 40.8 | Very low | 126 Ų | 126 | 93.9 Ų | 93.9 | 67% | 0.674 | 46% | 0.456 | S | S | * | . | trans | -97.8 | 115.9 | -168 | -82.2 | -34.8 | 0 | 0 | 0 | 117 | A236 | N233-A236 VanDerWaalsContact O-CB 3.31Å; N233-A236 WeakPolarHBondContact O-CB 3.15Å | ||
| 234 | L | 37.9 | Very low | 40.5 | Very low | 119 Ų | 119 | 91.5 Ų | 91.5 | 62% | 0.623 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -74.8 | -30 | 178.5 | -86.1 | 161.1 | 0 | 0 | 0 | 115.1 | A236 K237 | L234-A236 PolarHBondContact O-N 2.87Å; L234-K237 VanDerWaalsContact CD2-NZ 3.33Å |
| 235 | V | 36.1 | Very low | 39.8 | Very low | 133 Ų | 133 | 97.7 Ų | 97.7 | 81% | 0.806 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -16.6 | -175.4 | -176.1 | 0 | 0 | 0 | 0 | 112.1 | K237 | V235-K237 VanDerWaalsContact C-N 3.28Å; V235-K237 PolarHBondContact O-N 3.44Å |
| 236 | A | 37.7 | Very low | 39.1 | Very low | 15 Ų | 15 | 102 Ų | 102 | 12% | 0.124 | 51% | 0.507 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -21.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | W223 N233 L234 Q238 | W223-A236 HydrophobicContact CZ2-CB 3.34Å; N233-A236 VanDerWaalsContact O-CB 3.31Å; N233-A236 WeakPolarHBondContact O-CB 3.15Å; L234-A236 PolarHBondContact O-N 2.87Å; A236-Q238 PolarHBondContact O-N 3.28Å |
| 237 | K | 37.7 | Very low | 38.2 | Very low | 100 Ų | 100 | 103.8 Ų | 103.8 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69 | -27.5 | -170.2 | -70.1 | 174.1 | 177.6 | 171.9 | 0 | 115.5 | N182 L234 V235 | N182-K237 PolarHBondContact ND2-NZ 3.06Å; N182-K237 VanDerWaalsContact ND2-NZ 3.18Å; L234-K237 VanDerWaalsContact CD2-NZ 3.33Å; V235-K237 VanDerWaalsContact C-N 3.28Å; V235-K237 PolarHBondContact O-N 3.44Å |
| 238 | Q | 39.6 | Very low | 37.4 | Very low | 151 Ų | 151 | 109 Ų | 109 | 71% | 0.706 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -84.8 | -23.4 | -177.2 | -77.3 | -173.7 | 3.8 | 0 | 0 | 113.1 | A236 K242 | A236-Q238 PolarHBondContact O-N 3.28Å; Q238-K242 WeakPolarHBondContact O-CB 3.44Å; Q238-K242 PolarHBondContact O-N 2.95Å |
| 239 | Y | 35 | Very low | 36.7 | Very low | 155 Ų | 155 | 114.4 Ų | 114.4 | 61% | 0.608 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -73.6 | -47.2 | -172.5 | -112.2 | -97.7 | 0 | 0 | 0 | 112.8 | K242 N243 | Y239-K242 PolarHBondContact O-N 2.65Å; Y239-N243 WeakPolarHBondContact CD1-ND2 3.4Å; Y239-N243 WeakPolarHBondContact CE1-ND2 3.14Å; Y239-N243 WeakPolarHBondContact O-CB 3.24Å; Y239-N243 PolarHBondContact O-N 3.02Å |
| 240 | F | 37.8 | Very low | 36.3 | Very low | 43 Ų | 43 | 117.4 Ų | 117.4 | 19% | 0.189 | 59% | 0.589 | C | S | . | * | H | α-helix | trans | -68.3 | -40.8 | -171.8 | -155.2 | -88.6 | 0 | 0 | 0 | 113 | I152 L216 W223 I224 L244 | I152-F240 HydrophobicContact CG2-CE1 3.62Å; I152-F240 HydrophobicContact CG2-CZ 4.08Å; L216-F240 HydrophobicContact CD2-CE2 4.02Å; L216-F240 HydrophobicContact CD2-CZ 4.45Å; W223-F240 HydrophobicContact CZ3-CD2 4.2Å; I224-F240 HydrophobicContact CD1-CE2 4.06Å; I224-F240 HydrophobicContact CG1-CE2 4.44Å; F240-L244 HydrophobicContact CD1-CD2 4.46Å; F240-L244 HydrophobicContact CD2-CD1 4.35Å; F240-L244 HydrophobicContact CE1-CD2 3.76Å; F240-L244 HydrophobicContact CE2-CD1 4.19Å; F240-L244 HydrophobicContact CE2-CD2 4.39Å; F240-L244 HydrophobicContact CZ-CD1 4.33Å; F240-L244 HydrophobicContact CZ-CD2 3.73Å |
| 241 | N | 40.2 | Very low | 35.9 | Very low | 93 Ų | 93 | 118.1 Ų | 118.1 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -75.4 | -32.3 | 178.1 | -80.7 | -13 | 0 | 0 | 0 | 113.1 | ||
| 242 | K | 35.1 | Very low | 35.5 | Very low | 151 Ų | 151 | 116.8 Ų | 116.8 | 66% | 0.657 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -87.7 | -30.9 | -171.1 | -153.5 | 177.6 | -174.8 | -176.2 | 0 | 113.1 | Q238 Y239 | Q238-K242 WeakPolarHBondContact O-CB 3.44Å; Q238-K242 PolarHBondContact O-N 2.95Å; Y239-K242 PolarHBondContact O-N 2.65Å |
| 243 | N | 38.2 | Very low | 35.3 | Very low | 42 Ų | 42 | 114 Ų | 114 | 23% | 0.225 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -97.8 | -24.5 | -174.3 | -68.5 | -10.9 | 0 | 0 | 0 | 114.5 | Y239 N247 | Y239-N243 WeakPolarHBondContact CD1-ND2 3.4Å; Y239-N243 WeakPolarHBondContact CE1-ND2 3.14Å; Y239-N243 WeakPolarHBondContact O-CB 3.24Å; Y239-N243 PolarHBondContact O-N 3.02Å; N243-N247 PolarHBondContact O-N 3.49Å |
| 244 | L | 42.2 | Very low | 35.2 | Very low | 41 Ų | 41 | 109.8 Ų | 109.8 | 22% | 0.215 | 57% | 0.565 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -77.7 | -22.4 | -176.3 | -110.9 | 81 | 0 | 0 | 0 | 114.2 | I214 L216 F240 | I214-L244 HydrophobicContact CB-CD2 4.35Å; I214-L244 HydrophobicContact CD1-CD2 3.62Å; I214-L244 HydrophobicContact CD1-CG 4.48Å; I214-L244 HydrophobicContact CG1-CD2 3.88Å; I214-L244 HydrophobicContact CG1-CG 4.29Å; I214-L244 HydrophobicContact CG2-CD2 3.52Å; I214-L244 HydrophobicContact CG2-CG 3.93Å; L216-L244 HydrophobicContact CD2-CD1 3.96Å; F240-L244 HydrophobicContact CD1-CD2 4.46Å; F240-L244 HydrophobicContact CD2-CD1 4.35Å; F240-L244 HydrophobicContact CE1-CD2 3.76Å; F240-L244 HydrophobicContact CE2-CD1 4.19Å; F240-L244 HydrophobicContact CE2-CD2 4.39Å; F240-L244 HydrophobicContact CZ-CD1 4.33Å; F240-L244 HydrophobicContact CZ-CD2 3.73Å |
| 245 | L | 36.8 | Very low | 35 | Very low | 140 Ų | 140 | 104.4 Ų | 104.4 | 73% | 0.733 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -18.3 | -178.9 | -81.7 | 153 | 0 | 0 | 0 | 113.3 | ||
| 246 | D | 32.4 | Very low | 35.4 | Very low | 138 Ų | 138 | 101.6 Ų | 101.6 | 74% | 0.738 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.7 | -0.3 | -167.7 | -95.2 | -11.9 | 0 | 0 | 0 | 116.7 | D248 | D246-D248 PolarHBondContact O-N 3.42Š|
| 247 | N | 30.8 | Very low | 36.2 | Very low | 120 Ų | 120 | 101.4 Ų | 101.4 | 64% | 0.642 | 51% | 0.512 | S | S | * | . | trans | -97.2 | 86.9 | -177.7 | -75.3 | -22.1 | 0 | 0 | 0 | 113.3 | N243 | N243-N247 PolarHBondContact O-N 3.49Š| ||
| 248 | D | 29.3 | Very low | 37.6 | Very low | 140 Ų | 140 | 97.1 Ų | 97.1 | 75% | 0.749 | 49% | 0.493 | S | S | * | . | trans | -56.9 | 144 | 146.3 | -77.4 | -38.2 | 0 | 0 | 0 | 110.1 | D246 | D246-D248 PolarHBondContact O-N 3.42Š| ||
| 249 | N | 32.8 | Very low | 39.3 | Very low | 148 Ų | 148 | 90.4 Ų | 90.4 | 79% | 0.791 | 46% | 0.462 | S | S | * | . | S | Bend | trans | 72.2 | 86.6 | 159.9 | -54.6 | -38.1 | 0 | 0 | 0 | 118.2 | ||
| 250 | K | 31.1 | Very low | 41.3 | Very low | 191 Ų | 191 | 83.2 Ų | 83.2 | 83% | 0.83 | 44% | 0.435 | S | S | * | . | 168 | 93.2 | 129.5 | -91.8 | 166.2 | -174.7 | -177 | 0 | 109.7 | N252 | K250-N252 PolarHBondContact O-N 3.39Š| |||
| 251 | I | 31.8 | Very low | 43.1 | Very low | 121 Ų | 121 | 87.8 Ų | 87.8 | 62% | 0.621 | 45% | 0.452 | S | S | * | . | trans | -74.7 | 95.3 | 176.6 | -60.2 | 171.5 | 0 | 0 | 0 | 108.5 | ||||
| 252 | N | 30 | Very low | 45.2 | Very low | 106 Ų | 106 | 84.7 Ų | 84.7 | 57% | 0.567 | 43% | 0.434 | S | S | * | . | trans | -80.1 | 140.3 | 164.5 | -69.2 | -8.6 | 0 | 0 | 0 | 109 | K250 S254 C255 | K250-N252 PolarHBondContact O-N 3.39Å; N252-S254 PolarHBondContact O-N 3.33Å; N252-C255 PolarHBondContact O-SG 2.87Å | ||
| 253 | S | 32.4 | Very low | 47.9 | Very low | 121 Ų | 121 | 77.5 Ų | 77.5 | 85% | 0.846 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -71.4 | 24.6 | -165.5 | 51.2 | 0 | 0 | 0 | 0 | 117.1 | ||
| 254 | S | 34 | Very low | 50.6 | Low | 37 Ų | 37 | 79 Ų | 79 | 26% | 0.259 | 41% | 0.408 | S | S | . | . | trans | -137 | 61.2 | -176.7 | 57.4 | 0 | 0 | 0 | 0 | 112.3 | N217 S218 N252 Y256 | N217-S254 CarbonylContact C-O 3.01Å; N217-S254 WeakPolarHBondContact CA-O 3.43Å; S218-S254 WeakPolarHBondContact CA-O 3.36Å; S218-S254 VanDerWaalsContact CB-OG 3.29Å; S218-S254 WeakPolarHBondContact CB-OG 3.43Å; S218-S254 PolarHBondContact N-O 3.14Å; S218-S254 PolarHBondContact OG-OG 3.11Å; N252-S254 PolarHBondContact O-N 3.33Å; S254-Y256 WeakPolarHBondContact O-CD2 3.47Å; S254-Y256 WeakPolarHBondContact O-CE2 3.03Å | ||
| 255 | C | 34.5 | Very low | 53.3 | Low | 6 Ų | 6 | 79.8 Ų | 79.8 | 4% | 0.041 | 41% | 0.409 | C | S | . | . | trans | -124.6 | 92.3 | -151.9 | -115.9 | 0 | 0 | 0 | 0 | 113.7 | Q215 L216 N252 T280 F281 | Q215-C255 VanDerWaalsContact CD-SG 3.57Å; Q215-C255 HydrophobicContact CG-CB 3.34Å; Q215-C255 VanDerWaalsContact CG-SG 3.51Å; L216-C255 CarbonylContact O-C 3.53Å; L216-C255 WeakPolarHBondContact O-CA 3.18Å; N252-C255 PolarHBondContact O-SG 2.87Å; C255-T280 PolarHBondContact O-OG1 3.1Å; C255-F281 HydrophobicContact CB-CE2 4.22Å; C255-F281 VanDerWaalsContact N-CZ 3.32Å; C255-F281 WeakPolarHBondContact O-CD2 3.19Å; C255-F281 WeakPolarHBondContact O-CE2 3.14Å | ||
| 256 | Y | 44.3 | Very low | 56.1 | Low | 75 Ų | 75 | 73.1 Ų | 73.1 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | B | Isolated β-bridge | trans | -80.4 | 161 | -166.9 | -57.3 | -101.5 | 0 | 0 | 0 | 115 | L216 W221 S254 | L216-Y256 WeakPolarHBondContact CB-O 3.33Å; L216-Y256 PolarHBondContact N-O 2.82Å; L216-Y256 PolarHBondContact O-N 3.12Å; W221-Y256 HydrophobicContact CB-CD1 4.32Å; W221-Y256 HydrophobicContact CB-CD2 3.07Å; W221-Y256 HydrophobicContact CB-CE2 3.65Å; W221-Y256 HydrophobicContact CB-CG 3.47Å; W221-Y256 VanDerWaalsContact CB-CG 3.47Å; W221-Y256 AromaticContact CD1-CD1 3.36Å; W221-Y256 AromaticContact CD1-CD2 3.53Å; W221-Y256 AromaticContact CD1-CE1 3.36Å; W221-Y256 AromaticContact CD1-CE2 3.54Å; W221-Y256 AromaticContact CD1-CG 3.44Å; W221-Y256 VanDerWaalsContact CD1-CG 3.44Å; W221-Y256 AromaticContact CD1-CZ 3.44Å; W221-Y256 VanDerWaalsContact CD1-CZ 3.44Å; W221-Y256 AromaticContact CD2-CD1 3.67Å; W221-Y256 HydrophobicContact CD2-CD1 3.67Å; W221-Y256 HydrophobicContact CD2-CD2 4.04Å; W221-Y256 HydrophobicContact CD2-CE1 4.43Å; W221-Y256 AromaticContact CD2-CG 3.41Å; W221-Y256 HydrophobicContact CD2-CG 3.41Å; W221-Y256 VanDerWaalsContact CD2-CG 3.41Å; W221-Y256 AromaticContact CE2-CD1 3.55Å; W221-Y256 AromaticContact CE2-CG 3.84Å; W221-Y256 HydrophobicContact CE3-CD1 4.5Å; W221-Y256 HydrophobicContact CE3-CG 4.04Å; W221-Y256 AromaticContact CG-CD1 3.53Å; W221-Y256 HydrophobicContact CG-CD1 3.53Å; W221-Y256 AromaticContact CG-CD2 3.23Å; W221-Y256 HydrophobicContact CG-CD2 3.23Å; W221-Y256 AromaticContact CG-CE1 3.97Å; W221-Y256 HydrophobicContact CG-CE1 3.97Å; W221-Y256 AromaticContact CG-CE2 3.72Å; W221-Y256 HydrophobicContact CG-CE2 3.72Å; W221-Y256 AromaticContact CG-CG 3.11Å; W221-Y256 HydrophobicContact CG-CG 3.11Å; W221-Y256 HydrophobicContact CZ2-CD1 4.27Å; W221-Y256 AromaticContact NE1-CD1 3.36Å; W221-Y256 AromaticContact NE1-CE1 3.46Å; W221-Y256 AromaticContact NE1-CG 3.84Å; S254-Y256 WeakPolarHBondContact O-CD2 3.47Å; S254-Y256 WeakPolarHBondContact O-CE2 3.03Å |
| 257 | G | 54.1 | Low | 59.2 | Low | 10 Ų | 10 | 67 Ų | 67 | 10% | 0.103 | 34% | 0.341 | C | S | . | . | trans | -106.2 | 165.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | W221 L259 G278 | W221-G257 WeakPolarHBondContact CZ3-O 3.34Å; G257-L259 VanDerWaalsContact C-N 3.29Å; G257-L259 PolarHBondContact O-N 2.95Å; G257-G278 WeakPolarHBondContact CA-O 3.48Å | ||
| 258 | I | 66.5 | Low | 62.2 | Low | 10 Ų | 10 | 61.3 Ų | 61.3 | 5% | 0.051 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -80.3 | -11.3 | -179.4 | -67.2 | 154.7 | 0 | 0 | 0 | 112.5 | I152 P189 L192 V211 I214 L216 | I152-I258 HydrophobicContact CD1-CD1 4.31Å; I152-I258 HydrophobicContact CG1-CD1 3.79Å; P189-I258 HydrophobicContact CB-CG2 3.77Å; L192-I258 VanDerWaalsContact CD2-O 3.26Å; L192-I258 WeakPolarHBondContact CD2-O 3.48Å; L192-I258 WeakPolarHBondContact CG-O 3.39Å; V211-I258 HydrophobicContact CG1-CB 4.23Å; V211-I258 HydrophobicContact CG1-CD1 3.64Å; V211-I258 HydrophobicContact CG1-CG2 4.32Å; I214-I258 HydrophobicContact CD1-CD1 4.48Å; I214-I258 HydrophobicContact CG2-CD1 4.31Å; L216-I258 HydrophobicContact CD1-CG1 4.24Å |
| 259 | L | 76.3 | Confident | 65.4 | Low | 11 Ų | 11 | 57.1 Ų | 57.1 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -91.8 | 148.5 | 179.5 | -67.9 | -175.8 | 0 | 0 | 0 | 112.5 | L191 L200 F212 G257 Y261 I263 L266 L279 M282 | L191-L259 HydrophobicContact CD1-CD2 3.53Å; L200-L259 HydrophobicContact CD2-CD1 4.31Å; L200-L259 HydrophobicContact CD2-CD2 3.59Å; F212-L259 HydrophobicContact CE1-CD1 3.75Å; F212-L259 HydrophobicContact CE1-CG 4.24Å; F212-L259 HydrophobicContact CZ-CD1 4.48Å; G257-L259 VanDerWaalsContact C-N 3.29Å; G257-L259 PolarHBondContact O-N 2.95Å; L259-Y261 PolarHBondContact O-N 2.77Å; L259-I263 HydrophobicContact CB-CD1 3.96Å; L259-I263 HydrophobicContact CD1-CD1 4.29Å; L259-L266 HydrophobicContact CD1-CD1 3.93Å; L259-L266 HydrophobicContact CD1-CD2 3.6Å; L259-L266 HydrophobicContact CD1-CG 4.45Å; L259-L279 HydrophobicContact CD1-CD2 4.32Å; L259-M282 HydrophobicContact CB-SD 4.1Å; L259-M282 HydrophobicContact CD1-SD 4.05Å |
| 260 | P | 76.5 | Confident | 68.3 | Low | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | trans | -53.5 | 132.8 | 170.6 | -29.2 | 35.1 | 0 | 0 | 0 | 113.5 | L191 L197 K262 I263 | L191-P260 WeakPolarHBondContact O-CG 3.5Å; L197-P260 HydrophobicContact CB-CG 4.41Å; P260-K262 PolarHBondContact O-N 3.32Å; P260-K262 VanDerWaalsContact O-N 3.14Å; P260-I263 HydrophobicContact CB-CD1 4.35Å; P260-I263 HydrophobicContact CB-CG1 4.31Å; P260-I263 WeakPolarHBondContact O-CD1 3.24Å; P260-I263 WeakPolarHBondContact O-CG1 3.2Å; P260-I263 PolarHBondContact O-N 3.22Å | ||
| 261 | Y | 76.5 | Confident | 71.1 | Confident | 139 Ų | 139 | 41.8 Ų | 41.8 | 55% | 0.545 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -14.2 | -177.4 | 70.4 | -86.8 | 0 | 0 | 0 | 114.7 | L259 | L259-Y261 PolarHBondContact O-N 2.77Š|
| 262 | K | 84.6 | Confident | 73.7 | Confident | 27 Ų | 27 | 39.8 Ų | 39.8 | 12% | 0.117 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -3 | -178.4 | -68.3 | -167 | -165.4 | 146.4 | 0 | 114.6 | P195 Q196 L197 P260 E264 | P195-K262 VanDerWaalsContact O-CD 3.28Å; P195-K262 WeakPolarHBondContact O-CD 3.07Å; P195-K262 PolarHBondContact O-NZ 2.89Å; Q196-K262 VanDerWaalsContact NE2-NZ 3.14Å; L197-K262 CarbonylContact O-C 3.58Å; P260-K262 PolarHBondContact O-N 3.32Å; P260-K262 VanDerWaalsContact O-N 3.14Å; K262-E264 PolarHBondContact O-N 2.78Å |
| 263 | I | 90.5 | Very high | 76.4 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -60.9 | 131.8 | -179.5 | -66.3 | 170.4 | 0 | 0 | 0 | 110.4 | L197 L200 L259 P260 Y265 L266 R284 L285 | L197-I263 HydrophobicContact CD2-CD1 4.45Å; L197-I263 PolarHBondContact O-N 2.92Å; L200-I263 HydrophobicContact CB-CD1 4.22Å; L200-I263 HydrophobicContact CD2-CD1 3.87Å; L259-I263 HydrophobicContact CB-CD1 3.96Å; L259-I263 HydrophobicContact CD1-CD1 4.29Å; P260-I263 HydrophobicContact CB-CD1 4.35Å; P260-I263 HydrophobicContact CB-CG1 4.31Å; P260-I263 WeakPolarHBondContact O-CD1 3.24Å; P260-I263 WeakPolarHBondContact O-CG1 3.2Å; P260-I263 PolarHBondContact O-N 3.22Å; I263-Y265 VanDerWaalsContact CG2-O 3.24Å; I263-Y265 WeakPolarHBondContact CG2-O 3.28Å; I263-L266 HydrophobicContact CG2-CB 4.04Å; I263-R284 CarbonylContact O-C 3.6Å; I263-R284 VanDerWaalsContact O-C 3.3Å; I263-L285 HydrophobicContact CG2-CD1 4.05Å; I263-L285 WeakPolarHBondContact O-CA 3.29Å; I263-L285 PolarHBondContact O-N 2.85Å | ||
| 264 | E | 96 | Very high | 78.8 | Confident | 73 Ų | 73 | 31 Ų | 31 | 34% | 0.341 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -108.4 | -34.5 | 178.4 | -66.6 | 171.4 | -169.4 | 0 | 0 | 111.1 | R198 K262 R284 N286 I287 | R198-E264 PolarHBondContact O-N 2.94Å; K262-E264 PolarHBondContact O-N 2.78Å; E264-R284 WeakPolarHBondContact CA-O 3.5Å; E264-R284 HydrophobicContact CG-CB 4.39Å; E264-N286 WeakPolarHBondContact O-CA 3.44Å; E264-N286 WeakPolarHBondContact O-CB 3.12Å; E264-N286 PolarHBondContact O-N 3.36Å; E264-I287 PolarHBondContact O-N 2.98Å |
| 265 | Y | 97.8 | Very high | 80.9 | Confident | 58 Ų | 58 | 33 Ų | 33 | 23% | 0.227 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 124 | 176 | 178.1 | -79 | 0 | 0 | 0 | 109.7 | R198 F199 L200 I263 N267 I287 | R198-Y265 PolarHBondContact O-N 2.84Å; F199-Y265 HydrophobicContact CD1-CD1 4.23Å; F199-Y265 AromaticContact CD2-CD1 3.25Å; F199-Y265 HydrophobicContact CD2-CD1 3.25Å; F199-Y265 HydrophobicContact CD2-CD2 4.21Å; F199-Y265 AromaticContact CD2-CE1 3.9Å; F199-Y265 HydrophobicContact CD2-CE1 3.9Å; F199-Y265 AromaticContact CD2-CG 3.44Å; F199-Y265 HydrophobicContact CD2-CG 3.44Å; F199-Y265 VanDerWaalsContact CD2-CG 3.44Å; F199-Y265 HydrophobicContact CE1-CD1 4.1Å; F199-Y265 HydrophobicContact CE1-CE1 4.07Å; F199-Y265 AromaticContact CE2-CD1 3.1Å; F199-Y265 HydrophobicContact CE2-CD1 3.1Å; F199-Y265 AromaticContact CE2-CD2 3.97Å; F199-Y265 HydrophobicContact CE2-CD2 3.97Å; F199-Y265 AromaticContact CE2-CE1 3.22Å; F199-Y265 HydrophobicContact CE2-CE1 3.22Å; F199-Y265 HydrophobicContact CE2-CE2 4.07Å; F199-Y265 AromaticContact CE2-CG 3.52Å; F199-Y265 HydrophobicContact CE2-CG 3.52Å; F199-Y265 AromaticContact CE2-CZ 3.72Å; F199-Y265 AromaticContact CG-CD1 3.83Å; F199-Y265 HydrophobicContact CG-CD1 3.83Å; F199-Y265 HydrophobicContact CG-CG 4.29Å; F199-Y265 AromaticContact CZ-CD1 3.56Å; F199-Y265 HydrophobicContact CZ-CD1 3.56Å; F199-Y265 AromaticContact CZ-CE1 3.31Å; F199-Y265 HydrophobicContact CZ-CE1 3.31Å; F199-Y265 HydrophobicContact CZ-CG 4.4Å; F199-Y265 AromaticContact CZ-CZ 3.98Å; L200-Y265 PolarHBondContact N-O 2.7Å; I263-Y265 VanDerWaalsContact CG2-O 3.24Å; I263-Y265 WeakPolarHBondContact CG2-O 3.28Å; Y265-N267 HydrophobicContact CE1-CB 3.68Å; Y265-I287 WeakPolarHBondContact CA-O 3.43Å; Y265-I287 HydrophobicContact CD2-CB 3.71Å; Y265-I287 HydrophobicContact CD2-CD1 4.1Å; Y265-I287 HydrophobicContact CD2-CG1 4.44Å; Y265-I287 HydrophobicContact CD2-CG2 3.64Å; Y265-I287 HydrophobicContact CE2-CB 4.32Å; Y265-I287 HydrophobicContact CE2-CG2 3.71Å; Y265-I287 HydrophobicContact CG-CB 4.5Å |
| 266 | L | 95.8 | Very high | 83 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 123.8 | 175.1 | -176.1 | 59.8 | 0 | 0 | 0 | 110.5 | L200 L259 I263 L268 L279 M282 L285 I287 L288 N289 | L200-L266 HydrophobicContact CB-CD1 3.99Å; L200-L266 HydrophobicContact CD2-CD1 3.89Å; L200-L266 HydrophobicContact CG-CD1 3.92Å; L200-L266 WeakPolarHBondContact O-CA 3.42Å; L259-L266 HydrophobicContact CD1-CD1 3.93Å; L259-L266 HydrophobicContact CD1-CD2 3.6Å; L259-L266 HydrophobicContact CD1-CG 4.45Å; I263-L266 HydrophobicContact CG2-CB 4.04Å; L266-L268 HydrophobicContact CD1-CD2 4.1Å; L266-L268 HydrophobicContact CD1-CG 4.25Å; L266-L268 HydrophobicContact CD2-CD1 3.8Å; L266-L268 HydrophobicContact CD2-CG 4.1Å; L266-L268 HydrophobicContact CG-CD1 4.16Å; L266-L268 HydrophobicContact CG-CD2 4.28Å; L266-L268 HydrophobicContact CG-CG 3.88Å; L266-L279 HydrophobicContact CD2-CD1 4.31Å; L266-L279 HydrophobicContact CD2-CD2 4.13Å; L266-M282 HydrophobicContact CD2-CE 3.64Å; L266-M282 HydrophobicContact CD2-SD 4.28Å; L266-L285 HydrophobicContact CB-CD1 3.6Å; L266-I287 PolarHBondContact N-O 2.96Å; L266-L288 HydrophobicContact CB-CD1 4.04Å; L266-L288 HydrophobicContact CD2-CD1 4.05Å; L266-L288 HydrophobicContact CG-CD1 4.1Å; L266-L288 WeakPolarHBondContact O-CA 3.48Å; L266-N289 PolarHBondContact O-N 3Å |
| 267 | N | 97 | Very high | 84.2 | Confident | 11 Ų | 11 | 30.5 Ų | 30.5 | 6% | 0.059 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 117.5 | 172.8 | -175.1 | 4 | 0 | 0 | 0 | 110.7 | L200 N201 L202 S203 Y265 Q269 N289 | L200-N267 PolarHBondContact O-N 3.02Å; N201-N267 HydrophobicContact CB-CB 4.26Å; N201-N267 WeakPolarHBondContact OD1-CB 3.08Å; N201-N267 PolarHBondContact OD1-ND2 3.3Å; L202-N267 PolarHBondContact N-O 3.44Å; S203-N267 PolarHBondContact N-O 3.31Å; Y265-N267 HydrophobicContact CE1-CB 3.68Å; N267-Q269 VanDerWaalsContact OD1-CB 3.25Å; N267-Q269 WeakPolarHBondContact OD1-CB 3.45Å; N267-Q269 PolarHBondContact OD1-N 2.85Å; N267-N289 HydrophobicContact CB-CB 4.33Å; N267-N289 WeakPolarHBondContact OD1-CB 3.17Å; N267-N289 PolarHBondContact OD1-ND2 3.41Å |
| 268 | L | 94.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -123.4 | 25.3 | 179.5 | -62.1 | 177.5 | 0 | 0 | 0 | 111.3 | L202 F212 L266 G270 C271 I273 L279 L288 N289 L290 N293 | L202-L268 HydrophobicContact CB-CD2 3.93Å; L202-L268 HydrophobicContact CD1-CD2 4Å; F212-L268 HydrophobicContact CD1-CD1 3.98Å; F212-L268 HydrophobicContact CD2-CD1 4.35Å; F212-L268 HydrophobicContact CD2-CD2 4.44Å; F212-L268 HydrophobicContact CE1-CD1 3.85Å; F212-L268 HydrophobicContact CE1-CD2 3.95Å; F212-L268 HydrophobicContact CE2-CD1 4.21Å; F212-L268 HydrophobicContact CE2-CD2 3.57Å; F212-L268 HydrophobicContact CE2-CG 4.5Å; F212-L268 HydrophobicContact CG-CD1 4.23Å; F212-L268 HydrophobicContact CZ-CD1 3.98Å; F212-L268 HydrophobicContact CZ-CD2 3.29Å; F212-L268 HydrophobicContact CZ-CG 4.29Å; L266-L268 HydrophobicContact CD1-CD2 4.1Å; L266-L268 HydrophobicContact CD1-CG 4.25Å; L266-L268 HydrophobicContact CD2-CD1 3.8Å; L266-L268 HydrophobicContact CD2-CG 4.1Å; L266-L268 HydrophobicContact CG-CD1 4.16Å; L266-L268 HydrophobicContact CG-CD2 4.28Å; L266-L268 HydrophobicContact CG-CG 3.88Å; L268-G270 PolarHBondContact O-N 3.46Å; L268-C271 WeakPolarHBondContact O-CB 3.25Å; L268-C271 PolarHBondContact O-N 3.42Å; L268-C271 PolarHBondContact O-SG 3.32Å; L268-I273 HydrophobicContact CB-CD1 3.72Å; L268-I273 HydrophobicContact CD1-CD1 3.77Å; L268-I273 HydrophobicContact CG-CD1 4.21Å; L268-L279 HydrophobicContact CD1-CD1 4.22Å; L268-L288 HydrophobicContact CD1-CD1 4.38Å; L268-N289 CarbonylContact C-O 3.5Å; L268-N289 WeakPolarHBondContact CA-O 3.14Å; L268-N289 PolarHBondContact N-O 2.8Å; L268-L290 HydrophobicContact CB-CD2 3.97Å; L268-L290 HydrophobicContact CD1-CD2 4.08Å; L268-N293 PolarHBondContact O-ND2 3Å | ||
| 269 | Q | 97 | Very high | 85.4 | Confident | 51 Ų | 51 | 29.9 Ų | 29.9 | 24% | 0.238 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 134.5 | 177.9 | 171.6 | -179.3 | -14.8 | 0 | 0 | 110.9 | S203 S204 N267 C271 N289 S291 Q292 | S203-Q269 CarbonylContact C-O 3.44Å; S203-Q269 WeakPolarHBondContact CA-O 3.47Å; S203-Q269 VanDerWaalsContact CB-O 3.3Å; S203-Q269 WeakPolarHBondContact CB-O 3.35Å; S204-Q269 PolarHBondContact N-O 3.35Å; N267-Q269 VanDerWaalsContact OD1-CB 3.25Å; N267-Q269 WeakPolarHBondContact OD1-CB 3.45Å; N267-Q269 PolarHBondContact OD1-N 2.85Å; Q269-C271 VanDerWaalsContact C-N 3.29Å; Q269-C271 PolarHBondContact O-N 3.41Å; Q269-N289 PolarHBondContact N-O 2.87Å; Q269-N289 PolarHBondContact OE1-ND2 3.06Å; Q269-S291 CarbonylContact C-O 3.57Å; Q269-S291 WeakPolarHBondContact CA-O 3.38Å; Q269-S291 WeakPolarHBondContact CG-O 3.46Å; Q269-S291 VanDerWaalsContact CG-OG 3.28Å; Q269-S291 WeakPolarHBondContact CG-OG 3.28Å; Q269-S291 PolarHBondContact OE1-OG 3.35Å; Q269-Q292 HydrophobicContact CG-CB 4.24Å; Q269-Q292 HydrophobicContact CG-CG 4.44Å |
| 270 | G | 94.5 | Very high | 85.3 | Confident | 17 Ų | 17 | 30.2 Ų | 30.2 | 18% | 0.175 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 26.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L268 S291 Q292 | L268-G270 PolarHBondContact O-N 3.46Å; G270-S291 PolarHBondContact N-O 3.34Å; G270-Q292 VanDerWaalsContact CA-O 3.24Å; G270-Q292 WeakPolarHBondContact CA-O 3.48Å; G270-Q292 PolarHBondContact N-O 3.09Å |
| 271 | C | 88.1 | Confident | 85 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -94.4 | 6.5 | 179.4 | -70 | 0 | 0 | 0 | 0 | 113.6 | L202 S209 L268 Q269 I273 N293 | L202-C271 PolarHBondContact O-SG 3.19Å; S209-C271 PolarHBondContact N-O 3.01Å; L268-C271 WeakPolarHBondContact O-CB 3.25Å; L268-C271 PolarHBondContact O-N 3.42Å; L268-C271 PolarHBondContact O-SG 3.32Å; Q269-C271 VanDerWaalsContact C-N 3.29Å; Q269-C271 PolarHBondContact O-N 3.41Å; C271-I273 VanDerWaalsContact C-N 3.28Å; C271-I273 HydrophobicContact CB-CD1 3.67Å; C271-I273 HydrophobicContact CB-CG1 3.74Å; C271-I273 PolarHBondContact O-N 3.46Å; C271-N293 PolarHBondContact N-OD1 2.83Å |
| 272 | N | 87.5 | Confident | 85.2 | Confident | 79 Ų | 79 | 26.9 Ų | 26.9 | 42% | 0.422 | 14% | 0.137 | S | C | . | . | trans | 58.4 | 34.9 | -178.3 | -164.8 | 41.4 | 0 | 0 | 0 | 113.8 | P206 S209 N293 Q294 | P206-N272 HydrophobicContact CB-CB 4.21Å; S209-N272 WeakPolarHBondContact CB-O 3.38Å; N272-N293 PolarHBondContact N-OD1 3.16Å; N272-Q294 WeakPolarHBondContact OD1-CG 3.32Å | ||
| 273 | I | 86.4 | Confident | 85 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -82.7 | 133.7 | -174.7 | -61.2 | 169.2 | 0 | 0 | 0 | 110.6 | F212 L268 C271 F275 I276 L290 N293 Q294 I295 | F212-I273 HydrophobicContact CB-CD1 4.29Å; F212-I273 HydrophobicContact CB-CG2 4.37Å; F212-I273 HydrophobicContact CD2-CD1 3.54Å; F212-I273 HydrophobicContact CD2-CG1 4.02Å; F212-I273 HydrophobicContact CE2-CD1 4.15Å; F212-I273 HydrophobicContact CG-CD1 4.02Å; L268-I273 HydrophobicContact CB-CD1 3.72Å; L268-I273 HydrophobicContact CD1-CD1 3.77Å; L268-I273 HydrophobicContact CG-CD1 4.21Å; C271-I273 VanDerWaalsContact C-N 3.28Å; C271-I273 HydrophobicContact CB-CD1 3.67Å; C271-I273 HydrophobicContact CB-CG1 3.74Å; C271-I273 PolarHBondContact O-N 3.46Å; I273-F275 VanDerWaalsContact CG2-O 3.26Å; I273-F275 WeakPolarHBondContact CG2-O 3.38Å; I273-I276 HydrophobicContact CG2-CG2 3.61Å; I273-L290 HydrophobicContact CD1-CD2 4.06Å; I273-N293 HydrophobicContact CB-CB 4.33Å; I273-N293 PolarHBondContact N-OD1 2.98Å; I273-N293 WeakPolarHBondContact O-CB 3.3Å; I273-Q294 CarbonylContact O-C 3.41Å; I273-Q294 WeakPolarHBondContact O-CA 3.37Å; I273-Q294 PolarHBondContact O-N 2.7Å; I273-I295 PolarHBondContact O-N 3.46Å | ||
| 274 | S | 82.3 | Confident | 85 | Confident | 44 Ų | 44 | 37.9 Ų | 37.9 | 31% | 0.308 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -105.9 | -35 | 170.9 | 49 | 0 | 0 | 0 | 0 | 112.9 | Q294 | S274-Q294 WeakPolarHBondContact CA-O 3.29Š|
| 275 | F | 78.4 | Confident | 84.8 | Confident | 78 Ų | 78 | 34.4 Ų | 34.4 | 34% | 0.342 | 17% | 0.165 | S | C | . | . | trans | -133.6 | 146 | -178.7 | -63 | -89.3 | 0 | 0 | 0 | 111 | F212 N213 I273 | F212-F275 CarbonylContact C-O 3.52Å; N213-F275 HydrophobicContact CB-CB 4.46Å; N213-F275 VanDerWaalsContact OD1-CB 3.29Å; N213-F275 WeakPolarHBondContact OD1-CB 3.28Å; I273-F275 VanDerWaalsContact CG2-O 3.26Å; I273-F275 WeakPolarHBondContact CG2-O 3.38Å | ||
| 276 | I | 78.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -123.8 | 37.7 | -175.3 | 50.1 | 154.9 | 0 | 0 | 0 | 113 | F212 I273 G278 L279 L290 G300 L301 P303 L304 | F212-I276 CarbonylContact O-C 3.53Å; F212-I276 VanDerWaalsContact O-C 3.31Å; F212-I276 WeakPolarHBondContact O-CA 3.26Å; I273-I276 HydrophobicContact CG2-CG2 3.61Å; I276-G278 PolarHBondContact O-N 3.17Å; I276-G278 VanDerWaalsContact O-N 3.16Å; I276-L279 HydrophobicContact CB-CD1 4.02Å; I276-L279 HydrophobicContact CB-CG 4.06Å; I276-L279 HydrophobicContact CD1-CD1 4.44Å; I276-L279 HydrophobicContact CG2-CD1 4.12Å; I276-L279 PolarHBondContact O-N 3.25Å; I276-L290 HydrophobicContact CD1-CD1 4.12Å; I276-L290 HydrophobicContact CG2-CD1 4.2Å; I276-L290 HydrophobicContact CG2-CD2 3.97Å; I276-G300 WeakPolarHBondContact CG1-O 3.46Å; I276-G300 PolarHBondContact N-O 2.81Å; I276-L301 HydrophobicContact CD1-CD2 3.93Å; I276-L301 HydrophobicContact CG1-CD2 4.45Å; I276-P303 HydrophobicContact CG1-CB 4.47Å; I276-P303 HydrophobicContact CG1-CG 4.43Å; I276-P303 WeakPolarHBondContact O-CB 3.42Å; I276-P303 WeakPolarHBondContact O-CG 3.45Å; I276-L304 HydrophobicContact CD1-CD1 3.65Å; I276-L304 HydrophobicContact CD1-CD2 3.42Å; I276-L304 VanDerWaalsContact CD1-CD2 3.42Å; I276-L304 HydrophobicContact CD1-CG 3.33Å | ||
| 277 | N | 70.4 | Confident | 84.7 | Confident | 28 Ų | 28 | 37.1 Ų | 37.1 | 15% | 0.15 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -58 | -30.4 | -178.2 | -61.2 | -33.2 | 0 | 0 | 0 | 112.9 | F212 N213 Q215 L279 T280 P303 | F212-N277 PolarHBondContact O-N 2.98Å; F212-N277 VanDerWaalsContact O-N 3.1Å; N213-N277 PolarHBondContact OD1-ND2 2.8Å; Q215-N277 HydrophobicContact CB-CB 3.85Å; Q215-N277 HydrophobicContact CG-CB 4.14Å; N277-L279 PolarHBondContact O-N 3.16Å; N277-L279 VanDerWaalsContact O-N 3.17Å; N277-T280 WeakPolarHBondContact O-CG2 3.37Å; N277-T280 PolarHBondContact O-OG1 2.99Å; N277-P303 HydrophobicContact CB-CG 4.43Å; N277-P303 WeakPolarHBondContact OD1-CG 3.4Å |
| 278 | G | 67.3 | Low | 84.7 | Confident | 6 Ų | 6 | 36.7 Ų | 36.7 | 6% | 0.062 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -68.6 | -7.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | F212 I214 G257 I276 | F212-G278 PolarHBondContact O-N 3.18Å; I214-G278 WeakPolarHBondContact O-CA 3.48Å; I214-G278 PolarHBondContact O-N 2.78Å; G257-G278 WeakPolarHBondContact CA-O 3.48Å; I276-G278 PolarHBondContact O-N 3.17Å; I276-G278 VanDerWaalsContact O-N 3.16Å |
| 279 | L | 78.5 | Confident | 84.8 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -95.5 | -4.2 | -176.7 | -57.8 | -164.4 | 0 | 0 | 0 | 114.3 | F212 L259 L266 L268 I276 N277 F281 M282 L288 | F212-L279 HydrophobicContact CD1-CD2 3.8Å; F212-L279 HydrophobicContact CE1-CD2 4.2Å; L259-L279 HydrophobicContact CD1-CD2 4.32Å; L266-L279 HydrophobicContact CD2-CD1 4.31Å; L266-L279 HydrophobicContact CD2-CD2 4.13Å; L268-L279 HydrophobicContact CD1-CD1 4.22Å; I276-L279 HydrophobicContact CB-CD1 4.02Å; I276-L279 HydrophobicContact CB-CG 4.06Å; I276-L279 HydrophobicContact CD1-CD1 4.44Å; I276-L279 HydrophobicContact CG2-CD1 4.12Å; I276-L279 PolarHBondContact O-N 3.25Å; N277-L279 PolarHBondContact O-N 3.16Å; N277-L279 VanDerWaalsContact O-N 3.17Å; L279-F281 PolarHBondContact O-N 3.03Å; L279-M282 HydrophobicContact CB-CE 3.84Å; L279-M282 HydrophobicContact CD1-CE 4.02Å; L279-M282 HydrophobicContact CD2-CE 3.51Å; L279-M282 HydrophobicContact CD2-SD 3.99Å; L279-M282 HydrophobicContact CG-CE 3.95Å; L279-M282 PolarHBondContact O-N 2.94Å; L279-L288 HydrophobicContact CD1-CD1 4.2Å; L279-L288 HydrophobicContact CD1-CD2 3.98Å |
| 280 | T | 73.4 | Confident | 84.8 | Confident | 18 Ų | 18 | 35.2 Ų | 35.2 | 11% | 0.11 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -31 | -172.4 | 40.3 | 0 | 0 | 0 | 0 | 116.1 | C255 N277 P303 S306 | C255-T280 PolarHBondContact O-OG1 3.1Å; N277-T280 WeakPolarHBondContact O-CG2 3.37Å; N277-T280 PolarHBondContact O-OG1 2.99Å; T280-P303 HydrophobicContact CG2-CB 3.55Å; T280-P303 HydrophobicContact CG2-CG 4.09Å; T280-S306 PolarHBondContact O-OG 3.11Å |
| 281 | F | 70.2 | Confident | 84.9 | Confident | 66 Ų | 66 | 34.7 Ų | 34.7 | 29% | 0.289 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 4.1 | -173 | -71.5 | -87.1 | 0 | 0 | 0 | 115.2 | C255 L279 K283 | C255-F281 HydrophobicContact CB-CE2 4.22Å; C255-F281 VanDerWaalsContact N-CZ 3.32Å; C255-F281 WeakPolarHBondContact O-CD2 3.19Å; C255-F281 WeakPolarHBondContact O-CE2 3.14Å; L279-F281 PolarHBondContact O-N 3.03Å; F281-K283 PolarHBondContact O-N 3.31Å |
| 282 | M | 79.5 | Confident | 85.3 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | trans | -77.7 | 63.8 | 179.5 | -58.1 | -166.6 | -46.5 | 0 | 0 | 111.1 | L259 L266 L279 R284 L285 L307 | L259-M282 HydrophobicContact CB-SD 4.1Å; L259-M282 HydrophobicContact CD1-SD 4.05Å; L266-M282 HydrophobicContact CD2-CE 3.64Å; L266-M282 HydrophobicContact CD2-SD 4.28Å; L279-M282 HydrophobicContact CB-CE 3.84Å; L279-M282 HydrophobicContact CD1-CE 4.02Å; L279-M282 HydrophobicContact CD2-CE 3.51Å; L279-M282 HydrophobicContact CD2-SD 3.99Å; L279-M282 HydrophobicContact CG-CE 3.95Å; L279-M282 PolarHBondContact O-N 2.94Å; M282-R284 PolarHBondContact O-N 3.03Å; M282-L285 HydrophobicContact CB-CB 4Å; M282-L285 HydrophobicContact CE-CB 4.39Å; M282-L285 HydrophobicContact CE-CD1 4.02Å; M282-L285 HydrophobicContact CE-CD2 3.48Å; M282-L285 VanDerWaalsContact CE-CD2 3.48Å; M282-L285 HydrophobicContact CE-CG 4.16Å; M282-L285 WeakPolarHBondContact O-CB 3.36Å; M282-L285 PolarHBondContact O-N 2.98Å; M282-L307 WeakPolarHBondContact O-CD2 3.33Å | ||
| 283 | K | 82.2 | Confident | 85.6 | Confident | 133 Ų | 133 | 35.3 Ų | 35.3 | 58% | 0.578 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -17.2 | -172.5 | -66.9 | -174.7 | -179.8 | -178.3 | 0 | 114.3 | F281 C309 | F281-K283 PolarHBondContact O-N 3.31Å; K283-C309 VanDerWaalsContact O-CB 3.31Å; K283-C309 WeakPolarHBondContact O-CB 3.43Å; K283-C309 PolarHBondContact O-SG 2.9Å |
| 284 | R | 88.9 | Confident | 85.8 | Confident | 125 Ų | 125 | 39.8 Ų | 39.8 | 47% | 0.472 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -6.9 | 176.3 | -66.7 | -168.8 | 173.8 | -172.2 | -3.6 | 113.7 | I263 E264 M282 N286 | I263-R284 CarbonylContact O-C 3.6Å; I263-R284 VanDerWaalsContact O-C 3.3Å; E264-R284 WeakPolarHBondContact CA-O 3.5Å; E264-R284 HydrophobicContact CG-CB 4.39Å; M282-R284 PolarHBondContact O-N 3.03Å; R284-N286 PolarHBondContact O-N 3.04Å |
| 285 | L | 92.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -62.5 | 120.5 | -178.5 | -169.4 | 71.6 | 0 | 0 | 0 | 109.8 | I263 L266 M282 L288 L307 C309 L310 | I263-L285 HydrophobicContact CG2-CD1 4.05Å; I263-L285 WeakPolarHBondContact O-CA 3.29Å; I263-L285 PolarHBondContact O-N 2.85Å; L266-L285 HydrophobicContact CB-CD1 3.6Å; M282-L285 HydrophobicContact CB-CB 4Å; M282-L285 HydrophobicContact CE-CB 4.39Å; M282-L285 HydrophobicContact CE-CD1 4.02Å; M282-L285 HydrophobicContact CE-CD2 3.48Å; M282-L285 VanDerWaalsContact CE-CD2 3.48Å; M282-L285 HydrophobicContact CE-CG 4.16Å; M282-L285 WeakPolarHBondContact O-CB 3.36Å; M282-L285 PolarHBondContact O-N 2.98Å; L285-L288 HydrophobicContact CD2-CB 3.91Å; L285-L288 HydrophobicContact CD2-CD1 4.3Å; L285-L288 HydrophobicContact CD2-CD2 3.96Å; L285-L288 HydrophobicContact CD2-CG 4.28Å; L285-L307 HydrophobicContact CB-CD1 4.46Å; L285-L307 HydrophobicContact CD2-CD1 3.84Å; L285-C309 CarbonylContact O-C 3.28Å; L285-L310 HydrophobicContact CD2-CD1 4.16Å; L285-L310 HydrophobicContact CG-CD1 4.27Å; L285-L310 VanDerWaalsContact O-CA 3.27Å; L285-L310 WeakPolarHBondContact O-CA 3.24Å; L285-L310 PolarHBondContact O-N 3.23Å; L285-L310 VanDerWaalsContact O-N 3.15Å | ||
| 286 | N | 95.1 | Very high | 86.7 | Confident | 61 Ų | 61 | 39.3 Ų | 39.3 | 33% | 0.326 | 19% | 0.186 | S | C | . | . | trans | -109 | -41.2 | -176.7 | -176.1 | 14 | 0 | 0 | 0 | 111 | E264 R284 C309 H311 N312 | E264-N286 WeakPolarHBondContact O-CA 3.44Å; E264-N286 WeakPolarHBondContact O-CB 3.12Å; E264-N286 PolarHBondContact O-N 3.36Å; R284-N286 PolarHBondContact O-N 3.04Å; N286-C309 WeakPolarHBondContact CA-O 3.49Å; N286-H311 PolarHBondContact O-N 2.87Å; N286-H311 WeakPolarHBondContact OD1-CB 2.88Å; N286-H311 PolarHBondContact OD1-ND1 3.19Å; N286-N312 PolarHBondContact O-N 2.69Å | ||
| 287 | I | 97.1 | Very high | 87 | Confident | 55 Ų | 55 | 41.2 Ų | 41.2 | 28% | 0.282 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 123.8 | -178.1 | -53.9 | -178.9 | 0 | 0 | 0 | 109 | E264 Y265 L266 N312 | E264-I287 PolarHBondContact O-N 2.98Å; Y265-I287 WeakPolarHBondContact CA-O 3.43Å; Y265-I287 HydrophobicContact CD2-CB 3.71Å; Y265-I287 HydrophobicContact CD2-CD1 4.1Å; Y265-I287 HydrophobicContact CD2-CG1 4.44Å; Y265-I287 HydrophobicContact CD2-CG2 3.64Å; Y265-I287 HydrophobicContact CE2-CB 4.32Å; Y265-I287 HydrophobicContact CE2-CG2 3.71Å; Y265-I287 HydrophobicContact CG-CB 4.5Å; L266-I287 PolarHBondContact N-O 2.96Å; I287-N312 WeakPolarHBondContact CA-O 3.44Å; I287-N312 HydrophobicContact CB-CB 4.34Å; I287-N312 HydrophobicContact CG1-CB 4.03Å; I287-N312 HydrophobicContact CG2-CB 4.14Å |
| 288 | L | 96.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 119.4 | 176.4 | 179.5 | 57.3 | 0 | 0 | 0 | 110.2 | L266 L268 L279 L285 L290 L304 L310 N312 L313 N314 | L266-L288 HydrophobicContact CB-CD1 4.04Å; L266-L288 HydrophobicContact CD2-CD1 4.05Å; L266-L288 HydrophobicContact CG-CD1 4.1Å; L266-L288 WeakPolarHBondContact O-CA 3.48Å; L268-L288 HydrophobicContact CD1-CD1 4.38Å; L279-L288 HydrophobicContact CD1-CD1 4.2Å; L279-L288 HydrophobicContact CD1-CD2 3.98Å; L285-L288 HydrophobicContact CD2-CB 3.91Å; L285-L288 HydrophobicContact CD2-CD1 4.3Å; L285-L288 HydrophobicContact CD2-CD2 3.96Å; L285-L288 HydrophobicContact CD2-CG 4.28Å; L288-L290 HydrophobicContact CD1-CD1 4.5Å; L288-L290 HydrophobicContact CD1-CG 4.12Å; L288-L290 HydrophobicContact CD2-CD1 3.64Å; L288-L290 HydrophobicContact CD2-CG 4.14Å; L288-L290 HydrophobicContact CG-CD1 3.96Å; L288-L290 HydrophobicContact CG-CG 3.92Å; L288-L304 HydrophobicContact CD2-CD1 4.16Å; L288-L304 HydrophobicContact CD2-CD2 3.59Å; L288-L310 HydrophobicContact CB-CD1 3.8Å; L288-N312 PolarHBondContact N-O 3.4Å; L288-L313 HydrophobicContact CB-CD1 4.11Å; L288-L313 HydrophobicContact CD2-CD1 4.03Å; L288-L313 HydrophobicContact CG-CD1 4.04Å; L288-L313 WeakPolarHBondContact O-CA 2.97Å; L288-N314 PolarHBondContact O-N 2.99Å |
| 289 | N | 97.4 | Very high | 88.3 | Confident | 20 Ų | 20 | 47.3 Ų | 47.3 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 114.5 | 171 | -175.7 | 4.5 | 0 | 0 | 0 | 109.8 | L266 N267 L268 Q269 S291 N314 | L266-N289 PolarHBondContact O-N 3Å; N267-N289 HydrophobicContact CB-CB 4.33Å; N267-N289 WeakPolarHBondContact OD1-CB 3.17Å; N267-N289 PolarHBondContact OD1-ND2 3.41Å; L268-N289 CarbonylContact C-O 3.5Å; L268-N289 WeakPolarHBondContact CA-O 3.14Å; L268-N289 PolarHBondContact N-O 2.8Å; Q269-N289 PolarHBondContact N-O 2.87Å; Q269-N289 PolarHBondContact OE1-ND2 3.06Å; N289-S291 VanDerWaalsContact OD1-CB 3.32Å; N289-S291 WeakPolarHBondContact OD1-CB 3.44Å; N289-S291 PolarHBondContact OD1-N 3.4Å; N289-S291 PolarHBondContact OD1-OG 2.84Å; N289-N314 HydrophobicContact CB-CB 4.49Å |
| 290 | L | 96.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -118.3 | 18 | 176.1 | -77.9 | 168.2 | 0 | 0 | 0 | 111.4 | L268 I273 I276 L288 N293 I295 L301 L313 N314 L315 N318 | L268-L290 HydrophobicContact CB-CD2 3.97Å; L268-L290 HydrophobicContact CD1-CD2 4.08Å; I273-L290 HydrophobicContact CD1-CD2 4.06Å; I276-L290 HydrophobicContact CD1-CD1 4.12Å; I276-L290 HydrophobicContact CG2-CD1 4.2Å; I276-L290 HydrophobicContact CG2-CD2 3.97Å; L288-L290 HydrophobicContact CD1-CD1 4.5Å; L288-L290 HydrophobicContact CD1-CG 4.12Å; L288-L290 HydrophobicContact CD2-CD1 3.64Å; L288-L290 HydrophobicContact CD2-CG 4.14Å; L288-L290 HydrophobicContact CG-CD1 3.96Å; L288-L290 HydrophobicContact CG-CG 3.92Å; L290-N293 VanDerWaalsContact C-ND2 3.27Å; L290-N293 WeakPolarHBondContact CA-ND2 3.4Å; L290-N293 WeakPolarHBondContact O-CB 3.44Å; L290-N293 PolarHBondContact O-ND2 2.82Å; L290-I295 HydrophobicContact CB-CD1 4.23Å; L290-I295 HydrophobicContact CD1-CD1 4.03Å; L290-I295 HydrophobicContact CD2-CD1 4.48Å; L290-I295 HydrophobicContact CG-CD1 4.5Å; L290-L301 HydrophobicContact CD1-CD2 4.3Å; L290-L313 HydrophobicContact CD1-CD1 4.19Å; L290-N314 CarbonylContact C-O 3.56Å; L290-N314 VanDerWaalsContact C-O 3.26Å; L290-N314 VanDerWaalsContact CA-O 3.28Å; L290-N314 WeakPolarHBondContact CA-O 3.3Å; L290-N314 WeakPolarHBondContact CB-O 3.49Å; L290-N314 PolarHBondContact N-O 3.25Å; L290-L315 HydrophobicContact CB-CD2 3.86Å; L290-L315 HydrophobicContact CD1-CD2 4.16Å; L290-N318 PolarHBondContact O-ND2 2.92Å | ||
| 291 | S | 97.3 | Very high | 88.8 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | trans | -61.3 | 156.2 | 178.4 | 60.3 | 0 | 0 | 0 | 0 | 112.5 | Q269 G270 N289 N293 N314 K316 | Q269-S291 CarbonylContact C-O 3.57Å; Q269-S291 WeakPolarHBondContact CA-O 3.38Å; Q269-S291 WeakPolarHBondContact CG-O 3.46Å; Q269-S291 VanDerWaalsContact CG-OG 3.28Å; Q269-S291 WeakPolarHBondContact CG-OG 3.28Å; Q269-S291 PolarHBondContact OE1-OG 3.35Å; G270-S291 PolarHBondContact N-O 3.34Å; N289-S291 VanDerWaalsContact OD1-CB 3.32Å; N289-S291 WeakPolarHBondContact OD1-CB 3.44Å; N289-S291 PolarHBondContact OD1-N 3.4Å; N289-S291 PolarHBondContact OD1-OG 2.84Å; S291-N293 VanDerWaalsContact C-N 3.3Å; S291-N293 PolarHBondContact O-N 3.34Å; S291-N293 PolarHBondContact O-ND2 2.8Å; S291-N314 PolarHBondContact N-O 2.78Å; S291-N314 VanDerWaalsContact N-O 3.16Å; S291-K316 CarbonylContact C-O 3.58Å; S291-K316 WeakPolarHBondContact CA-O 3.39Å; S291-K316 WeakPolarHBondContact CB-O 3.4Å | ||
| 292 | Q | 96.2 | Very high | 89.4 | Confident | 93 Ų | 93 | 49.4 Ų | 49.4 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 56 | 42.5 | 179.5 | -58.5 | 174.8 | -15 | 0 | 0 | 112.9 | Q269 G270 K316 N317 | Q269-Q292 HydrophobicContact CG-CB 4.24Å; Q269-Q292 HydrophobicContact CG-CG 4.44Å; G270-Q292 VanDerWaalsContact CA-O 3.24Å; G270-Q292 WeakPolarHBondContact CA-O 3.48Å; G270-Q292 PolarHBondContact N-O 3.09Å; Q292-K316 PolarHBondContact N-O 3.06Å; Q292-N317 WeakPolarHBondContact CA-O 3.38Å; Q292-N317 HydrophobicContact CG-CB 3.9Å |
| 293 | N | 93.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -116.6 | -171.6 | 174.4 | -79.5 | -56.2 | 0 | 0 | 0 | 110 | L268 C271 N272 I273 L290 S291 N318 | L268-N293 PolarHBondContact O-ND2 3Å; C271-N293 PolarHBondContact N-OD1 2.83Å; N272-N293 PolarHBondContact N-OD1 3.16Å; I273-N293 HydrophobicContact CB-CB 4.33Å; I273-N293 PolarHBondContact N-OD1 2.98Å; I273-N293 WeakPolarHBondContact O-CB 3.3Å; L290-N293 VanDerWaalsContact C-ND2 3.27Å; L290-N293 WeakPolarHBondContact CA-ND2 3.4Å; L290-N293 WeakPolarHBondContact O-CB 3.44Å; L290-N293 PolarHBondContact O-ND2 2.82Å; S291-N293 VanDerWaalsContact C-N 3.3Å; S291-N293 PolarHBondContact O-N 3.34Å; S291-N293 PolarHBondContact O-ND2 2.8Å; N293-N318 VanDerWaalsContact CA-OD1 3.28Å; N293-N318 WeakPolarHBondContact CA-OD1 3.48Å; N293-N318 WeakPolarHBondContact CB-OD1 3.38Å; N293-N318 PolarHBondContact N-OD1 3.49Å; N293-N318 PolarHBondContact O-OD1 3.3Å; N293-N318 VanDerWaalsContact O-OD1 3.09Å |
| 294 | Q | 91.2 | Very high | 89.6 | Confident | 94 Ų | 94 | 43.2 Ų | 43.2 | 44% | 0.439 | 21% | 0.207 | S | C | . | . | trans | -115.6 | 38 | -175 | -60.9 | -58.6 | -41.7 | 0 | 0 | 111.6 | N272 I273 S274 I296 N318 | N272-Q294 WeakPolarHBondContact OD1-CG 3.32Å; I273-Q294 CarbonylContact O-C 3.41Å; I273-Q294 WeakPolarHBondContact O-CA 3.37Å; I273-Q294 PolarHBondContact O-N 2.7Å; S274-Q294 WeakPolarHBondContact CA-O 3.29Å; Q294-I296 PolarHBondContact O-N 3.04Å; Q294-N318 PolarHBondContact N-OD1 3.1Å | ||
| 295 | I | 91.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -76.3 | 113.1 | 177.7 | -58.5 | 173.6 | 0 | 0 | 0 | 108.6 | I273 L290 L301 L315 N318 P319 I320 | I273-I295 PolarHBondContact O-N 3.46Å; L290-I295 HydrophobicContact CB-CD1 4.23Å; L290-I295 HydrophobicContact CD1-CD1 4.03Å; L290-I295 HydrophobicContact CD2-CD1 4.48Å; L290-I295 HydrophobicContact CG-CD1 4.5Å; I295-L301 HydrophobicContact CD1-CD2 3.85Å; I295-L301 HydrophobicContact CG2-CD1 4.37Å; I295-L301 HydrophobicContact CG2-CD2 4.21Å; I295-L301 HydrophobicContact CG2-CG 4.01Å; I295-L315 HydrophobicContact CD1-CD2 3.86Å; I295-N318 HydrophobicContact CB-CB 4.25Å; I295-N318 WeakPolarHBondContact CB-OD1 3.27Å; I295-N318 WeakPolarHBondContact CG1-OD1 3.23Å; I295-N318 PolarHBondContact N-OD1 2.99Å; I295-P319 VanDerWaalsContact O-CD 3.3Å; I295-P319 WeakPolarHBondContact O-CD 3.41Å; I295-I320 HydrophobicContact CG2-CD1 4.48Å; I295-I320 HydrophobicContact CG2-CG2 4.44Å; I295-I320 WeakPolarHBondContact O-CB 3.09Å; I295-I320 PolarHBondContact O-N 2.97Å | ||
| 296 | I | 87.5 | Confident | 88.9 | Confident | 112 Ų | 112 | 47.5 Ų | 47.5 | 57% | 0.574 | 24% | 0.237 | S | C | * | . | trans | -87.4 | -39.2 | -173.2 | -57 | 171.9 | 0 | 0 | 0 | 111.4 | Q294 P319 I320 Q323 | Q294-I296 PolarHBondContact O-N 3.04Å; I296-P319 HydrophobicContact CG1-CG 4.46Å; I296-I320 WeakPolarHBondContact O-CA 3.21Å; I296-Q323 PolarHBondContact O-NE2 3.08Å | ||
| 297 | D | 84.9 | Confident | 88.5 | Confident | 40 Ų | 40 | 44.9 Ų | 44.9 | 21% | 0.214 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -143.4 | 175.8 | -174 | 74.9 | 2.8 | 0 | 0 | 0 | 113.3 | Q299 G300 I320 | D297-Q299 PolarHBondContact O-N 3.08Å; D297-Q299 WeakPolarHBondContact OD1-CB 3.32Å; D297-Q299 PolarHBondContact OD1-N 3.47Å; D297-Q299 WeakPolarHBondContact OD2-CG 3.47Å; D297-G300 PolarHBondContact O-N 2.95Å; D297-G300 PolarHBondContact OD1-N 2.76Å; D297-I320 VanDerWaalsContact C-CD1 3.46Å |
| 298 | H | 82.7 | Confident | 87.9 | Confident | 49 Ų | 49 | 45.5 Ų | 45.5 | 23% | 0.227 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -69.8 | -16.6 | 179.5 | 71.5 | -70.8 | 0 | 0 | 0 | 113.7 | G300 L301 M302 R329 H333 | H298-G300 VanDerWaalsContact C-N 3.31Å; H298-L301 CarbonylContact O-C 3.19Å; H298-L301 PolarHBondContact O-N 2.85Å; H298-L301 VanDerWaalsContact O-N 3.08Å; H298-M302 PolarHBondContact O-N 3.02Å; H298-R329 HydrophobicContact CB-CG 4.07Å; H298-H333 AromaticContact CD2-CD2 3.9Å; H298-H333 AromaticContact CD2-NE2 3.43Å; H298-H333 PolarHBondContact CD2-NE2 2.97Å |
| 299 | Q | 81.9 | Confident | 87.7 | Confident | 113 Ų | 113 | 48 Ų | 48 | 53% | 0.528 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -66.1 | -40.8 | 177.9 | -61.2 | -175.2 | -9.3 | 0 | 0 | 109.9 | D297 L301 M302 | D297-Q299 PolarHBondContact O-N 3.08Å; D297-Q299 WeakPolarHBondContact OD1-CB 3.32Å; D297-Q299 PolarHBondContact OD1-N 3.47Å; D297-Q299 WeakPolarHBondContact OD2-CG 3.47Å; Q299-L301 PolarHBondContact O-N 2.93Å; Q299-M302 WeakPolarHBondContact O-CB 2.95Å; Q299-M302 PolarHBondContact O-N 2.9Å; Q299-M302 VanDerWaalsContact O-N 3.1Å |
| 300 | G | 78 | Confident | 87.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -54.8 | -24.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I276 D297 H298 | I276-G300 WeakPolarHBondContact CG1-O 3.46Å; I276-G300 PolarHBondContact N-O 2.81Å; D297-G300 PolarHBondContact O-N 2.95Å; D297-G300 PolarHBondContact OD1-N 2.76Å; H298-G300 VanDerWaalsContact C-N 3.31Å |
| 301 | L | 86.1 | Confident | 87.4 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -102.2 | -4.1 | -177.8 | -61.1 | 174.4 | 0 | 0 | 0 | 114.5 | I276 L290 I295 H298 Q299 P303 L304 L315 I320 I330 | I276-L301 HydrophobicContact CD1-CD2 3.93Å; I276-L301 HydrophobicContact CG1-CD2 4.45Å; L290-L301 HydrophobicContact CD1-CD2 4.3Å; I295-L301 HydrophobicContact CD1-CD2 3.85Å; I295-L301 HydrophobicContact CG2-CD1 4.37Å; I295-L301 HydrophobicContact CG2-CD2 4.21Å; I295-L301 HydrophobicContact CG2-CG 4.01Å; H298-L301 CarbonylContact O-C 3.19Å; H298-L301 PolarHBondContact O-N 2.85Å; H298-L301 VanDerWaalsContact O-N 3.08Å; Q299-L301 PolarHBondContact O-N 2.93Å; L301-P303 VanDerWaalsContact O-N 3.14Å; L301-L304 HydrophobicContact CB-CD1 4.48Å; L301-L304 HydrophobicContact CD2-CD1 3.89Å; L301-L304 WeakPolarHBondContact O-CB 3.28Å; L301-L304 PolarHBondContact O-N 3.15Å; L301-L315 HydrophobicContact CD1-CD1 3.62Å; L301-L315 HydrophobicContact CD1-CD2 4.24Å; L301-L315 HydrophobicContact CD2-CD2 3.9Å; L301-I320 HydrophobicContact CD1-CD1 3.7Å; L301-I330 HydrophobicContact CD1-CD1 3.49Å; L301-I330 VanDerWaalsContact CD1-CD1 3.49Å |
| 302 | M | 81.8 | Confident | 87.4 | Confident | 123 Ų | 123 | 51.2 Ų | 51.2 | 61% | 0.606 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -48.3 | -39.4 | 177.2 | -90.3 | -157.1 | -175.8 | 0 | 0 | 114.1 | H298 Q299 L304 K305 | H298-M302 PolarHBondContact O-N 3.02Å; Q299-M302 WeakPolarHBondContact O-CB 2.95Å; Q299-M302 PolarHBondContact O-N 2.9Å; Q299-M302 VanDerWaalsContact O-N 3.1Å; M302-L304 PolarHBondContact O-N 2.81Å; M302-L304 VanDerWaalsContact O-N 3.08Å; M302-K305 VanDerWaalsContact O-CB 3.23Å; M302-K305 WeakPolarHBondContact O-CB 3.34Å; M302-K305 PolarHBondContact O-N 3.42Å |
| 303 | P | 77.9 | Confident | 87.4 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 5% | 0.052 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -52.1 | -28.1 | 174.8 | -34.6 | 40.7 | 0 | 0 | 0 | 115.7 | I276 N277 T280 L301 K305 S306 | I276-P303 HydrophobicContact CG1-CB 4.47Å; I276-P303 HydrophobicContact CG1-CG 4.43Å; I276-P303 WeakPolarHBondContact O-CB 3.42Å; I276-P303 WeakPolarHBondContact O-CG 3.45Å; N277-P303 HydrophobicContact CB-CG 4.43Å; N277-P303 WeakPolarHBondContact OD1-CG 3.4Å; T280-P303 HydrophobicContact CG2-CB 3.55Å; T280-P303 HydrophobicContact CG2-CG 4.09Å; L301-P303 VanDerWaalsContact O-N 3.14Å; P303-K305 VanDerWaalsContact C-N 3.26Å; P303-K305 PolarHBondContact O-N 3.03Å; P303-S306 PolarHBondContact O-OG 3.28Å |
| 304 | L | 87.5 | Confident | 87.6 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -75.2 | -16.5 | -179.5 | -56.9 | -179.7 | 0 | 0 | 0 | 112.7 | I276 L288 L301 M302 S306 L307 L310 L313 L334 | I276-L304 HydrophobicContact CD1-CD1 3.65Å; I276-L304 HydrophobicContact CD1-CD2 3.42Å; I276-L304 VanDerWaalsContact CD1-CD2 3.42Å; I276-L304 HydrophobicContact CD1-CG 3.33Å; L288-L304 HydrophobicContact CD2-CD1 4.16Å; L288-L304 HydrophobicContact CD2-CD2 3.59Å; L301-L304 HydrophobicContact CB-CD1 4.48Å; L301-L304 HydrophobicContact CD2-CD1 3.89Å; L301-L304 WeakPolarHBondContact O-CB 3.28Å; L301-L304 PolarHBondContact O-N 3.15Å; M302-L304 PolarHBondContact O-N 2.81Å; M302-L304 VanDerWaalsContact O-N 3.08Å; L304-S306 PolarHBondContact O-N 2.95Å; L304-L307 HydrophobicContact CD2-CD1 3.54Å; L304-L307 WeakPolarHBondContact O-CB 3.44Å; L304-L307 PolarHBondContact O-N 3.22Å; L304-L310 HydrophobicContact CB-CD2 4.07Å; L304-L310 HydrophobicContact CD1-CD2 4.11Å; L304-L310 HydrophobicContact CD2-CD2 4.16Å; L304-L310 HydrophobicContact CG-CD2 4.33Å; L304-L313 HydrophobicContact CD1-CD1 4.09Å; L304-L313 HydrophobicContact CD1-CD2 3.91Å; L304-L334 HydrophobicContact CB-CD1 4.1Å; L304-L334 HydrophobicContact CB-CD2 3.65Å; L304-L334 HydrophobicContact CD1-CD1 4.18Å |
| 305 | K | 85.1 | Confident | 87.8 | Confident | 151 Ų | 151 | 43.1 Ų | 43.1 | 66% | 0.657 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -62.2 | -29 | 180 | -172 | 178.7 | 177.8 | -175 | 0 | 112.3 | M302 P303 L307 L334 | M302-K305 VanDerWaalsContact O-CB 3.23Å; M302-K305 WeakPolarHBondContact O-CB 3.34Å; M302-K305 PolarHBondContact O-N 3.42Å; P303-K305 VanDerWaalsContact C-N 3.26Å; P303-K305 PolarHBondContact O-N 3.03Å; K305-L307 VanDerWaalsContact C-N 3.34Å; K305-L334 HydrophobicContact CB-CD2 4.48Å |
| 306 | S | 81.8 | Confident | 88.1 | Confident | 64 Ų | 64 | 47 Ų | 47 | 45% | 0.448 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -80.7 | -11.6 | 176.7 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | T280 P303 L304 S308 | T280-S306 PolarHBondContact O-OG 3.11Å; P303-S306 PolarHBondContact O-OG 3.28Å; L304-S306 PolarHBondContact O-N 2.95Å; S306-S308 PolarHBondContact O-N 3.18Å; S306-S308 VanDerWaalsContact O-N 3.11Å |
| 307 | L | 87 | Confident | 88.5 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | trans | -85.6 | 85.3 | -175 | -57.5 | -173.1 | 0 | 0 | 0 | 111 | M282 L285 L304 K305 C309 L310 | M282-L307 WeakPolarHBondContact O-CD2 3.33Å; L285-L307 HydrophobicContact CB-CD1 4.46Å; L285-L307 HydrophobicContact CD2-CD1 3.84Å; L304-L307 HydrophobicContact CD2-CD1 3.54Å; L304-L307 WeakPolarHBondContact O-CB 3.44Å; L304-L307 PolarHBondContact O-N 3.22Å; K305-L307 VanDerWaalsContact C-N 3.34Å; L307-C309 PolarHBondContact O-N 2.94Å; L307-L310 HydrophobicContact CB-CB 3.92Å; L307-L310 PolarHBondContact O-N 3.18Å | ||
| 308 | S | 85.2 | Confident | 89 | Confident | 68 Ų | 68 | 45.4 Ų | 45.4 | 48% | 0.476 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26.8 | -176.9 | 55.6 | 0 | 0 | 0 | 0 | 114.2 | S306 N336 | S306-S308 PolarHBondContact O-N 3.18Å; S306-S308 VanDerWaalsContact O-N 3.11Å; S308-N336 PolarHBondContact O-ND2 3.07Å |
| 309 | C | 90.1 | Very high | 89.6 | Confident | 52 Ų | 52 | 45.1 Ų | 45.1 | 35% | 0.351 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -3.8 | -179.4 | -66.2 | 0 | 0 | 0 | 0 | 114.7 | K283 L285 N286 L307 H311 | K283-C309 VanDerWaalsContact O-CB 3.31Å; K283-C309 WeakPolarHBondContact O-CB 3.43Å; K283-C309 PolarHBondContact O-SG 2.9Å; L285-C309 CarbonylContact O-C 3.28Å; N286-C309 WeakPolarHBondContact CA-O 3.49Å; L307-C309 PolarHBondContact O-N 2.94Å; C309-H311 PolarHBondContact O-N 3.25Å; C309-H311 VanDerWaalsContact O-N 3.12Å; C309-H311 PolarHBondContact O-ND1 2.87Å |
| 310 | L | 94 | Very high | 90.1 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | trans | -71.1 | 109.3 | -177.4 | -176.1 | 68 | 0 | 0 | 0 | 110.2 | L285 L288 L304 L307 L337 | L285-L310 HydrophobicContact CD2-CD1 4.16Å; L285-L310 HydrophobicContact CG-CD1 4.27Å; L285-L310 VanDerWaalsContact O-CA 3.27Å; L285-L310 WeakPolarHBondContact O-CA 3.24Å; L285-L310 PolarHBondContact O-N 3.23Å; L285-L310 VanDerWaalsContact O-N 3.15Å; L288-L310 HydrophobicContact CB-CD1 3.8Å; L304-L310 HydrophobicContact CB-CD2 4.07Å; L304-L310 HydrophobicContact CD1-CD2 4.11Å; L304-L310 HydrophobicContact CD2-CD2 4.16Å; L304-L310 HydrophobicContact CG-CD2 4.33Å; L307-L310 HydrophobicContact CB-CB 3.92Å; L307-L310 PolarHBondContact O-N 3.18Å; L310-L337 HydrophobicContact CG-CD1 4.35Å | ||
| 311 | H | 94.7 | Very high | 90.8 | Very high | 54 Ų | 54 | 41.7 Ų | 41.7 | 25% | 0.25 | 23% | 0.227 | C | C | . | . | trans | -108.5 | -28.8 | -178.9 | -62.3 | 130.9 | 0 | 0 | 0 | 113.4 | N286 C309 K338 I339 | N286-H311 PolarHBondContact O-N 2.87Å; N286-H311 WeakPolarHBondContact OD1-CB 2.88Å; N286-H311 PolarHBondContact OD1-ND1 3.19Å; C309-H311 PolarHBondContact O-N 3.25Å; C309-H311 VanDerWaalsContact O-N 3.12Å; C309-H311 PolarHBondContact O-ND1 2.87Å; H311-K338 HydrophobicContact CB-CB 4.26Å; H311-K338 HydrophobicContact CB-CD 4.02Å; H311-K338 HydrophobicContact CB-CG 4.17Å; H311-K338 VanDerWaalsContact CD2-CE 3.46Å; H311-K338 WeakPolarHBondContact CD2-CE 3.36Å; H311-K338 PolarHBondContact CD2-NZ 3.24Å; H311-K338 PolarHBondContact NE2-NZ 3.05Å; H311-K338 VanDerWaalsContact NE2-NZ 3.17Å; H311-K338 WeakPolarHBondContact O-CA 3.27Å; H311-K338 PolarHBondContact O-N 3.47Å; H311-I339 PolarHBondContact O-N 3.03Å | ||
| 312 | N | 96.9 | Very high | 91 | Very high | 35 Ų | 35 | 48.1 Ų | 48.1 | 19% | 0.187 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 122.9 | -177.8 | -170.5 | -7.2 | 0 | 0 | 0 | 110.2 | N286 I287 L288 I339 | N286-N312 PolarHBondContact O-N 2.69Å; I287-N312 WeakPolarHBondContact CA-O 3.44Å; I287-N312 HydrophobicContact CB-CB 4.34Å; I287-N312 HydrophobicContact CG1-CB 4.03Å; I287-N312 HydrophobicContact CG2-CB 4.14Å; L288-N312 PolarHBondContact N-O 3.4Å; N312-I339 WeakPolarHBondContact CA-O 3.5Å; N312-I339 HydrophobicContact CB-CB 4.28Å |
| 313 | L | 96.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 130.3 | 179.1 | 178.8 | 61.2 | 0 | 0 | 0 | 109.2 | L288 L290 L304 L315 I330 L334 L337 I339 L340 D341 | L288-L313 HydrophobicContact CB-CD1 4.11Å; L288-L313 HydrophobicContact CD2-CD1 4.03Å; L288-L313 HydrophobicContact CG-CD1 4.04Å; L288-L313 WeakPolarHBondContact O-CA 2.97Å; L290-L313 HydrophobicContact CD1-CD1 4.19Å; L304-L313 HydrophobicContact CD1-CD1 4.09Å; L304-L313 HydrophobicContact CD1-CD2 3.91Å; L313-L315 HydrophobicContact CD1-CD2 4.35Å; L313-L315 HydrophobicContact CD1-CG 4.24Å; L313-L315 HydrophobicContact CD2-CD1 3.76Å; L313-L315 HydrophobicContact CD2-CG 4.11Å; L313-L315 HydrophobicContact CG-CD1 4.13Å; L313-L315 HydrophobicContact CG-CG 3.94Å; L313-I330 HydrophobicContact CD2-CG2 4.41Å; L313-L334 HydrophobicContact CD2-CD1 3.59Å; L313-L337 HydrophobicContact CB-CD1 3.51Å; L313-L337 HydrophobicContact CB-CD2 4.17Å; L313-L337 HydrophobicContact CB-CG 4.47Å; L313-I339 PolarHBondContact N-O 3.15Å; L313-L340 HydrophobicContact CB-CD1 4.32Å; L313-L340 HydrophobicContact CD2-CD1 4.31Å; L313-L340 HydrophobicContact CG-CD1 4.27Å; L313-L340 CarbonylContact O-C 3.55Å; L313-L340 VanDerWaalsContact O-CA 3.27Å; L313-L340 WeakPolarHBondContact O-CA 3.31Å; L313-D341 PolarHBondContact O-N 3.4Å |
| 314 | N | 97 | Very high | 91.6 | Very high | 18 Ų | 18 | 51.2 Ų | 51.2 | 10% | 0.096 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.7 | 171.9 | -170 | -13.1 | 0 | 0 | 0 | 109.5 | L288 N289 L290 S291 K316 D341 | L288-N314 PolarHBondContact O-N 2.99Å; N289-N314 HydrophobicContact CB-CB 4.49Å; L290-N314 CarbonylContact C-O 3.56Å; L290-N314 VanDerWaalsContact C-O 3.26Å; L290-N314 VanDerWaalsContact CA-O 3.28Å; L290-N314 WeakPolarHBondContact CA-O 3.3Å; L290-N314 WeakPolarHBondContact CB-O 3.49Å; L290-N314 PolarHBondContact N-O 3.25Å; S291-N314 PolarHBondContact N-O 2.78Å; S291-N314 VanDerWaalsContact N-O 3.16Å; N314-K316 WeakPolarHBondContact OD1-CB 3.48Å; N314-K316 WeakPolarHBondContact OD1-CG 3.28Å; N314-K316 PolarHBondContact OD1-N 3.07Å; N314-K316 VanDerWaalsContact OD1-N 3.07Å; N314-D341 PolarHBondContact OD1-OD1 2.89Å |
| 315 | L | 96.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -124 | 6.3 | -179.2 | -69.5 | 170.1 | 0 | 0 | 0 | 111.6 | L290 I295 L301 L313 N318 C321 Y326 I330 L340 D341 | L290-L315 HydrophobicContact CB-CD2 3.86Å; L290-L315 HydrophobicContact CD1-CD2 4.16Å; I295-L315 HydrophobicContact CD1-CD2 3.86Å; L301-L315 HydrophobicContact CD1-CD1 3.62Å; L301-L315 HydrophobicContact CD1-CD2 4.24Å; L301-L315 HydrophobicContact CD2-CD2 3.9Å; L313-L315 HydrophobicContact CD1-CD2 4.35Å; L313-L315 HydrophobicContact CD1-CG 4.24Å; L313-L315 HydrophobicContact CD2-CD1 3.76Å; L313-L315 HydrophobicContact CD2-CG 4.11Å; L313-L315 HydrophobicContact CG-CD1 4.13Å; L313-L315 HydrophobicContact CG-CG 3.94Å; L315-N318 WeakPolarHBondContact O-CB 3.4Å; L315-N318 PolarHBondContact O-N 3.2Å; L315-N318 PolarHBondContact O-ND2 3.17Å; L315-C321 PolarHBondContact O-SG 3.19Å; L315-Y326 VanDerWaalsContact CB-OH 3.28Å; L315-Y326 WeakPolarHBondContact CB-OH 3.34Å; L315-Y326 HydrophobicContact CD1-CE2 4.03Å; L315-Y326 WeakPolarHBondContact CD1-OH 3.42Å; L315-I330 HydrophobicContact CD1-CD1 4.41Å; L315-I330 HydrophobicContact CD1-CG1 4.33Å; L315-L340 HydrophobicContact CD1-CD1 4.22Å; L315-D341 WeakPolarHBondContact CA-OD1 3.39Å; L315-D341 PolarHBondContact N-OD1 3.41Å | ||
| 316 | K | 96.6 | Very high | 91.8 | Very high | 81 Ų | 81 | 47.9 Ų | 47.9 | 35% | 0.352 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | 143.5 | 178.2 | -72.8 | 179.1 | 176.8 | 166.3 | 0 | 112.2 | S291 Q292 N314 N318 D341 D342 | S291-K316 CarbonylContact C-O 3.58Å; S291-K316 WeakPolarHBondContact CA-O 3.39Å; S291-K316 WeakPolarHBondContact CB-O 3.4Å; Q292-K316 PolarHBondContact N-O 3.06Å; N314-K316 WeakPolarHBondContact OD1-CB 3.48Å; N314-K316 WeakPolarHBondContact OD1-CG 3.28Å; N314-K316 PolarHBondContact OD1-N 3.07Å; N314-K316 VanDerWaalsContact OD1-N 3.07Å; K316-N318 VanDerWaalsContact C-N 3.3Å; K316-N318 PolarHBondContact O-N 3.22Å; K316-D341 HydrophobicContact CD-CB 4.44Å; K316-D341 WeakPolarHBondContact CE-O 2.98Å; K316-D341 HydrophobicContact CG-CB 3.84Å; K316-D341 PolarHBondContact N-OD1 3.48Å; K316-D341 PolarHBondContact NZ-O 2.68Å; K316-D342 IonicContact NZ-OD2 3.61Å; K316-D342 PolarHBondContact NZ-OD2 3.35Å |
| 317 | N | 95.7 | Very high | 92.3 | Very high | 114 Ų | 114 | 46.1 Ų | 46.1 | 61% | 0.61 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 40.1 | -178.5 | -48.4 | -45.3 | 0 | 0 | 0 | 112.8 | Q292 | Q292-N317 WeakPolarHBondContact CA-O 3.38Å; Q292-N317 HydrophobicContact CG-CB 3.9Å |
| 318 | N | 95.2 | Very high | 92.4 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -114 | 149 | 162.7 | -78.4 | -94.9 | 0 | 0 | 0 | 109 | L290 N293 Q294 I295 L315 K316 I320 C321 | L290-N318 PolarHBondContact O-ND2 2.92Å; N293-N318 VanDerWaalsContact CA-OD1 3.28Å; N293-N318 WeakPolarHBondContact CA-OD1 3.48Å; N293-N318 WeakPolarHBondContact CB-OD1 3.38Å; N293-N318 PolarHBondContact N-OD1 3.49Å; N293-N318 PolarHBondContact O-OD1 3.3Å; N293-N318 VanDerWaalsContact O-OD1 3.09Å; Q294-N318 PolarHBondContact N-OD1 3.1Å; I295-N318 HydrophobicContact CB-CB 4.25Å; I295-N318 WeakPolarHBondContact CB-OD1 3.27Å; I295-N318 WeakPolarHBondContact CG1-OD1 3.23Å; I295-N318 PolarHBondContact N-OD1 2.99Å; L315-N318 WeakPolarHBondContact O-CB 3.4Å; L315-N318 PolarHBondContact O-N 3.2Å; L315-N318 PolarHBondContact O-ND2 3.17Å; K316-N318 VanDerWaalsContact C-N 3.3Å; K316-N318 PolarHBondContact O-N 3.22Å; N318-I320 HydrophobicContact CB-CG2 3.85Å; N318-I320 PolarHBondContact O-N 2.88Å; N318-I320 VanDerWaalsContact O-N 3.07Å; N318-C321 VanDerWaalsContact O-CB 3.3Å; N318-C321 WeakPolarHBondContact O-CB 3.44Å; N318-C321 PolarHBondContact O-N 2.78Å |
| 319 | P | 95.5 | Very high | 92.5 | Very high | 43 Ų | 43 | 47 Ų | 47 | 28% | 0.279 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -56.8 | -25.7 | 178.6 | -22.3 | 29 | 0 | 0 | 0 | 114.4 | I295 I296 C321 D322 | I295-P319 VanDerWaalsContact O-CD 3.3Å; I295-P319 WeakPolarHBondContact O-CD 3.41Å; I296-P319 HydrophobicContact CG1-CG 4.46Å; P319-C321 PolarHBondContact O-N 3.25Å; P319-D322 PolarHBondContact O-N 3.01Å |
| 320 | I | 93.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -58.6 | -28.6 | 174.1 | -160.8 | -178.7 | 0 | 0 | 0 | 113 | I295 I296 D297 L301 N318 D322 Q323 Y326 I330 | I295-I320 HydrophobicContact CG2-CD1 4.48Å; I295-I320 HydrophobicContact CG2-CG2 4.44Å; I295-I320 WeakPolarHBondContact O-CB 3.09Å; I295-I320 PolarHBondContact O-N 2.97Å; I296-I320 WeakPolarHBondContact O-CA 3.21Å; D297-I320 VanDerWaalsContact C-CD1 3.46Å; L301-I320 HydrophobicContact CD1-CD1 3.7Å; N318-I320 HydrophobicContact CB-CG2 3.85Å; N318-I320 PolarHBondContact O-N 2.88Å; N318-I320 VanDerWaalsContact O-N 3.07Å; I320-D322 PolarHBondContact O-N 3.19Å; I320-Q323 WeakPolarHBondContact O-CB 3.47Å; I320-Q323 PolarHBondContact O-N 3.27Å; I320-Q323 VanDerWaalsContact O-N 3.17Å; I320-Y326 HydrophobicContact CB-CD2 4.42Å; I320-Y326 HydrophobicContact CD1-CD2 4.11Å; I320-Y326 HydrophobicContact CD1-CE2 4.19Å; I320-Y326 HydrophobicContact CG1-CD2 3.82Å; I320-Y326 HydrophobicContact CG1-CE2 4.21Å; I320-Y326 HydrophobicContact CG2-CD2 4.12Å; I320-Y326 HydrophobicContact CG2-CE2 3.8Å; I320-Y326 WeakPolarHBondContact O-CB 3.36Å; I320-Y326 WeakPolarHBondContact O-CD2 3.45Å; I320-I330 HydrophobicContact CD1-CD1 3.87Å |
| 321 | C | 91.6 | Very high | 92.5 | Very high | 40 Ų | 40 | 44.6 Ų | 44.6 | 27% | 0.27 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -65.8 | -25.3 | 180 | -65 | 0 | 0 | 0 | 0 | 112.8 | L315 N318 P319 Q323 | L315-C321 PolarHBondContact O-SG 3.19Å; N318-C321 VanDerWaalsContact O-CB 3.3Å; N318-C321 WeakPolarHBondContact O-CB 3.44Å; N318-C321 PolarHBondContact O-N 2.78Å; P319-C321 PolarHBondContact O-N 3.25Å; C321-Q323 VanDerWaalsContact C-N 3.26Å; C321-Q323 PolarHBondContact O-N 3.46Å |
| 322 | D | 91.9 | Very high | 92.2 | Very high | 141 Ų | 141 | 43.4 Ų | 43.4 | 75% | 0.754 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -81.6 | -7.1 | 179.4 | -59.6 | -42.4 | 0 | 0 | 0 | 112.3 | P319 I320 | P319-D322 PolarHBondContact O-N 3.01Å; I320-D322 PolarHBondContact O-N 3.19Å |
| 323 | Q | 88.5 | Confident | 91.7 | Very high | 54 Ų | 54 | 44.2 Ų | 44.2 | 25% | 0.252 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -74.9 | 139.6 | 179.5 | -62.7 | -173.1 | -21.9 | 0 | 0 | 112.1 | I296 I320 C321 N325 Y326 | I296-Q323 PolarHBondContact O-NE2 3.08Å; I320-Q323 WeakPolarHBondContact O-CB 3.47Å; I320-Q323 PolarHBondContact O-N 3.27Å; I320-Q323 VanDerWaalsContact O-N 3.17Å; C321-Q323 VanDerWaalsContact C-N 3.26Å; C321-Q323 PolarHBondContact O-N 3.46Å; Q323-N325 PolarHBondContact O-N 3.12Å; Q323-Y326 VanDerWaalsContact O-CB 3.3Å; Q323-Y326 WeakPolarHBondContact O-CB 3.43Å; Q323-Y326 PolarHBondContact O-N 2.9Å; Q323-Y326 VanDerWaalsContact O-N 3.11Å |
| 324 | N | 83.7 | Confident | 91.3 | Very high | 142 Ų | 142 | 44.8 Ų | 44.8 | 76% | 0.759 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | 131.4 | 171.6 | -74.6 | -13.1 | 0 | 0 | 0 | 110.9 | Y326 | N324-Y326 PolarHBondContact O-N 3.17Š|
| 325 | N | 85.6 | Confident | 90.9 | Very high | 64 Ų | 64 | 50.2 Ų | 50.2 | 34% | 0.342 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 26.4 | -179.4 | -55.4 | -40.3 | 0 | 0 | 0 | 114.4 | Q323 F327 Q328 R329 Y356 | Q323-N325 PolarHBondContact O-N 3.12Å; N325-F327 PolarHBondContact O-N 3.14Å; N325-Q328 HydrophobicContact CB-CB 4.35Å; N325-Q328 PolarHBondContact O-N 3.48Å; N325-Q328 VanDerWaalsContact O-N 3.15Å; N325-R329 WeakPolarHBondContact O-CB 3.46Å; N325-R329 PolarHBondContact O-N 3.17Å; N325-Y356 HydrophobicContact CB-CE1 4.41Å; N325-Y356 WeakPolarHBondContact ND2-CE2 3.47Å; N325-Y356 PolarHBondContact ND2-OH 2.83Å |
| 326 | Y | 91.2 | Very high | 90.5 | Very high | 19 Ų | 19 | 54.2 Ų | 54.2 | 8% | 0.075 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -44.7 | -51.3 | 173.2 | 153.3 | -109.9 | 0 | 0 | 0 | 111.8 | L315 I320 Q323 N324 Q328 R329 I330 D341 | L315-Y326 VanDerWaalsContact CB-OH 3.28Å; L315-Y326 WeakPolarHBondContact CB-OH 3.34Å; L315-Y326 HydrophobicContact CD1-CE2 4.03Å; L315-Y326 WeakPolarHBondContact CD1-OH 3.42Å; I320-Y326 HydrophobicContact CB-CD2 4.42Å; I320-Y326 HydrophobicContact CD1-CD2 4.11Å; I320-Y326 HydrophobicContact CD1-CE2 4.19Å; I320-Y326 HydrophobicContact CG1-CD2 3.82Å; I320-Y326 HydrophobicContact CG1-CE2 4.21Å; I320-Y326 HydrophobicContact CG2-CD2 4.12Å; I320-Y326 HydrophobicContact CG2-CE2 3.8Å; I320-Y326 WeakPolarHBondContact O-CB 3.36Å; I320-Y326 WeakPolarHBondContact O-CD2 3.45Å; Q323-Y326 VanDerWaalsContact O-CB 3.3Å; Q323-Y326 WeakPolarHBondContact O-CB 3.43Å; Q323-Y326 PolarHBondContact O-N 2.9Å; Q323-Y326 VanDerWaalsContact O-N 3.11Å; N324-Y326 PolarHBondContact O-N 3.17Å; Y326-Q328 PolarHBondContact O-N 3.31Å; Y326-R329 WeakPolarHBondContact O-CB 3.44Å; Y326-R329 PolarHBondContact O-N 2.68Å; Y326-R329 VanDerWaalsContact O-N 3.13Å; Y326-I330 HydrophobicContact CD2-CD1 4.3Å; Y326-I330 HydrophobicContact CD2-CG1 3.67Å; Y326-I330 HydrophobicContact CE2-CD1 3.99Å; Y326-I330 HydrophobicContact CE2-CG1 3.28Å; Y326-I330 WeakPolarHBondContact O-CG1 3.44Å; Y326-I330 PolarHBondContact O-N 3.38Å; Y326-D341 WeakPolarHBondContact CE1-OD2 3.38Å; Y326-D341 PolarHBondContact OH-OD2 3.44Å |
| 327 | F | 90.9 | Very high | 90.3 | Very high | 27 Ų | 27 | 50.5 Ų | 50.5 | 12% | 0.118 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.3 | -46.4 | -177.2 | -171.4 | -104.3 | 0 | 0 | 0 | 112.1 | N325 I330 I331 L340 D349 | N325-F327 PolarHBondContact O-N 3.14Å; F327-I330 PolarHBondContact O-N 2.88Å; F327-I331 HydrophobicContact CD1-CD1 3.49Å; F327-I331 VanDerWaalsContact CD1-CD1 3.49Å; F327-I331 HydrophobicContact CD2-CD1 4.32Å; F327-I331 HydrophobicContact CE1-CD1 3.18Å; F327-I331 HydrophobicContact CE2-CD1 4.06Å; F327-I331 HydrophobicContact CG-CD1 4.06Å; F327-I331 HydrophobicContact CZ-CD1 3.5Å; F327-I331 VanDerWaalsContact CZ-CD1 3.5Å; F327-I331 WeakPolarHBondContact O-CB 3.34Å; F327-I331 WeakPolarHBondContact O-CD1 3.15Å; F327-I331 VanDerWaalsContact O-CG1 3.27Å; F327-I331 WeakPolarHBondContact O-CG1 3.35Å; F327-I331 PolarHBondContact O-N 3.43Å; F327-I331 VanDerWaalsContact O-N 3.09Å; F327-L340 HydrophobicContact CD2-CD2 3.65Å; F327-L340 HydrophobicContact CD2-CG 4.44Å; F327-L340 HydrophobicContact CE2-CB 4.29Å; F327-L340 HydrophobicContact CE2-CD2 3.88Å; F327-L340 HydrophobicContact CE2-CG 4.39Å; F327-D349 HydrophobicContact CE1-CB 3.82Å |
| 328 | Q | 89.2 | Confident | 90.3 | Very high | 40 Ų | 40 | 50.3 Ų | 50.3 | 19% | 0.187 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.2 | -39.7 | 176.9 | -69.2 | 74.7 | 13.8 | 0 | 0 | 111.3 | N325 Y326 I331 F332 A353 | N325-Q328 HydrophobicContact CB-CB 4.35Å; N325-Q328 PolarHBondContact O-N 3.48Å; N325-Q328 VanDerWaalsContact O-N 3.15Å; Y326-Q328 PolarHBondContact O-N 3.31Å; Q328-I331 PolarHBondContact O-N 3.12Å; Q328-F332 VanDerWaalsContact O-CB 3.25Å; Q328-F332 WeakPolarHBondContact O-CB 3.09Å; Q328-F332 PolarHBondContact O-N 2.96Å; Q328-A353 HydrophobicContact CB-CB 4.15Å; Q328-A353 WeakPolarHBondContact O-CB 3.37Å |
| 329 | R | 88.8 | Confident | 90.3 | Very high | 53 Ų | 53 | 52.9 Ų | 52.9 | 20% | 0.2 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.6 | -49.1 | 177 | -168.4 | 171.5 | -64.7 | 163.2 | -2.3 | 111.9 | H298 N325 Y326 F332 H333 Y357 | H298-R329 HydrophobicContact CB-CG 4.07Å; N325-R329 WeakPolarHBondContact O-CB 3.46Å; N325-R329 PolarHBondContact O-N 3.17Å; Y326-R329 WeakPolarHBondContact O-CB 3.44Å; Y326-R329 PolarHBondContact O-N 2.68Å; Y326-R329 VanDerWaalsContact O-N 3.13Å; R329-F332 PolarHBondContact O-N 3.49Å; R329-H333 PolarHBondContact O-CD2 3.14Å; R329-H333 PolarHBondContact O-N 2.89Å; R329-H333 VanDerWaalsContact O-N 3.15Å; R329-Y357 WeakPolarHBondContact CA-OH 3.46Å; R329-Y357 HydrophobicContact CB-CE2 4.39Å; R329-Y357 WeakPolarHBondContact CB-OH 3.39Å; R329-Y357 WeakPolarHBondContact CG-OH 3.39Å; R329-Y357 PolarHBondContact NE-OH 3.13Å; R329-Y357 VanDerWaalsContact NE-OH 3.12Å |
| 330 | I | 90.8 | Very high | 90.4 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.1 | -45.2 | 179.6 | -61.1 | -48.3 | 0 | 0 | 0 | 111.3 | L301 L313 L315 I320 Y326 F327 F332 H333 L334 L337 L340 | L301-I330 HydrophobicContact CD1-CD1 3.49Å; L301-I330 VanDerWaalsContact CD1-CD1 3.49Å; L313-I330 HydrophobicContact CD2-CG2 4.41Å; L315-I330 HydrophobicContact CD1-CD1 4.41Å; L315-I330 HydrophobicContact CD1-CG1 4.33Å; I320-I330 HydrophobicContact CD1-CD1 3.87Å; Y326-I330 HydrophobicContact CD2-CD1 4.3Å; Y326-I330 HydrophobicContact CD2-CG1 3.67Å; Y326-I330 HydrophobicContact CE2-CD1 3.99Å; Y326-I330 HydrophobicContact CE2-CG1 3.28Å; Y326-I330 WeakPolarHBondContact O-CG1 3.44Å; Y326-I330 PolarHBondContact O-N 3.38Å; F327-I330 PolarHBondContact O-N 2.88Å; I330-F332 VanDerWaalsContact C-N 3.3Å; I330-F332 PolarHBondContact O-N 2.85Å; I330-H333 PolarHBondContact O-N 3.17Å; I330-L334 HydrophobicContact CG2-CD1 3.94Å; I330-L334 HydrophobicContact CG2-CG 4.41Å; I330-L334 WeakPolarHBondContact O-CB 3.26Å; I330-L334 PolarHBondContact O-N 3.37Å; I330-L337 HydrophobicContact CG2-CD2 4.21Å; I330-L340 HydrophobicContact CB-CD2 3.96Å; I330-L340 HydrophobicContact CG2-CD1 4.09Å; I330-L340 HydrophobicContact CG2-CD2 3.82Å |
| 331 | I | 91.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 179.7 | -69.9 | 168.3 | 0 | 0 | 0 | 111.7 | F327 Q328 L334 V345 D349 R350 A353 | F327-I331 HydrophobicContact CD1-CD1 3.49Å; F327-I331 VanDerWaalsContact CD1-CD1 3.49Å; F327-I331 HydrophobicContact CD2-CD1 4.32Å; F327-I331 HydrophobicContact CE1-CD1 3.18Å; F327-I331 HydrophobicContact CE2-CD1 4.06Å; F327-I331 HydrophobicContact CG-CD1 4.06Å; F327-I331 HydrophobicContact CZ-CD1 3.5Å; F327-I331 VanDerWaalsContact CZ-CD1 3.5Å; F327-I331 WeakPolarHBondContact O-CB 3.34Å; F327-I331 WeakPolarHBondContact O-CD1 3.15Å; F327-I331 VanDerWaalsContact O-CG1 3.27Å; F327-I331 WeakPolarHBondContact O-CG1 3.35Å; F327-I331 PolarHBondContact O-N 3.43Å; F327-I331 VanDerWaalsContact O-N 3.09Å; Q328-I331 PolarHBondContact O-N 3.12Å; I331-L334 CarbonylContact O-C 3.6Å; I331-V345 HydrophobicContact CD1-CG1 3.77Å; I331-V345 HydrophobicContact CD1-CG2 4.19Å; I331-V345 HydrophobicContact CG1-CG1 4.02Å; I331-V345 HydrophobicContact CG1-CG2 4.21Å; I331-V345 HydrophobicContact CG2-CG1 4.19Å; I331-D349 HydrophobicContact CD1-CB 3.93Å; I331-R350 HydrophobicContact CG2-CB 4.38Å; I331-R350 HydrophobicContact CG2-CG 3.91Å; I331-A353 HydrophobicContact CB-CB 4.07Å; I331-A353 HydrophobicContact CG2-CB 3.83Å |
| 332 | F | 88.7 | Confident | 90.5 | Very high | 28 Ų | 28 | 55.2 Ų | 55.2 | 12% | 0.123 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 178 | -179.5 | -106.9 | 0 | 0 | 0 | 111.8 | Q328 R329 I330 A353 Y357 E358 | Q328-F332 VanDerWaalsContact O-CB 3.25Å; Q328-F332 WeakPolarHBondContact O-CB 3.09Å; Q328-F332 PolarHBondContact O-N 2.96Å; R329-F332 PolarHBondContact O-N 3.49Å; I330-F332 VanDerWaalsContact C-N 3.3Å; I330-F332 PolarHBondContact O-N 2.85Å; F332-A353 HydrophobicContact CB-CB 4.23Å; F332-Y357 HydrophobicContact CB-CD2 3.53Å; F332-Y357 HydrophobicContact CB-CE2 3.78Å; F332-Y357 HydrophobicContact CB-CG 4.46Å; F332-Y357 HydrophobicContact CD1-CD1 4.2Å; F332-Y357 AromaticContact CD1-CD2 3.53Å; F332-Y357 HydrophobicContact CD1-CD2 3.53Å; F332-Y357 HydrophobicContact CD1-CE2 4.12Å; F332-Y357 AromaticContact CD1-CG 3.61Å; F332-Y357 HydrophobicContact CD1-CG 3.61Å; F332-Y357 AromaticContact CD2-CD2 3.8Å; F332-Y357 HydrophobicContact CD2-CD2 3.8Å; F332-Y357 HydrophobicContact CD2-CG 4.12Å; F332-Y357 HydrophobicContact CE1-CD1 4.26Å; F332-Y357 HydrophobicContact CE1-CD2 4.16Å; F332-Y357 AromaticContact CE1-CG 3.77Å; F332-Y357 HydrophobicContact CE1-CG 3.77Å; F332-Y357 HydrophobicContact CE2-CD2 4.39Å; F332-Y357 HydrophobicContact CE2-CG 4.26Å; F332-Y357 AromaticContact CG-CD2 3.32Å; F332-Y357 HydrophobicContact CG-CD2 3.32Å; F332-Y357 HydrophobicContact CG-CE2 4.01Å; F332-Y357 AromaticContact CG-CG 3.8Å; F332-Y357 HydrophobicContact CG-CG 3.8Å; F332-Y357 VanDerWaalsContact CZ-CB 3.48Å; F332-Y357 HydrophobicContact CZ-CG 4.09Å; F332-E358 HydrophobicContact CE2-CG 4.27Å; F332-E358 HydrophobicContact CZ-CG 4.23Å |
| 333 | H | 86.7 | Confident | 90.6 | Very high | 53 Ų | 53 | 54.7 Ų | 54.7 | 25% | 0.245 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -76.2 | -36.9 | -179.8 | -66.6 | -56.3 | 0 | 0 | 0 | 113.4 | H298 R329 I330 | H298-H333 AromaticContact CD2-CD2 3.9Å; H298-H333 AromaticContact CD2-NE2 3.43Å; H298-H333 PolarHBondContact CD2-NE2 2.97Å; R329-H333 PolarHBondContact O-CD2 3.14Å; R329-H333 PolarHBondContact O-N 2.89Å; R329-H333 VanDerWaalsContact O-N 3.15Å; I330-H333 PolarHBondContact O-N 3.17Å |
| 334 | L | 89.6 | Confident | 90.9 | Very high | 12 Ų | 12 | 62.1 Ų | 62.1 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | trans | -106.2 | 74.3 | -176.9 | -56 | -175.4 | 0 | 0 | 0 | 111.5 | L304 K305 L313 I330 I331 N336 L337 | L304-L334 HydrophobicContact CB-CD1 4.1Å; L304-L334 HydrophobicContact CB-CD2 3.65Å; L304-L334 HydrophobicContact CD1-CD1 4.18Å; K305-L334 HydrophobicContact CB-CD2 4.48Å; L313-L334 HydrophobicContact CD2-CD1 3.59Å; I330-L334 HydrophobicContact CG2-CD1 3.94Å; I330-L334 HydrophobicContact CG2-CG 4.41Å; I330-L334 WeakPolarHBondContact O-CB 3.26Å; I330-L334 PolarHBondContact O-N 3.37Å; I331-L334 CarbonylContact O-C 3.6Å; L334-N336 PolarHBondContact O-N 3.3Å; L334-N336 VanDerWaalsContact O-N 3.11Å; L334-L337 HydrophobicContact CB-CB 4.27Å; L334-L337 WeakPolarHBondContact O-CB 3.39Å; L334-L337 PolarHBondContact O-N 3.03Å | ||
| 335 | K | 86.8 | Confident | 91.4 | Very high | 132 Ų | 132 | 56 Ų | 56 | 57% | 0.574 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -24.9 | -172.5 | -62.4 | -174.6 | 178.7 | -174.7 | 0 | 114.7 | R350 | K335-R350 PolarHBondContact O-NH1 3.29Š|
| 336 | N | 89.2 | Confident | 91.7 | Very high | 84 Ų | 84 | 55.2 Ų | 55.2 | 45% | 0.449 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -3.6 | -177.1 | -65.9 | -11.9 | 0 | 0 | 0 | 114.3 | S308 L334 K338 | S308-N336 PolarHBondContact O-ND2 3.07Å; L334-N336 PolarHBondContact O-N 3.3Å; L334-N336 VanDerWaalsContact O-N 3.11Å; N336-K338 PolarHBondContact O-N 2.82Å |
| 337 | L | 93.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | trans | -67.1 | 129.6 | -174.1 | -163.5 | 72.2 | 0 | 0 | 0 | 111.6 | L310 L313 I330 L334 I339 L340 R350 | L310-L337 HydrophobicContact CG-CD1 4.35Å; L313-L337 HydrophobicContact CB-CD1 3.51Å; L313-L337 HydrophobicContact CB-CD2 4.17Å; L313-L337 HydrophobicContact CB-CG 4.47Å; I330-L337 HydrophobicContact CG2-CD2 4.21Å; L334-L337 HydrophobicContact CB-CB 4.27Å; L334-L337 WeakPolarHBondContact O-CB 3.39Å; L334-L337 PolarHBondContact O-N 3.03Å; L337-I339 WeakPolarHBondContact CG-O 3.43Å; L337-L340 HydrophobicContact CD2-CB 3.71Å; L337-L340 HydrophobicContact CD2-CD1 3.93Å; L337-L340 HydrophobicContact CD2-CD2 4.35Å; L337-L340 HydrophobicContact CD2-CG 4.2Å; L337-R350 PolarHBondContact O-NH2 3.07Å | ||
| 338 | K | 94 | Very high | 91.5 | Very high | 110 Ų | 110 | 65.2 Ų | 65.2 | 48% | 0.478 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -101.3 | -35.7 | 179.2 | -65.5 | 178.9 | -180 | 155.6 | 0 | 112.1 | H311 N336 R344 V345 | H311-K338 HydrophobicContact CB-CB 4.26Å; H311-K338 HydrophobicContact CB-CD 4.02Å; H311-K338 HydrophobicContact CB-CG 4.17Å; H311-K338 VanDerWaalsContact CD2-CE 3.46Å; H311-K338 WeakPolarHBondContact CD2-CE 3.36Å; H311-K338 PolarHBondContact CD2-NZ 3.24Å; H311-K338 PolarHBondContact NE2-NZ 3.05Å; H311-K338 VanDerWaalsContact NE2-NZ 3.17Å; H311-K338 WeakPolarHBondContact O-CA 3.27Å; H311-K338 PolarHBondContact O-N 3.47Å; N336-K338 PolarHBondContact O-N 2.82Å; K338-R344 WeakPolarHBondContact O-CA 3.36Å; K338-V345 PolarHBondContact O-N 3.33Å |
| 339 | I | 96.9 | Very high | 91.6 | Very high | 60 Ų | 60 | 63.7 Ų | 63.7 | 31% | 0.308 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 128 | -178.2 | -58.4 | 172.3 | 0 | 0 | 0 | 108 | H311 N312 L313 L337 R343 | H311-I339 PolarHBondContact O-N 3.03Å; N312-I339 WeakPolarHBondContact CA-O 3.5Å; N312-I339 HydrophobicContact CB-CB 4.28Å; L313-I339 PolarHBondContact N-O 3.15Å; L337-I339 WeakPolarHBondContact CG-O 3.43Å; I339-R343 WeakPolarHBondContact CA-O 3.49Å |
| 340 | L | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.3 | 173.7 | -179.8 | 57.1 | 0 | 0 | 0 | 108.3 | L313 L315 F327 I330 L337 D342 R343 V345 | L313-L340 HydrophobicContact CB-CD1 4.32Å; L313-L340 HydrophobicContact CD2-CD1 4.31Å; L313-L340 HydrophobicContact CG-CD1 4.27Å; L313-L340 CarbonylContact O-C 3.55Å; L313-L340 VanDerWaalsContact O-CA 3.27Å; L313-L340 WeakPolarHBondContact O-CA 3.31Å; L315-L340 HydrophobicContact CD1-CD1 4.22Å; F327-L340 HydrophobicContact CD2-CD2 3.65Å; F327-L340 HydrophobicContact CD2-CG 4.44Å; F327-L340 HydrophobicContact CE2-CB 4.29Å; F327-L340 HydrophobicContact CE2-CD2 3.88Å; F327-L340 HydrophobicContact CE2-CG 4.39Å; I330-L340 HydrophobicContact CB-CD2 3.96Å; I330-L340 HydrophobicContact CG2-CD1 4.09Å; I330-L340 HydrophobicContact CG2-CD2 3.82Å; L337-L340 HydrophobicContact CD2-CB 3.71Å; L337-L340 HydrophobicContact CD2-CD1 3.93Å; L337-L340 HydrophobicContact CD2-CD2 4.35Å; L337-L340 HydrophobicContact CD2-CG 4.2Å; L340-D342 PolarHBondContact O-N 3.19Å; L340-R343 PolarHBondContact N-O 2.77Å; L340-R343 WeakPolarHBondContact O-CA 3.2Å; L340-R343 WeakPolarHBondContact O-CB 3.3Å; L340-R343 PolarHBondContact O-N 3.04Å; L340-R343 VanDerWaalsContact O-O 3.11Å; L340-V345 HydrophobicContact CB-CG2 4.25Å |
| 341 | D | 95 | Very high | 91.4 | Very high | 24 Ų | 24 | 67.2 Ų | 67.2 | 13% | 0.128 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 40.6 | 176 | -60.7 | -35.2 | 0 | 0 | 0 | 112.8 | L313 N314 L315 K316 Y326 R343 | L313-D341 PolarHBondContact O-N 3.4Å; N314-D341 PolarHBondContact OD1-OD1 2.89Å; L315-D341 WeakPolarHBondContact CA-OD1 3.39Å; L315-D341 PolarHBondContact N-OD1 3.41Å; K316-D341 HydrophobicContact CD-CB 4.44Å; K316-D341 WeakPolarHBondContact CE-O 2.98Å; K316-D341 HydrophobicContact CG-CB 3.84Å; K316-D341 PolarHBondContact N-OD1 3.48Å; K316-D341 PolarHBondContact NZ-O 2.68Å; Y326-D341 WeakPolarHBondContact CE1-OD2 3.38Å; Y326-D341 PolarHBondContact OH-OD2 3.44Å; D341-R343 PolarHBondContact O-N 3.42Å; D341-R343 VanDerWaalsContact O-N 3.14Å |
| 342 | D | 92.2 | Very high | 91.1 | Very high | 108 Ų | 108 | 74 Ų | 74 | 58% | 0.578 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 7.7 | -174.6 | -47 | -53 | 0 | 0 | 0 | 114.9 | K316 L340 | K316-D342 IonicContact NZ-OD2 3.61Å; K316-D342 PolarHBondContact NZ-OD2 3.35Å; L340-D342 PolarHBondContact O-N 3.19Å |
| 343 | R | 94.1 | Very high | 91 | Very high | 129 Ų | 129 | 72.7 Ų | 72.7 | 49% | 0.487 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 132.4 | 173.6 | -179.8 | -179.9 | 167.3 | -160.8 | -10.3 | 110.6 | I339 L340 D341 D349 | I339-R343 WeakPolarHBondContact CA-O 3.49Å; L340-R343 PolarHBondContact N-O 2.77Å; L340-R343 WeakPolarHBondContact O-CA 3.2Å; L340-R343 WeakPolarHBondContact O-CB 3.3Å; L340-R343 PolarHBondContact O-N 3.04Å; L340-R343 VanDerWaalsContact O-O 3.11Å; D341-R343 PolarHBondContact O-N 3.42Å; D341-R343 VanDerWaalsContact O-N 3.14Å; R343-D349 IonicContact NH2-OD1 2.88Å; R343-D349 PolarHBondContact NH2-OD1 2.72Å; R343-D349 IonicContact NH2-OD2 3.66Å; R343-D349 PolarHBondContact NH2-OD2 3.29Å |
| 344 | R | 95.1 | Very high | 90.9 | Very high | 211 Ų | 211 | 73.3 Ų | 73.3 | 80% | 0.796 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 131.3 | 173.7 | -171.1 | 174.2 | 179.9 | 170.6 | -0.6 | 110.9 | K338 S346 | K338-R344 WeakPolarHBondContact O-CA 3.36Å; R344-S346 PolarHBondContact O-N 3.18Å |
| 345 | V | 94.2 | Very high | 90.4 | Very high | 12 Ų | 12 | 75 Ų | 75 | 7% | 0.073 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 118.9 | 176.4 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | I331 K338 L340 D349 R350 | I331-V345 HydrophobicContact CD1-CG1 3.77Å; I331-V345 HydrophobicContact CD1-CG2 4.19Å; I331-V345 HydrophobicContact CG1-CG1 4.02Å; I331-V345 HydrophobicContact CG1-CG2 4.21Å; I331-V345 HydrophobicContact CG2-CG1 4.19Å; K338-V345 PolarHBondContact O-N 3.33Å; L340-V345 HydrophobicContact CB-CG2 4.25Å; V345-D349 HydrophobicContact CG1-CB 4.38Å; V345-R350 HydrophobicContact CG1-CG 4.01Å |
| 346 | S | 92.7 | Very high | 90.1 | Very high | 48 Ų | 48 | 74.4 Ų | 74.4 | 34% | 0.336 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -86.1 | 165.1 | 177.5 | 75.5 | 0 | 0 | 0 | 0 | 112.4 | R344 M348 D349 R350 | R344-S346 PolarHBondContact O-N 3.18Å; S346-M348 VanDerWaalsContact C-N 3.28Å; S346-M348 PolarHBondContact O-N 3.11Å; S346-M348 PolarHBondContact OG-N 2.68Å; S346-D349 WeakPolarHBondContact CB-OD2 3.25Å; S346-D349 PolarHBondContact N-OD2 3.32Å; S346-D349 PolarHBondContact O-N 2.67Å; S346-D349 PolarHBondContact OG-N 2.99Å; S346-D349 VanDerWaalsContact OG-N 3.11Å; S346-D349 PolarHBondContact OG-OD2 3.22Å; S346-R350 PolarHBondContact O-N 3.25Å |
| 347 | I | 88.6 | Confident | 89.6 | Confident | 137 Ų | 137 | 73.8 Ų | 73.8 | 70% | 0.703 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63 | -39.2 | 173.8 | -59.2 | 165 | 0 | 0 | 0 | 110.2 | D349 R350 V351 | I347-D349 VanDerWaalsContact C-N 3.29Å; I347-D349 PolarHBondContact O-N 3.11Å; I347-R350 WeakPolarHBondContact O-CB 3.33Å; I347-R350 PolarHBondContact O-N 2.9Å; I347-R350 VanDerWaalsContact O-N 3.14Å; I347-V351 HydrophobicContact CG2-CG2 4.44Å; I347-V351 WeakPolarHBondContact O-CG2 3.37Å; I347-V351 PolarHBondContact O-N 3.15Å |
| 348 | M | 88.6 | Confident | 88.9 | Confident | 119 Ų | 119 | 79.7 Ų | 79.7 | 59% | 0.586 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.8 | -36.3 | 177.3 | -66.5 | -57.4 | -71.2 | 0 | 0 | 112.2 | S346 R350 V351 R352 | S346-M348 VanDerWaalsContact C-N 3.28Å; S346-M348 PolarHBondContact O-N 3.11Å; S346-M348 PolarHBondContact OG-N 2.68Å; M348-R350 VanDerWaalsContact C-N 3.34Å; M348-V351 PolarHBondContact O-N 2.93Å; M348-R352 WeakPolarHBondContact O-CB 3.37Å; M348-R352 WeakPolarHBondContact O-CG 3.33Å; M348-R352 PolarHBondContact O-N 3.47Å |
| 349 | D | 90.9 | Very high | 88 | Confident | 8 Ų | 8 | 77.3 Ų | 77.3 | 4% | 0.043 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 175.5 | -63.2 | -49 | 0 | 0 | 0 | 111.3 | F327 I331 R343 V345 S346 I347 R352 A353 | F327-D349 HydrophobicContact CE1-CB 3.82Å; I331-D349 HydrophobicContact CD1-CB 3.93Å; R343-D349 IonicContact NH2-OD1 2.88Å; R343-D349 PolarHBondContact NH2-OD1 2.72Å; R343-D349 IonicContact NH2-OD2 3.66Å; R343-D349 PolarHBondContact NH2-OD2 3.29Å; V345-D349 HydrophobicContact CG1-CB 4.38Å; S346-D349 WeakPolarHBondContact CB-OD2 3.25Å; S346-D349 PolarHBondContact N-OD2 3.32Å; S346-D349 PolarHBondContact O-N 2.67Å; S346-D349 PolarHBondContact OG-N 2.99Å; S346-D349 VanDerWaalsContact OG-N 3.11Å; S346-D349 PolarHBondContact OG-OD2 3.22Å; I347-D349 VanDerWaalsContact C-N 3.29Å; I347-D349 PolarHBondContact O-N 3.11Å; D349-R352 PolarHBondContact O-N 3.09Å; D349-A353 WeakPolarHBondContact O-CB 3.27Å; D349-A353 PolarHBondContact O-N 3.32Å |
| 350 | R | 90.1 | Very high | 87.3 | Confident | 66 Ų | 66 | 77.7 Ų | 77.7 | 25% | 0.249 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 175.4 | -62.9 | 177.3 | -175.5 | -75.6 | 4 | 112.3 | I331 K335 L337 V345 S346 I347 M348 A353 N354 | I331-R350 HydrophobicContact CG2-CB 4.38Å; I331-R350 HydrophobicContact CG2-CG 3.91Å; K335-R350 PolarHBondContact O-NH1 3.29Å; L337-R350 PolarHBondContact O-NH2 3.07Å; V345-R350 HydrophobicContact CG1-CG 4.01Å; S346-R350 PolarHBondContact O-N 3.25Å; I347-R350 WeakPolarHBondContact O-CB 3.33Å; I347-R350 PolarHBondContact O-N 2.9Å; I347-R350 VanDerWaalsContact O-N 3.14Å; M348-R350 VanDerWaalsContact C-N 3.34Å; R350-A353 PolarHBondContact O-N 3.2Å; R350-N354 WeakPolarHBondContact O-CB 3.49Å; R350-N354 PolarHBondContact O-N 3.16Å |
| 351 | V | 85.8 | Confident | 86.3 | Confident | 64 Ų | 64 | 78.8 Ų | 78.8 | 39% | 0.388 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 175.9 | 173.3 | 0 | 0 | 0 | 0 | 109.1 | I347 M348 A353 N354 L355 | I347-V351 HydrophobicContact CG2-CG2 4.44Å; I347-V351 WeakPolarHBondContact O-CG2 3.37Å; I347-V351 PolarHBondContact O-N 3.15Å; M348-V351 PolarHBondContact O-N 2.93Å; V351-A353 VanDerWaalsContact C-N 3.33Å; V351-A353 PolarHBondContact O-N 3.42Å; V351-N354 PolarHBondContact O-N 3.19Å; V351-L355 HydrophobicContact CG1-CD1 3.64Å; V351-L355 HydrophobicContact CG1-CG 4.07Å; V351-L355 WeakPolarHBondContact O-CB 3.27Å; V351-L355 WeakPolarHBondContact O-CG 3.46Å; V351-L355 PolarHBondContact O-N 2.68Å |
| 352 | R | 84.5 | Confident | 85.4 | Confident | 147 Ų | 147 | 80.5 Ų | 80.5 | 56% | 0.555 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -58.4 | -41.4 | 176.3 | -75 | 175.8 | 177.4 | 168.9 | -2.1 | 113.3 | M348 D349 Y356 | M348-R352 WeakPolarHBondContact O-CB 3.37Å; M348-R352 WeakPolarHBondContact O-CG 3.33Å; M348-R352 PolarHBondContact O-N 3.47Å; D349-R352 PolarHBondContact O-N 3.09Å; R352-Y356 WeakPolarHBondContact O-CB 3.34Å; R352-Y356 PolarHBondContact O-N 3.49Å |
| 353 | A | 87 | Confident | 84.7 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63 | -48 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q328 I331 F332 D349 R350 V351 Y356 Y357 | Q328-A353 HydrophobicContact CB-CB 4.15Å; Q328-A353 WeakPolarHBondContact O-CB 3.37Å; I331-A353 HydrophobicContact CB-CB 4.07Å; I331-A353 HydrophobicContact CG2-CB 3.83Å; F332-A353 HydrophobicContact CB-CB 4.23Å; D349-A353 WeakPolarHBondContact O-CB 3.27Å; D349-A353 PolarHBondContact O-N 3.32Å; R350-A353 PolarHBondContact O-N 3.2Å; V351-A353 VanDerWaalsContact C-N 3.33Å; V351-A353 PolarHBondContact O-N 3.42Å; A353-Y356 PolarHBondContact O-N 3.3Å; A353-Y357 WeakPolarHBondContact O-CD2 3.38Å; A353-Y357 PolarHBondContact O-N 3.46Å |
| 354 | N | 85 | Confident | 83.9 | Confident | 67 Ų | 67 | 75.2 Ų | 75.2 | 36% | 0.358 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | 176.3 | -72.6 | -13.1 | 0 | 0 | 0 | 111.5 | R350 V351 Y356 Y357 E358 | R350-N354 WeakPolarHBondContact O-CB 3.49Å; R350-N354 PolarHBondContact O-N 3.16Å; V351-N354 PolarHBondContact O-N 3.19Å; N354-Y356 PolarHBondContact O-N 3.36Å; N354-Y357 PolarHBondContact O-N 3.16Å; N354-E358 CarbonylContact O-C 3.59Å; N354-E358 VanDerWaalsContact O-CA 3.31Å; N354-E358 WeakPolarHBondContact O-CA 3.19Å; N354-E358 WeakPolarHBondContact O-CB 3.37Å; N354-E358 PolarHBondContact O-N 3.37Å |
| 355 | L | 79.3 | Confident | 83.1 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 25% | 0.246 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.1 | -27.7 | 178.7 | -66.8 | 175.5 | 0 | 0 | 0 | 113.1 | V351 P359 T360 Q363 | V351-L355 HydrophobicContact CG1-CD1 3.64Å; V351-L355 HydrophobicContact CG1-CG 4.07Å; V351-L355 WeakPolarHBondContact O-CB 3.27Å; V351-L355 WeakPolarHBondContact O-CG 3.46Å; V351-L355 PolarHBondContact O-N 2.68Å; L355-P359 WeakPolarHBondContact O-CA 3.34Å; L355-P359 VanDerWaalsContact O-CB 3.28Å; L355-P359 WeakPolarHBondContact O-CB 3.36Å; L355-T360 HydrophobicContact CD2-CG2 3.94Å; L355-Q363 VanDerWaalsContact CD2-NE2 3.31Å; L355-Q363 VanDerWaalsContact CD2-OE1 3.27Å |
| 356 | Y | 80.7 | Confident | 82.5 | Confident | 120 Ų | 120 | 71 Ų | 71 | 47% | 0.471 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -72.4 | -39.9 | 177.8 | -176.2 | -95.7 | 0 | 0 | 0 | 112.6 | N325 R352 A353 N354 | N325-Y356 HydrophobicContact CB-CE1 4.41Å; N325-Y356 WeakPolarHBondContact ND2-CE2 3.47Å; N325-Y356 PolarHBondContact ND2-OH 2.83Å; R352-Y356 WeakPolarHBondContact O-CB 3.34Å; R352-Y356 PolarHBondContact O-N 3.49Å; A353-Y356 PolarHBondContact O-N 3.3Å; N354-Y356 PolarHBondContact O-N 3.36Å |
| 357 | Y | 79 | Confident | 82.1 | Confident | 71 Ų | 71 | 72.8 Ų | 72.8 | 28% | 0.278 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -93.4 | -29.8 | -179.2 | -72 | -78 | 0 | 0 | 0 | 113.5 | R329 F332 A353 N354 | R329-Y357 WeakPolarHBondContact CA-OH 3.46Å; R329-Y357 HydrophobicContact CB-CE2 4.39Å; R329-Y357 WeakPolarHBondContact CB-OH 3.39Å; R329-Y357 WeakPolarHBondContact CG-OH 3.39Å; R329-Y357 PolarHBondContact NE-OH 3.13Å; R329-Y357 VanDerWaalsContact NE-OH 3.12Å; F332-Y357 HydrophobicContact CB-CD2 3.53Å; F332-Y357 HydrophobicContact CB-CE2 3.78Å; F332-Y357 HydrophobicContact CB-CG 4.46Å; F332-Y357 HydrophobicContact CD1-CD1 4.2Å; F332-Y357 AromaticContact CD1-CD2 3.53Å; F332-Y357 HydrophobicContact CD1-CD2 3.53Å; F332-Y357 HydrophobicContact CD1-CE2 4.12Å; F332-Y357 AromaticContact CD1-CG 3.61Å; F332-Y357 HydrophobicContact CD1-CG 3.61Å; F332-Y357 AromaticContact CD2-CD2 3.8Å; F332-Y357 HydrophobicContact CD2-CD2 3.8Å; F332-Y357 HydrophobicContact CD2-CG 4.12Å; F332-Y357 HydrophobicContact CE1-CD1 4.26Å; F332-Y357 HydrophobicContact CE1-CD2 4.16Å; F332-Y357 AromaticContact CE1-CG 3.77Å; F332-Y357 HydrophobicContact CE1-CG 3.77Å; F332-Y357 HydrophobicContact CE2-CD2 4.39Å; F332-Y357 HydrophobicContact CE2-CG 4.26Å; F332-Y357 AromaticContact CG-CD2 3.32Å; F332-Y357 HydrophobicContact CG-CD2 3.32Å; F332-Y357 HydrophobicContact CG-CE2 4.01Å; F332-Y357 AromaticContact CG-CG 3.8Å; F332-Y357 HydrophobicContact CG-CG 3.8Å; F332-Y357 VanDerWaalsContact CZ-CB 3.48Å; F332-Y357 HydrophobicContact CZ-CG 4.09Å; A353-Y357 WeakPolarHBondContact O-CD2 3.38Å; A353-Y357 PolarHBondContact O-N 3.46Å; N354-Y357 PolarHBondContact O-N 3.16Å |
| 358 | E | 77.6 | Confident | 81.8 | Confident | 126 Ų | 126 | 67 Ų | 67 | 59% | 0.589 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -132.7 | 67.8 | -179.2 | -65.5 | 177 | 179.1 | 0 | 0 | 108.9 | F332 N354 | F332-E358 HydrophobicContact CE2-CG 4.27Å; F332-E358 HydrophobicContact CZ-CG 4.23Å; N354-E358 CarbonylContact O-C 3.59Å; N354-E358 VanDerWaalsContact O-CA 3.31Å; N354-E358 WeakPolarHBondContact O-CA 3.19Å; N354-E358 WeakPolarHBondContact O-CB 3.37Å; N354-E358 PolarHBondContact O-N 3.37Å |
| 359 | P | 76 | Confident | 81.5 | Confident | 60 Ų | 60 | 62.8 Ų | 62.8 | 39% | 0.39 | 30% | 0.295 | S | S | . | . | trans | -62.5 | 142.9 | 178.9 | 25.6 | -33.8 | 0 | 0 | 0 | 110.9 | L355 Q363 V364 | L355-P359 WeakPolarHBondContact O-CA 3.34Å; L355-P359 VanDerWaalsContact O-CB 3.28Å; L355-P359 WeakPolarHBondContact O-CB 3.36Å; P359-Q363 HydrophobicContact CB-CB 4.43Å; P359-V364 HydrophobicContact CB-CG2 3.96Å; P359-V364 HydrophobicContact CG-CG2 3.83Å | ||
| 360 | T | 80.8 | Confident | 81.2 | Confident | 67 Ų | 67 | 68.2 Ų | 68.2 | 41% | 0.411 | 32% | 0.315 | S | S | . | . | trans | -68.8 | 155.2 | 172.7 | 63.1 | 0 | 0 | 0 | 0 | 110.4 | L355 E362 Q363 V364 | L355-T360 HydrophobicContact CD2-CG2 3.94Å; T360-E362 PolarHBondContact O-N 3.42Å; T360-Q363 WeakPolarHBondContact O-CA 3.44Å; T360-Q363 WeakPolarHBondContact O-CB 3.34Å; T360-Q363 PolarHBondContact O-N 3.02Å; T360-Q363 WeakPolarHBondContact OG1-CG 3.32Å; T360-V364 PolarHBondContact O-N 3.37Å | ||
| 361 | L | 74.9 | Confident | 80.8 | Confident | 23 Ų | 23 | 67.4 Ų | 67.4 | 12% | 0.12 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.5 | -36.4 | 179.4 | -65.9 | 179.3 | 0 | 0 | 0 | 113 | Q363 V364 A365 L533 E534 Y537 L605 I609 | L361-Q363 VanDerWaalsContact C-N 3.33Å; L361-Q363 PolarHBondContact O-N 3.4Å; L361-V364 PolarHBondContact O-N 3.49Å; L361-A365 WeakPolarHBondContact O-CB 3.35Å; L361-A365 PolarHBondContact O-N 3.06Å; L361-L533 HydrophobicContact CD1-CB 3.94Å; L361-L533 HydrophobicContact CD1-CD1 3.67Å; L361-L533 HydrophobicContact CD1-CG 4.48Å; L361-E534 HydrophobicContact CD2-CG 4.28Å; L361-E534 WeakPolarHBondContact CD2-OE1 3.44Å; L361-Y537 HydrophobicContact CB-CD2 4.39Å; L361-Y537 HydrophobicContact CB-CE2 4.24Å; L361-L605 HydrophobicContact CD1-CD1 4.22Å; L361-L605 HydrophobicContact CD1-CD2 3.68Å; L361-L605 HydrophobicContact CD1-CG 4.47Å; L361-I609 HydrophobicContact CD1-CD1 3.82Å |
| 362 | E | 75.3 | Confident | 80.6 | Confident | 61 Ų | 61 | 64.4 Ų | 64.4 | 29% | 0.285 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 173.8 | -68.7 | -169 | 179.3 | 0 | 0 | 112.9 | T360 A365 R366 Y537 | T360-E362 PolarHBondContact O-N 3.42Å; E362-A365 PolarHBondContact O-N 3.23Å; E362-R366 WeakPolarHBondContact O-CB 3.5Å; E362-R366 VanDerWaalsContact O-CG 3.24Å; E362-R366 WeakPolarHBondContact O-CG 3.18Å; E362-R366 PolarHBondContact O-N 3.33Å; E362-R366 IonicContact OE2-CZ 3.49Å; E362-R366 IonicContact OE2-NH2 2.68Å; E362-R366 PolarHBondContact OE2-NH2 3.26Å; E362-R366 VanDerWaalsContact OE2-NH2 3.09Å; E362-Y537 HydrophobicContact CG-CD1 3.82Å; E362-Y537 HydrophobicContact CG-CE1 3.44Å; E362-Y537 VanDerWaalsContact CG-CE1 3.44Å; E362-Y537 HydrophobicContact CG-CE2 4.26Å; E362-Y537 HydrophobicContact CG-CG 4.36Å; E362-Y537 WeakPolarHBondContact OE1-CE1 3.48Å |
| 363 | Q | 78.4 | Confident | 80.4 | Confident | 63 Ų | 63 | 60.3 Ų | 60.3 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -71.9 | -39.6 | 178.8 | -73.4 | 175.6 | 3 | 0 | 0 | 111.5 | L355 P359 T360 L361 A365 R366 E367 | L355-Q363 VanDerWaalsContact CD2-NE2 3.31Å; L355-Q363 VanDerWaalsContact CD2-OE1 3.27Å; P359-Q363 HydrophobicContact CB-CB 4.43Å; T360-Q363 WeakPolarHBondContact O-CA 3.44Å; T360-Q363 WeakPolarHBondContact O-CB 3.34Å; T360-Q363 PolarHBondContact O-N 3.02Å; T360-Q363 WeakPolarHBondContact OG1-CG 3.32Å; L361-Q363 VanDerWaalsContact C-N 3.33Å; L361-Q363 PolarHBondContact O-N 3.4Å; Q363-A365 VanDerWaalsContact C-N 3.3Å; Q363-A365 PolarHBondContact O-N 2.89Å; Q363-R366 PolarHBondContact O-N 2.97Å; Q363-E367 WeakPolarHBondContact O-CB 3.4Å; Q363-E367 PolarHBondContact O-N 2.94Å |
| 364 | V | 77.9 | Confident | 80.3 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 38% | 0.382 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.5 | -47.8 | 171.9 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | P359 T360 L361 E367 D368 | P359-V364 HydrophobicContact CB-CG2 3.96Å; P359-V364 HydrophobicContact CG-CG2 3.83Å; T360-V364 PolarHBondContact O-N 3.37Å; L361-V364 PolarHBondContact O-N 3.49Å; V364-E367 PolarHBondContact O-N 3.16Å; V364-D368 WeakPolarHBondContact O-CB 3.18Å; V364-D368 PolarHBondContact O-N 3.31Å |
| 365 | A | 77.8 | Confident | 80.1 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.7 | -38.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | L361 E362 Q363 H369 Y537 L541 | L361-A365 WeakPolarHBondContact O-CB 3.35Å; L361-A365 PolarHBondContact O-N 3.06Å; E362-A365 PolarHBondContact O-N 3.23Å; Q363-A365 VanDerWaalsContact C-N 3.3Å; Q363-A365 PolarHBondContact O-N 2.89Å; A365-H369 WeakPolarHBondContact O-CB 3.31Å; A365-H369 PolarHBondContact O-N 2.66Å; A365-Y537 VanDerWaalsContact CB-CB 3.45Å; A365-L541 HydrophobicContact CB-CD1 3.94Å |
| 366 | R | 81.8 | Confident | 80 | Confident | 133 Ų | 133 | 63.1 Ų | 63.1 | 50% | 0.502 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 175.5 | -79.3 | 179.6 | -167.1 | 155 | 15.8 | 112.2 | E362 Q363 H369 R370 L541 | E362-R366 WeakPolarHBondContact O-CB 3.5Å; E362-R366 VanDerWaalsContact O-CG 3.24Å; E362-R366 WeakPolarHBondContact O-CG 3.18Å; E362-R366 PolarHBondContact O-N 3.33Å; E362-R366 IonicContact OE2-CZ 3.49Å; E362-R366 IonicContact OE2-NH2 2.68Å; E362-R366 PolarHBondContact OE2-NH2 3.26Å; E362-R366 VanDerWaalsContact OE2-NH2 3.09Å; Q363-R366 PolarHBondContact O-N 2.97Å; R366-H369 PolarHBondContact O-N 3.07Å; R366-R370 VanDerWaalsContact O-CB 3.26Å; R366-R370 WeakPolarHBondContact O-CB 3.43Å; R366-R370 PolarHBondContact O-N 2.72Å; R366-L541 HydrophobicContact CB-CD1 4.25Å; R366-L541 HydrophobicContact CG-CD1 3.6Å; R366-L541 HydrophobicContact CG-CD2 3.78Å; R366-L541 HydrophobicContact CG-CG 4.36Å |
| 367 | E | 83.4 | Confident | 79.9 | Confident | 86 Ų | 86 | 64.3 Ų | 64.3 | 40% | 0.402 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.6 | -44.1 | 179 | -176.8 | 59.1 | -170.6 | 0 | 0 | 110.9 | Q363 V364 H369 R370 I371 | Q363-E367 WeakPolarHBondContact O-CB 3.4Å; Q363-E367 PolarHBondContact O-N 2.94Å; V364-E367 PolarHBondContact O-N 3.16Å; E367-H369 VanDerWaalsContact C-N 3.34Å; E367-H369 PolarHBondContact O-N 3.47Å; E367-R370 PolarHBondContact O-N 3.02Å; E367-R370 IonicContact OE1-CZ 3.01Å; E367-R370 IonicContact OE1-NE 3.81Å; E367-R370 PolarHBondContact OE1-NE 2.95Å; E367-R370 IonicContact OE1-NH2 2.59Å; E367-R370 PolarHBondContact OE1-NH2 3.4Å; E367-R370 IonicContact OE2-CZ 3.2Å; E367-R370 IonicContact OE2-NE 2.95Å; E367-R370 PolarHBondContact OE2-NE 3.05Å; E367-R370 IonicContact OE2-NH2 3.68Å; E367-I371 HydrophobicContact CG-CD1 4.12Å; E367-I371 VanDerWaalsContact O-CG1 3.27Å; E367-I371 WeakPolarHBondContact O-CG1 3.43Å; E367-I371 PolarHBondContact O-N 3.47Å |
| 368 | D | 82.8 | Confident | 79.7 | Confident | 16 Ų | 16 | 65.9 Ų | 65.9 | 9% | 0.086 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.8 | -47.7 | 171.8 | 176.6 | 72 | 0 | 0 | 0 | 111.6 | V364 R370 I371 N372 Q501 T502 | V364-D368 WeakPolarHBondContact O-CB 3.18Å; V364-D368 PolarHBondContact O-N 3.31Å; D368-R370 VanDerWaalsContact C-N 3.33Å; D368-R370 PolarHBondContact O-N 2.99Å; D368-I371 PolarHBondContact O-N 3.42Å; D368-N372 PolarHBondContact O-N 3.47Å; D368-N372 PolarHBondContact O-ND2 3.29Å; D368-N372 VanDerWaalsContact O-ND2 3.12Å; D368-N372 PolarHBondContact OD1-ND2 2.88Å; D368-N372 PolarHBondContact OD2-ND2 2.72Å; D368-Q501 WeakPolarHBondContact OD2-CA 3.49Å; D368-Q501 WeakPolarHBondContact OD2-CG 3.28Å; D368-T502 VanDerWaalsContact CG-O 3.28Å; D368-T502 WeakPolarHBondContact OD1-CB 3.48Å; D368-T502 PolarHBondContact OD1-N 2.87Å; D368-T502 PolarHBondContact OD1-OG1 3.27Å; D368-T502 PolarHBondContact OD2-N 3.3Å |
| 369 | H | 83.6 | Confident | 79.4 | Confident | 29 Ų | 29 | 63.6 Ų | 63.6 | 13% | 0.134 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 177.3 | -177.2 | 62 | 0 | 0 | 0 | 112.1 | A365 R366 E367 N372 L373 L541 | A365-H369 WeakPolarHBondContact O-CB 3.31Å; A365-H369 PolarHBondContact O-N 2.66Å; R366-H369 PolarHBondContact O-N 3.07Å; E367-H369 VanDerWaalsContact C-N 3.34Å; E367-H369 PolarHBondContact O-N 3.47Å; H369-N372 PolarHBondContact O-N 3.04Å; H369-L373 VanDerWaalsContact NE2-CD1 3.29Å; H369-L373 WeakPolarHBondContact NE2-CD1 3.31Å; H369-L373 WeakPolarHBondContact O-CB 3.43Å; H369-L373 WeakPolarHBondContact O-CG 3.49Å; H369-L373 PolarHBondContact O-N 3.27Å; H369-L541 HydrophobicContact CB-CB 4.2Å; H369-L541 HydrophobicContact CB-CD1 4.3Å; H369-L541 PolarHBondContact NE2-O 3.28Å |
| 370 | R | 83.5 | Confident | 79.2 | Confident | 122 Ų | 122 | 66.7 Ų | 66.7 | 46% | 0.46 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 176.7 | -171.8 | -166.6 | 70.6 | 74 | 0.4 | 111.5 | R366 E367 D368 L373 L374 | R366-R370 VanDerWaalsContact O-CB 3.26Å; R366-R370 WeakPolarHBondContact O-CB 3.43Å; R366-R370 PolarHBondContact O-N 2.72Å; E367-R370 PolarHBondContact O-N 3.02Å; E367-R370 IonicContact OE1-CZ 3.01Å; E367-R370 IonicContact OE1-NE 3.81Å; E367-R370 PolarHBondContact OE1-NE 2.95Å; E367-R370 IonicContact OE1-NH2 2.59Å; E367-R370 PolarHBondContact OE1-NH2 3.4Å; E367-R370 IonicContact OE2-CZ 3.2Å; E367-R370 IonicContact OE2-NE 2.95Å; E367-R370 PolarHBondContact OE2-NE 3.05Å; E367-R370 IonicContact OE2-NH2 3.68Å; D368-R370 VanDerWaalsContact C-N 3.33Å; D368-R370 PolarHBondContact O-N 2.99Å; R370-L373 PolarHBondContact O-N 2.62Å; R370-L374 WeakPolarHBondContact O-CB 3.43Å; R370-L374 PolarHBondContact O-N 3.33Å |
| 371 | I | 82.3 | Confident | 78.7 | Confident | 50 Ų | 50 | 71.5 Ų | 71.5 | 26% | 0.256 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.7 | -49.4 | 175.6 | -70.8 | 166 | 0 | 0 | 0 | 109.6 | E367 D368 L373 L374 H375 | E367-I371 HydrophobicContact CG-CD1 4.12Å; E367-I371 VanDerWaalsContact O-CG1 3.27Å; E367-I371 WeakPolarHBondContact O-CG1 3.43Å; E367-I371 PolarHBondContact O-N 3.47Å; D368-I371 PolarHBondContact O-N 3.42Å; I371-L373 VanDerWaalsContact C-N 3.34Å; I371-L373 PolarHBondContact O-N 3.01Å; I371-L374 PolarHBondContact O-N 3.46Å; I371-H375 PolarHBondContact O-CD2 2.9Å; I371-H375 PolarHBondContact O-N 3.25Å |
| 372 | N | 81.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.2 | -38.3 | 179 | -69 | -37.7 | 0 | 0 | 0 | 112.1 | D368 H369 Q376 | D368-N372 PolarHBondContact O-N 3.47Å; D368-N372 PolarHBondContact O-ND2 3.29Å; D368-N372 VanDerWaalsContact O-ND2 3.12Å; D368-N372 PolarHBondContact OD1-ND2 2.88Å; D368-N372 PolarHBondContact OD2-ND2 2.72Å; H369-N372 PolarHBondContact O-N 3.04Å; N372-Q376 WeakPolarHBondContact O-CB 3.26Å; N372-Q376 VanDerWaalsContact O-CG 3.23Å; N372-Q376 WeakPolarHBondContact O-CG 3.31Å; N372-Q376 PolarHBondContact O-N 3.34Å |
| 373 | L | 81.1 | Confident | 78.4 | Confident | 61 Ų | 61 | 82.8 Ų | 82.8 | 32% | 0.319 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 173.1 | -78 | -178.7 | 0 | 0 | 0 | 112.4 | H369 R370 I371 H375 Q376 F377 | H369-L373 VanDerWaalsContact NE2-CD1 3.29Å; H369-L373 WeakPolarHBondContact NE2-CD1 3.31Å; H369-L373 WeakPolarHBondContact O-CB 3.43Å; H369-L373 WeakPolarHBondContact O-CG 3.49Å; H369-L373 PolarHBondContact O-N 3.27Å; R370-L373 PolarHBondContact O-N 2.62Å; I371-L373 VanDerWaalsContact C-N 3.34Å; I371-L373 PolarHBondContact O-N 3.01Å; L373-H375 VanDerWaalsContact C-N 3.3Å; L373-H375 PolarHBondContact O-N 3.27Å; L373-Q376 WeakPolarHBondContact O-CB 3.44Å; L373-Q376 PolarHBondContact O-N 3.32Å; L373-Q376 VanDerWaalsContact O-N 3.08Å; L373-F377 HydrophobicContact CB-CE2 4.45Å; L373-F377 WeakPolarHBondContact O-CD2 3.36Å; L373-F377 PolarHBondContact O-N 2.9Å |
| 374 | L | 83.4 | Confident | 78.1 | Confident | 97 Ų | 97 | 82.3 Ų | 82.3 | 51% | 0.508 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 179 | -171.6 | 128.8 | 0 | 0 | 0 | 110.8 | R370 I371 F377 | R370-L374 WeakPolarHBondContact O-CB 3.43Å; R370-L374 PolarHBondContact O-N 3.33Å; I371-L374 PolarHBondContact O-N 3.46Å; L374-F377 PolarHBondContact O-N 3.47Å |
| 375 | H | 81.7 | Confident | 77.7 | Confident | 40 Ų | 40 | 83.5 Ų | 83.5 | 19% | 0.185 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 172.1 | -71.1 | -59.5 | 0 | 0 | 0 | 112.4 | I371 L373 F377 T378 Q494 I495 | I371-H375 PolarHBondContact O-CD2 2.9Å; I371-H375 PolarHBondContact O-N 3.25Å; L373-H375 VanDerWaalsContact C-N 3.3Å; L373-H375 PolarHBondContact O-N 3.27Å; H375-F377 VanDerWaalsContact C-N 3.35Å; H375-F377 PolarHBondContact O-N 2.84Å; H375-T378 PolarHBondContact O-N 3.24Å; H375-T378 VanDerWaalsContact O-N 3.17Å; H375-T378 PolarHBondContact O-OG1 3.43Å; H375-Q494 PolarHBondContact CD2-O 3.38Å; H375-I495 WeakPolarHBondContact CB-O 3.41Å; H375-I495 PolarHBondContact ND1-O 3.08Å; H375-I495 VanDerWaalsContact ND1-O 3.15Å |
| 376 | Q | 77.2 | Confident | 77.2 | Confident | 36 Ų | 36 | 83.8 Ų | 83.8 | 17% | 0.168 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.7 | -36.1 | 175.9 | -75.1 | 172.2 | 44.6 | 0 | 0 | 113.1 | N372 L373 T378 K379 R384 G497 | N372-Q376 WeakPolarHBondContact O-CB 3.26Å; N372-Q376 VanDerWaalsContact O-CG 3.23Å; N372-Q376 WeakPolarHBondContact O-CG 3.31Å; N372-Q376 PolarHBondContact O-N 3.34Å; L373-Q376 WeakPolarHBondContact O-CB 3.44Å; L373-Q376 PolarHBondContact O-N 3.32Å; L373-Q376 VanDerWaalsContact O-N 3.08Å; Q376-T378 PolarHBondContact O-N 2.91Å; Q376-K379 WeakPolarHBondContact O-CB 3.31Å; Q376-K379 PolarHBondContact O-N 2.95Å; Q376-R384 VanDerWaalsContact CD-NH2 3.35Å; Q376-G497 WeakPolarHBondContact CG-O 3.45Å |
| 377 | F | 77.7 | Confident | 76.2 | Confident | 146 Ų | 146 | 80.8 Ų | 80.8 | 64% | 0.64 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.4 | -18.1 | 176.5 | -79 | -63.9 | 0 | 0 | 0 | 113.8 | L373 L374 H375 K379 | L373-F377 HydrophobicContact CB-CE2 4.45Å; L373-F377 WeakPolarHBondContact O-CD2 3.36Å; L373-F377 PolarHBondContact O-N 2.9Å; L374-F377 PolarHBondContact O-N 3.47Å; H375-F377 VanDerWaalsContact C-N 3.35Å; H375-F377 PolarHBondContact O-N 2.84Å; F377-K379 PolarHBondContact O-N 3.14Å |
| 378 | T | 75.9 | Confident | 75 | Confident | 104 Ų | 104 | 80 Ų | 80 | 64% | 0.638 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -2 | 172.4 | 70.3 | 0 | 0 | 0 | 0 | 113.1 | H375 Q376 | H375-T378 PolarHBondContact O-N 3.24Å; H375-T378 VanDerWaalsContact O-N 3.17Å; H375-T378 PolarHBondContact O-OG1 3.43Å; Q376-T378 PolarHBondContact O-N 2.91Å |
| 379 | K | 70.4 | Confident | 73.7 | Confident | 78 Ų | 78 | 85.9 Ų | 85.9 | 34% | 0.339 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -117.8 | 155.9 | -175.4 | -66.8 | -165.3 | 167 | -169.8 | 0 | 113.3 | Q376 F377 Q381 D496 | Q376-K379 WeakPolarHBondContact O-CB 3.31Å; Q376-K379 PolarHBondContact O-N 2.95Å; F377-K379 PolarHBondContact O-N 3.14Å; K379-Q381 PolarHBondContact O-N 3.26Å; K379-D496 VanDerWaalsContact CD-O 3.25Å; K379-D496 WeakPolarHBondContact CD-O 3.35Å; K379-D496 WeakPolarHBondContact CE-O 3.18Å; K379-D496 VanDerWaalsContact NZ-CA 3.3Å; K379-D496 PolarHBondContact NZ-O 3.38Å; K379-D496 IonicContact NZ-OD1 2.79Å; K379-D496 PolarHBondContact NZ-OD1 2.95Å |
| 380 | P | 72.1 | Confident | 72.5 | Confident | 125 Ų | 125 | 88.6 Ų | 88.6 | 81% | 0.812 | 45% | 0.449 | S | S | * | . | trans | -61.7 | 128 | 172.1 | 24.5 | -32.8 | 0 | 0 | 0 | 110.4 | R382 | P380-R382 PolarHBondContact O-N 3.11Š| ||
| 381 | Q | 70.3 | Confident | 71 | Confident | 168 Ų | 168 | 90.2 Ų | 90.2 | 79% | 0.785 | 47% | 0.465 | S | S | * | . | trans | -70.1 | 124 | 177.8 | -63.6 | -167.8 | -5.5 | 0 | 0 | 109.6 | K379 | K379-Q381 PolarHBondContact O-N 3.26Š| ||
| 382 | R | 73.1 | Confident | 69.7 | Low | 165 Ų | 165 | 93.9 Ų | 93.9 | 62% | 0.623 | 49% | 0.485 | S | S | * | . | trans | -116.8 | 145 | 169.2 | 71.9 | 177.6 | -170.5 | -173.4 | 1.7 | 109.5 | P380 R384 E518 | P380-R382 PolarHBondContact O-N 3.11Å; R382-R384 PolarHBondContact O-N 3.28Å; R382-E518 IonicContact CZ-OE1 2.83Å; R382-E518 IonicContact CZ-OE2 3.58Å; R382-E518 IonicContact NE-OE1 3.27Å; R382-E518 IonicContact NH2-OE1 3.88Å; R382-E518 PolarHBondContact NH2-OE1 3.48Å; R382-E518 IonicContact NH2-OE2 2.77Å; R382-E518 PolarHBondContact NH2-OE2 3.47Å | ||
| 383 | L | 70.5 | Confident | 68.6 | Low | 155 Ų | 155 | 97.3 Ų | 97.3 | 81% | 0.812 | 51% | 0.506 | S | S | * | . | trans | -63.7 | 127.3 | 165.7 | -169.2 | 71 | 0 | 0 | 0 | 107.7 | T387 | L383-T387 WeakPolarHBondContact CD1-OG1 3.28Å; L383-T387 WeakPolarHBondContact CG-OG1 3.27Å | ||
| 384 | R | 72.4 | Confident | 67.5 | Low | 53 Ų | 53 | 97 Ų | 97 | 20% | 0.2 | 51% | 0.508 | C | S | . | . | trans | -92.1 | 147.6 | -178.5 | -60.5 | -171.4 | 171.8 | 129.2 | 1.3 | 109.9 | Q376 R382 C386 T387 W514 E518 | Q376-R384 VanDerWaalsContact CD-NH2 3.35Å; R382-R384 PolarHBondContact O-N 3.28Å; R384-C386 WeakPolarHBondContact CB-SG 3.34Å; R384-C386 PolarHBondContact O-N 3.02Å; R384-C386 VanDerWaalsContact O-N 3.11Å; R384-T387 HydrophobicContact CB-CG2 4.18Å; R384-T387 PolarHBondContact N-OG1 3.11Å; R384-T387 WeakPolarHBondContact O-CA 3.41Å; R384-T387 WeakPolarHBondContact O-CB 3.33Å; R384-T387 PolarHBondContact O-N 3.03Å; R384-T387 PolarHBondContact O-OG1 3.46Å; R384-W514 VanDerWaalsContact CZ-CD2 3.49Å; R384-W514 VanDerWaalsContact CZ-CE2 3.42Å; R384-W514 VanDerWaalsContact NH1-CD2 3.33Å; R384-E518 HydrophobicContact CB-CG 4.31Å; R384-E518 WeakPolarHBondContact CB-OE1 3.49Å; R384-E518 WeakPolarHBondContact CD-OE1 3.45Å; R384-E518 VanDerWaalsContact CG-OE1 3.24Å; R384-E518 WeakPolarHBondContact CG-OE1 3.36Å; R384-E518 IonicContact NE-OE1 2.75Å | ||
| 385 | D | 70.1 | Confident | 66.6 | Low | 88 Ų | 88 | 93.5 Ų | 93.5 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.8 | 177.2 | -60.9 | -51.4 | 0 | 0 | 0 | 113.1 | T387 A521 R522 | D385-T387 VanDerWaalsContact C-N 3.31Å; D385-A521 HydrophobicContact CB-CB 4.48Å; D385-R522 HydrophobicContact CB-CG 4.09Å; D385-R522 IonicContact OD2-CZ 3.83Å; D385-R522 IonicContact OD2-NE 3.72Å; D385-R522 PolarHBondContact OD2-NE 2.8Å; D385-R522 IonicContact OD2-NH2 3.68Å; D385-R522 PolarHBondContact OD2-NH2 3.35Å |
| 386 | C | 66 | Low | 66.3 | Low | 8 Ų | 8 | 93.2 Ų | 93.2 | 5% | 0.054 | 49% | 0.49 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -8.9 | 171.2 | 62.1 | 0 | 0 | 0 | 0 | 113.5 | R384 L388 W514 L517 A521 | R384-C386 WeakPolarHBondContact CB-SG 3.34Å; R384-C386 PolarHBondContact O-N 3.02Å; R384-C386 VanDerWaalsContact O-N 3.11Å; C386-L388 PolarHBondContact O-N 3.39Å; C386-W514 WeakPolarHBondContact SG-CZ3 3.36Å; C386-L517 HydrophobicContact CB-CD2 4.37Å; C386-L517 HydrophobicContact CB-CG 4.32Å; C386-A521 HydrophobicContact CB-CB 4.24Å |
| 387 | T | 62.4 | Low | 66.8 | Low | 70 Ų | 70 | 91.7 Ų | 91.7 | 43% | 0.429 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -78.1 | 115.6 | 168 | 58 | 0 | 0 | 0 | 0 | 108.1 | L383 R384 D385 | L383-T387 WeakPolarHBondContact CD1-OG1 3.28Å; L383-T387 WeakPolarHBondContact CG-OG1 3.27Å; R384-T387 HydrophobicContact CB-CG2 4.18Å; R384-T387 PolarHBondContact N-OG1 3.11Å; R384-T387 WeakPolarHBondContact O-CA 3.41Å; R384-T387 WeakPolarHBondContact O-CB 3.33Å; R384-T387 PolarHBondContact O-N 3.03Å; R384-T387 PolarHBondContact O-OG1 3.46Å; D385-T387 VanDerWaalsContact C-N 3.31Å |
| 388 | L | 58.3 | Low | 67.4 | Low | 68 Ų | 68 | 85.3 Ų | 85.3 | 36% | 0.356 | 46% | 0.455 | S | S | . | . | trans | -79.6 | 159 | -172.4 | -61.4 | 119.5 | 0 | 0 | 0 | 110.8 | C386 N390 T393 Y395 | C386-L388 PolarHBondContact O-N 3.39Å; L388-N390 PolarHBondContact O-N 3.44Å; L388-T393 WeakPolarHBondContact CD1-O 3.27Å; L388-T393 WeakPolarHBondContact CD2-O 3.44Å; L388-T393 WeakPolarHBondContact CG-O 3.16Å; L388-Y395 HydrophobicContact CD2-CD2 4.49Å | ||
| 389 | P | 55.4 | Low | 68.2 | Low | 141 Ų | 141 | 80.3 Ų | 80.3 | 92% | 0.916 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -64.3 | -25.1 | 173.6 | 23.7 | -32.8 | 0 | 0 | 0 | 113.3 | ||
| 390 | N | 57.4 | Low | 69.3 | Low | 85 Ų | 85 | 76.6 Ų | 76.6 | 46% | 0.455 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -125.4 | 138.4 | 177.6 | -170.8 | 1.3 | 0 | 0 | 0 | 111.5 | L388 D392 T393 | L388-N390 PolarHBondContact O-N 3.44Å; N390-D392 PolarHBondContact O-N 3.45Å; N390-D392 PolarHBondContact OD1-N 2.92Å; N390-T393 PolarHBondContact O-OG1 3.18Å |
| 391 | I | 52.6 | Low | 70.3 | Confident | 156 Ų | 156 | 70.7 Ų | 70.7 | 80% | 0.8 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -29.6 | 179.1 | -65.8 | 164.9 | 0 | 0 | 0 | 112.2 | ||
| 392 | D | 54.5 | Low | 71.3 | Confident | 128 Ų | 128 | 62.7 Ų | 62.7 | 68% | 0.684 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -9.2 | -170.6 | -68.3 | -32.3 | 0 | 0 | 0 | 115.2 | N390 P394 | N390-D392 PolarHBondContact O-N 3.45Å; N390-D392 PolarHBondContact OD1-N 2.92Å; D392-P394 VanDerWaalsContact O-CD 3.26Å; D392-P394 WeakPolarHBondContact O-CD 3.34Å |
| 393 | T | 58.3 | Low | 72.1 | Confident | 72 Ų | 72 | 54.8 Ų | 54.8 | 44% | 0.442 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -116.5 | 81.1 | -174 | 41.3 | 0 | 0 | 0 | 0 | 112 | L388 N390 | L388-T393 WeakPolarHBondContact CD1-O 3.27Å; L388-T393 WeakPolarHBondContact CD2-O 3.44Å; L388-T393 WeakPolarHBondContact CG-O 3.16Å; N390-T393 PolarHBondContact O-OG1 3.18Å |
| 394 | P | 57.6 | Low | 72.7 | Confident | 54 Ų | 54 | 49.1 Ų | 49.1 | 35% | 0.351 | 27% | 0.274 | S | S | . | . | trans | -59.1 | 148.4 | -179.7 | 24.4 | -33.2 | 0 | 0 | 0 | 112.1 | D392 K545 | D392-P394 VanDerWaalsContact O-CD 3.26Å; D392-P394 WeakPolarHBondContact O-CD 3.34Å; P394-K545 HydrophobicContact CB-CB 4.21Å; P394-K545 HydrophobicContact CG-CB 4.3Å | ||
| 395 | Y | 64.9 | Low | 73 | Confident | 24 Ų | 24 | 47.2 Ų | 47.2 | 9% | 0.094 | 27% | 0.271 | C | S | . | . | trans | -64.6 | 126.9 | 174.4 | -168.3 | -91.9 | 0 | 0 | 0 | 107.3 | L388 I397 L517 I520 A521 L525 | L388-Y395 HydrophobicContact CD2-CD2 4.49Å; Y395-I397 PolarHBondContact O-N 3.02Å; Y395-L517 HydrophobicContact CD1-CD1 4.36Å; Y395-I520 HydrophobicContact CE1-CG2 4.09Å; Y395-I520 VanDerWaalsContact OH-C 3.31Å; Y395-I520 PolarHBondContact OH-O 2.55Å; Y395-A521 HydrophobicContact CD2-CB 4.25Å; Y395-A521 HydrophobicContact CE2-CB 3.89Å; Y395-A521 WeakPolarHBondContact OH-CA 3.06Å; Y395-A521 PolarHBondContact OH-N 2.89Å; Y395-L525 WeakPolarHBondContact CE1-O 2.88Å; Y395-L525 VanDerWaalsContact CZ-O 3.28Å; Y395-L525 VanDerWaalsContact OH-C 3.25Å; Y395-L525 PolarHBondContact OH-N 3.45Å; Y395-L525 PolarHBondContact OH-O 2.89Å | ||
| 396 | P | 75.8 | Confident | 73.6 | Confident | 34 Ų | 34 | 43.6 Ų | 43.6 | 22% | 0.221 | 25% | 0.252 | C | S | . | . | trans | -66.8 | 108.6 | -170.4 | 25 | -32.6 | 0 | 0 | 0 | 110.3 | A526 G527 | P396-A526 HydrophobicContact CB-CB 3.74Å; P396-A526 HydrophobicContact CG-CB 3.69Å; P396-A526 CarbonylContact O-C 3.58Å; P396-A526 WeakPolarHBondContact O-CA 3.39Å; P396-A526 VanDerWaalsContact O-CB 3.29Å; P396-A526 WeakPolarHBondContact O-CB 3.47Å; P396-G527 PolarHBondContact O-N 2.71Å; P396-G527 VanDerWaalsContact O-N 3.08Å | ||
| 397 | I | 87.2 | Confident | 74.4 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 125.9 | 168 | -59.2 | 177.6 | 0 | 0 | 0 | 107.4 | Y395 L517 G527 V529 L539 L544 P546 R547 | Y395-I397 PolarHBondContact O-N 3.02Å; I397-L517 HydrophobicContact CD1-CD1 3.79Å; I397-L517 HydrophobicContact CD1-CD2 4.01Å; I397-L517 HydrophobicContact CG1-CD1 4.07Å; I397-G527 WeakPolarHBondContact CA-O 3.5Å; I397-V529 HydrophobicContact CG2-CG1 3.86Å; I397-L539 HydrophobicContact CG2-CD1 4.49Å; I397-L544 HydrophobicContact CD1-CB 3.96Å; I397-L544 HydrophobicContact CD1-CD1 3.93Å; I397-L544 HydrophobicContact CD1-CD2 4.42Å; I397-L544 HydrophobicContact CD1-CG 4.33Å; I397-P546 HydrophobicContact CB-CB 3.97Å; I397-P546 HydrophobicContact CG2-CB 3.92Å; I397-P546 WeakPolarHBondContact O-CA 3.27Å; I397-R547 PolarHBondContact O-N 3.17Å |
| 398 | L | 90 | Very high | 75.6 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 112 | 171.5 | -175.4 | 67.2 | 0 | 0 | 0 | 109 | F423 G527 I528 V529 R547 I549 I637 | L398-F423 HydrophobicContact CB-CE1 4.18Å; L398-F423 HydrophobicContact CD2-CE1 4.28Å; L398-G527 PolarHBondContact N-O 3.34Å; L398-I528 HydrophobicContact CB-CG1 4.27Å; L398-I528 HydrophobicContact CD2-CD1 4.21Å; L398-I528 HydrophobicContact CD2-CG1 4.27Å; L398-I528 CarbonylContact O-C 3.6Å; L398-I528 WeakPolarHBondContact O-CA 3.36Å; L398-V529 PolarHBondContact O-N 2.99Å; L398-R547 CarbonylContact C-O 3.55Å; L398-R547 WeakPolarHBondContact CA-O 3.44Å; L398-R547 HydrophobicContact CD1-CB 4.14Å; L398-I549 HydrophobicContact CD1-CD1 3.74Å; L398-I549 HydrophobicContact CD1-CG1 4.21Å; L398-I637 HydrophobicContact CD2-CD1 3.6Å; L398-I637 HydrophobicContact CD2-CG1 4.07Å |
| 399 | A | 92.2 | Very high | 76.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 112.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.6 | I401 V529 L539 P546 R547 S548 I549 | A399-I401 HydrophobicContact CB-CD1 4.05Å; A399-I401 HydrophobicContact CB-CG1 4.28Å; A399-V529 CarbonylContact C-O 3.34Å; A399-V529 WeakPolarHBondContact CA-O 3.46Å; A399-V529 HydrophobicContact CB-CG1 3.77Å; A399-L539 HydrophobicContact CB-CD1 4.44Å; A399-P546 HydrophobicContact CB-CB 4.13Å; A399-R547 PolarHBondContact N-O 3.26Å; A399-S548 VanDerWaalsContact O-CA 3.31Å; A399-S548 WeakPolarHBondContact O-CA 3.4Å; A399-I549 PolarHBondContact O-N 3.28Å |
| 400 | I | 93.9 | Very high | 78.2 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 105.9 | 171.7 | -54.8 | 172.8 | 0 | 0 | 0 | 107.6 | K408 L415 I528 V529 V530 G531 L633 | I400-K408 HydrophobicContact CG2-CB 4.31Å; I400-K408 HydrophobicContact CG2-CD 4.24Å; I400-K408 HydrophobicContact CG2-CG 4.3Å; I400-L415 HydrophobicContact CD1-CD1 4.08Å; I400-I528 HydrophobicContact CD1-CG2 3.86Å; I400-I528 HydrophobicContact CG1-CG2 4.25Å; I400-V529 PolarHBondContact N-O 3.21Å; I400-V530 HydrophobicContact CB-CG2 4.23Å; I400-V530 HydrophobicContact CD1-CG2 4.43Å; I400-V530 WeakPolarHBondContact O-CA 3.49Å; I400-G531 PolarHBondContact O-N 3.46Å; I400-G531 VanDerWaalsContact O-N 3.11Å; I400-L633 HydrophobicContact CD1-CD2 3.9Å |
| 401 | I | 93.5 | Very high | 79.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 139.3 | -174.6 | -55.5 | -58.9 | 0 | 0 | 0 | 109.4 | A399 G531 L533 L535 L536 I549 L550 C551 Y606 F617 | A399-I401 HydrophobicContact CB-CD1 4.05Å; A399-I401 HydrophobicContact CB-CG1 4.28Å; I401-G531 WeakPolarHBondContact CA-O 3.39Å; I401-L533 HydrophobicContact CG2-CD2 4.06Å; I401-L533 HydrophobicContact CG2-CG 4.43Å; I401-L535 HydrophobicContact CD1-CB 4.46Å; I401-L535 HydrophobicContact CD1-CD2 4.32Å; I401-L536 HydrophobicContact CD1-CB 3.89Å; I401-L536 HydrophobicContact CG1-CB 4.07Å; I401-L536 HydrophobicContact CG1-CD2 4.34Å; I401-I549 PolarHBondContact N-O 3.25Å; I401-L550 HydrophobicContact CG2-CD1 4.35Å; I401-L550 CarbonylContact O-C 3.34Å; I401-L550 WeakPolarHBondContact O-CA 3.4Å; I401-C551 PolarHBondContact O-N 2.69Å; I401-Y606 HydrophobicContact CG2-CE1 4.26Å; I401-F617 HydrophobicContact CB-CE1 4.26Å; I401-F617 HydrophobicContact CG2-CE1 4.08Å |
| 402 | G | 91.1 | Very high | 81.5 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | 167.8 | 173.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | K408 G531 C551 Y606 | G402-K408 WeakPolarHBondContact O-CE 3.36Å; G402-K408 PolarHBondContact O-NZ 3.01Å; G402-G531 PolarHBondContact N-O 3.09Å; G402-G531 VanDerWaalsContact N-O 3.11Å; G402-C551 WeakPolarHBondContact CA-O 3.38Å; G402-Y606 PolarHBondContact O-OH 3.08Å | ||
| 403 | P | 89.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -76.3 | 167.2 | -176.2 | 37.1 | -44.1 | 0 | 0 | 0 | 112.6 | I406 K408 C551 Y559 T602 Y606 | P403-I406 VanDerWaalsContact CD-CD1 3.45Å; P403-I406 HydrophobicContact CG-CD1 3.61Å; P403-I406 HydrophobicContact CG-CG1 4.34Å; P403-K408 PolarHBondContact O-NZ 3.43Å; P403-C551 WeakPolarHBondContact CD-O 3.19Å; P403-Y559 VanDerWaalsContact CB-OH 3.25Å; P403-Y559 WeakPolarHBondContact CB-OH 3.15Å; P403-Y559 HydrophobicContact CG-CE2 4.23Å; P403-T602 VanDerWaalsContact CB-OG1 3.24Å; P403-T602 WeakPolarHBondContact CB-OG1 3.46Å; P403-T602 HydrophobicContact CG-CG2 3.96Å; P403-T602 VanDerWaalsContact CG-OG1 3.32Å; P403-T602 WeakPolarHBondContact CG-OG1 3.44Å; P403-Y606 HydrophobicContact CB-CE2 3.83Å; P403-Y606 HydrophobicContact CG-CE2 4.39Å | ||
| 404 | V | 83 | Confident | 84.4 | Confident | 35 Ų | 35 | 27.7 Ų | 27.7 | 21% | 0.212 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 131.9 | -177.9 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | M506 E532 Y559 Y598 | V404-M506 HydrophobicContact CB-CE 4.29Å; V404-M506 HydrophobicContact CG1-CE 4.02Å; V404-M506 HydrophobicContact CG2-CE 4.28Å; V404-E532 VanDerWaalsContact CG2-OE1 3.22Å; V404-E532 WeakPolarHBondContact CG2-OE1 3.45Å; V404-Y559 WeakPolarHBondContact O-CE2 3.39Å; V404-Y559 PolarHBondContact O-OH 2.83Å; V404-Y598 HydrophobicContact CB-CE1 4.28Å; V404-Y598 HydrophobicContact CG2-CE1 3.8Å |
| 405 | G | 79.5 | Confident | 85.7 | Confident | 13 Ų | 13 | 25.1 Ų | 25.1 | 13% | 0.134 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 116.4 | -20.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | N407 V562 | G405-N407 PolarHBondContact O-N 2.88Å; G405-V562 WeakPolarHBondContact O-CG1 3.33Å |
| 406 | I | 81.8 | Confident | 86.8 | Confident | 13 Ų | 13 | 24.8 Ų | 24.8 | 7% | 0.067 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -71 | 13 | 177.7 | -52.6 | 169.9 | 0 | 0 | 0 | 112.7 | P403 K408 C551 Y559 L629 | P403-I406 VanDerWaalsContact CD-CD1 3.45Å; P403-I406 HydrophobicContact CG-CD1 3.61Å; P403-I406 HydrophobicContact CG-CG1 4.34Å; I406-K408 HydrophobicContact CB-CG 4.25Å; I406-K408 PolarHBondContact O-N 3.36Å; I406-C551 HydrophobicContact CD1-CB 4.42Å; I406-C551 WeakPolarHBondContact CD1-O 3.49Å; I406-C551 HydrophobicContact CG2-CB 4.24Å; I406-Y559 HydrophobicContact CG1-CE2 4.36Å; I406-L629 HydrophobicContact CG2-CD1 3.41Å; I406-L629 VanDerWaalsContact CG2-CD1 3.41Å |
| 407 | N | 82.8 | Confident | 87.3 | Confident | 72 Ų | 72 | 29.2 Ų | 29.2 | 39% | 0.385 | 14% | 0.141 | S | C | . | . | trans | 51.7 | 30.1 | -178.5 | -67.5 | -33.7 | 0 | 0 | 0 | 114.4 | G405 R409 Q410 L411 T626 | G405-N407 PolarHBondContact O-N 2.88Å; N407-R409 PolarHBondContact O-N 2.92Å; N407-Q410 HydrophobicContact CB-CB 4.28Å; N407-Q410 HydrophobicContact CB-CG 4.46Å; N407-Q410 WeakPolarHBondContact O-CA 3.46Å; N407-Q410 WeakPolarHBondContact O-CB 3.49Å; N407-Q410 PolarHBondContact O-N 3.15Å; N407-L411 PolarHBondContact O-N 2.89Å; N407-L411 VanDerWaalsContact O-N 3.1Å; N407-T626 HydrophobicContact CB-CG2 3.55Å; N407-T626 WeakPolarHBondContact ND2-CG2 3.49Å | ||
| 408 | K | 88.5 | Confident | 87.2 | Confident | 17 Ų | 17 | 35.2 Ų | 35.2 | 7% | 0.074 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -49.3 | -31.6 | 176.5 | -56.7 | -173 | -59.2 | -82.2 | 0 | 113.3 | I400 G402 P403 I406 L411 R412 V530 G531 | I400-K408 HydrophobicContact CG2-CB 4.31Å; I400-K408 HydrophobicContact CG2-CD 4.24Å; I400-K408 HydrophobicContact CG2-CG 4.3Å; G402-K408 WeakPolarHBondContact O-CE 3.36Å; G402-K408 PolarHBondContact O-NZ 3.01Å; P403-K408 PolarHBondContact O-NZ 3.43Å; I406-K408 HydrophobicContact CB-CG 4.25Å; I406-K408 PolarHBondContact O-N 3.36Å; K408-L411 WeakPolarHBondContact O-CB 3.37Å; K408-L411 PolarHBondContact O-N 2.88Å; K408-R412 PolarHBondContact O-N 3.22Å; K408-V530 HydrophobicContact CB-CB 4.45Å; K408-V530 HydrophobicContact CB-CG1 3.28Å; K408-V530 HydrophobicContact CB-CG2 4.33Å; K408-V530 HydrophobicContact CD-CG1 4.04Å; K408-V530 VanDerWaalsContact CE-CG1 3.47Å; K408-V530 HydrophobicContact CG-CG1 4.28Å; K408-V530 WeakPolarHBondContact O-CG2 3.13Å; K408-G531 VanDerWaalsContact CE-O 3.32Å; K408-G531 WeakPolarHBondContact CE-O 3.34Å |
| 409 | R | 84.4 | Confident | 86.9 | Confident | 70 Ų | 70 | 35.6 Ų | 35.6 | 26% | 0.264 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.9 | -43.1 | 173.5 | -176.5 | 177.5 | 61.2 | 83 | 7.3 | 112.7 | N407 K413 D481 | N407-R409 PolarHBondContact O-N 2.92Å; R409-K413 WeakPolarHBondContact O-CG 3.31Å; R409-K413 PolarHBondContact O-N 3.48Å; R409-K413 VanDerWaalsContact O-N 3.08Å; R409-D481 WeakPolarHBondContact CD-OD1 3.2Å; R409-D481 IonicContact CZ-OD1 3.48Å; R409-D481 IonicContact NE-OD1 3.63Å; R409-D481 IonicContact NH1-OD1 3.14Å; R409-D481 PolarHBondContact NH1-OD1 2.74Å |
| 410 | Q | 84.6 | Confident | 86.5 | Confident | 71 Ų | 71 | 40 Ų | 40 | 33% | 0.332 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.3 | -41 | 174.1 | -71.3 | -178.4 | -29.2 | 0 | 0 | 110.8 | N407 R412 K413 F414 | N407-Q410 HydrophobicContact CB-CB 4.28Å; N407-Q410 HydrophobicContact CB-CG 4.46Å; N407-Q410 WeakPolarHBondContact O-CA 3.46Å; N407-Q410 WeakPolarHBondContact O-CB 3.49Å; N407-Q410 PolarHBondContact O-N 3.15Å; Q410-R412 VanDerWaalsContact C-N 3.34Å; Q410-R412 PolarHBondContact O-N 2.83Å; Q410-K413 PolarHBondContact O-N 3.22Å; Q410-K413 VanDerWaalsContact O-N 3.1Å; Q410-F414 HydrophobicContact CB-CD2 4.3Å; Q410-F414 HydrophobicContact CB-CE2 4.02Å; Q410-F414 WeakPolarHBondContact O-CD2 3.26Å; Q410-F414 WeakPolarHBondContact O-CG 3.27Å; Q410-F414 PolarHBondContact O-N 3.37Å |
| 411 | L | 87.6 | Confident | 85.9 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55 | -48.1 | 174.3 | -66.8 | 176.9 | 0 | 0 | 0 | 111.8 | N407 K408 K413 F414 L415 T626 L629 F630 L633 | N407-L411 PolarHBondContact O-N 2.89Å; N407-L411 VanDerWaalsContact O-N 3.1Å; K408-L411 WeakPolarHBondContact O-CB 3.37Å; K408-L411 PolarHBondContact O-N 2.88Å; L411-K413 PolarHBondContact O-N 3.35Å; L411-F414 PolarHBondContact O-N 3.39Å; L411-L415 WeakPolarHBondContact O-CB 3.05Å; L411-L415 WeakPolarHBondContact O-CG 3.43Å; L411-L415 PolarHBondContact O-N 3.29Å; L411-T626 WeakPolarHBondContact CD2-O 3.13Å; L411-L629 HydrophobicContact CD1-CB 4.15Å; L411-L629 HydrophobicContact CD1-CD1 4.23Å; L411-L629 HydrophobicContact CD2-CB 4Å; L411-F630 HydrophobicContact CD2-CB 3.78Å; L411-L633 HydrophobicContact CB-CD2 4.4Å |
| 412 | R | 90.7 | Very high | 85.4 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 2% | 0.023 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.3 | -47.4 | 174 | 179 | -174.5 | 71.3 | -163.3 | 4 | 112.2 | K408 Q410 F414 L415 C416 P425 D481 I528 V530 | K408-R412 PolarHBondContact O-N 3.22Å; Q410-R412 VanDerWaalsContact C-N 3.34Å; Q410-R412 PolarHBondContact O-N 2.83Å; R412-F414 PolarHBondContact O-N 3.04Å; R412-L415 PolarHBondContact O-N 2.86Å; R412-C416 PolarHBondContact O-N 2.9Å; R412-C416 PolarHBondContact O-SG 2.64Å; R412-C416 VanDerWaalsContact O-SG 3.39Å; R412-P425 HydrophobicContact CG-CB 4.16Å; R412-D481 PolarHBondContact NH2-O 2.87Å; R412-I528 HydrophobicContact CB-CG2 4.2Å; R412-I528 VanDerWaalsContact CD-O 3.24Å; R412-I528 WeakPolarHBondContact CD-O 3.23Å; R412-I528 HydrophobicContact CG-CB 4.01Å; R412-I528 HydrophobicContact CG-CG2 3.74Å; R412-V530 HydrophobicContact CB-CG2 3.72Å; R412-V530 HydrophobicContact CG-CG2 4.34Å |
| 413 | K | 87.7 | Confident | 85.2 | Confident | 64 Ų | 64 | 51.8 Ų | 51.8 | 28% | 0.278 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.3 | -47.1 | 179.8 | -76.5 | -169.7 | -179.7 | -168.8 | 0 | 111.2 | R409 Q410 L411 C416 Q417 D481 | R409-K413 WeakPolarHBondContact O-CG 3.31Å; R409-K413 PolarHBondContact O-N 3.48Å; R409-K413 VanDerWaalsContact O-N 3.08Å; Q410-K413 PolarHBondContact O-N 3.22Å; Q410-K413 VanDerWaalsContact O-N 3.1Å; L411-K413 PolarHBondContact O-N 3.35Å; K413-C416 PolarHBondContact O-N 3.28Å; K413-Q417 VanDerWaalsContact O-CG 3.29Å; K413-Q417 WeakPolarHBondContact O-CG 3.24Å; K413-Q417 PolarHBondContact O-N 2.94Å; K413-Q417 VanDerWaalsContact O-N 3.09Å; K413-D481 WeakPolarHBondContact CE-OD1 3.35Å; K413-D481 IonicContact NZ-OD1 3.91Å; K413-D481 PolarHBondContact NZ-OD1 2.84Å; K413-D481 IonicContact NZ-OD2 2.94Å; K413-D481 PolarHBondContact NZ-OD2 2.81Å |
| 414 | F | 85.8 | Confident | 85.1 | Confident | 93 Ų | 93 | 53 Ų | 53 | 41% | 0.408 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 179.2 | -68.6 | -51.1 | 0 | 0 | 0 | 112.5 | Q410 L411 R412 Q417 Q418 F630 | Q410-F414 HydrophobicContact CB-CD2 4.3Å; Q410-F414 HydrophobicContact CB-CE2 4.02Å; Q410-F414 WeakPolarHBondContact O-CD2 3.26Å; Q410-F414 WeakPolarHBondContact O-CG 3.27Å; Q410-F414 PolarHBondContact O-N 3.37Å; L411-F414 PolarHBondContact O-N 3.39Å; R412-F414 PolarHBondContact O-N 3.04Å; F414-Q417 PolarHBondContact O-N 3.16Å; F414-Q418 PolarHBondContact O-N 3.18Å; F414-Q418 VanDerWaalsContact O-N 3.08Å; F414-F630 HydrophobicContact CB-CD2 3.68Å; F414-F630 HydrophobicContact CB-CE2 3.51Å; F414-F630 HydrophobicContact CB-CG 4.44Å; F414-F630 HydrophobicContact CB-CZ 4.14Å |
| 415 | L | 85.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.4 | -47 | 177.2 | -80.6 | 177.4 | 0 | 0 | 0 | 112.1 | I400 L411 R412 Q417 Q418 L419 I528 F630 L633 L634 I637 | I400-L415 HydrophobicContact CD1-CD1 4.08Å; L411-L415 WeakPolarHBondContact O-CB 3.05Å; L411-L415 WeakPolarHBondContact O-CG 3.43Å; L411-L415 PolarHBondContact O-N 3.29Å; R412-L415 PolarHBondContact O-N 2.86Å; L415-Q417 PolarHBondContact O-N 3.35Å; L415-Q418 PolarHBondContact O-N 3.28Å; L415-L419 PolarHBondContact O-N 3.37Å; L415-I528 HydrophobicContact CB-CD1 3.88Å; L415-I528 HydrophobicContact CD1-CD1 4.01Å; L415-F630 HydrophobicContact CB-CE2 4.42Å; L415-F630 HydrophobicContact CD2-CD2 4.27Å; L415-F630 HydrophobicContact CD2-CE2 3.69Å; L415-F630 HydrophobicContact CD2-CZ 4.47Å; L415-F630 HydrophobicContact CG-CD2 4.24Å; L415-F630 HydrophobicContact CG-CE2 3.85Å; L415-L633 HydrophobicContact CD1-CD2 3.37Å; L415-L633 HydrophobicContact CD1-CG 3.79Å; L415-L633 HydrophobicContact CD2-CG 4.33Å; L415-L633 HydrophobicContact CG-CD2 4.12Å; L415-L633 HydrophobicContact CG-CG 4.45Å; L415-L634 HydrophobicContact CD2-CD1 4.32Å; L415-I637 HydrophobicContact CD1-CD1 3.65Å; L415-I637 HydrophobicContact CD2-CD1 3.64Å; L415-I637 HydrophobicContact CG-CD1 4.3Å |
| 416 | C | 87.4 | Confident | 86 | Confident | 17 Ų | 17 | 52.6 Ų | 52.6 | 12% | 0.115 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.2 | -23.1 | 178.5 | -67.8 | 0 | 0 | 0 | 0 | 112.9 | R412 K413 D420 P425 | R412-C416 PolarHBondContact O-N 2.9Å; R412-C416 PolarHBondContact O-SG 2.64Å; R412-C416 VanDerWaalsContact O-SG 3.39Å; K413-C416 PolarHBondContact O-N 3.28Å; C416-D420 VanDerWaalsContact O-CA 3.27Å; C416-D420 WeakPolarHBondContact O-CA 3.07Å; C416-D420 VanDerWaalsContact O-CB 3.29Å; C416-D420 WeakPolarHBondContact O-CB 3.46Å; C416-D420 PolarHBondContact O-N 3.01Å; C416-P425 VanDerWaalsContact SG-CD 3.51Å; C416-P425 VanDerWaalsContact SG-N 3.39Å |
| 417 | Q | 87.2 | Confident | 86.5 | Confident | 127 Ų | 127 | 52.6 Ų | 52.6 | 59% | 0.593 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -77.4 | -34.1 | 173.5 | -76.3 | 173 | -15.8 | 0 | 0 | 112.8 | K413 F414 L415 | K413-Q417 VanDerWaalsContact O-CG 3.29Å; K413-Q417 WeakPolarHBondContact O-CG 3.24Å; K413-Q417 PolarHBondContact O-N 2.94Å; K413-Q417 VanDerWaalsContact O-N 3.09Å; F414-Q417 PolarHBondContact O-N 3.16Å; L415-Q417 PolarHBondContact O-N 3.35Å |
| 418 | Q | 84.2 | Confident | 86.9 | Confident | 128 Ų | 128 | 49.8 Ų | 49.8 | 60% | 0.598 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -85.7 | -29.5 | 179.7 | -66.9 | -60.7 | -58.9 | 0 | 0 | 113 | F414 L415 F630 | F414-Q418 PolarHBondContact O-N 3.18Å; F414-Q418 VanDerWaalsContact O-N 3.08Å; L415-Q418 PolarHBondContact O-N 3.28Å; Q418-F630 HydrophobicContact CB-CZ 4.46Å; Q418-F630 HydrophobicContact CG-CZ 3.85Å |
| 419 | L | 84.8 | Confident | 87.2 | Confident | 20 Ų | 20 | 49.7 Ų | 49.7 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -124 | 41.6 | -175.8 | -58.4 | 176.1 | 0 | 0 | 0 | 111.6 | L415 N421 Y422 F423 L634 I637 L638 L641 | L415-L419 PolarHBondContact O-N 3.37Å; L419-N421 PolarHBondContact O-N 3.44Å; L419-Y422 PolarHBondContact O-N 3.47Å; L419-F423 HydrophobicContact CB-CD2 3.9Å; L419-F423 HydrophobicContact CD1-CD2 4.08Å; L419-F423 HydrophobicContact CD1-CE2 4.11Å; L419-F423 PolarHBondContact O-N 3.33Å; L419-L634 HydrophobicContact CD1-CD1 3.91Å; L419-L634 HydrophobicContact CG-CD1 4.25Å; L419-I637 HydrophobicContact CD1-CG2 3.75Å; L419-L638 HydrophobicContact CD2-CD2 4.47Å; L419-L641 HydrophobicContact CD1-CD1 4.45Å |
| 420 | D | 82.8 | Confident | 87.5 | Confident | 92 Ų | 92 | 46.3 Ų | 46.3 | 49% | 0.492 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.8 | -178.3 | 62.1 | -11.7 | 0 | 0 | 0 | 113.9 | C416 Y422 | C416-D420 VanDerWaalsContact O-CA 3.27Å; C416-D420 WeakPolarHBondContact O-CA 3.07Å; C416-D420 VanDerWaalsContact O-CB 3.29Å; C416-D420 WeakPolarHBondContact O-CB 3.46Å; C416-D420 PolarHBondContact O-N 3.01Å; D420-Y422 PolarHBondContact O-N 3.34Å |
| 421 | N | 82.2 | Confident | 87.5 | Confident | 124 Ų | 124 | 44.2 Ų | 44.2 | 66% | 0.663 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -14.2 | 174.7 | -68 | -38.7 | 0 | 0 | 0 | 114.2 | L419 L525 | L419-N421 PolarHBondContact O-N 3.44Å; N421-L525 VanDerWaalsContact C-CD2 3.46Å; N421-L525 WeakPolarHBondContact O-CD2 3.46Å |
| 422 | Y | 82.2 | Confident | 87.4 | Confident | 114 Ų | 114 | 44.7 Ų | 44.7 | 45% | 0.447 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | -32.3 | -177.1 | -62.2 | -77.2 | 0 | 0 | 0 | 113.1 | L419 D420 L525 A526 L641 | L419-Y422 PolarHBondContact O-N 3.47Å; D420-Y422 PolarHBondContact O-N 3.34Å; Y422-L525 CarbonylContact O-C 3.51Å; Y422-A526 WeakPolarHBondContact O-CB 3.2Å; Y422-A526 PolarHBondContact O-N 3.29Å; Y422-L641 HydrophobicContact CD1-CD2 4.32Å; Y422-L641 HydrophobicContact CD2-CD1 4.14Å; Y422-L641 HydrophobicContact CE2-CD1 4.5Å; Y422-L641 HydrophobicContact CG-CD1 4.22Å |
| 423 | F | 86.5 | Confident | 86.6 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 138.4 | -168.5 | -70.3 | -76.7 | 0 | 0 | 0 | 113.2 | L398 L419 A526 I528 I637 L641 | L398-F423 HydrophobicContact CB-CE1 4.18Å; L398-F423 HydrophobicContact CD2-CE1 4.28Å; L419-F423 HydrophobicContact CB-CD2 3.9Å; L419-F423 HydrophobicContact CD1-CD2 4.08Å; L419-F423 HydrophobicContact CD1-CE2 4.11Å; L419-F423 PolarHBondContact O-N 3.33Å; F423-A526 CarbonylContact C-O 3.44Å; F423-A526 VanDerWaalsContact CA-O 3.27Å; F423-A526 WeakPolarHBondContact CA-O 3.37Å; F423-A526 HydrophobicContact CD1-CB 3.41Å; F423-A526 VanDerWaalsContact CD1-CB 3.41Å; F423-A526 HydrophobicContact CE1-CB 3.43Å; F423-A526 VanDerWaalsContact CE1-CB 3.43Å; F423-A526 HydrophobicContact CG-CB 4.35Å; F423-A526 HydrophobicContact CZ-CB 4.38Å; F423-I528 HydrophobicContact CB-CD1 3.65Å; F423-I528 HydrophobicContact CB-CG1 3.85Å; F423-I528 HydrophobicContact CD1-CD1 3.78Å; F423-I528 HydrophobicContact CD1-CG1 3.48Å; F423-I528 VanDerWaalsContact CD1-CG1 3.48Å; F423-I528 HydrophobicContact CD2-CD1 4.5Å; F423-I528 HydrophobicContact CE1-CG1 4.31Å; F423-I528 HydrophobicContact CG-CD1 3.74Å; F423-I528 HydrophobicContact CG-CG1 3.91Å; F423-I637 HydrophobicContact CE2-CG2 3.57Å; F423-I637 HydrophobicContact CZ-CG2 3.9Å; F423-L641 HydrophobicContact CE2-CD1 4.22Å |
| 424 | I | 88.4 | Confident | 86 | Confident | 24 Ų | 24 | 49.3 Ų | 49.3 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 143.9 | 171.9 | -75.6 | -178.6 | 0 | 0 | 0 | 110.1 | L426 I520 R523 L525 A526 G527 I528 | I424-L426 PolarHBondContact O-N 3.42Å; I424-I520 HydrophobicContact CB-CD1 4.33Å; I424-I520 HydrophobicContact CB-CG1 4.42Å; I424-I520 HydrophobicContact CG2-CD1 3.7Å; I424-I520 HydrophobicContact CG2-CG1 3.82Å; I424-R523 VanDerWaalsContact CD1-NH1 3.31Å; I424-L525 HydrophobicContact CD1-CB 4.14Å; I424-L525 HydrophobicContact CD1-CD1 3.24Å; I424-L525 HydrophobicContact CD1-CG 4.3Å; I424-L525 HydrophobicContact CG1-CB 4.24Å; I424-L525 HydrophobicContact CG1-CD1 3.78Å; I424-A526 PolarHBondContact N-O 3.15Å; I424-G527 CarbonylContact O-C 3.58Å; I424-G527 WeakPolarHBondContact O-CA 3.42Å; I424-I528 PolarHBondContact O-N 2.98Å |
| 425 | P | 90.8 | Very high | 85.2 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 26% | 0.26 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 122.1 | 174 | 27 | -34.9 | 0 | 0 | 0 | 110.5 | R412 C416 I427 | R412-P425 HydrophobicContact CG-CB 4.16Å; C416-P425 VanDerWaalsContact SG-CD 3.51Å; C416-P425 VanDerWaalsContact SG-N 3.39Å; P425-I427 HydrophobicContact CB-CG1 4.19Å; P425-I427 PolarHBondContact O-N 3.3Å |
| 426 | L | 90.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -86.2 | 101.9 | 169.7 | -176.7 | 63.3 | 0 | 0 | 0 | 108.1 | I424 L512 I516 L517 I520 I528 V529 | I424-L426 PolarHBondContact O-N 3.42Å; L426-L512 HydrophobicContact CD1-CD1 3.95Å; L426-L512 HydrophobicContact CD2-CD1 3.71Å; L426-L512 HydrophobicContact CD2-CD2 4.01Å; L426-L512 HydrophobicContact CD2-CG 4.42Å; L426-L512 HydrophobicContact CG-CD1 3.51Å; L426-I516 HydrophobicContact CD1-CB 4.21Å; L426-I516 HydrophobicContact CD1-CG2 3.65Å; L426-L517 HydrophobicContact CD1-CB 4.23Å; L426-L517 HydrophobicContact CD1-CD1 4.42Å; L426-L517 HydrophobicContact CD2-CD1 4.15Å; L426-I520 HydrophobicContact CB-CD1 4.07Å; L426-I520 HydrophobicContact CD1-CD1 3.68Å; L426-I520 HydrophobicContact CG-CD1 4.47Å; L426-I528 PolarHBondContact N-O 3.04Å; L426-V529 HydrophobicContact CB-CB 4.15Å; L426-V529 HydrophobicContact CD2-CB 4.01Å; L426-V529 HydrophobicContact CD2-CG2 4.25Å; L426-V529 HydrophobicContact CG-CB 4.37Å; L426-V529 HydrophobicContact CG-CG2 4.42Å | ||
| 427 | I | 91 | Very high | 81.9 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -91 | 142.7 | -170.4 | -58.3 | 167.4 | 0 | 0 | 0 | 110.3 | P425 G479 V480 Y482 Y483 I516 | P425-I427 HydrophobicContact CB-CG1 4.19Å; P425-I427 PolarHBondContact O-N 3.3Å; I427-G479 WeakPolarHBondContact CD1-O 3.22Å; I427-V480 VanDerWaalsContact CD1-O 3.29Å; I427-V480 WeakPolarHBondContact CD1-O 3.38Å; I427-Y482 VanDerWaalsContact CG2-CA 3.42Å; I427-Y483 HydrophobicContact CB-CE2 4.35Å; I427-Y483 HydrophobicContact CG2-CD2 4.08Å; I427-Y483 HydrophobicContact CG2-CE2 4.31Å; I427-I516 WeakPolarHBondContact O-CD1 3.32Å |
| 428 | C | 91.9 | Very high | 79.9 | Confident | 13 Ų | 13 | 51.2 Ų | 51.2 | 9% | 0.088 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -98 | 156.2 | 176.5 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | Y482 Y483 G511 | C428-Y482 HydrophobicContact CB-CD1 4.29Å; C428-Y482 HydrophobicContact CB-CE1 4.5Å; C428-Y482 WeakPolarHBondContact O-CA 3.25Å; C428-Y483 PolarHBondContact O-N 3.44Å; C428-G511 WeakPolarHBondContact CA-O 3.21Å |
| 429 | H | 93.5 | Very high | 77.8 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 7% | 0.069 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 149 | 162.7 | -64.6 | 75.8 | 0 | 0 | 0 | 110 | Y483 I485 F490 F499 Y510 G511 S513 | H429-Y483 CarbonylContact C-O 3.45Å; H429-Y483 VanDerWaalsContact CA-O 3.25Å; H429-Y483 WeakPolarHBondContact CA-O 3.15Å; H429-Y483 WeakPolarHBondContact CD2-CB 3.24Å; H429-I485 HydrophobicContact CB-CD1 4.02Å; H429-I485 HydrophobicContact CB-CG1 4.45Å; H429-F490 HydrophobicContact CB-CD2 4.4Å; H429-F490 HydrophobicContact CB-CE2 4.28Å; H429-F499 HydrophobicContact CB-CE1 3.91Å; H429-F499 HydrophobicContact CB-CZ 4.14Å; H429-F499 AromaticContact CG-CE1 3.95Å; H429-F499 AromaticContact ND1-CE1 3.83Å; H429-Y510 CarbonylContact O-C 3.46Å; H429-Y510 VanDerWaalsContact O-CA 3.3Å; H429-Y510 WeakPolarHBondContact O-CA 3.42Å; H429-G511 PolarHBondContact N-O 2.97Å; H429-G511 PolarHBondContact O-N 3.49Å; H429-S513 PolarHBondContact CE1-OG 2.82Å |
| 430 | T | 90.8 | Very high | 75.6 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 149.9 | 172.1 | -172.7 | 0 | 0 | 0 | 0 | 112.1 | R432 Y482 Y483 F484 I485 Q509 Y510 | T430-R432 VanDerWaalsContact C-N 3.32Å; T430-R432 HydrophobicContact CG2-CB 4.11Å; T430-R432 WeakPolarHBondContact OG1-CB 3.38Å; T430-R432 PolarHBondContact OG1-N 2.99Å; T430-Y482 HydrophobicContact CG2-CD1 4.11Å; T430-Y482 HydrophobicContact CG2-CG 3.86Å; T430-Y483 PolarHBondContact N-O 2.84Å; T430-F484 HydrophobicContact CG2-CD1 3.56Å; T430-F484 HydrophobicContact CG2-CE1 3.78Å; T430-I485 PolarHBondContact O-N 3.47Å; T430-Q509 WeakPolarHBondContact CA-O 3.46Å; T430-Q509 WeakPolarHBondContact CB-O 3.18Å; T430-Q509 PolarHBondContact OG1-O 3.41Å; T430-Y510 HydrophobicContact CG2-CE1 4.21Å; T430-Y510 VanDerWaalsContact OG1-CE1 3.28Å; T430-Y510 WeakPolarHBondContact OG1-CE1 3.38Å |
| 431 | D | 85.4 | Confident | 73.3 | Confident | 27 Ų | 27 | 55.1 Ų | 55.1 | 14% | 0.144 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -85.9 | -2.6 | 171 | 74.8 | -23.5 | 0 | 0 | 0 | 114.1 | I485 K487 Y508 Q509 | D431-I485 VanDerWaalsContact CA-O 3.24Å; D431-I485 WeakPolarHBondContact CA-O 3.24Å; D431-K487 HydrophobicContact CB-CB 4.25Å; D431-Y508 WeakPolarHBondContact OD1-CA 3.47Å; D431-Y508 WeakPolarHBondContact OD1-CB 3.35Å; D431-Q509 PolarHBondContact N-O 2.97Å; D431-Q509 PolarHBondContact OD1-N 3.2Å |
| 432 | R | 84.4 | Confident | 71 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 4% | 0.038 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -70.3 | 144 | 176.6 | -170.8 | -176.5 | 56.4 | 86.9 | -9.4 | 110.9 | T430 E476 F484 Y508 Y510 | T430-R432 VanDerWaalsContact C-N 3.32Å; T430-R432 HydrophobicContact CG2-CB 4.11Å; T430-R432 WeakPolarHBondContact OG1-CB 3.38Å; T430-R432 PolarHBondContact OG1-N 2.99Å; R432-E476 IonicContact CZ-OE1 2.66Å; R432-E476 IonicContact CZ-OE2 3.4Å; R432-E476 VanDerWaalsContact CZ-OE2 3.27Å; R432-E476 IonicContact NH1-OE1 3.47Å; R432-E476 IonicContact NH1-OE2 3.54Å; R432-E476 PolarHBondContact NH1-OE2 3.15Å; R432-E476 IonicContact NH2-OE1 3.95Å; R432-E476 PolarHBondContact NH2-OE1 2.68Å; R432-E476 IonicContact NH2-OE2 3.71Å; R432-E476 PolarHBondContact NH2-OE2 3.48Å; R432-F484 WeakPolarHBondContact O-CD1 3.28Å; R432-Y508 HydrophobicContact CB-CD1 3.74Å; R432-Y508 HydrophobicContact CB-CD2 4.34Å; R432-Y508 HydrophobicContact CB-CE1 4.26Å; R432-Y508 HydrophobicContact CB-CG 3.78Å; R432-Y508 HydrophobicContact CG-CD1 4.02Å; R432-Y508 HydrophobicContact CG-CD2 4.06Å; R432-Y508 HydrophobicContact CG-CE1 4.11Å; R432-Y508 HydrophobicContact CG-CE2 4.15Å; R432-Y508 HydrophobicContact CG-CG 3.98Å; R432-Y510 WeakPolarHBondContact CD-OH 3.32Å; R432-Y510 PolarHBondContact NE-OH 3.32Å; R432-Y510 VanDerWaalsContact NE-OH 3.16Å |
| 433 | L | 75.9 | Confident | 68.7 | Low | 115 Ų | 115 | 54 Ų | 54 | 60% | 0.602 | 27% | 0.271 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 147.5 | 169.2 | -69.6 | 167.9 | 0 | 0 | 0 | 112.1 | ||
| 434 | P | 73.9 | Confident | 66.1 | Low | 52 Ų | 52 | 59.6 Ų | 59.6 | 34% | 0.338 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -56 | 140.3 | 173.2 | -22.7 | 31.3 | 0 | 0 | 0 | 112 | C436 E476 F484 | P434-C436 PolarHBondContact O-N 2.9Å; P434-E476 HydrophobicContact CB-CB 4.2Å; P434-F484 HydrophobicContact CB-CE1 4.43Å; P434-F484 HydrophobicContact CB-CE2 4.15Å; P434-F484 HydrophobicContact CB-CZ 4.02Å; P434-F484 HydrophobicContact CG-CD1 4.13Å; P434-F484 HydrophobicContact CG-CD2 3.78Å; P434-F484 HydrophobicContact CG-CE1 4.12Å; P434-F484 HydrophobicContact CG-CE2 3.8Å; P434-F484 HydrophobicContact CG-CG 3.92Å; P434-F484 HydrophobicContact CG-CZ 3.94Å |
| 435 | K | 69.6 | Low | 63.4 | Low | 47 Ų | 47 | 61.2 Ų | 61.2 | 20% | 0.204 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 129.4 | 174.3 | -70.4 | -171.4 | 174.3 | -162.9 | 0 | 110.5 | E476 | K435-E476 HydrophobicContact CB-CG 4.43Å; K435-E476 PolarHBondContact N-OE2 3.45Å |
| 436 | C | 53 | Low | 60.6 | Low | 70 Ų | 70 | 64 Ų | 64 | 47% | 0.473 | 33% | 0.326 | S | S | . | . | trans | -110.8 | 112.2 | 175.2 | -131.4 | 0 | 0 | 0 | 0 | 109.9 | P434 K438 | P434-C436 PolarHBondContact O-N 2.9Å; C436-K438 PolarHBondContact O-N 3.03Å | ||
| 437 | N | 50.5 | Low | 57.6 | Low | 53 Ų | 53 | 72.5 Ų | 72.5 | 28% | 0.283 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -70.5 | 3.3 | -173.7 | -82.7 | -17.8 | 0 | 0 | 0 | 115.4 | L439 I440 N474 | N437-L439 VanDerWaalsContact C-N 3.27Å; N437-L439 PolarHBondContact O-N 3.41Å; N437-I440 HydrophobicContact CB-CD1 4.05Å; N437-I440 PolarHBondContact O-N 3.31Å; N437-I440 WeakPolarHBondContact OD1-CD1 3.4Å; N437-N474 WeakPolarHBondContact ND2-CB 3.45Å; N437-N474 PolarHBondContact ND2-O 2.83Å |
| 438 | K | 45.5 | Very low | 54.6 | Low | 107 Ų | 107 | 76 Ų | 76 | 47% | 0.465 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -65.4 | -25.2 | -178.7 | -79.6 | -178.2 | 176 | 171.4 | 0 | 113.7 | C436 I440 L466 | C436-K438 PolarHBondContact O-N 3.03Å; K438-I440 VanDerWaalsContact C-N 3.35Å; K438-I440 PolarHBondContact O-N 2.93Å; K438-L466 HydrophobicContact CD-CD2 3.68Å; K438-L466 PolarHBondContact NZ-O 3.39Å |
| 439 | L | 40.2 | Very low | 51.5 | Low | 69 Ų | 69 | 81.5 Ų | 81.5 | 36% | 0.361 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -80.4 | -9.6 | -179.5 | -75.4 | 159.1 | 0 | 0 | 0 | 114.4 | N437 K441 Q442 C572 | N437-L439 VanDerWaalsContact C-N 3.27Å; N437-L439 PolarHBondContact O-N 3.41Å; L439-K441 VanDerWaalsContact C-N 3.31Å; L439-K441 PolarHBondContact O-N 2.88Å; L439-Q442 PolarHBondContact O-N 3.36Å; L439-C572 HydrophobicContact CB-CB 4.32Å; L439-C572 HydrophobicContact CD1-CB 3.62Å; L439-C572 WeakPolarHBondContact CD1-O 3.42Å; L439-C572 HydrophobicContact CG-CB 4.47Å |
| 440 | I | 38.3 | Very low | 48.3 | Very low | 64 Ų | 64 | 87.9 Ų | 87.9 | 33% | 0.328 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68 | -28.8 | -177.8 | -63 | 176.8 | 0 | 0 | 0 | 112.2 | N437 K438 | N437-I440 HydrophobicContact CB-CD1 4.05Å; N437-I440 PolarHBondContact O-N 3.31Å; N437-I440 WeakPolarHBondContact OD1-CD1 3.4Å; K438-I440 VanDerWaalsContact C-N 3.35Å; K438-I440 PolarHBondContact O-N 2.93Å |
| 441 | K | 34.2 | Very low | 45.1 | Very low | 189 Ų | 189 | 92.5 Ų | 92.5 | 82% | 0.822 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -74.5 | -24.5 | -178.4 | -75.2 | -168.3 | 175.7 | -174.5 | 0 | 114.2 | L439 S445 | L439-K441 VanDerWaalsContact C-N 3.31Å; L439-K441 PolarHBondContact O-N 2.88Å; K441-S445 PolarHBondContact O-OG 3.13Å |
| 442 | Q | 34.7 | Very low | 42.2 | Very low | 126 Ų | 126 | 96.6 Ų | 96.6 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -85.6 | -34.2 | 179 | -87.6 | 179.6 | -22.5 | 0 | 0 | 113.2 | L439 S445 I446 | L439-Q442 PolarHBondContact O-N 3.36Å; Q442-S445 WeakPolarHBondContact CA-OG 3.45Å; Q442-S445 PolarHBondContact O-N 2.89Å; Q442-S445 PolarHBondContact O-OG 3.4Å; Q442-I446 WeakPolarHBondContact O-CG1 3.49Å; Q442-I446 PolarHBondContact O-N 3.4Å |
| 443 | F | 33.2 | Very low | 39.4 | Very low | 88 Ų | 88 | 103.2 Ų | 103.2 | 39% | 0.386 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -71.4 | -35.2 | -178.1 | -100 | -86.1 | 0 | 0 | 0 | 113.8 | S445 I446 C572 | F443-S445 PolarHBondContact O-N 3.13Å; F443-I446 PolarHBondContact O-N 3.39Å; F443-C572 WeakPolarHBondContact CE2-SG 3.41Å |
| 444 | N | 32.3 | Very low | 37.1 | Very low | 129 Ų | 129 | 105 Ų | 105 | 69% | 0.69 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69 | -19.5 | 175.7 | -73.4 | -4.2 | 0 | 0 | 0 | 112.8 | S448 | N444-S448 PolarHBondContact O-OG 3.2Å |
| 445 | S | 32.1 | Very low | 34.8 | Very low | 58 Ų | 58 | 109.6 Ų | 109.6 | 41% | 0.406 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -83.9 | -29.5 | 173.9 | 23.7 | 0 | 0 | 0 | 0 | 112.6 | K441 Q442 F443 H447 S448 I449 | K441-S445 PolarHBondContact O-OG 3.13Å; Q442-S445 WeakPolarHBondContact CA-OG 3.45Å; Q442-S445 PolarHBondContact O-N 2.89Å; Q442-S445 PolarHBondContact O-OG 3.4Å; F443-S445 PolarHBondContact O-N 3.13Å; S445-H447 PolarHBondContact O-N 3.13Å; S445-S448 PolarHBondContact O-N 2.84Å; S445-S448 PolarHBondContact O-OG 2.87Å; S445-I449 WeakPolarHBondContact O-CG1 3.38Å |
| 446 | I | 31.3 | Very low | 32.9 | Very low | 98 Ų | 98 | 114.9 Ų | 114.9 | 50% | 0.503 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.2 | -32.5 | -179.2 | -66.4 | 165.4 | 0 | 0 | 0 | 112.1 | Q442 F443 S448 I449 | Q442-I446 WeakPolarHBondContact O-CG1 3.49Å; Q442-I446 PolarHBondContact O-N 3.4Å; F443-I446 PolarHBondContact O-N 3.39Å; I446-S448 PolarHBondContact O-N 3.4Å; I446-I449 PolarHBondContact O-N 2.9Å |
| 447 | H | 28.7 | Very low | 31.7 | Very low | 179 Ų | 179 | 116.9 Ų | 116.9 | 83% | 0.829 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 4.5 | 175.2 | -88.9 | -58.7 | 0 | 0 | 0 | 115.1 | S445 | S445-H447 PolarHBondContact O-N 3.13Š|
| 448 | S | 27.1 | Very low | 30.5 | Very low | 88 Ų | 88 | 121.4 Ų | 121.4 | 62% | 0.615 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 15.9 | 171 | 44.5 | 0 | 0 | 0 | 0 | 113.3 | N444 S445 I446 D450 | N444-S448 PolarHBondContact O-OG 3.2Å; S445-S448 PolarHBondContact O-N 2.84Å; S445-S448 PolarHBondContact O-OG 2.87Å; I446-S448 PolarHBondContact O-N 3.4Å; S448-D450 PolarHBondContact O-N 3.21Å |
| 449 | I | 27.7 | Very low | 29.7 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 66% | 0.656 | 67% | 0.668 | S | S | * | * | trans | -83.5 | 73.8 | 171.7 | -52.5 | 176.7 | 0 | 0 | 0 | 109 | S445 I446 | S445-I449 WeakPolarHBondContact O-CG1 3.38Å; I446-I449 PolarHBondContact O-N 2.9Å | ||
| 450 | D | 25.3 | Very low | 28.9 | Very low | 148 Ų | 148 | 126.3 Ų | 126.3 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | trans | -69.1 | 116.6 | 141.8 | -87.6 | -30.2 | 0 | 0 | 0 | 107.2 | S448 | S448-D450 PolarHBondContact O-N 3.21Š| ||
| 451 | S | 24.7 | Very low | 28.2 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 69% | 0.685 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 34.4 | 107.2 | 148.4 | 48.9 | 0 | 0 | 0 | 0 | 118.6 | ||
| 452 | S | 24.8 | Very low | 27.7 | Very low | 112 Ų | 112 | 123 Ų | 123 | 78% | 0.783 | 68% | 0.684 | S | S | * | * | trans | 134.9 | 124.7 | 135.7 | 67.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 453 | N | 25 | Very low | 27.3 | Very low | 149 Ų | 149 | 122.7 Ų | 122.7 | 80% | 0.797 | 69% | 0.685 | S | S | * | * | trans | 43.8 | 110.2 | 154.3 | -75.3 | -11.3 | 0 | 0 | 0 | 119.6 | ||||
| 454 | N | 26.9 | Very low | 27 | Very low | 153 Ų | 153 | 124.3 Ų | 124.3 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | 176.6 | 139.3 | 95.5 | -107.8 | -24.6 | 0 | 0 | 0 | 112.5 | N456 | N454-N456 PolarHBondContact O-N 3.14Š| |||
| 455 | N | 26.7 | Very low | 26.8 | Very low | 149 Ų | 149 | 125.5 Ų | 125.5 | 80% | 0.797 | 70% | 0.704 | S | S | * | * | trans | -58.3 | 125.9 | 166.3 | -63.1 | -38.3 | 0 | 0 | 0 | 110.7 | ||||
| 456 | N | 28.9 | Very low | 26.7 | Very low | 157 Ų | 157 | 126.3 Ų | 126.3 | 84% | 0.84 | 70% | 0.703 | S | S | * | * | trans | -158.8 | 94.2 | 152 | -100.9 | -14.6 | 0 | 0 | 0 | 111.4 | N454 | N454-N456 PolarHBondContact O-N 3.14Š| ||
| 457 | T | 27.5 | Very low | 26.4 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 69% | 0.693 | 72% | 0.717 | S | S | * | * | trans | 10.2 | 118.9 | 142.9 | 56.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 458 | N | 26.3 | Very low | 26.4 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | 39.3 | 78.4 | 124.6 | -63.4 | -5.1 | 0 | 0 | 0 | 118.6 | |||||
| 459 | N | 27.2 | Very low | 26.5 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 85% | 0.85 | 72% | 0.715 | S | S | * | * | trans | -108.9 | 87.2 | 154.4 | -85.4 | -21.9 | 0 | 0 | 0 | 109.3 | V461 | N459-V461 PolarHBondContact O-N 3.27Š| ||
| 460 | V | 24.4 | Very low | 26.5 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | trans | -80.1 | 97.4 | 174.3 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 461 | V | 23.5 | Very low | 26.9 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 58% | 0.582 | 72% | 0.717 | S | S | * | * | trans | -88.5 | 114 | 177.2 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | N459 | N459-V461 PolarHBondContact O-N 3.27Š| ||
| 462 | T | 22.8 | Very low | 27.4 | Very low | 88 Ų | 88 | 125.8 Ų | 125.8 | 54% | 0.54 | 70% | 0.7 | S | S | . | * | trans | -68.9 | 138.1 | 176.6 | 48.3 | 0 | 0 | 0 | 0 | 112.1 | T464 Q465 | T462-T464 PolarHBondContact O-N 3.4Å; T462-Q465 PolarHBondContact O-N 3.16Å | ||
| 463 | I | 27.4 | Very low | 28.2 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 61% | 0.61 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -51.4 | -25.2 | -172.6 | -66.1 | 168.6 | 0 | 0 | 0 | 114.3 | Q465 L466 | I463-Q465 VanDerWaalsContact C-N 3.31Å; I463-Q465 PolarHBondContact O-N 2.84Å; I463-L466 PolarHBondContact O-N 2.92Å |
| 464 | T | 27.3 | Very low | 29.4 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -68.9 | -20.9 | -174.2 | 49.6 | 0 | 0 | 0 | 0 | 114.8 | T462 | T462-T464 PolarHBondContact O-N 3.4Š|
| 465 | Q | 27.5 | Very low | 31.2 | Very low | 155 Ų | 155 | 121.6 Ų | 121.6 | 72% | 0.724 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -88.1 | -1.8 | 179.9 | -68.5 | -171.4 | -6.3 | 0 | 0 | 114.3 | T462 I463 | T462-Q465 PolarHBondContact O-N 3.16Å; I463-Q465 VanDerWaalsContact C-N 3.31Å; I463-Q465 PolarHBondContact O-N 2.84Å |
| 466 | L | 29 | Very low | 33.6 | Very low | 74 Ų | 74 | 115.4 Ų | 115.4 | 39% | 0.387 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.5 | -12.9 | -169.5 | -70.8 | 167.4 | 0 | 0 | 0 | 115.7 | K438 I463 | K438-L466 HydrophobicContact CD-CD2 3.68Å; K438-L466 PolarHBondContact NZ-O 3.39Å; I463-L466 PolarHBondContact O-N 2.92Å |
| 467 | N | 26.7 | Very low | 36 | Very low | 149 Ų | 149 | 112.8 Ų | 112.8 | 80% | 0.797 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -5.2 | -170.9 | -84.9 | -3.2 | 0 | 0 | 0 | 116.2 | ||
| 468 | N | 28.8 | Very low | 38.7 | Very low | 151 Ų | 151 | 111.9 Ų | 111.9 | 81% | 0.807 | 61% | 0.611 | S | S | * | * | trans | -107.3 | 23.4 | -166.3 | -71.9 | -2 | 0 | 0 | 0 | 116.3 | ||||
| 469 | N | 27.9 | Very low | 41.3 | Very low | 110 Ų | 110 | 105.9 Ų | 105.9 | 59% | 0.588 | 59% | 0.585 | S | S | * | * | trans | -114.8 | 112.6 | 175.3 | -145.5 | -18 | 0 | 0 | 0 | 112.3 | N471 | N469-N471 VanDerWaalsContact C-N 3.31Å; N469-N471 PolarHBondContact O-N 3.23Å | ||
| 470 | P | 28.6 | Very low | 43.9 | Very low | 114 Ų | 114 | 101.7 Ų | 101.7 | 74% | 0.74 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -73.8 | -14.9 | -172.7 | -9.2 | 23.5 | 0 | 0 | 0 | 114.5 | N472 | P470-N472 PolarHBondContact O-N 2.93Š|
| 471 | N | 33.2 | Very low | 46.6 | Very low | 143 Ų | 143 | 96 Ų | 96 | 77% | 0.765 | 53% | 0.53 | S | S | * | . | trans | -79 | 25.4 | -174 | -72.9 | -12.1 | 0 | 0 | 0 | 114.5 | N469 N473 | N469-N471 VanDerWaalsContact C-N 3.31Å; N469-N471 PolarHBondContact O-N 3.23Å; N471-N473 PolarHBondContact O-N 2.88Å | ||
| 472 | N | 35.2 | Very low | 49.7 | Very low | 61 Ų | 61 | 93.6 Ų | 93.6 | 33% | 0.326 | 51% | 0.511 | S | S | . | . | trans | -96.6 | 60.5 | -171.2 | -144.5 | 0.6 | 0 | 0 | 0 | 111.4 | P470 N474 N475 | P470-N472 PolarHBondContact O-N 2.93Å; N472-N474 PolarHBondContact O-N 3.25Å; N472-N475 VanDerWaalsContact CG-ND2 3.28Å; N472-N475 PolarHBondContact ND2-ND2 3.44Å; N472-N475 PolarHBondContact ND2-OD1 3.42Å; N472-N475 PolarHBondContact O-N 3.28Å; N472-N475 PolarHBondContact OD1-OD1 3.43Å | ||
| 473 | N | 42.4 | Very low | 52.9 | Low | 148 Ų | 148 | 93.5 Ų | 93.5 | 79% | 0.791 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -2.5 | -167.3 | -77.2 | -4.2 | 0 | 0 | 0 | 116.7 | N471 | N471-N473 PolarHBondContact O-N 2.88Š|
| 474 | N | 50.3 | Low | 55.9 | Low | 128 Ų | 128 | 89.5 Ų | 89.5 | 68% | 0.684 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.8 | 22.3 | -175 | -70.2 | -13.9 | 0 | 0 | 0 | 114 | N437 N472 | N437-N474 WeakPolarHBondContact ND2-CB 3.45Å; N437-N474 PolarHBondContact ND2-O 2.83Å; N472-N474 PolarHBondContact O-N 3.25Å |
| 475 | N | 64.6 | Low | 58.9 | Low | 50 Ų | 50 | 85.4 Ų | 85.4 | 27% | 0.267 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -81.6 | 150 | 172.1 | -70.3 | -7.5 | 0 | 0 | 0 | 111.1 | N472 | N472-N475 VanDerWaalsContact CG-ND2 3.28Å; N472-N475 PolarHBondContact ND2-ND2 3.44Å; N472-N475 PolarHBondContact ND2-OD1 3.42Å; N472-N475 PolarHBondContact O-N 3.28Å; N472-N475 PolarHBondContact OD1-OD1 3.43Å |
| 476 | E | 75.5 | Confident | 61.9 | Low | 20 Ų | 20 | 81.8 Ų | 81.8 | 9% | 0.093 | 44% | 0.438 | C | S | . | . | trans | -68 | 134.5 | 167.8 | -66.4 | 177.3 | 140.2 | 0 | 0 | 109.5 | R432 P434 K435 D481 F484 | R432-E476 IonicContact CZ-OE1 2.66Å; R432-E476 IonicContact CZ-OE2 3.4Å; R432-E476 VanDerWaalsContact CZ-OE2 3.27Å; R432-E476 IonicContact NH1-OE1 3.47Å; R432-E476 IonicContact NH1-OE2 3.54Å; R432-E476 PolarHBondContact NH1-OE2 3.15Å; R432-E476 IonicContact NH2-OE1 3.95Å; R432-E476 PolarHBondContact NH2-OE1 2.68Å; R432-E476 IonicContact NH2-OE2 3.71Å; R432-E476 PolarHBondContact NH2-OE2 3.48Å; P434-E476 HydrophobicContact CB-CB 4.2Å; K435-E476 HydrophobicContact CB-CG 4.43Å; K435-E476 PolarHBondContact N-OE2 3.45Å; E476-D481 HydrophobicContact CB-CB 4.1Å; E476-D481 HydrophobicContact CG-CB 4.38Å; E476-F484 HydrophobicContact CB-CE2 4.13Å; E476-F484 HydrophobicContact CB-CZ 3.81Å | ||
| 477 | I | 80.4 | Confident | 64.7 | Low | 101 Ų | 101 | 83.5 Ų | 83.5 | 52% | 0.518 | 44% | 0.443 | S | S | . | . | trans | -107.9 | 131.5 | -175.8 | -56.3 | 171.7 | 0 | 0 | 0 | 109.1 | V480 D481 | I477-V480 HydrophobicContact CB-CB 4.1Å; I477-V480 HydrophobicContact CB-CG2 4.2Å; I477-V480 HydrophobicContact CG2-CB 4.34Å; I477-V480 HydrophobicContact CG2-CG2 3.91Å; I477-V480 PolarHBondContact O-N 3.23Å; I477-D481 PolarHBondContact N-OD2 2.99Å; I477-D481 VanDerWaalsContact N-OD2 3.13Å; I477-D481 PolarHBondContact O-N 3.27Å | ||
| 478 | D | 83.5 | Confident | 67.8 | Low | 94 Ų | 94 | 83.7 Ų | 83.7 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | B | Isolated β-bridge | trans | -61.8 | 135.9 | 175.5 | -172.2 | 47.8 | 0 | 0 | 0 | 111.4 | V480 Y482 Y483 F484 | D478-V480 PolarHBondContact O-N 2.83Å; D478-Y482 WeakPolarHBondContact CA-O 3.2Å; D478-Y483 WeakPolarHBondContact OD1-CA 3.48Å; D478-F484 HydrophobicContact CB-CD2 4.01Å; D478-F484 PolarHBondContact OD1-N 3.29Å |
| 479 | G | 82 | Confident | 70.9 | Confident | 22 Ų | 22 | 80.4 Ų | 80.4 | 23% | 0.227 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | -2.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | I427 Y482 | I427-G479 WeakPolarHBondContact CD1-O 3.22Å; G479-Y482 PolarHBondContact N-O 3.36Å |
| 480 | V | 81.9 | Confident | 74 | Confident | 71 Ų | 71 | 75.1 Ų | 75.1 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | -48.8 | 175.4 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | I427 I477 D478 | I427-V480 VanDerWaalsContact CD1-O 3.29Å; I427-V480 WeakPolarHBondContact CD1-O 3.38Å; I477-V480 HydrophobicContact CB-CB 4.1Å; I477-V480 HydrophobicContact CB-CG2 4.2Å; I477-V480 HydrophobicContact CG2-CB 4.34Å; I477-V480 HydrophobicContact CG2-CG2 3.91Å; I477-V480 PolarHBondContact O-N 3.23Å; D478-V480 PolarHBondContact O-N 2.83Å |
| 481 | D | 81.3 | Confident | 76.9 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -50.1 | 179.2 | -76 | -75.1 | 0 | 0 | 0 | 111.4 | R409 R412 K413 E476 I477 | R409-D481 WeakPolarHBondContact CD-OD1 3.2Å; R409-D481 IonicContact CZ-OD1 3.48Å; R409-D481 IonicContact NE-OD1 3.63Å; R409-D481 IonicContact NH1-OD1 3.14Å; R409-D481 PolarHBondContact NH1-OD1 2.74Å; R412-D481 PolarHBondContact NH2-O 2.87Å; K413-D481 WeakPolarHBondContact CE-OD1 3.35Å; K413-D481 IonicContact NZ-OD1 3.91Å; K413-D481 PolarHBondContact NZ-OD1 2.84Å; K413-D481 IonicContact NZ-OD2 2.94Å; K413-D481 PolarHBondContact NZ-OD2 2.81Å; E476-D481 HydrophobicContact CB-CB 4.1Å; E476-D481 HydrophobicContact CG-CB 4.38Å; I477-D481 PolarHBondContact N-OD2 2.99Å; I477-D481 VanDerWaalsContact N-OD2 3.13Å; I477-D481 PolarHBondContact O-N 3.27Å |
| 482 | Y | 87.7 | Confident | 79.7 | Confident | 45 Ų | 45 | 71.9 Ų | 71.9 | 18% | 0.176 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -148.5 | 162.1 | 175.8 | -65.4 | -80.1 | 0 | 0 | 0 | 109.4 | I427 C428 T430 D478 G479 F484 Y510 | I427-Y482 VanDerWaalsContact CG2-CA 3.42Å; C428-Y482 HydrophobicContact CB-CD1 4.29Å; C428-Y482 HydrophobicContact CB-CE1 4.5Å; C428-Y482 WeakPolarHBondContact O-CA 3.25Å; T430-Y482 HydrophobicContact CG2-CD1 4.11Å; T430-Y482 HydrophobicContact CG2-CG 3.86Å; D478-Y482 WeakPolarHBondContact CA-O 3.2Å; G479-Y482 PolarHBondContact N-O 3.36Å; Y482-F484 HydrophobicContact CD2-CE1 4.05Å; Y482-F484 AromaticContact CD2-CZ 3.88Å; Y482-F484 HydrophobicContact CD2-CZ 3.88Å; Y482-F484 HydrophobicContact CG-CE1 4.28Å; Y482-F484 HydrophobicContact CG-CZ 4.33Å; Y482-Y510 HydrophobicContact CD1-CD1 4.31Å; Y482-Y510 HydrophobicContact CD1-CE1 4.27Å; Y482-Y510 AromaticContact CE1-CD1 3.92Å; Y482-Y510 HydrophobicContact CE1-CD1 3.92Å; Y482-Y510 AromaticContact CE1-CE1 3.79Å; Y482-Y510 HydrophobicContact CE1-CE1 3.79Å |
| 483 | Y | 90.7 | Very high | 82.3 | Confident | 85 Ų | 85 | 71.2 Ų | 71.2 | 33% | 0.333 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 102.9 | 158.7 | -72.2 | -74.5 | 0 | 0 | 0 | 108.5 | I427 C428 H429 T430 D478 I485 I516 | I427-Y483 HydrophobicContact CB-CE2 4.35Å; I427-Y483 HydrophobicContact CG2-CD2 4.08Å; I427-Y483 HydrophobicContact CG2-CE2 4.31Å; C428-Y483 PolarHBondContact O-N 3.44Å; H429-Y483 CarbonylContact C-O 3.45Å; H429-Y483 VanDerWaalsContact CA-O 3.25Å; H429-Y483 WeakPolarHBondContact CA-O 3.15Å; H429-Y483 WeakPolarHBondContact CD2-CB 3.24Å; T430-Y483 PolarHBondContact N-O 2.84Å; D478-Y483 WeakPolarHBondContact OD1-CA 3.48Å; Y483-I485 PolarHBondContact O-N 3.34Å; Y483-I516 HydrophobicContact CD2-CD1 3.56Å; Y483-I516 HydrophobicContact CE2-CD1 3.44Å; Y483-I516 VanDerWaalsContact CE2-CD1 3.44Å; Y483-I516 HydrophobicContact CE2-CG1 4.06Å |
| 484 | F | 89.1 | Confident | 84.4 | Confident | 35 Ų | 35 | 65.7 Ų | 65.7 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 112.4 | -177.6 | -62.8 | -72 | 0 | 0 | 0 | 109.4 | T430 R432 P434 E476 D478 Y482 | T430-F484 HydrophobicContact CG2-CD1 3.56Å; T430-F484 HydrophobicContact CG2-CE1 3.78Å; R432-F484 WeakPolarHBondContact O-CD1 3.28Å; P434-F484 HydrophobicContact CB-CE1 4.43Å; P434-F484 HydrophobicContact CB-CE2 4.15Å; P434-F484 HydrophobicContact CB-CZ 4.02Å; P434-F484 HydrophobicContact CG-CD1 4.13Å; P434-F484 HydrophobicContact CG-CD2 3.78Å; P434-F484 HydrophobicContact CG-CE1 4.12Å; P434-F484 HydrophobicContact CG-CE2 3.8Å; P434-F484 HydrophobicContact CG-CG 3.92Å; P434-F484 HydrophobicContact CG-CZ 3.94Å; E476-F484 HydrophobicContact CB-CE2 4.13Å; E476-F484 HydrophobicContact CB-CZ 3.81Å; D478-F484 HydrophobicContact CB-CD2 4.01Å; D478-F484 PolarHBondContact OD1-N 3.29Å; Y482-F484 HydrophobicContact CD2-CE1 4.05Å; Y482-F484 AromaticContact CD2-CZ 3.88Å; Y482-F484 HydrophobicContact CD2-CZ 3.88Å; Y482-F484 HydrophobicContact CG-CE1 4.28Å; Y482-F484 HydrophobicContact CG-CZ 4.33Å |
| 485 | I | 91.3 | Very high | 86.1 | Confident | 37 Ų | 37 | 64.6 Ų | 64.6 | 19% | 0.19 | 32% | 0.32 | C | S | . | . | trans | -125.7 | 161 | -179.7 | 58.8 | 174.9 | 0 | 0 | 0 | 109.5 | H429 T430 D431 Y483 N489 F490 K493 | H429-I485 HydrophobicContact CB-CD1 4.02Å; H429-I485 HydrophobicContact CB-CG1 4.45Å; T430-I485 PolarHBondContact O-N 3.47Å; D431-I485 VanDerWaalsContact CA-O 3.24Å; D431-I485 WeakPolarHBondContact CA-O 3.24Å; Y483-I485 PolarHBondContact O-N 3.34Å; I485-N489 HydrophobicContact CB-CB 4.4Å; I485-F490 HydrophobicContact CD1-CB 3.78Å; I485-F490 HydrophobicContact CD1-CD2 3.86Å; I485-F490 HydrophobicContact CD1-CG 4.25Å; I485-F490 HydrophobicContact CG1-CB 4.16Å; I485-F490 HydrophobicContact CG1-CD2 4.25Å; I485-K493 HydrophobicContact CD1-CD 4.11Å | ||
| 486 | N | 89.9 | Confident | 87.1 | Confident | 78 Ų | 78 | 64.5 Ų | 64.5 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | trans | -76.5 | 162.8 | 172.9 | 68.3 | 3.6 | 0 | 0 | 0 | 110.7 | E488 N489 F490 | N486-E488 VanDerWaalsContact C-N 3.26Å; N486-E488 PolarHBondContact O-N 3Å; N486-N489 PolarHBondContact O-N 2.96Å; N486-N489 WeakPolarHBondContact OD1-CB 3.34Å; N486-N489 PolarHBondContact OD1-N 2.91Å; N486-N489 PolarHBondContact OD1-ND2 2.77Å; N486-N489 VanDerWaalsContact OD1-ND2 3.16Å; N486-F490 PolarHBondContact O-N 2.91Å | ||
| 487 | K | 88.8 | Confident | 87.5 | Confident | 111 Ų | 111 | 63.9 Ų | 63.9 | 48% | 0.483 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59 | -35.5 | -179.2 | -168.4 | 168.8 | -174 | 169.7 | 0 | 113.3 | D431 F490 N491 | D431-K487 HydrophobicContact CB-CB 4.25Å; K487-F490 PolarHBondContact O-N 3.16Å; K487-N491 WeakPolarHBondContact O-CB 3.4Å; K487-N491 PolarHBondContact O-N 3Å; K487-N491 PolarHBondContact O-ND2 3.43Å |
| 488 | E | 91.6 | Very high | 87.8 | Confident | 152 Ų | 152 | 61.6 Ų | 61.6 | 71% | 0.71 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.1 | -47 | 176.8 | -67.7 | 177.4 | 179.1 | 0 | 0 | 112.2 | N486 F490 N491 K492 | N486-E488 VanDerWaalsContact C-N 3.26Å; N486-E488 PolarHBondContact O-N 3Å; E488-F490 VanDerWaalsContact C-N 3.34Å; E488-N491 PolarHBondContact O-N 3.36Å; E488-K492 WeakPolarHBondContact O-CB 3.48Å; E488-K492 PolarHBondContact O-N 3.19Å |
| 489 | N | 92.6 | Very high | 88.2 | Confident | 82 Ų | 82 | 57.1 Ų | 57.1 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.1 | -35.3 | 176.5 | -71.7 | -21.3 | 0 | 0 | 0 | 111.6 | I485 N486 K492 K493 | I485-N489 HydrophobicContact CB-CB 4.4Å; N486-N489 PolarHBondContact O-N 2.96Å; N486-N489 WeakPolarHBondContact OD1-CB 3.34Å; N486-N489 PolarHBondContact OD1-N 2.91Å; N486-N489 PolarHBondContact OD1-ND2 2.77Å; N486-N489 VanDerWaalsContact OD1-ND2 3.16Å; N489-K492 PolarHBondContact O-N 2.62Å; N489-K493 WeakPolarHBondContact O-CG 3.3Å; N489-K493 PolarHBondContact O-N 3.48Å |
| 490 | F | 93 | Very high | 88.4 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.2 | -51.1 | 173.6 | -169.8 | -77.9 | 0 | 0 | 0 | 110.7 | H429 I485 N486 K487 E488 K492 K493 Q494 F499 T502 Q509 | H429-F490 HydrophobicContact CB-CD2 4.4Å; H429-F490 HydrophobicContact CB-CE2 4.28Å; I485-F490 HydrophobicContact CD1-CB 3.78Å; I485-F490 HydrophobicContact CD1-CD2 3.86Å; I485-F490 HydrophobicContact CD1-CG 4.25Å; I485-F490 HydrophobicContact CG1-CB 4.16Å; I485-F490 HydrophobicContact CG1-CD2 4.25Å; N486-F490 PolarHBondContact O-N 2.91Å; K487-F490 PolarHBondContact O-N 3.16Å; E488-F490 VanDerWaalsContact C-N 3.34Å; F490-K492 VanDerWaalsContact C-N 3.28Å; F490-K492 PolarHBondContact O-N 2.9Å; F490-K493 PolarHBondContact O-N 3.46Å; F490-Q494 PolarHBondContact O-N 3.04Å; F490-F499 HydrophobicContact CD1-CE2 4.1Å; F490-F499 HydrophobicContact CD2-CE2 4.24Å; F490-F499 AromaticContact CD2-CZ 3.93Å; F490-F499 HydrophobicContact CD2-CZ 3.93Å; F490-F499 HydrophobicContact CE1-CD2 4.36Å; F490-F499 AromaticContact CE1-CE2 3.78Å; F490-F499 HydrophobicContact CE1-CE2 3.78Å; F490-F499 HydrophobicContact CE1-CZ 4.36Å; F490-F499 HydrophobicContact CE2-CE1 4.36Å; F490-F499 AromaticContact CE2-CE2 3.95Å; F490-F499 HydrophobicContact CE2-CE2 3.95Å; F490-F499 AromaticContact CE2-CZ 3.67Å; F490-F499 HydrophobicContact CE2-CZ 3.67Å; F490-F499 HydrophobicContact CG-CE2 4.29Å; F490-F499 HydrophobicContact CG-CZ 4.37Å; F490-F499 HydrophobicContact CZ-CD2 4.26Å; F490-F499 AromaticContact CZ-CE2 3.69Å; F490-F499 HydrophobicContact CZ-CE2 3.69Å; F490-F499 AromaticContact CZ-CZ 3.89Å; F490-F499 HydrophobicContact CZ-CZ 3.89Å; F490-T502 HydrophobicContact CE1-CG2 4.11Å; F490-T502 HydrophobicContact CZ-CG2 4.03Å; F490-Q509 HydrophobicContact CD1-CB 3.88Å; F490-Q509 HydrophobicContact CD1-CG 4.48Å; F490-Q509 HydrophobicContact CD2-CB 4.34Å; F490-Q509 HydrophobicContact CE1-CB 3.67Å; F490-Q509 HydrophobicContact CE1-CG 4.38Å; F490-Q509 HydrophobicContact CE2-CB 4.15Å; F490-Q509 HydrophobicContact CG-CB 4.24Å; F490-Q509 HydrophobicContact CZ-CB 3.82Å |
| 491 | N | 90.7 | Very high | 88.6 | Confident | 57 Ų | 57 | 53 Ų | 53 | 31% | 0.305 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 177.4 | -70.2 | -23.3 | 0 | 0 | 0 | 111.6 | K487 E488 Q494 I495 Q509 | K487-N491 WeakPolarHBondContact O-CB 3.4Å; K487-N491 PolarHBondContact O-N 3Å; K487-N491 PolarHBondContact O-ND2 3.43Å; E488-N491 PolarHBondContact O-N 3.36Å; N491-Q494 PolarHBondContact O-N 3.4Å; N491-I495 VanDerWaalsContact O-CG1 3.28Å; N491-I495 WeakPolarHBondContact O-CG1 3.21Å; N491-I495 PolarHBondContact O-N 2.93Å; N491-Q509 PolarHBondContact OD1-NE2 3.11Å; N491-Q509 PolarHBondContact OD1-OE1 2.93Å |
| 492 | K | 90.6 | Very high | 89 | Confident | 132 Ų | 132 | 53.8 Ų | 53.8 | 57% | 0.574 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -59.4 | -51 | 174.3 | -171.9 | -179 | 176.5 | -179.7 | 0 | 111.2 | E488 N489 F490 Q494 I495 D496 | E488-K492 WeakPolarHBondContact O-CB 3.48Å; E488-K492 PolarHBondContact O-N 3.19Å; N489-K492 PolarHBondContact O-N 2.62Å; F490-K492 VanDerWaalsContact C-N 3.28Å; F490-K492 PolarHBondContact O-N 2.9Å; K492-Q494 VanDerWaalsContact C-N 3.26Å; K492-Q494 PolarHBondContact O-N 3.05Å; K492-I495 PolarHBondContact O-N 2.99Å; K492-D496 VanDerWaalsContact O-CB 3.23Å; K492-D496 WeakPolarHBondContact O-CB 3.32Å; K492-D496 PolarHBondContact O-N 3.15Å |
| 493 | K | 90.1 | Very high | 88.9 | Confident | 47 Ų | 47 | 52.9 Ų | 52.9 | 20% | 0.204 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.7 | -35.4 | 175.8 | -75.6 | -170.4 | 166.5 | -65.5 | 0 | 113 | I485 N489 F490 D496 G497 E498 F499 | I485-K493 HydrophobicContact CD1-CD 4.11Å; N489-K493 WeakPolarHBondContact O-CG 3.3Å; N489-K493 PolarHBondContact O-N 3.48Å; F490-K493 PolarHBondContact O-N 3.46Å; K493-D496 CarbonylContact O-C 3.57Å; K493-D496 WeakPolarHBondContact O-CB 3.28Å; K493-D496 PolarHBondContact O-N 3.35Å; K493-G497 PolarHBondContact O-N 3.08Å; K493-E498 HydrophobicContact CB-CB 4.47Å; K493-E498 WeakPolarHBondContact CD-OE2 3.12Å; K493-E498 WeakPolarHBondContact CG-OE2 3.43Å; K493-E498 IonicContact NZ-OE1 3.86Å; K493-E498 IonicContact NZ-OE2 3.21Å; K493-E498 PolarHBondContact NZ-OE2 3.36Å; K493-E498 WeakPolarHBondContact O-CB 3.15Å; K493-E498 PolarHBondContact O-N 2.9Å; K493-F499 HydrophobicContact CB-CE2 3.67Å; K493-F499 HydrophobicContact CB-CZ 3.71Å; K493-F499 HydrophobicContact CD-CZ 4.19Å |
| 494 | Q | 86.8 | Confident | 88.6 | Confident | 31 Ų | 31 | 55.4 Ų | 55.4 | 15% | 0.145 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.8 | -45.9 | 175.4 | -172.4 | 173.8 | 21 | 0 | 0 | 112 | H375 F490 N491 K492 D496 G497 F499 T502 | H375-Q494 PolarHBondContact CD2-O 3.38Å; F490-Q494 PolarHBondContact O-N 3.04Å; N491-Q494 PolarHBondContact O-N 3.4Å; K492-Q494 VanDerWaalsContact C-N 3.26Å; K492-Q494 PolarHBondContact O-N 3.05Å; Q494-D496 PolarHBondContact O-N 3.37Å; Q494-G497 WeakPolarHBondContact O-CA 3.49Å; Q494-G497 PolarHBondContact O-N 2.95Å; Q494-F499 HydrophobicContact CB-CD2 3.94Å; Q494-F499 HydrophobicContact CB-CE2 4.1Å; Q494-F499 HydrophobicContact CG-CD2 4.44Å; Q494-T502 HydrophobicContact CG-CG2 4.34Å; Q494-T502 PolarHBondContact NE2-OG1 3.45Å |
| 495 | I | 86.1 | Confident | 88 | Confident | 105 Ų | 105 | 55.7 Ų | 55.7 | 54% | 0.538 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.7 | -35.1 | 173.9 | -68.1 | 164.7 | 0 | 0 | 0 | 110.5 | H375 N491 K492 G497 | H375-I495 WeakPolarHBondContact CB-O 3.41Å; H375-I495 PolarHBondContact ND1-O 3.08Å; H375-I495 VanDerWaalsContact ND1-O 3.15Å; N491-I495 VanDerWaalsContact O-CG1 3.28Å; N491-I495 WeakPolarHBondContact O-CG1 3.21Å; N491-I495 PolarHBondContact O-N 2.93Å; K492-I495 PolarHBondContact O-N 2.99Å; I495-G497 PolarHBondContact O-N 3.26Å |
| 496 | D | 85.3 | Confident | 87 | Confident | 49 Ų | 49 | 55 Ų | 55 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -0.4 | 172.3 | -82.8 | -43.7 | 0 | 0 | 0 | 113.2 | K379 K492 K493 Q494 E498 | K379-D496 VanDerWaalsContact CD-O 3.25Å; K379-D496 WeakPolarHBondContact CD-O 3.35Å; K379-D496 WeakPolarHBondContact CE-O 3.18Å; K379-D496 VanDerWaalsContact NZ-CA 3.3Å; K379-D496 PolarHBondContact NZ-O 3.38Å; K379-D496 IonicContact NZ-OD1 2.79Å; K379-D496 PolarHBondContact NZ-OD1 2.95Å; K492-D496 VanDerWaalsContact O-CB 3.23Å; K492-D496 WeakPolarHBondContact O-CB 3.32Å; K492-D496 PolarHBondContact O-N 3.15Å; K493-D496 CarbonylContact O-C 3.57Å; K493-D496 WeakPolarHBondContact O-CB 3.28Å; K493-D496 PolarHBondContact O-N 3.35Å; Q494-D496 PolarHBondContact O-N 3.37Å; D496-E498 HydrophobicContact CB-CG 3.93Å; D496-E498 PolarHBondContact O-N 2.82Å; D496-E498 VanDerWaalsContact O-N 3.07Å |
| 497 | G | 83.4 | Confident | 86.3 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 6% | 0.062 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 25.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q376 K493 Q494 I495 F499 | Q376-G497 WeakPolarHBondContact CG-O 3.45Å; K493-G497 PolarHBondContact O-N 3.08Å; Q494-G497 WeakPolarHBondContact O-CA 3.49Å; Q494-G497 PolarHBondContact O-N 2.95Å; I495-G497 PolarHBondContact O-N 3.26Å; G497-F499 VanDerWaalsContact C-N 3.3Å |
| 498 | E | 88.4 | Confident | 86.1 | Confident | 53 Ų | 53 | 49.6 Ų | 49.6 | 25% | 0.248 | 26% | 0.255 | C | S | . | . | trans | -76.4 | -21.6 | -177.6 | -65.8 | -174.2 | -170.3 | 0 | 0 | 112.6 | K493 D496 S513 W514 | K493-E498 HydrophobicContact CB-CB 4.47Å; K493-E498 WeakPolarHBondContact CD-OE2 3.12Å; K493-E498 WeakPolarHBondContact CG-OE2 3.43Å; K493-E498 IonicContact NZ-OE1 3.86Å; K493-E498 IonicContact NZ-OE2 3.21Å; K493-E498 PolarHBondContact NZ-OE2 3.36Å; K493-E498 WeakPolarHBondContact O-CB 3.15Å; K493-E498 PolarHBondContact O-N 2.9Å; D496-E498 HydrophobicContact CB-CG 3.93Å; D496-E498 PolarHBondContact O-N 2.82Å; D496-E498 VanDerWaalsContact O-N 3.07Å; E498-S513 WeakPolarHBondContact O-CA 3.28Å; E498-W514 PolarHBondContact O-N 3.44Å | ||
| 499 | F | 90.2 | Very high | 86 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 136.8 | 179.6 | -60.5 | -55.5 | 0 | 0 | 0 | 111.9 | H429 F490 K493 Q494 G497 T502 L512 | H429-F499 HydrophobicContact CB-CE1 3.91Å; H429-F499 HydrophobicContact CB-CZ 4.14Å; H429-F499 AromaticContact CG-CE1 3.95Å; H429-F499 AromaticContact ND1-CE1 3.83Å; F490-F499 HydrophobicContact CD1-CE2 4.1Å; F490-F499 HydrophobicContact CD2-CE2 4.24Å; F490-F499 AromaticContact CD2-CZ 3.93Å; F490-F499 HydrophobicContact CD2-CZ 3.93Å; F490-F499 HydrophobicContact CE1-CD2 4.36Å; F490-F499 AromaticContact CE1-CE2 3.78Å; F490-F499 HydrophobicContact CE1-CE2 3.78Å; F490-F499 HydrophobicContact CE1-CZ 4.36Å; F490-F499 HydrophobicContact CE2-CE1 4.36Å; F490-F499 AromaticContact CE2-CE2 3.95Å; F490-F499 HydrophobicContact CE2-CE2 3.95Å; F490-F499 AromaticContact CE2-CZ 3.67Å; F490-F499 HydrophobicContact CE2-CZ 3.67Å; F490-F499 HydrophobicContact CG-CE2 4.29Å; F490-F499 HydrophobicContact CG-CZ 4.37Å; F490-F499 HydrophobicContact CZ-CD2 4.26Å; F490-F499 AromaticContact CZ-CE2 3.69Å; F490-F499 HydrophobicContact CZ-CE2 3.69Å; F490-F499 AromaticContact CZ-CZ 3.89Å; F490-F499 HydrophobicContact CZ-CZ 3.89Å; K493-F499 HydrophobicContact CB-CE2 3.67Å; K493-F499 HydrophobicContact CB-CZ 3.71Å; K493-F499 HydrophobicContact CD-CZ 4.19Å; Q494-F499 HydrophobicContact CB-CD2 3.94Å; Q494-F499 HydrophobicContact CB-CE2 4.1Å; Q494-F499 HydrophobicContact CG-CD2 4.44Å; G497-F499 VanDerWaalsContact C-N 3.3Å; F499-T502 HydrophobicContact CB-CG2 3.75Å; F499-T502 HydrophobicContact CD2-CG2 3.58Å; F499-T502 HydrophobicContact CE2-CG2 4.4Å; F499-T502 HydrophobicContact CG-CG2 3.82Å; F499-L512 CarbonylContact C-O 3.59Å; F499-L512 WeakPolarHBondContact CA-O 3.42Å |
| 500 | I | 86.1 | Confident | 85.9 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | -47.4 | 162.3 | -63.9 | 156.6 | 0 | 0 | 0 | 108.5 | L512 W514 L517 L539 A542 L544 | I500-L512 WeakPolarHBondContact CB-O 3.24Å; I500-L512 HydrophobicContact CD1-CD2 3.91Å; I500-L512 HydrophobicContact CD1-CG 3.96Å; I500-L512 PolarHBondContact N-O 3.18Å; I500-W514 HydrophobicContact CB-CZ2 4.37Å; I500-W514 HydrophobicContact CD1-CD2 3.99Å; I500-W514 HydrophobicContact CD1-CE3 3.99Å; I500-W514 HydrophobicContact CD1-CG 4.39Å; I500-W514 HydrophobicContact CD1-CZ3 4.34Å; I500-W514 HydrophobicContact CG1-CB 4.45Å; I500-W514 HydrophobicContact CG1-CD2 3.3Å; I500-W514 HydrophobicContact CG1-CE3 3.76Å; I500-W514 HydrophobicContact CG1-CG 3.64Å; I500-W514 HydrophobicContact CG1-CH2 4.13Å; I500-W514 HydrophobicContact CG1-CZ2 3.71Å; I500-W514 HydrophobicContact CG1-CZ3 4.14Å; I500-W514 HydrophobicContact CG2-CZ2 4.22Å; I500-L517 HydrophobicContact CD1-CB 4.08Å; I500-L517 HydrophobicContact CD1-CD2 3.77Å; I500-L539 HydrophobicContact CG2-CD2 4.23Å; I500-A542 HydrophobicContact CG2-CB 3.78Å; I500-L544 HydrophobicContact CD1-CD1 4.26Å; I500-L544 HydrophobicContact CG2-CD1 3.89Å |
| 501 | Q | 87.8 | Confident | 85.9 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 2% | 0.023 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 145 | -175.5 | 170.9 | 164.9 | 22.8 | 0 | 0 | 110.3 | D368 G511 L512 E534 L535 | D368-Q501 WeakPolarHBondContact OD2-CA 3.49Å; D368-Q501 WeakPolarHBondContact OD2-CG 3.28Å; Q501-G511 WeakPolarHBondContact O-CA 3.32Å; Q501-L512 PolarHBondContact O-N 3.29Å; Q501-E534 PolarHBondContact NE2-O 3.28Å; Q501-L535 VanDerWaalsContact OE1-CA 3.23Å; Q501-L535 PolarHBondContact OE1-O 3.27Å |
| 502 | T | 89.7 | Confident | 86 | Confident | 18 Ų | 18 | 38.8 Ų | 38.8 | 11% | 0.11 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 158.3 | 165 | 79.5 | 0 | 0 | 0 | 0 | 111.9 | D368 F490 Q494 F499 Y510 | D368-T502 VanDerWaalsContact CG-O 3.28Å; D368-T502 WeakPolarHBondContact OD1-CB 3.48Å; D368-T502 PolarHBondContact OD1-N 2.87Å; D368-T502 PolarHBondContact OD1-OG1 3.27Å; D368-T502 PolarHBondContact OD2-N 3.3Å; F490-T502 HydrophobicContact CE1-CG2 4.11Å; F490-T502 HydrophobicContact CZ-CG2 4.03Å; Q494-T502 HydrophobicContact CG-CG2 4.34Å; Q494-T502 PolarHBondContact NE2-OG1 3.45Å; F499-T502 HydrophobicContact CB-CG2 3.75Å; F499-T502 HydrophobicContact CD2-CG2 3.58Å; F499-T502 HydrophobicContact CE2-CG2 4.4Å; F499-T502 HydrophobicContact CG-CG2 3.82Å; T502-Y510 CarbonylContact C-O 3.13Å; T502-Y510 WeakPolarHBondContact CA-O 3.4Å |
| 503 | A | 85.8 | Confident | 86 | Confident | 26 Ų | 26 | 32.5 Ų | 32.5 | 22% | 0.215 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 148.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | I505 Y510 | A503-I505 HydrophobicContact CB-CG1 4.44Å; A503-Y510 PolarHBondContact N-O 3.41Å; A503-Y510 PolarHBondContact O-N 2.91Å |
| 504 | Q | 83.1 | Confident | 85.9 | Confident | 138 Ų | 138 | 31.3 Ų | 31.3 | 65% | 0.645 | 17% | 0.166 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 117.8 | 171.1 | -166 | 175.5 | 7.1 | 0 | 0 | 109.4 | G507 Y508 | Q504-G507 PolarHBondContact NE2-O 3.39Å; Q504-Y508 CarbonylContact C-O 3.37Å; Q504-Y508 VanDerWaalsContact CA-O 3.24Å; Q504-Y508 WeakPolarHBondContact CA-O 3.26Å |
| 505 | I | 76.9 | Confident | 85.9 | Confident | 41 Ų | 41 | 35.4 Ų | 35.4 | 21% | 0.21 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 122.3 | -177.5 | -54.8 | 174.4 | 0 | 0 | 0 | 107.9 | A503 G507 Y508 Y510 | A503-I505 HydrophobicContact CB-CG1 4.44Å; I505-G507 PolarHBondContact O-N 3.2Å; I505-Y508 PolarHBondContact N-O 3Å; I505-Y508 PolarHBondContact O-N 2.87Å; I505-Y510 HydrophobicContact CB-CD2 3.95Å; I505-Y510 HydrophobicContact CB-CE2 3.8Å; I505-Y510 HydrophobicContact CD1-CD2 4.09Å; I505-Y510 HydrophobicContact CD1-CE2 4.46Å; I505-Y510 HydrophobicContact CG1-CD2 4.1Å; I505-Y510 HydrophobicContact CG1-CE2 4.42Å |
| 506 | M | 71.4 | Confident | 86.1 | Confident | 21 Ų | 21 | 31.5 Ų | 31.5 | 10% | 0.103 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 37.3 | -176.7 | -59.4 | 177.6 | 174.8 | 0 | 0 | 112.9 | V404 Y508 I567 I570 Y598 | V404-M506 HydrophobicContact CB-CE 4.29Å; V404-M506 HydrophobicContact CG1-CE 4.02Å; V404-M506 HydrophobicContact CG2-CE 4.28Å; M506-Y508 VanDerWaalsContact C-N 3.3Å; M506-Y508 WeakPolarHBondContact O-CD2 3.25Å; M506-Y508 PolarHBondContact O-N 3.08Å; M506-I567 HydrophobicContact CE-CD1 4.05Å; M506-I567 HydrophobicContact CE-CG1 3.63Å; M506-I567 HydrophobicContact SD-CG1 4.22Å; M506-I570 HydrophobicContact SD-CD1 3.59Å; M506-I570 VanDerWaalsContact SD-CD1 3.59Å; M506-Y598 HydrophobicContact CE-CD2 4.09Å; M506-Y598 HydrophobicContact CE-CE1 4.44Å; M506-Y598 HydrophobicContact CE-CE2 3.31Å; M506-Y598 HydrophobicContact CG-CE2 4.07Å; M506-Y598 WeakPolarHBondContact CG-OH 3.44Å |
| 507 | G | 75.1 | Confident | 86.2 | Confident | 41 Ų | 41 | 29.1 Ų | 29.1 | 42% | 0.423 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -15.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q504 I505 | Q504-G507 PolarHBondContact NE2-O 3.39Å; I505-G507 PolarHBondContact O-N 3.2Å |
| 508 | Y | 83.7 | Confident | 86.4 | Confident | 35 Ų | 35 | 28.9 Ų | 28.9 | 14% | 0.137 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 149.1 | 179.4 | -61.1 | -76.8 | 0 | 0 | 0 | 112.1 | D431 R432 Q504 I505 M506 I570 Q574 | D431-Y508 WeakPolarHBondContact OD1-CA 3.47Å; D431-Y508 WeakPolarHBondContact OD1-CB 3.35Å; R432-Y508 HydrophobicContact CB-CD1 3.74Å; R432-Y508 HydrophobicContact CB-CD2 4.34Å; R432-Y508 HydrophobicContact CB-CE1 4.26Å; R432-Y508 HydrophobicContact CB-CG 3.78Å; R432-Y508 HydrophobicContact CG-CD1 4.02Å; R432-Y508 HydrophobicContact CG-CD2 4.06Å; R432-Y508 HydrophobicContact CG-CE1 4.11Å; R432-Y508 HydrophobicContact CG-CE2 4.15Å; R432-Y508 HydrophobicContact CG-CG 3.98Å; Q504-Y508 CarbonylContact C-O 3.37Å; Q504-Y508 VanDerWaalsContact CA-O 3.24Å; Q504-Y508 WeakPolarHBondContact CA-O 3.26Å; I505-Y508 PolarHBondContact N-O 3Å; I505-Y508 PolarHBondContact O-N 2.87Å; M506-Y508 VanDerWaalsContact C-N 3.3Å; M506-Y508 WeakPolarHBondContact O-CD2 3.25Å; M506-Y508 PolarHBondContact O-N 3.08Å; Y508-I570 HydrophobicContact CE2-CG2 3.67Å; Y508-Q574 WeakPolarHBondContact OH-CG 3.3Å; Y508-Q574 PolarHBondContact OH-NE2 3.42Å |
| 509 | Q | 89.4 | Confident | 86.3 | Confident | 28 Ų | 28 | 29.1 Ų | 29.1 | 13% | 0.131 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 138.4 | 176.9 | -62.9 | 177.8 | -80 | 0 | 0 | 110.4 | T430 D431 F490 N491 | T430-Q509 WeakPolarHBondContact CA-O 3.46Å; T430-Q509 WeakPolarHBondContact CB-O 3.18Å; T430-Q509 PolarHBondContact OG1-O 3.41Å; D431-Q509 PolarHBondContact N-O 2.97Å; D431-Q509 PolarHBondContact OD1-N 3.2Å; F490-Q509 HydrophobicContact CD1-CB 3.88Å; F490-Q509 HydrophobicContact CD1-CG 4.48Å; F490-Q509 HydrophobicContact CD2-CB 4.34Å; F490-Q509 HydrophobicContact CE1-CB 3.67Å; F490-Q509 HydrophobicContact CE1-CG 4.38Å; F490-Q509 HydrophobicContact CE2-CB 4.15Å; F490-Q509 HydrophobicContact CG-CB 4.24Å; F490-Q509 HydrophobicContact CZ-CB 3.82Å; N491-Q509 PolarHBondContact OD1-NE2 3.11Å; N491-Q509 PolarHBondContact OD1-OE1 2.93Å |
| 510 | Y | 91.4 | Very high | 86.1 | Confident | 34 Ų | 34 | 29.4 Ų | 29.4 | 13% | 0.133 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 136.4 | 174.2 | -66.9 | -94.1 | 0 | 0 | 0 | 108.5 | H429 T430 R432 Y482 T502 A503 I505 | H429-Y510 CarbonylContact O-C 3.46Å; H429-Y510 VanDerWaalsContact O-CA 3.3Å; H429-Y510 WeakPolarHBondContact O-CA 3.42Å; T430-Y510 HydrophobicContact CG2-CE1 4.21Å; T430-Y510 VanDerWaalsContact OG1-CE1 3.28Å; T430-Y510 WeakPolarHBondContact OG1-CE1 3.38Å; R432-Y510 WeakPolarHBondContact CD-OH 3.32Å; R432-Y510 PolarHBondContact NE-OH 3.32Å; R432-Y510 VanDerWaalsContact NE-OH 3.16Å; Y482-Y510 HydrophobicContact CD1-CD1 4.31Å; Y482-Y510 HydrophobicContact CD1-CE1 4.27Å; Y482-Y510 AromaticContact CE1-CD1 3.92Å; Y482-Y510 HydrophobicContact CE1-CD1 3.92Å; Y482-Y510 AromaticContact CE1-CE1 3.79Å; Y482-Y510 HydrophobicContact CE1-CE1 3.79Å; T502-Y510 CarbonylContact C-O 3.13Å; T502-Y510 WeakPolarHBondContact CA-O 3.4Å; A503-Y510 PolarHBondContact N-O 3.41Å; A503-Y510 PolarHBondContact O-N 2.91Å; I505-Y510 HydrophobicContact CB-CD2 3.95Å; I505-Y510 HydrophobicContact CB-CE2 3.8Å; I505-Y510 HydrophobicContact CD1-CD2 4.09Å; I505-Y510 HydrophobicContact CD1-CE2 4.46Å; I505-Y510 HydrophobicContact CG1-CD2 4.1Å; I505-Y510 HydrophobicContact CG1-CE2 4.42Å |
| 511 | G | 92.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 122.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | C428 H429 Q501 | C428-G511 WeakPolarHBondContact CA-O 3.21Å; H429-G511 PolarHBondContact N-O 2.97Å; H429-G511 PolarHBondContact O-N 3.49Å; Q501-G511 WeakPolarHBondContact O-CA 3.32Å |
| 512 | L | 92.7 | Very high | 85.7 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 115.5 | 173.6 | -179.5 | 69.3 | 0 | 0 | 0 | 109.1 | L426 F499 I500 Q501 V529 L535 L539 | L426-L512 HydrophobicContact CD1-CD1 3.95Å; L426-L512 HydrophobicContact CD2-CD1 3.71Å; L426-L512 HydrophobicContact CD2-CD2 4.01Å; L426-L512 HydrophobicContact CD2-CG 4.42Å; L426-L512 HydrophobicContact CG-CD1 3.51Å; F499-L512 CarbonylContact C-O 3.59Å; F499-L512 WeakPolarHBondContact CA-O 3.42Å; I500-L512 WeakPolarHBondContact CB-O 3.24Å; I500-L512 HydrophobicContact CD1-CD2 3.91Å; I500-L512 HydrophobicContact CD1-CG 3.96Å; I500-L512 PolarHBondContact N-O 3.18Å; Q501-L512 PolarHBondContact O-N 3.29Å; L512-V529 HydrophobicContact CD1-CG2 4.31Å; L512-V529 HydrophobicContact CD2-CG2 4.46Å; L512-L535 HydrophobicContact CD2-CD1 4.37Å; L512-L539 HydrophobicContact CD2-CD2 3.62Å |
| 513 | S | 91.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 146.1 | -174.7 | 62.2 | 0 | 0 | 0 | 0 | 113.5 | H429 E498 E515 I516 L517 | H429-S513 PolarHBondContact CE1-OG 2.82Å; E498-S513 WeakPolarHBondContact O-CA 3.28Å; S513-E515 VanDerWaalsContact C-N 3.31Å; S513-E515 PolarHBondContact O-N 2.92Å; S513-I516 WeakPolarHBondContact OG-CD1 3.38Å; S513-I516 WeakPolarHBondContact OG-CG1 3.32Å; S513-L517 PolarHBondContact O-N 3.01Å |
| 514 | W | 86.5 | Confident | 85.2 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 8% | 0.083 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -40.1 | 171.5 | -78.6 | 107.7 | 0 | 0 | 0 | 112.9 | R384 C386 E498 I500 I516 L517 E518 L544 | R384-W514 VanDerWaalsContact CZ-CD2 3.49Å; R384-W514 VanDerWaalsContact CZ-CE2 3.42Å; R384-W514 VanDerWaalsContact NH1-CD2 3.33Å; C386-W514 WeakPolarHBondContact SG-CZ3 3.36Å; E498-W514 PolarHBondContact O-N 3.44Å; I500-W514 HydrophobicContact CB-CZ2 4.37Å; I500-W514 HydrophobicContact CD1-CD2 3.99Å; I500-W514 HydrophobicContact CD1-CE3 3.99Å; I500-W514 HydrophobicContact CD1-CG 4.39Å; I500-W514 HydrophobicContact CD1-CZ3 4.34Å; I500-W514 HydrophobicContact CG1-CB 4.45Å; I500-W514 HydrophobicContact CG1-CD2 3.3Å; I500-W514 HydrophobicContact CG1-CE3 3.76Å; I500-W514 HydrophobicContact CG1-CG 3.64Å; I500-W514 HydrophobicContact CG1-CH2 4.13Å; I500-W514 HydrophobicContact CG1-CZ2 3.71Å; I500-W514 HydrophobicContact CG1-CZ3 4.14Å; I500-W514 HydrophobicContact CG2-CZ2 4.22Å; W514-I516 VanDerWaalsContact C-N 3.32Å; W514-I516 PolarHBondContact O-N 3.25Å; W514-L517 HydrophobicContact CE3-CD2 4.15Å; W514-L517 HydrophobicContact CZ3-CD2 3.91Å; W514-L517 PolarHBondContact O-N 3.35Å; W514-L517 VanDerWaalsContact O-N 3.11Å; W514-E518 WeakPolarHBondContact O-CG 3.33Å; W514-E518 PolarHBondContact O-N 3.12Å; W514-L544 HydrophobicContact CH2-CD1 4.16Å; W514-L544 HydrophobicContact CH2-CD2 3.95Å; W514-L544 HydrophobicContact CH2-CG 4.25Å; W514-L544 HydrophobicContact CZ3-CD1 4.39Å; W514-L544 HydrophobicContact CZ3-CD2 3.97Å |
| 515 | E | 88.2 | Confident | 85.2 | Confident | 117 Ų | 117 | 39.6 Ų | 39.6 | 55% | 0.547 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.7 | -43.4 | -176.7 | -177 | 177.9 | -170.8 | 0 | 0 | 112.6 | S513 E518 S519 | S513-E515 VanDerWaalsContact C-N 3.31Å; S513-E515 PolarHBondContact O-N 2.92Å; E515-E518 PolarHBondContact O-N 3.34Å; E515-S519 WeakPolarHBondContact O-CB 3.17Å; E515-S519 PolarHBondContact O-N 2.81Å |
| 516 | I | 89.1 | Confident | 85.5 | Confident | 22 Ų | 22 | 38.1 Ų | 38.1 | 11% | 0.113 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.1 | -43.7 | 177.3 | -58.9 | 168.6 | 0 | 0 | 0 | 110.2 | L426 I427 Y483 S513 W514 E518 S519 I520 | L426-I516 HydrophobicContact CD1-CB 4.21Å; L426-I516 HydrophobicContact CD1-CG2 3.65Å; I427-I516 WeakPolarHBondContact O-CD1 3.32Å; Y483-I516 HydrophobicContact CD2-CD1 3.56Å; Y483-I516 HydrophobicContact CE2-CD1 3.44Å; Y483-I516 VanDerWaalsContact CE2-CD1 3.44Å; Y483-I516 HydrophobicContact CE2-CG1 4.06Å; S513-I516 WeakPolarHBondContact OG-CD1 3.38Å; S513-I516 WeakPolarHBondContact OG-CG1 3.32Å; W514-I516 VanDerWaalsContact C-N 3.32Å; W514-I516 PolarHBondContact O-N 3.25Å; I516-E518 PolarHBondContact O-N 2.89Å; I516-S519 PolarHBondContact O-N 2.93Å; I516-I520 HydrophobicContact CG2-CD1 4.31Å; I516-I520 WeakPolarHBondContact O-CG1 3.45Å; I516-I520 PolarHBondContact O-N 2.88Å |
| 517 | L | 88.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 177.4 | -178.4 | 62.4 | 0 | 0 | 0 | 111.6 | C386 Y395 I397 L426 I500 S513 W514 I520 A521 L544 | C386-L517 HydrophobicContact CB-CD2 4.37Å; C386-L517 HydrophobicContact CB-CG 4.32Å; Y395-L517 HydrophobicContact CD1-CD1 4.36Å; I397-L517 HydrophobicContact CD1-CD1 3.79Å; I397-L517 HydrophobicContact CD1-CD2 4.01Å; I397-L517 HydrophobicContact CG1-CD1 4.07Å; L426-L517 HydrophobicContact CD1-CB 4.23Å; L426-L517 HydrophobicContact CD1-CD1 4.42Å; L426-L517 HydrophobicContact CD2-CD1 4.15Å; I500-L517 HydrophobicContact CD1-CB 4.08Å; I500-L517 HydrophobicContact CD1-CD2 3.77Å; S513-L517 PolarHBondContact O-N 3.01Å; W514-L517 HydrophobicContact CE3-CD2 4.15Å; W514-L517 HydrophobicContact CZ3-CD2 3.91Å; W514-L517 PolarHBondContact O-N 3.35Å; W514-L517 VanDerWaalsContact O-N 3.11Å; L517-I520 PolarHBondContact O-N 2.84Å; L517-A521 WeakPolarHBondContact O-CB 3.49Å; L517-A521 PolarHBondContact O-N 3.4Å; L517-L544 HydrophobicContact CD2-CD1 3.81Å; L517-L544 HydrophobicContact CD2-CD2 3.92Å |
| 518 | E | 85.9 | Confident | 87.1 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.1 | -40.2 | 174.8 | -72.5 | 177.6 | -170.5 | 0 | 0 | 111.8 | R382 R384 W514 E515 I516 I520 A521 R522 | R382-E518 IonicContact CZ-OE1 2.83Å; R382-E518 IonicContact CZ-OE2 3.58Å; R382-E518 IonicContact NE-OE1 3.27Å; R382-E518 IonicContact NH2-OE1 3.88Å; R382-E518 PolarHBondContact NH2-OE1 3.48Å; R382-E518 IonicContact NH2-OE2 2.77Å; R382-E518 PolarHBondContact NH2-OE2 3.47Å; R384-E518 HydrophobicContact CB-CG 4.31Å; R384-E518 WeakPolarHBondContact CB-OE1 3.49Å; R384-E518 WeakPolarHBondContact CD-OE1 3.45Å; R384-E518 VanDerWaalsContact CG-OE1 3.24Å; R384-E518 WeakPolarHBondContact CG-OE1 3.36Å; R384-E518 IonicContact NE-OE1 2.75Å; W514-E518 WeakPolarHBondContact O-CG 3.33Å; W514-E518 PolarHBondContact O-N 3.12Å; E515-E518 PolarHBondContact O-N 3.34Å; I516-E518 PolarHBondContact O-N 2.89Å; E518-I520 VanDerWaalsContact C-N 3.26Å; E518-I520 PolarHBondContact O-N 3.4Å; E518-A521 WeakPolarHBondContact O-CA 3.24Å; E518-A521 WeakPolarHBondContact O-CB 3.45Å; E518-A521 PolarHBondContact O-N 3.23Å; E518-A521 VanDerWaalsContact O-N 3.14Å; E518-R522 WeakPolarHBondContact O-CG 3.31Å; E518-R522 PolarHBondContact O-N 2.81Å; E518-R522 IonicContact OE2-NH2 2.69Å; E518-R522 PolarHBondContact OE2-NH2 3.46Å |
| 519 | S | 87 | Confident | 87.6 | Confident | 57 Ų | 57 | 33.5 Ų | 33.5 | 40% | 0.399 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.5 | -36.2 | 176.3 | -178.5 | 0 | 0 | 0 | 0 | 112 | E515 I516 R523 | E515-S519 WeakPolarHBondContact O-CB 3.17Å; E515-S519 PolarHBondContact O-N 2.81Å; I516-S519 PolarHBondContact O-N 2.93Å; S519-R523 WeakPolarHBondContact O-CG 3.23Å |
| 520 | I | 86.4 | Confident | 87.7 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.036 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.4 | -43.8 | 173.3 | -68.8 | 178.4 | 0 | 0 | 0 | 109.5 | Y395 I424 L426 I516 L517 E518 R522 R523 G524 L525 | Y395-I520 HydrophobicContact CE1-CG2 4.09Å; Y395-I520 VanDerWaalsContact OH-C 3.31Å; Y395-I520 PolarHBondContact OH-O 2.55Å; I424-I520 HydrophobicContact CB-CD1 4.33Å; I424-I520 HydrophobicContact CB-CG1 4.42Å; I424-I520 HydrophobicContact CG2-CD1 3.7Å; I424-I520 HydrophobicContact CG2-CG1 3.82Å; L426-I520 HydrophobicContact CB-CD1 4.07Å; L426-I520 HydrophobicContact CD1-CD1 3.68Å; L426-I520 HydrophobicContact CG-CD1 4.47Å; I516-I520 HydrophobicContact CG2-CD1 4.31Å; I516-I520 WeakPolarHBondContact O-CG1 3.45Å; I516-I520 PolarHBondContact O-N 2.88Å; L517-I520 PolarHBondContact O-N 2.84Å; E518-I520 VanDerWaalsContact C-N 3.26Å; E518-I520 PolarHBondContact O-N 3.4Å; I520-R522 PolarHBondContact O-N 2.88Å; I520-R523 WeakPolarHBondContact O-CA 3.33Å; I520-R523 WeakPolarHBondContact O-CB 3.46Å; I520-R523 PolarHBondContact O-N 2.91Å; I520-G524 PolarHBondContact O-N 3.21Å; I520-L525 WeakPolarHBondContact CG2-O 3.47Å |
| 521 | A | 82.2 | Confident | 87.7 | Confident | 13 Ų | 13 | 32.4 Ų | 32.4 | 11% | 0.107 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -51 | -51 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | D385 C386 Y395 L517 E518 R523 G524 | D385-A521 HydrophobicContact CB-CB 4.48Å; C386-A521 HydrophobicContact CB-CB 4.24Å; Y395-A521 HydrophobicContact CD2-CB 4.25Å; Y395-A521 HydrophobicContact CE2-CB 3.89Å; Y395-A521 WeakPolarHBondContact OH-CA 3.06Å; Y395-A521 PolarHBondContact OH-N 2.89Å; L517-A521 WeakPolarHBondContact O-CB 3.49Å; L517-A521 PolarHBondContact O-N 3.4Å; E518-A521 WeakPolarHBondContact O-CA 3.24Å; E518-A521 WeakPolarHBondContact O-CB 3.45Å; E518-A521 PolarHBondContact O-N 3.23Å; E518-A521 VanDerWaalsContact O-N 3.14Å; A521-R523 PolarHBondContact O-N 3.49Å; A521-R523 VanDerWaalsContact O-N 3.15Å; A521-G524 PolarHBondContact O-N 3.43Å |
| 522 | R | 84 | Confident | 87.5 | Confident | 141 Ų | 141 | 32.8 Ų | 32.8 | 53% | 0.532 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58.8 | -26.1 | 177.9 | -70.2 | 175.4 | -163 | 118.4 | 15.7 | 113.7 | D385 E518 I520 | D385-R522 HydrophobicContact CB-CG 4.09Å; D385-R522 IonicContact OD2-CZ 3.83Å; D385-R522 IonicContact OD2-NE 3.72Å; D385-R522 PolarHBondContact OD2-NE 2.8Å; D385-R522 IonicContact OD2-NH2 3.68Å; D385-R522 PolarHBondContact OD2-NH2 3.35Å; E518-R522 WeakPolarHBondContact O-CG 3.31Å; E518-R522 PolarHBondContact O-N 2.81Å; E518-R522 IonicContact OE2-NH2 2.69Å; E518-R522 PolarHBondContact OE2-NH2 3.46Å; I520-R522 PolarHBondContact O-N 2.88Å |
| 523 | R | 84.5 | Confident | 87.4 | Confident | 164 Ų | 164 | 32.7 Ų | 32.7 | 62% | 0.619 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -8.3 | 177.8 | -64.6 | 175.6 | 65.2 | 173.4 | -0.3 | 113.1 | I424 S519 I520 A521 L525 | I424-R523 VanDerWaalsContact CD1-NH1 3.31Å; S519-R523 WeakPolarHBondContact O-CG 3.23Å; I520-R523 WeakPolarHBondContact O-CA 3.33Å; I520-R523 WeakPolarHBondContact O-CB 3.46Å; I520-R523 PolarHBondContact O-N 2.91Å; A521-R523 PolarHBondContact O-N 3.49Å; A521-R523 VanDerWaalsContact O-N 3.15Å; R523-L525 VanDerWaalsContact C-N 3.31Å; R523-L525 HydrophobicContact CB-CD1 4.11Å; R523-L525 HydrophobicContact CB-CG 4.36Å; R523-L525 PolarHBondContact O-N 2.84Å |
| 524 | G | 78.7 | Confident | 87.1 | Confident | 62 Ų | 62 | 34.2 Ų | 34.2 | 64% | 0.639 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 19.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | I520 A521 | I520-G524 PolarHBondContact O-N 3.21Å; A521-G524 PolarHBondContact O-N 3.43Å |
| 525 | L | 83.5 | Confident | 87.3 | Confident | 23 Ų | 23 | 34 Ų | 34 | 12% | 0.12 | 18% | 0.179 | C | C | . | . | trans | -111 | 139.1 | -173.4 | -66 | 168.6 | 0 | 0 | 0 | 112.8 | Y395 N421 Y422 I424 I520 R523 | Y395-L525 WeakPolarHBondContact CE1-O 2.88Å; Y395-L525 VanDerWaalsContact CZ-O 3.28Å; Y395-L525 VanDerWaalsContact OH-C 3.25Å; Y395-L525 PolarHBondContact OH-N 3.45Å; Y395-L525 PolarHBondContact OH-O 2.89Å; N421-L525 VanDerWaalsContact C-CD2 3.46Å; N421-L525 WeakPolarHBondContact O-CD2 3.46Å; Y422-L525 CarbonylContact O-C 3.51Å; I424-L525 HydrophobicContact CD1-CB 4.14Å; I424-L525 HydrophobicContact CD1-CD1 3.24Å; I424-L525 HydrophobicContact CD1-CG 4.3Å; I424-L525 HydrophobicContact CG1-CB 4.24Å; I424-L525 HydrophobicContact CG1-CD1 3.78Å; I520-L525 WeakPolarHBondContact CG2-O 3.47Å; R523-L525 VanDerWaalsContact C-N 3.31Å; R523-L525 HydrophobicContact CB-CD1 4.11Å; R523-L525 HydrophobicContact CB-CG 4.36Å; R523-L525 PolarHBondContact O-N 2.84Å | ||
| 526 | A | 83.9 | Confident | 87.3 | Confident | 9 Ų | 9 | 28.4 Ų | 28.4 | 7% | 0.074 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 140.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | P396 Y422 F423 I424 | P396-A526 HydrophobicContact CB-CB 3.74Å; P396-A526 HydrophobicContact CG-CB 3.69Å; P396-A526 CarbonylContact O-C 3.58Å; P396-A526 WeakPolarHBondContact O-CA 3.39Å; P396-A526 VanDerWaalsContact O-CB 3.29Å; P396-A526 WeakPolarHBondContact O-CB 3.47Å; Y422-A526 WeakPolarHBondContact O-CB 3.2Å; Y422-A526 PolarHBondContact O-N 3.29Å; F423-A526 CarbonylContact C-O 3.44Å; F423-A526 VanDerWaalsContact CA-O 3.27Å; F423-A526 WeakPolarHBondContact CA-O 3.37Å; F423-A526 HydrophobicContact CD1-CB 3.41Å; F423-A526 VanDerWaalsContact CD1-CB 3.41Å; F423-A526 HydrophobicContact CE1-CB 3.43Å; F423-A526 VanDerWaalsContact CE1-CB 3.43Å; F423-A526 HydrophobicContact CG-CB 4.35Å; F423-A526 HydrophobicContact CZ-CB 4.38Å; I424-A526 PolarHBondContact N-O 3.15Å |
| 527 | G | 88.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 125.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | P396 I397 L398 I424 | P396-G527 PolarHBondContact O-N 2.71Å; P396-G527 VanDerWaalsContact O-N 3.08Å; I397-G527 WeakPolarHBondContact CA-O 3.5Å; L398-G527 PolarHBondContact N-O 3.34Å; I424-G527 CarbonylContact O-C 3.58Å; I424-G527 WeakPolarHBondContact O-CA 3.42Å |
| 528 | I | 91.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 116.2 | 170.9 | -52.9 | -173.9 | 0 | 0 | 0 | 110.1 | L398 I400 R412 L415 F423 I424 L426 | L398-I528 HydrophobicContact CB-CG1 4.27Å; L398-I528 HydrophobicContact CD2-CD1 4.21Å; L398-I528 HydrophobicContact CD2-CG1 4.27Å; L398-I528 CarbonylContact O-C 3.6Å; L398-I528 WeakPolarHBondContact O-CA 3.36Å; I400-I528 HydrophobicContact CD1-CG2 3.86Å; I400-I528 HydrophobicContact CG1-CG2 4.25Å; R412-I528 HydrophobicContact CB-CG2 4.2Å; R412-I528 VanDerWaalsContact CD-O 3.24Å; R412-I528 WeakPolarHBondContact CD-O 3.23Å; R412-I528 HydrophobicContact CG-CB 4.01Å; R412-I528 HydrophobicContact CG-CG2 3.74Å; L415-I528 HydrophobicContact CB-CD1 3.88Å; L415-I528 HydrophobicContact CD1-CD1 4.01Å; F423-I528 HydrophobicContact CB-CD1 3.65Å; F423-I528 HydrophobicContact CB-CG1 3.85Å; F423-I528 HydrophobicContact CD1-CD1 3.78Å; F423-I528 HydrophobicContact CD1-CG1 3.48Å; F423-I528 VanDerWaalsContact CD1-CG1 3.48Å; F423-I528 HydrophobicContact CD2-CD1 4.5Å; F423-I528 HydrophobicContact CE1-CG1 4.31Å; F423-I528 HydrophobicContact CG-CD1 3.74Å; F423-I528 HydrophobicContact CG-CG1 3.91Å; I424-I528 PolarHBondContact O-N 2.98Å; L426-I528 PolarHBondContact N-O 3.04Å |
| 529 | V | 92.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 146.9 | 178.2 | 71.3 | 0 | 0 | 0 | 0 | 110.6 | I397 L398 A399 I400 L426 L512 L535 L539 | I397-V529 HydrophobicContact CG2-CG1 3.86Å; L398-V529 PolarHBondContact O-N 2.99Å; A399-V529 CarbonylContact C-O 3.34Å; A399-V529 WeakPolarHBondContact CA-O 3.46Å; A399-V529 HydrophobicContact CB-CG1 3.77Å; I400-V529 PolarHBondContact N-O 3.21Å; L426-V529 HydrophobicContact CB-CB 4.15Å; L426-V529 HydrophobicContact CD2-CB 4.01Å; L426-V529 HydrophobicContact CD2-CG2 4.25Å; L426-V529 HydrophobicContact CG-CB 4.37Å; L426-V529 HydrophobicContact CG-CG2 4.42Å; L512-V529 HydrophobicContact CD1-CG2 4.31Å; L512-V529 HydrophobicContact CD2-CG2 4.46Å; V529-L535 HydrophobicContact CB-CD2 4.37Å; V529-L535 HydrophobicContact CG1-CD2 3.98Å; V529-L535 HydrophobicContact CG2-CD1 4.29Å; V529-L535 HydrophobicContact CG2-CD2 3.68Å; V529-L539 HydrophobicContact CG1-CD1 3.92Å |
| 530 | V | 92.4 | Very high | 87.1 | Confident | 26 Ų | 26 | 30.3 Ų | 30.3 | 16% | 0.158 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 133.7 | -178.2 | 171 | 0 | 0 | 0 | 0 | 108.6 | I400 K408 R412 | I400-V530 HydrophobicContact CB-CG2 4.23Å; I400-V530 HydrophobicContact CD1-CG2 4.43Å; I400-V530 WeakPolarHBondContact O-CA 3.49Å; K408-V530 HydrophobicContact CB-CB 4.45Å; K408-V530 HydrophobicContact CB-CG1 3.28Å; K408-V530 HydrophobicContact CB-CG2 4.33Å; K408-V530 HydrophobicContact CD-CG1 4.04Å; K408-V530 VanDerWaalsContact CE-CG1 3.47Å; K408-V530 HydrophobicContact CG-CG1 4.28Å; K408-V530 WeakPolarHBondContact O-CG2 3.13Å; R412-V530 HydrophobicContact CB-CG2 3.72Å; R412-V530 HydrophobicContact CG-CG2 4.34Å |
| 531 | G | 90.4 | Very high | 87 | Confident | 13 Ų | 13 | 33 Ų | 33 | 13% | 0.134 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.5 | -166.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I400 I401 G402 K408 | I400-G531 PolarHBondContact O-N 3.46Å; I400-G531 VanDerWaalsContact O-N 3.11Å; I401-G531 WeakPolarHBondContact CA-O 3.39Å; G402-G531 PolarHBondContact N-O 3.09Å; G402-G531 VanDerWaalsContact N-O 3.11Å; K408-G531 VanDerWaalsContact CE-O 3.32Å; K408-G531 WeakPolarHBondContact CE-O 3.34Å |
| 532 | E | 90.3 | Very high | 86.9 | Confident | 9 Ų | 9 | 33.4 Ų | 33.4 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | trans | -98.1 | -172.2 | 171.5 | -69 | -166.7 | -146.7 | 0 | 0 | 110.9 | V404 E534 L535 Y598 R601 | V404-E532 VanDerWaalsContact CG2-OE1 3.22Å; V404-E532 WeakPolarHBondContact CG2-OE1 3.45Å; E532-E534 WeakPolarHBondContact CB-OE2 3.29Å; E532-E534 PolarHBondContact O-N 3.11Å; E532-L535 WeakPolarHBondContact O-CB 3.37Å; E532-L535 PolarHBondContact O-N 2.75Å; E532-L535 VanDerWaalsContact O-N 3.15Å; E532-Y598 WeakPolarHBondContact OE1-CE1 3.47Å; E532-R601 IonicContact OE2-CZ 3.03Å; E532-R601 IonicContact OE2-NE 2.8Å; E532-R601 PolarHBondContact OE2-NE 3.26Å; E532-R601 VanDerWaalsContact OE2-NE 3.11Å; E532-R601 IonicContact OE2-NH2 2.73Å | ||
| 533 | L | 89 | Confident | 86.7 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.3 | -36 | -175.5 | -68.7 | 164.1 | 0 | 0 | 0 | 113.1 | L361 I401 L535 L536 Y537 L605 Y606 I609 F617 | L361-L533 HydrophobicContact CD1-CB 3.94Å; L361-L533 HydrophobicContact CD1-CD1 3.67Å; L361-L533 HydrophobicContact CD1-CG 4.48Å; I401-L533 HydrophobicContact CG2-CD2 4.06Å; I401-L533 HydrophobicContact CG2-CG 4.43Å; L533-L535 PolarHBondContact O-N 2.7Å; L533-L536 WeakPolarHBondContact O-CB 3.36Å; L533-L536 PolarHBondContact O-N 2.95Å; L533-L536 VanDerWaalsContact O-N 3.09Å; L533-Y537 VanDerWaalsContact O-CD2 3.24Å; L533-Y537 WeakPolarHBondContact O-CD2 3.38Å; L533-Y537 PolarHBondContact O-N 3.48Å; L533-L605 HydrophobicContact CD1-CD2 3.26Å; L533-Y606 HydrophobicContact CD1-CD1 3.85Å; L533-Y606 HydrophobicContact CD1-CD2 4.35Å; L533-Y606 HydrophobicContact CD1-CE1 3.72Å; L533-Y606 HydrophobicContact CD1-CE2 4.21Å; L533-Y606 HydrophobicContact CD1-CG 4.19Å; L533-Y606 HydrophobicContact CD2-CD1 3.92Å; L533-Y606 HydrophobicContact CD2-CE1 3.78Å; L533-Y606 HydrophobicContact CG-CD1 3.93Å; L533-Y606 HydrophobicContact CG-CE1 3.45Å; L533-Y606 VanDerWaalsContact CG-CE1 3.45Å; L533-I609 HydrophobicContact CD1-CD1 3.54Å; L533-I609 HydrophobicContact CD2-CG2 4.32Å; L533-F617 HydrophobicContact CD2-CE1 4.18Å; L533-F617 HydrophobicContact CD2-CZ 3.58Å |
| 534 | E | 86.3 | Confident | 86.5 | Confident | 32 Ų | 32 | 22.1 Ų | 22.1 | 15% | 0.15 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -52 | -47.7 | 176.7 | -69 | 82.9 | 172.5 | 0 | 0 | 110.3 | L361 Q501 E532 L536 Y537 G538 R601 | L361-E534 HydrophobicContact CD2-CG 4.28Å; L361-E534 WeakPolarHBondContact CD2-OE1 3.44Å; Q501-E534 PolarHBondContact NE2-O 3.28Å; E532-E534 WeakPolarHBondContact CB-OE2 3.29Å; E532-E534 PolarHBondContact O-N 3.11Å; E534-L536 VanDerWaalsContact C-N 3.31Å; E534-L536 PolarHBondContact O-N 3.09Å; E534-Y537 PolarHBondContact O-N 3.18Å; E534-G538 PolarHBondContact O-N 2.88Å; E534-R601 IonicContact OE1-CZ 2.83Å; E534-R601 IonicContact OE1-NH1 3.84Å; E534-R601 IonicContact OE1-NH2 2.86Å; E534-R601 PolarHBondContact OE1-NH2 3.01Å; E534-R601 IonicContact OE2-NH2 3.26Å; E534-R601 PolarHBondContact OE2-NH2 3.31Å |
| 535 | L | 89 | Confident | 86.5 | Confident | 17 Ų | 17 | 25.7 Ų | 25.7 | 9% | 0.089 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.1 | -44 | -180 | 177.7 | 68.1 | 0 | 0 | 0 | 111.8 | I401 Q501 L512 V529 E532 L533 Y537 G538 L539 | I401-L535 HydrophobicContact CD1-CB 4.46Å; I401-L535 HydrophobicContact CD1-CD2 4.32Å; Q501-L535 VanDerWaalsContact OE1-CA 3.23Å; Q501-L535 PolarHBondContact OE1-O 3.27Å; L512-L535 HydrophobicContact CD2-CD1 4.37Å; V529-L535 HydrophobicContact CB-CD2 4.37Å; V529-L535 HydrophobicContact CG1-CD2 3.98Å; V529-L535 HydrophobicContact CG2-CD1 4.29Å; V529-L535 HydrophobicContact CG2-CD2 3.68Å; E532-L535 WeakPolarHBondContact O-CB 3.37Å; E532-L535 PolarHBondContact O-N 2.75Å; E532-L535 VanDerWaalsContact O-N 3.15Å; L533-L535 PolarHBondContact O-N 2.7Å; L535-Y537 PolarHBondContact O-N 3.07Å; L535-G538 PolarHBondContact O-N 2.95Å; L535-L539 HydrophobicContact CD1-CD1 4.11Å; L535-L539 HydrophobicContact CD1-CG 4.2Å; L535-L539 HydrophobicContact CG-CD1 4.02Å; L535-L539 HydrophobicContact CG-CG 4.47Å; L535-L539 WeakPolarHBondContact O-CB 3.49Å; L535-L539 VanDerWaalsContact O-CG 3.25Å; L535-L539 WeakPolarHBondContact O-CG 3.37Å; L535-L539 PolarHBondContact O-N 3.29Å |
| 536 | L | 89.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63 | -45.3 | -179.4 | -179.5 | 56.7 | 0 | 0 | 0 | 111.3 | I401 L533 E534 R540 P546 S548 L616 F617 | I401-L536 HydrophobicContact CD1-CB 3.89Å; I401-L536 HydrophobicContact CG1-CB 4.07Å; I401-L536 HydrophobicContact CG1-CD2 4.34Å; L533-L536 WeakPolarHBondContact O-CB 3.36Å; L533-L536 PolarHBondContact O-N 2.95Å; L533-L536 VanDerWaalsContact O-N 3.09Å; E534-L536 VanDerWaalsContact C-N 3.31Å; E534-L536 PolarHBondContact O-N 3.09Å; L536-R540 HydrophobicContact CD1-CG 4.49Å; L536-R540 WeakPolarHBondContact O-CG 3.46Å; L536-R540 PolarHBondContact O-N 3.14Å; L536-R540 VanDerWaalsContact O-N 3.1Å; L536-P546 HydrophobicContact CD1-CG 3.84Å; L536-S548 VanDerWaalsContact CD1-CB 3.49Å; L536-L616 HydrophobicContact CD2-CD1 3.69Å; L536-L616 HydrophobicContact CD2-CG 3.9Å; L536-L616 HydrophobicContact CG-CD1 4.31Å; L536-F617 HydrophobicContact CD2-CD1 3.89Å; L536-F617 HydrophobicContact CD2-CE1 3.46Å; L536-F617 VanDerWaalsContact CD2-CE1 3.46Å; L536-F617 HydrophobicContact CD2-CZ 4.24Å |
| 537 | Y | 87.1 | Confident | 86.9 | Confident | 22 Ų | 22 | 29.3 Ų | 29.3 | 9% | 0.086 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.6 | -44.4 | 179.5 | -75.5 | -65.4 | 0 | 0 | 0 | 112.1 | L361 E362 A365 L533 E534 L535 L539 R540 L541 | L361-Y537 HydrophobicContact CB-CD2 4.39Å; L361-Y537 HydrophobicContact CB-CE2 4.24Å; E362-Y537 HydrophobicContact CG-CD1 3.82Å; E362-Y537 HydrophobicContact CG-CE1 3.44Å; E362-Y537 VanDerWaalsContact CG-CE1 3.44Å; E362-Y537 HydrophobicContact CG-CE2 4.26Å; E362-Y537 HydrophobicContact CG-CG 4.36Å; E362-Y537 WeakPolarHBondContact OE1-CE1 3.48Å; A365-Y537 VanDerWaalsContact CB-CB 3.45Å; L533-Y537 VanDerWaalsContact O-CD2 3.24Å; L533-Y537 WeakPolarHBondContact O-CD2 3.38Å; L533-Y537 PolarHBondContact O-N 3.48Å; E534-Y537 PolarHBondContact O-N 3.18Å; L535-Y537 PolarHBondContact O-N 3.07Å; Y537-L539 PolarHBondContact O-N 3.32Å; Y537-R540 PolarHBondContact O-N 3.06Å; Y537-L541 WeakPolarHBondContact O-CB 3.25Å; Y537-L541 VanDerWaalsContact O-CG 3.27Å; Y537-L541 WeakPolarHBondContact O-CG 3.47Å; Y537-L541 PolarHBondContact O-N 3.02Å |
| 538 | G | 85.3 | Confident | 87.1 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.8 | -38.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E534 L535 R540 L541 A542 | E534-G538 PolarHBondContact O-N 2.88Å; L535-G538 PolarHBondContact O-N 2.95Å; G538-R540 PolarHBondContact O-N 3.36Å; G538-L541 PolarHBondContact O-N 3.47Å; G538-A542 WeakPolarHBondContact O-CB 3.47Å; G538-A542 PolarHBondContact O-N 2.86Å |
| 539 | L | 87.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -40.9 | 172.3 | -70.7 | 174.1 | 0 | 0 | 0 | 112.7 | I397 A399 I500 L512 V529 L535 Y537 A542 G543 L544 P546 | I397-L539 HydrophobicContact CG2-CD1 4.49Å; A399-L539 HydrophobicContact CB-CD1 4.44Å; I500-L539 HydrophobicContact CG2-CD2 4.23Å; L512-L539 HydrophobicContact CD2-CD2 3.62Å; V529-L539 HydrophobicContact CG1-CD1 3.92Å; L535-L539 HydrophobicContact CD1-CD1 4.11Å; L535-L539 HydrophobicContact CD1-CG 4.2Å; L535-L539 HydrophobicContact CG-CD1 4.02Å; L535-L539 HydrophobicContact CG-CG 4.47Å; L535-L539 WeakPolarHBondContact O-CB 3.49Å; L535-L539 VanDerWaalsContact O-CG 3.25Å; L535-L539 WeakPolarHBondContact O-CG 3.37Å; L535-L539 PolarHBondContact O-N 3.29Å; Y537-L539 PolarHBondContact O-N 3.32Å; L539-A542 PolarHBondContact O-N 3.12Å; L539-G543 PolarHBondContact O-N 3.4Å; L539-L544 HydrophobicContact CD2-CD1 3.64Å; L539-L544 WeakPolarHBondContact O-CB 3.37Å; L539-L544 PolarHBondContact O-N 2.63Å; L539-P546 HydrophobicContact CB-CG 3.76Å; L539-P546 HydrophobicContact CD1-CB 4.21Å; L539-P546 HydrophobicContact CD1-CG 3.97Å |
| 540 | R | 86 | Confident | 87.1 | Confident | 96 Ų | 96 | 29.5 Ų | 29.5 | 36% | 0.362 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -67.2 | -42.3 | 177.1 | -77 | -175.1 | 170.9 | -153.5 | -3 | 111.9 | L536 Y537 G538 A542 G543 G615 L616 | L536-R540 HydrophobicContact CD1-CG 4.49Å; L536-R540 WeakPolarHBondContact O-CG 3.46Å; L536-R540 PolarHBondContact O-N 3.14Å; L536-R540 VanDerWaalsContact O-N 3.1Å; Y537-R540 PolarHBondContact O-N 3.06Å; G538-R540 PolarHBondContact O-N 3.36Å; R540-A542 VanDerWaalsContact C-N 3.29Å; R540-A542 PolarHBondContact O-N 3.02Å; R540-G543 PolarHBondContact O-N 3.01Å; R540-G615 PolarHBondContact NH2-O 3.46Å; R540-L616 PolarHBondContact NH2-O 3.02Å |
| 541 | L | 82.9 | Confident | 87.1 | Confident | 63 Ų | 63 | 28.3 Ų | 28.3 | 33% | 0.33 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -63.8 | -35.5 | 175.8 | -71.1 | 164.7 | 0 | 0 | 0 | 112 | A365 R366 H369 Y537 G538 G543 | A365-L541 HydrophobicContact CB-CD1 3.94Å; R366-L541 HydrophobicContact CB-CD1 4.25Å; R366-L541 HydrophobicContact CG-CD1 3.6Å; R366-L541 HydrophobicContact CG-CD2 3.78Å; R366-L541 HydrophobicContact CG-CG 4.36Å; H369-L541 HydrophobicContact CB-CB 4.2Å; H369-L541 HydrophobicContact CB-CD1 4.3Å; H369-L541 PolarHBondContact NE2-O 3.28Å; Y537-L541 WeakPolarHBondContact O-CB 3.25Å; Y537-L541 VanDerWaalsContact O-CG 3.27Å; Y537-L541 WeakPolarHBondContact O-CG 3.47Å; Y537-L541 PolarHBondContact O-N 3.02Å; G538-L541 PolarHBondContact O-N 3.47Å; L541-G543 PolarHBondContact O-N 2.64Å |
| 542 | A | 81.1 | Confident | 87.2 | Confident | 23 Ų | 23 | 28.9 Ų | 28.9 | 19% | 0.19 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 0.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | I500 G538 L539 R540 L544 | I500-A542 HydrophobicContact CG2-CB 3.78Å; G538-A542 WeakPolarHBondContact O-CB 3.47Å; G538-A542 PolarHBondContact O-N 2.86Å; L539-A542 PolarHBondContact O-N 3.12Å; R540-A542 VanDerWaalsContact C-N 3.29Å; R540-A542 PolarHBondContact O-N 3.02Å; A542-L544 VanDerWaalsContact C-N 3.31Å; A542-L544 HydrophobicContact CB-CD1 4.34Å; A542-L544 HydrophobicContact CB-CG 4.32Å; A542-L544 PolarHBondContact O-N 2.81Å |
| 543 | G | 78.7 | Confident | 87.1 | Confident | 50 Ų | 50 | 29.3 Ų | 29.3 | 52% | 0.515 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 7.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L539 R540 L541 K545 | L539-G543 PolarHBondContact O-N 3.4Å; R540-G543 PolarHBondContact O-N 3.01Å; L541-G543 PolarHBondContact O-N 2.64Å; G543-K545 VanDerWaalsContact C-N 3.3Å; G543-K545 PolarHBondContact O-N 3.42Å |
| 544 | L | 81.4 | Confident | 87 | Confident | 18 Ų | 18 | 33.7 Ų | 33.7 | 9% | 0.094 | 17% | 0.172 | C | C | . | . | trans | -78 | -11.1 | -172.9 | -65.5 | 173.3 | 0 | 0 | 0 | 114.4 | I397 I500 W514 L517 L539 A542 | I397-L544 HydrophobicContact CD1-CB 3.96Å; I397-L544 HydrophobicContact CD1-CD1 3.93Å; I397-L544 HydrophobicContact CD1-CD2 4.42Å; I397-L544 HydrophobicContact CD1-CG 4.33Å; I500-L544 HydrophobicContact CD1-CD1 4.26Å; I500-L544 HydrophobicContact CG2-CD1 3.89Å; W514-L544 HydrophobicContact CH2-CD1 4.16Å; W514-L544 HydrophobicContact CH2-CD2 3.95Å; W514-L544 HydrophobicContact CH2-CG 4.25Å; W514-L544 HydrophobicContact CZ3-CD1 4.39Å; W514-L544 HydrophobicContact CZ3-CD2 3.97Å; L517-L544 HydrophobicContact CD2-CD1 3.81Å; L517-L544 HydrophobicContact CD2-CD2 3.92Å; L539-L544 HydrophobicContact CD2-CD1 3.64Å; L539-L544 WeakPolarHBondContact O-CB 3.37Å; L539-L544 PolarHBondContact O-N 2.63Å; A542-L544 VanDerWaalsContact C-N 3.31Å; A542-L544 HydrophobicContact CB-CD1 4.34Å; A542-L544 HydrophobicContact CB-CG 4.32Å; A542-L544 PolarHBondContact O-N 2.81Å | ||
| 545 | K | 79.5 | Confident | 87.1 | Confident | 136 Ų | 136 | 35.9 Ų | 35.9 | 59% | 0.591 | 19% | 0.185 | S | C | * | . | trans | 39 | 57.9 | 177.5 | -63.6 | 179.9 | -178.8 | 174 | 0 | 113.2 | P394 G543 | P394-K545 HydrophobicContact CB-CB 4.21Å; P394-K545 HydrophobicContact CG-CB 4.3Å; G543-K545 VanDerWaalsContact C-N 3.3Å; G543-K545 PolarHBondContact O-N 3.42Å | ||
| 546 | P | 88.2 | Confident | 87 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.032 | 20% | 0.195 | C | C | . | . | trans | -65.9 | 150 | -178.7 | 31.9 | -38.2 | 0 | 0 | 0 | 110.8 | I397 A399 L536 L539 | I397-P546 HydrophobicContact CB-CB 3.97Å; I397-P546 HydrophobicContact CG2-CB 3.92Å; I397-P546 WeakPolarHBondContact O-CA 3.27Å; A399-P546 HydrophobicContact CB-CB 4.13Å; L536-P546 HydrophobicContact CD1-CG 3.84Å; L539-P546 HydrophobicContact CB-CG 3.76Å; L539-P546 HydrophobicContact CD1-CB 4.21Å; L539-P546 HydrophobicContact CD1-CG 3.97Å | ||
| 547 | R | 87.5 | Confident | 86.8 | Confident | 104 Ų | 104 | 42.6 Ų | 42.6 | 39% | 0.392 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 128.4 | 163.3 | -71.8 | 176.3 | 174.8 | -112.6 | -8.9 | 108.4 | I397 L398 A399 D618 Y640 | I397-R547 PolarHBondContact O-N 3.17Å; L398-R547 CarbonylContact C-O 3.55Å; L398-R547 WeakPolarHBondContact CA-O 3.44Å; L398-R547 HydrophobicContact CD1-CB 4.14Å; A399-R547 PolarHBondContact N-O 3.26Å; R547-D618 VanDerWaalsContact CA-OD2 3.25Å; R547-D618 WeakPolarHBondContact CA-OD2 3.35Å; R547-Y640 VanDerWaalsContact CZ-CD2 3.45Å; R547-Y640 PolarHBondContact NE-OH 3.07Å; R547-Y640 PolarHBondContact NH2-OH 3.47Å |
| 548 | S | 91.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.3 | -170.5 | 60.3 | 0 | 0 | 0 | 0 | 112.2 | A399 L536 L616 D618 | A399-S548 VanDerWaalsContact O-CA 3.31Å; A399-S548 WeakPolarHBondContact O-CA 3.4Å; L536-S548 VanDerWaalsContact CD1-CB 3.49Å; S548-L616 PolarHBondContact OG-O 3.03Å; S548-D618 PolarHBondContact N-OD2 3.37Å; S548-D618 PolarHBondContact O-N 3.33Å |
| 549 | I | 92.2 | Very high | 86.9 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 122.1 | 178.5 | -59.7 | 173.5 | 0 | 0 | 0 | 107 | L398 A399 I401 A619 L621 L633 L636 | L398-I549 HydrophobicContact CD1-CD1 3.74Å; L398-I549 HydrophobicContact CD1-CG1 4.21Å; A399-I549 PolarHBondContact O-N 3.28Å; I401-I549 PolarHBondContact N-O 3.25Å; I549-A619 WeakPolarHBondContact CA-O 2.96Å; I549-A619 HydrophobicContact CG1-CB 4.44Å; I549-A619 HydrophobicContact CG2-CB 4.37Å; I549-L621 HydrophobicContact CG2-CD1 3.86Å; I549-L621 HydrophobicContact CG2-CG 3.96Å; I549-L633 HydrophobicContact CB-CD1 4.49Å; I549-L633 HydrophobicContact CD1-CD1 3.25Å; I549-L633 HydrophobicContact CG1-CD1 4.43Å; I549-L633 HydrophobicContact CG2-CD1 4.13Å; I549-L636 HydrophobicContact CD1-CD2 3.44Å; I549-L636 VanDerWaalsContact CD1-CD2 3.44Å; I549-L636 HydrophobicContact CG1-CD2 3.95Å |
| 550 | L | 93.1 | Very high | 86.8 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 122.6 | 177.7 | 176.4 | 59.9 | 0 | 0 | 0 | 109.8 | I401 L552 Y606 H610 F617 A619 V620 L621 | I401-L550 HydrophobicContact CG2-CD1 4.35Å; I401-L550 CarbonylContact O-C 3.34Å; I401-L550 WeakPolarHBondContact O-CA 3.4Å; L550-L552 HydrophobicContact CD1-CD2 4.07Å; L550-L552 HydrophobicContact CD1-CG 4.25Å; L550-L552 HydrophobicContact CD2-CD1 4.03Å; L550-L552 HydrophobicContact CD2-CG 4.27Å; L550-L552 HydrophobicContact CG-CD1 4.32Å; L550-L552 HydrophobicContact CG-CD2 4.37Å; L550-L552 HydrophobicContact CG-CG 4.02Å; L550-Y606 HydrophobicContact CD1-CD1 3.47Å; L550-Y606 VanDerWaalsContact CD1-CD1 3.47Å; L550-Y606 HydrophobicContact CD1-CE1 3.77Å; L550-H610 HydrophobicContact CD2-CB 4.46Å; L550-F617 HydrophobicContact CB-CB 4.23Å; L550-F617 HydrophobicContact CB-CD1 3.73Å; L550-F617 HydrophobicContact CB-CD2 4.23Å; L550-F617 HydrophobicContact CB-CE1 4.11Å; L550-F617 HydrophobicContact CB-CG 3.79Å; L550-F617 HydrophobicContact CD1-CE1 4.38Å; L550-F617 HydrophobicContact CD1-CZ 4.43Å; L550-F617 HydrophobicContact CD2-CD2 3.93Å; L550-F617 HydrophobicContact CD2-CE2 3.83Å; L550-F617 HydrophobicContact CD2-CG 4.35Å; L550-F617 HydrophobicContact CD2-CZ 4.16Å; L550-A619 PolarHBondContact N-O 2.59Å; L550-V620 HydrophobicContact CB-CG1 4.35Å; L550-V620 HydrophobicContact CB-CG2 4.21Å; L550-V620 HydrophobicContact CD2-CG1 4.19Å; L550-V620 HydrophobicContact CD2-CG2 4.27Å; L550-V620 HydrophobicContact CG-CG1 4.25Å; L550-V620 CarbonylContact O-C 3.17Å; L550-V620 WeakPolarHBondContact O-CA 3.44Å; L550-L621 PolarHBondContact O-N 3.07Å |
| 551 | C | 92.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 127.1 | 172 | -60.5 | 0 | 0 | 0 | 0 | 109.7 | I401 G402 P403 I406 L621 | I401-C551 PolarHBondContact O-N 2.69Å; G402-C551 WeakPolarHBondContact CA-O 3.38Å; P403-C551 WeakPolarHBondContact CD-O 3.19Å; I406-C551 HydrophobicContact CD1-CB 4.42Å; I406-C551 WeakPolarHBondContact CD1-O 3.49Å; I406-C551 HydrophobicContact CG2-CB 4.24Å; C551-L621 WeakPolarHBondContact CA-O 3.49Å |
| 552 | L | 91.2 | Very high | 86.7 | Confident | 25 Ų | 25 | 49.5 Ų | 49.5 | 13% | 0.131 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 150 | 176.6 | -65.2 | 176 | 0 | 0 | 0 | 110.6 | L550 Y606 V620 L621 S622 S623 | L550-L552 HydrophobicContact CD1-CD2 4.07Å; L550-L552 HydrophobicContact CD1-CG 4.25Å; L550-L552 HydrophobicContact CD2-CD1 4.03Å; L550-L552 HydrophobicContact CD2-CG 4.27Å; L550-L552 HydrophobicContact CG-CD1 4.32Å; L550-L552 HydrophobicContact CG-CD2 4.37Å; L550-L552 HydrophobicContact CG-CG 4.02Å; L552-Y606 HydrophobicContact CD2-CD1 4.09Å; L552-Y606 HydrophobicContact CD2-CG 3.9Å; L552-V620 HydrophobicContact CD1-CG1 4.44Å; L552-L621 PolarHBondContact N-O 3.05Å; L552-S622 VanDerWaalsContact O-CA 3.31Å; L552-S622 WeakPolarHBondContact O-CA 3.44Å; L552-S623 PolarHBondContact O-N 3.22Å |
| 553 | P | 89.3 | Confident | 86.8 | Confident | 18 Ų | 18 | 48.4 Ų | 48.4 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | trans | -72.7 | 150.9 | 171.1 | 33.1 | -32.1 | 0 | 0 | 0 | 110 | Y559 T602 | P553-Y559 HydrophobicContact CB-CD2 4.07Å; P553-Y559 HydrophobicContact CB-CG 4Å; P553-Y559 HydrophobicContact CG-CD1 4.03Å; P553-Y559 HydrophobicContact CG-CD2 3.92Å; P553-Y559 HydrophobicContact CG-CG 3.68Å; P553-T602 HydrophobicContact CG-CG2 3.67Å | ||
| 554 | N | 86.6 | Confident | 86.9 | Confident | 93 Ų | 93 | 49.5 Ų | 49.5 | 50% | 0.497 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -82.1 | -40.8 | 172.2 | -81.5 | -12.2 | 0 | 0 | 0 | 111 | S622 S623 D624 | N554-S622 PolarHBondContact ND2-O 3.24Å; N554-S622 WeakPolarHBondContact OD1-CB 3.34Å; N554-S622 PolarHBondContact OD1-O 3Å; N554-S622 PolarHBondContact OD1-OG 3.44Å; N554-S622 VanDerWaalsContact OD1-OG 3.1Å; N554-S623 WeakPolarHBondContact ND2-CA 3.45Å; N554-D624 PolarHBondContact N-OD1 2.69Å |
| 555 | N | 88.2 | Confident | 86.7 | Confident | 78 Ų | 78 | 52.6 Ų | 52.6 | 42% | 0.417 | 25% | 0.247 | S | C | . | . | trans | -112.6 | 107.8 | -177 | -171.4 | -35.1 | 0 | 0 | 0 | 111.7 | H557 H558 Y559 D624 | N555-H557 VanDerWaalsContact C-N 3.26Å; N555-H557 PolarHBondContact O-N 2.95Å; N555-H557 WeakPolarHBondContact OD1-CA 3.4Å; N555-H557 WeakPolarHBondContact OD1-CB 3.41Å; N555-H557 PolarHBondContact OD1-N 2.88Å; N555-H558 HydrophobicContact CB-CB 3.98Å; N555-H558 PolarHBondContact O-N 3.5Å; N555-H558 PolarHBondContact OD1-N 2.92Å; N555-H558 VanDerWaalsContact OD1-N 3.14Å; N555-Y559 WeakPolarHBondContact O-CB 3.47Å; N555-Y559 PolarHBondContact O-N 2.74Å; N555-D624 WeakPolarHBondContact CB-OD2 3.47Å; N555-D624 PolarHBondContact N-OD1 3.39Å; N555-D624 PolarHBondContact N-OD2 2.91Å; N555-D624 VanDerWaalsContact N-OD2 3.08Å | ||
| 556 | L | 86.5 | Confident | 86.4 | Confident | 58 Ų | 58 | 47 Ų | 47 | 30% | 0.304 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.1 | -33.2 | 179 | -69 | 173 | 0 | 0 | 0 | 113.5 | Y559 E560 T602 D603 | L556-Y559 PolarHBondContact O-N 3.08Å; L556-E560 WeakPolarHBondContact O-CB 3.37Å; L556-E560 PolarHBondContact O-N 3.26Å; L556-T602 HydrophobicContact CD2-CG2 3.93Å; L556-D603 HydrophobicContact CD1-CB 3.82Å; L556-D603 VanDerWaalsContact CD1-OD1 3.26Å; L556-D603 WeakPolarHBondContact CD1-OD1 3.45Å; L556-D603 HydrophobicContact CD2-CB 4.27Å |
| 557 | H | 86.5 | Confident | 85.6 | Confident | 100 Ų | 100 | 46.9 Ų | 46.9 | 46% | 0.463 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -73.6 | -36.4 | 179.7 | -168.6 | 66.5 | 0 | 0 | 0 | 111.8 | N555 E560 R561 | N555-H557 VanDerWaalsContact C-N 3.26Å; N555-H557 PolarHBondContact O-N 2.95Å; N555-H557 WeakPolarHBondContact OD1-CA 3.4Å; N555-H557 WeakPolarHBondContact OD1-CB 3.41Å; N555-H557 PolarHBondContact OD1-N 2.88Å; H557-E560 IonicContact ND1-OE2 3.96Å; H557-R561 PolarHBondContact CD2-NH2 2.97Å; H557-R561 PolarHBondContact NE2-NH2 3.13Å; H557-R561 PolarHBondContact O-N 2.81Å |
| 558 | H | 86.3 | Confident | 84.7 | Confident | 85 Ų | 85 | 44.1 Ų | 44.1 | 39% | 0.394 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.4 | -46.7 | 169.7 | -179.5 | 74.4 | 0 | 0 | 0 | 110.6 | N555 E560 R561 V562 | N555-H558 HydrophobicContact CB-CB 3.98Å; N555-H558 PolarHBondContact O-N 3.5Å; N555-H558 PolarHBondContact OD1-N 2.92Å; N555-H558 VanDerWaalsContact OD1-N 3.14Å; H558-E560 VanDerWaalsContact C-N 3.34Å; H558-E560 PolarHBondContact O-N 2.95Å; H558-R561 WeakPolarHBondContact O-CB 3.32Å; H558-R561 PolarHBondContact O-N 2.92Å; H558-R561 VanDerWaalsContact O-N 3.13Å; H558-V562 WeakPolarHBondContact O-CG2 3.32Å; H558-V562 PolarHBondContact O-N 3.03Å; H558-V562 VanDerWaalsContact O-N 3.13Å |
| 559 | Y | 86.7 | Confident | 83.4 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.3 | -42.3 | 178.1 | 176.5 | -114.7 | 0 | 0 | 0 | 112.9 | P403 V404 I406 P553 N555 L556 R561 V562 I563 T602 | P403-Y559 VanDerWaalsContact CB-OH 3.25Å; P403-Y559 WeakPolarHBondContact CB-OH 3.15Å; P403-Y559 HydrophobicContact CG-CE2 4.23Å; V404-Y559 WeakPolarHBondContact O-CE2 3.39Å; V404-Y559 PolarHBondContact O-OH 2.83Å; I406-Y559 HydrophobicContact CG1-CE2 4.36Å; P553-Y559 HydrophobicContact CB-CD2 4.07Å; P553-Y559 HydrophobicContact CB-CG 4Å; P553-Y559 HydrophobicContact CG-CD1 4.03Å; P553-Y559 HydrophobicContact CG-CD2 3.92Å; P553-Y559 HydrophobicContact CG-CG 3.68Å; N555-Y559 WeakPolarHBondContact O-CB 3.47Å; N555-Y559 PolarHBondContact O-N 2.74Å; L556-Y559 PolarHBondContact O-N 3.08Å; Y559-R561 VanDerWaalsContact C-N 3.33Å; Y559-R561 PolarHBondContact O-N 3.33Å; Y559-V562 WeakPolarHBondContact O-CB 3.34Å; Y559-V562 PolarHBondContact O-N 2.95Å; Y559-V562 VanDerWaalsContact O-N 3.13Å; Y559-I563 HydrophobicContact CD1-CD1 3.54Å; Y559-I563 HydrophobicContact CD1-CG1 4.33Å; Y559-I563 HydrophobicContact CD2-CD1 4.31Å; Y559-I563 HydrophobicContact CD2-CG1 4.24Å; Y559-I563 HydrophobicContact CE1-CD1 3.02Å; Y559-I563 HydrophobicContact CE1-CG1 3.88Å; Y559-I563 HydrophobicContact CE2-CD1 3.89Å; Y559-I563 HydrophobicContact CE2-CG1 3.75Å; Y559-I563 HydrophobicContact CG-CD1 4.13Å; Y559-I563 HydrophobicContact CG-CG1 4.47Å; Y559-I563 WeakPolarHBondContact O-CG1 3.25Å; Y559-I563 PolarHBondContact O-N 3.5Å; Y559-I563 WeakPolarHBondContact OH-CD1 3.42Å; Y559-T602 HydrophobicContact CD1-CG2 4.23Å; Y559-T602 HydrophobicContact CE1-CG2 3.93Å; Y559-T602 WeakPolarHBondContact CE1-OG1 3.29Å; Y559-T602 PolarHBondContact OH-OG1 2.86Å |
| 560 | E | 86.7 | Confident | 82 | Confident | 47 Ų | 47 | 47.4 Ų | 47.4 | 22% | 0.22 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.1 | -46.8 | 173.7 | 172.2 | 176.6 | -174 | 0 | 0 | 111.7 | L556 H557 H558 V562 I563 R564 I595 I599 | L556-E560 WeakPolarHBondContact O-CB 3.37Å; L556-E560 PolarHBondContact O-N 3.26Å; H557-E560 IonicContact ND1-OE2 3.96Å; H558-E560 VanDerWaalsContact C-N 3.34Å; H558-E560 PolarHBondContact O-N 2.95Å; E560-V562 VanDerWaalsContact C-N 3.3Å; E560-V562 PolarHBondContact O-N 3.46Å; E560-I563 PolarHBondContact O-N 2.92Å; E560-R564 HydrophobicContact CG-CG 4.38Å; E560-R564 WeakPolarHBondContact O-CB 3.48Å; E560-R564 VanDerWaalsContact O-CG 3.27Å; E560-R564 WeakPolarHBondContact O-CG 3.14Å; E560-R564 PolarHBondContact O-N 3.49Å; E560-R564 IonicContact OE1-CZ 2.68Å; E560-R564 VanDerWaalsContact OE1-CZ 3.26Å; E560-R564 IonicContact OE1-NE 3.28Å; E560-R564 PolarHBondContact OE1-NE 3.37Å; E560-R564 IonicContact OE1-NH2 3.32Å; E560-R564 PolarHBondContact OE1-NH2 2.91Å; E560-I595 HydrophobicContact CG-CG2 4.37Å; E560-I599 HydrophobicContact CB-CD1 3.86Å; E560-I599 HydrophobicContact CB-CG1 4.45Å; E560-I599 HydrophobicContact CG-CD1 3.73Å |
| 561 | R | 83.8 | Confident | 80.5 | Confident | 151 Ų | 151 | 48.7 Ų | 48.7 | 57% | 0.57 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.1 | -41.1 | 177.6 | -64.5 | 176.9 | -168.1 | 171.3 | 0.9 | 111.4 | H557 H558 Y559 R564 V565 | H557-R561 PolarHBondContact CD2-NH2 2.97Å; H557-R561 PolarHBondContact NE2-NH2 3.13Å; H557-R561 PolarHBondContact O-N 2.81Å; H558-R561 WeakPolarHBondContact O-CB 3.32Å; H558-R561 PolarHBondContact O-N 2.92Å; H558-R561 VanDerWaalsContact O-N 3.13Å; Y559-R561 VanDerWaalsContact C-N 3.33Å; Y559-R561 PolarHBondContact O-N 3.33Å; R561-R564 PolarHBondContact O-N 3.48Å; R561-V565 WeakPolarHBondContact O-CG2 3.14Å; R561-V565 PolarHBondContact O-N 3.46Å; R561-V565 VanDerWaalsContact O-N 3.15Å |
| 562 | V | 83.3 | Confident | 78.5 | Confident | 40 Ų | 40 | 49.5 Ų | 49.5 | 24% | 0.242 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.4 | -43 | 178.2 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | G405 H558 Y559 E560 S566 | G405-V562 WeakPolarHBondContact O-CG1 3.33Å; H558-V562 WeakPolarHBondContact O-CG2 3.32Å; H558-V562 PolarHBondContact O-N 3.03Å; H558-V562 VanDerWaalsContact O-N 3.13Å; Y559-V562 WeakPolarHBondContact O-CB 3.34Å; Y559-V562 PolarHBondContact O-N 2.95Å; Y559-V562 VanDerWaalsContact O-N 3.13Å; E560-V562 VanDerWaalsContact C-N 3.3Å; E560-V562 PolarHBondContact O-N 3.46Å; V562-S566 WeakPolarHBondContact O-CB 3.49Å; V562-S566 PolarHBondContact O-N 2.8Å; V562-S566 PolarHBondContact O-OG 3.07Å |
| 563 | I | 82.8 | Confident | 76.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.9 | -47 | 175.8 | -64.9 | 161.6 | 0 | 0 | 0 | 110.6 | Y559 E560 V565 S566 I567 I595 I599 | Y559-I563 HydrophobicContact CD1-CD1 3.54Å; Y559-I563 HydrophobicContact CD1-CG1 4.33Å; Y559-I563 HydrophobicContact CD2-CD1 4.31Å; Y559-I563 HydrophobicContact CD2-CG1 4.24Å; Y559-I563 HydrophobicContact CE1-CD1 3.02Å; Y559-I563 HydrophobicContact CE1-CG1 3.88Å; Y559-I563 HydrophobicContact CE2-CD1 3.89Å; Y559-I563 HydrophobicContact CE2-CG1 3.75Å; Y559-I563 HydrophobicContact CG-CD1 4.13Å; Y559-I563 HydrophobicContact CG-CG1 4.47Å; Y559-I563 WeakPolarHBondContact O-CG1 3.25Å; Y559-I563 PolarHBondContact O-N 3.5Å; Y559-I563 WeakPolarHBondContact OH-CD1 3.42Å; E560-I563 PolarHBondContact O-N 2.92Å; I563-V565 VanDerWaalsContact C-N 3.28Å; I563-V565 PolarHBondContact O-N 3.25Å; I563-S566 CarbonylContact O-C 3.6Å; I563-S566 WeakPolarHBondContact O-CA 3.21Å; I563-S566 WeakPolarHBondContact O-CB 3.32Å; I563-S566 PolarHBondContact O-N 3.08Å; I563-I567 HydrophobicContact CG2-CD1 3.43Å; I563-I567 VanDerWaalsContact CG2-CD1 3.43Å; I563-I567 HydrophobicContact CG2-CG1 3.94Å; I563-I567 PolarHBondContact O-N 3.11Å; I563-I595 HydrophobicContact CG2-CG1 4.33Å; I563-I599 HydrophobicContact CD1-CG1 4.36Å |
| 564 | R | 81.5 | Confident | 74.7 | Confident | 72 Ų | 72 | 54 Ų | 54 | 27% | 0.272 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -53.1 | -47.4 | 179.6 | -79.5 | 174.5 | 178 | -69 | -7.9 | 111.1 | E560 R561 S568 E592 I595 | E560-R564 HydrophobicContact CG-CG 4.38Å; E560-R564 WeakPolarHBondContact O-CB 3.48Å; E560-R564 VanDerWaalsContact O-CG 3.27Å; E560-R564 WeakPolarHBondContact O-CG 3.14Å; E560-R564 PolarHBondContact O-N 3.49Å; E560-R564 IonicContact OE1-CZ 2.68Å; E560-R564 VanDerWaalsContact OE1-CZ 3.26Å; E560-R564 IonicContact OE1-NE 3.28Å; E560-R564 PolarHBondContact OE1-NE 3.37Å; E560-R564 IonicContact OE1-NH2 3.32Å; E560-R564 PolarHBondContact OE1-NH2 2.91Å; R561-R564 PolarHBondContact O-N 3.48Å; R564-S568 VanDerWaalsContact O-CB 3.31Å; R564-S568 WeakPolarHBondContact O-CB 3.12Å; R564-S568 PolarHBondContact O-N 3.1Å; R564-S568 PolarHBondContact O-OG 2.95Å; R564-E592 IonicContact CZ-OE1 3.91Å; R564-E592 IonicContact CZ-OE2 3.75Å; R564-E592 IonicContact NH1-OE1 3.75Å; R564-E592 PolarHBondContact NH1-OE1 2.91Å; R564-E592 IonicContact NH1-OE2 2.89Å; R564-E592 IonicContact NH2-OE1 3.09Å; R564-E592 PolarHBondContact NH2-OE1 2.73Å; R564-E592 IonicContact NH2-OE2 2.84Å; R564-E592 PolarHBondContact NH2-OE2 2.81Å; R564-I595 HydrophobicContact CG-CD1 3.62Å; R564-I595 HydrophobicContact CG-CG1 4.21Å; R564-I595 HydrophobicContact CG-CG2 4.34Å |
| 565 | V | 76.4 | Confident | 72.7 | Confident | 84 Ų | 84 | 52.5 Ų | 52.5 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 174.7 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | R561 I563 I567 S568 Q569 | R561-V565 WeakPolarHBondContact O-CG2 3.14Å; R561-V565 PolarHBondContact O-N 3.46Å; R561-V565 VanDerWaalsContact O-N 3.15Å; I563-V565 VanDerWaalsContact C-N 3.28Å; I563-V565 PolarHBondContact O-N 3.25Å; V565-I567 PolarHBondContact O-N 2.73Å; V565-S568 PolarHBondContact O-N 3.37Å; V565-Q569 VanDerWaalsContact O-CG 3.27Å; V565-Q569 WeakPolarHBondContact O-CG 3.36Å; V565-Q569 PolarHBondContact O-N 2.99Å |
| 566 | S | 73.6 | Confident | 70.7 | Confident | 19 Ų | 19 | 51.4 Ų | 51.4 | 13% | 0.133 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | -178.4 | -63 | 0 | 0 | 0 | 0 | 113.3 | V562 I563 I570 | V562-S566 WeakPolarHBondContact O-CB 3.49Å; V562-S566 PolarHBondContact O-N 2.8Å; V562-S566 PolarHBondContact O-OG 3.07Å; I563-S566 CarbonylContact O-C 3.6Å; I563-S566 WeakPolarHBondContact O-CA 3.21Å; I563-S566 WeakPolarHBondContact O-CB 3.32Å; I563-S566 PolarHBondContact O-N 3.08Å; S566-I570 WeakPolarHBondContact O-CD1 3.48Å; S566-I570 WeakPolarHBondContact O-CG1 3.29Å; S566-I570 PolarHBondContact O-N 2.82Å |
| 567 | I | 72.2 | Confident | 68.4 | Low | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.5 | -43.7 | 178.2 | -68.6 | 175.4 | 0 | 0 | 0 | 110.5 | M506 I563 V565 Q569 I570 H571 T591 W594 I595 Y598 | M506-I567 HydrophobicContact CE-CD1 4.05Å; M506-I567 HydrophobicContact CE-CG1 3.63Å; M506-I567 HydrophobicContact SD-CG1 4.22Å; I563-I567 HydrophobicContact CG2-CD1 3.43Å; I563-I567 VanDerWaalsContact CG2-CD1 3.43Å; I563-I567 HydrophobicContact CG2-CG1 3.94Å; I563-I567 PolarHBondContact O-N 3.11Å; V565-I567 PolarHBondContact O-N 2.73Å; I567-Q569 VanDerWaalsContact C-N 3.26Å; I567-Q569 PolarHBondContact O-N 2.97Å; I567-I570 PolarHBondContact O-N 2.77Å; I567-H571 PolarHBondContact O-N 3Å; I567-T591 HydrophobicContact CG2-CG2 3.71Å; I567-W594 HydrophobicContact CD1-CB 4.21Å; I567-W594 HydrophobicContact CG2-CE3 4.36Å; I567-I595 HydrophobicContact CD1-CG1 3.77Å; I567-Y598 HydrophobicContact CD1-CD2 4.35Å |
| 568 | S | 68 | Low | 66 | Low | 47 Ų | 47 | 54.2 Ų | 54.2 | 33% | 0.329 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.4 | -41.5 | 177.4 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | R564 V565 I570 H571 C572 | R564-S568 VanDerWaalsContact O-CB 3.31Å; R564-S568 WeakPolarHBondContact O-CB 3.12Å; R564-S568 PolarHBondContact O-N 3.1Å; R564-S568 PolarHBondContact O-OG 2.95Å; V565-S568 PolarHBondContact O-N 3.37Å; S568-I570 VanDerWaalsContact C-N 3.31Å; S568-I570 PolarHBondContact O-N 2.77Å; S568-H571 PolarHBondContact O-N 3.02Å; S568-C572 WeakPolarHBondContact O-CB 3.34Å; S568-C572 PolarHBondContact O-N 2.89Å; S568-C572 PolarHBondContact O-SG 3.29Å |
| 569 | Q | 64.9 | Low | 63.6 | Low | 54 Ų | 54 | 54.7 Ų | 54.7 | 25% | 0.252 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.5 | -35.9 | 174.8 | -74.5 | 173.1 | 0.1 | 0 | 0 | 113.3 | V565 I567 T573 | V565-Q569 VanDerWaalsContact O-CG 3.27Å; V565-Q569 WeakPolarHBondContact O-CG 3.36Å; V565-Q569 PolarHBondContact O-N 2.99Å; I567-Q569 VanDerWaalsContact C-N 3.26Å; I567-Q569 PolarHBondContact O-N 2.97Å; Q569-T573 PolarHBondContact O-N 2.87Å |
| 570 | I | 63.1 | Low | 61.1 | Low | 17 Ų | 17 | 59.2 Ų | 59.2 | 9% | 0.087 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -75.3 | -41.2 | -178.6 | -67.1 | 164.8 | 0 | 0 | 0 | 110.6 | M506 Y508 S566 I567 S568 C572 T573 Q574 | M506-I570 HydrophobicContact SD-CD1 3.59Å; M506-I570 VanDerWaalsContact SD-CD1 3.59Å; Y508-I570 HydrophobicContact CE2-CG2 3.67Å; S566-I570 WeakPolarHBondContact O-CD1 3.48Å; S566-I570 WeakPolarHBondContact O-CG1 3.29Å; S566-I570 PolarHBondContact O-N 2.82Å; I567-I570 PolarHBondContact O-N 2.77Å; S568-I570 VanDerWaalsContact C-N 3.31Å; S568-I570 PolarHBondContact O-N 2.77Å; I570-C572 VanDerWaalsContact C-N 3.31Å; I570-C572 PolarHBondContact O-N 3.34Å; I570-T573 PolarHBondContact O-N 3.28Å; I570-T573 VanDerWaalsContact O-N 3.16Å; I570-T573 PolarHBondContact O-OG1 2.99Å; I570-Q574 PolarHBondContact O-N 3.38Å |
| 571 | H | 61 | Low | 58.7 | Low | 28 Ų | 28 | 62.9 Ų | 62.9 | 13% | 0.13 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.4 | -37 | 174.2 | -79.1 | -60.7 | 0 | 0 | 0 | 112.4 | I567 S568 T573 Q574 S575 T591 W594 | I567-H571 PolarHBondContact O-N 3Å; S568-H571 PolarHBondContact O-N 3.02Å; H571-T573 PolarHBondContact O-N 2.79Å; H571-Q574 PolarHBondContact ND1-OE1 3.1Å; H571-Q574 WeakPolarHBondContact O-CB 3.43Å; H571-Q574 PolarHBondContact O-N 2.58Å; H571-S575 PolarHBondContact O-N 3.15Å; H571-S575 PolarHBondContact O-OG 3.19Å; H571-T591 PolarHBondContact CD2-OG1 3.49Å; H571-T591 PolarHBondContact NE2-OG1 3.1Å; H571-W594 AromaticContact CE1-CH2 3.91Å; H571-W594 AromaticContact CE1-CZ3 3.32Å; H571-W594 WeakPolarHBondContact CE1-CZ3 3.24Å; H571-W594 AromaticContact NE2-CE3 3.64Å; H571-W594 AromaticContact NE2-CZ3 3.18Å; H571-W594 WeakPolarHBondContact NE2-CZ3 3.28Å |
| 572 | C | 50.3 | Low | 56.4 | Low | 18 Ų | 18 | 62.4 Ų | 62.4 | 12% | 0.122 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.6 | -32.4 | 173.1 | -76.3 | 0 | 0 | 0 | 0 | 112.9 | L439 F443 S568 I570 Q574 | L439-C572 HydrophobicContact CB-CB 4.32Å; L439-C572 HydrophobicContact CD1-CB 3.62Å; L439-C572 WeakPolarHBondContact CD1-O 3.42Å; L439-C572 HydrophobicContact CG-CB 4.47Å; F443-C572 WeakPolarHBondContact CE2-SG 3.41Å; S568-C572 WeakPolarHBondContact O-CB 3.34Å; S568-C572 PolarHBondContact O-N 2.89Å; S568-C572 PolarHBondContact O-SG 3.29Å; I570-C572 VanDerWaalsContact C-N 3.31Å; I570-C572 PolarHBondContact O-N 3.34Å; C572-Q574 VanDerWaalsContact C-N 3.32Å |
| 573 | T | 49.8 | Very low | 54.3 | Low | 30 Ų | 30 | 65.7 Ų | 65.7 | 18% | 0.184 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -75 | -17.9 | 174.6 | 55 | 0 | 0 | 0 | 0 | 114 | Q569 I570 H571 | Q569-T573 PolarHBondContact O-N 2.87Å; I570-T573 PolarHBondContact O-N 3.28Å; I570-T573 VanDerWaalsContact O-N 3.16Å; I570-T573 PolarHBondContact O-OG1 2.99Å; H571-T573 PolarHBondContact O-N 2.79Å |
| 574 | Q | 50.8 | Low | 52.2 | Low | 107 Ų | 107 | 68.9 Ų | 68.9 | 50% | 0.5 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -77 | -43.1 | 176.9 | -68.3 | 178.5 | -35.5 | 0 | 0 | 112 | Y508 I570 H571 C572 G576 | Y508-Q574 WeakPolarHBondContact OH-CG 3.3Å; Y508-Q574 PolarHBondContact OH-NE2 3.42Å; I570-Q574 PolarHBondContact O-N 3.38Å; H571-Q574 PolarHBondContact ND1-OE1 3.1Å; H571-Q574 WeakPolarHBondContact O-CB 3.43Å; H571-Q574 PolarHBondContact O-N 2.58Å; C572-Q574 VanDerWaalsContact C-N 3.32Å; Q574-G576 VanDerWaalsContact C-N 3.3Å; Q574-G576 PolarHBondContact O-N 3.22Å |
| 575 | S | 44.6 | Very low | 50.2 | Low | 61 Ų | 61 | 72.4 Ų | 72.4 | 43% | 0.427 | 42% | 0.416 | S | S | . | . | trans | -82.8 | 76.4 | -178.9 | 48.1 | 0 | 0 | 0 | 0 | 109.4 | H571 L577 | H571-S575 PolarHBondContact O-N 3.15Å; H571-S575 PolarHBondContact O-OG 3.19Å; S575-L577 PolarHBondContact O-N 3.34Å | ||
| 576 | G | 45.6 | Very low | 48.7 | Very low | 56 Ų | 56 | 72.4 Ų | 72.4 | 58% | 0.577 | 42% | 0.416 | S | S | * | . | trans | -57.8 | 13.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q574 | Q574-G576 VanDerWaalsContact C-N 3.3Å; Q574-G576 PolarHBondContact O-N 3.22Å | ||
| 577 | L | 39.4 | Very low | 47.8 | Very low | 126 Ų | 126 | 72.8 Ų | 72.8 | 66% | 0.66 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -123.4 | 134.3 | -170.7 | -70.2 | 159.7 | 0 | 0 | 0 | 107.2 | S575 | S575-L577 PolarHBondContact O-N 3.34Š|
| 578 | S | 35.6 | Very low | 47.1 | Very low | 90 Ų | 90 | 77.6 Ų | 77.6 | 63% | 0.629 | 44% | 0.444 | S | S | * | . | trans | -46.7 | 140.7 | 166.8 | 49.7 | 0 | 0 | 0 | 0 | 110.5 | D580 | S578-D580 PolarHBondContact O-N 3.33Š| ||
| 579 | C | 36.4 | Very low | 46.6 | Very low | 95 Ų | 95 | 81.4 Ų | 81.4 | 64% | 0.642 | 46% | 0.457 | S | S | * | . | trans | -47.7 | 100.1 | 177.2 | -54.9 | 0 | 0 | 0 | 0 | 111.8 | L584 | C579-L584 HydrophobicContact CB-CD1 4.41Š| ||
| 580 | D | 33.8 | Very low | 46.7 | Very low | 100 Ų | 100 | 82.4 Ų | 82.4 | 54% | 0.535 | 46% | 0.464 | S | S | . | . | trans | -90.3 | 120.5 | 162.6 | -79.5 | -24.7 | 0 | 0 | 0 | 108 | S578 N582 I583 | S578-D580 PolarHBondContact O-N 3.33Å; D580-N582 VanDerWaalsContact C-N 3.27Å; D580-N582 PolarHBondContact O-N 3.43Å; D580-N582 VanDerWaalsContact O-N 3.17Å; D580-I583 HydrophobicContact CB-CD1 4.47Å; D580-I583 PolarHBondContact O-N 3.18Å; D580-I583 VanDerWaalsContact O-N 3.14Å | ||
| 581 | D | 35.4 | Very low | 47.1 | Very low | 125 Ų | 125 | 82.2 Ų | 82.2 | 67% | 0.668 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -58.7 | -31.5 | -169.2 | -68.5 | -34.7 | 0 | 0 | 0 | 114.2 | I583 L584 | D581-I583 VanDerWaalsContact C-N 3.31Å; D581-I583 PolarHBondContact O-N 3.49Å; D581-L584 WeakPolarHBondContact O-CB 3.43Å; D581-L584 PolarHBondContact O-N 3.19Å |
| 582 | N | 37.1 | Very low | 48 | Very low | 141 Ų | 141 | 84.4 Ų | 84.4 | 75% | 0.754 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -71.6 | -24 | -178.2 | -72.4 | -20.7 | 0 | 0 | 0 | 113.5 | D580 | D580-N582 VanDerWaalsContact C-N 3.27Å; D580-N582 PolarHBondContact O-N 3.43Å; D580-N582 VanDerWaalsContact O-N 3.17Å |
| 583 | I | 39.3 | Very low | 49.4 | Very low | 108 Ų | 108 | 89.4 Ų | 89.4 | 55% | 0.554 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -81.1 | -27.3 | 175 | -58.4 | 174.2 | 0 | 0 | 0 | 109.7 | D580 D581 T586 S587 | D580-I583 HydrophobicContact CB-CD1 4.47Å; D580-I583 PolarHBondContact O-N 3.18Å; D580-I583 VanDerWaalsContact O-N 3.14Å; D581-I583 VanDerWaalsContact C-N 3.31Å; D581-I583 PolarHBondContact O-N 3.49Å; I583-T586 PolarHBondContact O-OG1 2.82Å; I583-S587 VanDerWaalsContact O-CB 3.26Å; I583-S587 WeakPolarHBondContact O-CB 3.5Å; I583-S587 PolarHBondContact O-N 2.99Å; I583-S587 PolarHBondContact O-OG 3.4Å |
| 584 | L | 37.7 | Very low | 50.6 | Low | 68 Ų | 68 | 92 Ų | 92 | 36% | 0.356 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 179.5 | -73.5 | 171.3 | 0 | 0 | 0 | 111.9 | C579 D581 T586 S587 L588 | C579-L584 HydrophobicContact CB-CD1 4.41Å; D581-L584 WeakPolarHBondContact O-CB 3.43Å; D581-L584 PolarHBondContact O-N 3.19Å; L584-T586 PolarHBondContact O-N 3.39Å; L584-S587 WeakPolarHBondContact CA-OG 3.29Å; L584-S587 CarbonylContact O-C 3.53Å; L584-S587 PolarHBondContact O-N 3.05Å; L584-S587 VanDerWaalsContact O-N 3.16Å; L584-S587 PolarHBondContact O-OG 3.43Å; L584-L588 WeakPolarHBondContact O-CB 3.15Å; L584-L588 WeakPolarHBondContact O-CG 3.46Å; L584-L588 PolarHBondContact O-N 3.46Å |
| 585 | E | 40.1 | Very low | 52.2 | Low | 145 Ų | 145 | 87 Ų | 87 | 68% | 0.678 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59 | -49 | -178.3 | -86.9 | -171.4 | 159.7 | 0 | 0 | 113.3 | S587 L588 E589 | E585-S587 VanDerWaalsContact C-N 3.3Å; E585-S587 PolarHBondContact O-N 3.1Å; E585-L588 PolarHBondContact O-N 3.43Å; E585-E589 PolarHBondContact O-N 2.93Å |
| 586 | T | 44.8 | Very low | 54.2 | Low | 84 Ų | 84 | 88.3 Ų | 88.3 | 52% | 0.515 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.7 | -33.1 | 177.5 | 47.4 | 0 | 0 | 0 | 0 | 112.2 | I583 L584 N590 | I583-T586 PolarHBondContact O-OG1 2.82Å; L584-T586 PolarHBondContact O-N 3.39Å; T586-N590 PolarHBondContact O-N 3.22Å; T586-N590 PolarHBondContact O-ND2 3.09Å |
| 587 | S | 53.8 | Low | 56 | Low | 28 Ų | 28 | 90.9 Ų | 90.9 | 20% | 0.196 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -68.6 | -36.2 | 172.8 | 79.9 | 0 | 0 | 0 | 0 | 112.4 | I583 L584 E585 N590 T591 | I583-S587 VanDerWaalsContact O-CB 3.26Å; I583-S587 WeakPolarHBondContact O-CB 3.5Å; I583-S587 PolarHBondContact O-N 2.99Å; I583-S587 PolarHBondContact O-OG 3.4Å; L584-S587 WeakPolarHBondContact CA-OG 3.29Å; L584-S587 CarbonylContact O-C 3.53Å; L584-S587 PolarHBondContact O-N 3.05Å; L584-S587 VanDerWaalsContact O-N 3.16Å; L584-S587 PolarHBondContact O-OG 3.43Å; E585-S587 VanDerWaalsContact C-N 3.3Å; E585-S587 PolarHBondContact O-N 3.1Å; S587-N590 PolarHBondContact O-N 2.85Å; S587-T591 VanDerWaalsContact O-CB 3.27Å; S587-T591 WeakPolarHBondContact O-CB 3.25Å; S587-T591 PolarHBondContact O-N 2.85Å; S587-T591 PolarHBondContact O-OG1 3.01Å |
| 588 | L | 57.2 | Low | 58.2 | Low | 102 Ų | 102 | 85.1 Ų | 85.1 | 53% | 0.534 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.5 | -46.2 | 179.6 | -76.2 | 166.2 | 0 | 0 | 0 | 111 | L584 E585 N590 T591 E592 | L584-L588 WeakPolarHBondContact O-CB 3.15Å; L584-L588 WeakPolarHBondContact O-CG 3.46Å; L584-L588 PolarHBondContact O-N 3.46Å; E585-L588 PolarHBondContact O-N 3.43Å; L588-N590 VanDerWaalsContact C-N 3.31Å; L588-N590 PolarHBondContact O-N 3.49Å; L588-T591 WeakPolarHBondContact O-CB 3.48Å; L588-T591 PolarHBondContact O-N 3.48Å; L588-T591 VanDerWaalsContact O-N 3.16Å; L588-E592 PolarHBondContact O-N 3.39Å |
| 589 | E | 59 | Low | 60.8 | Low | 126 Ų | 126 | 82.4 Ų | 82.4 | 59% | 0.589 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60.4 | -41.7 | 175.4 | -75.6 | -167.3 | 175.3 | 0 | 0 | 112.1 | E585 T591 K593 | E585-E589 PolarHBondContact O-N 2.93Å; E589-T591 VanDerWaalsContact C-N 3.34Å; E589-K593 WeakPolarHBondContact O-CG 3.31Å; E589-K593 PolarHBondContact O-N 2.75Å |
| 590 | N | 66.4 | Low | 63.2 | Low | 76 Ų | 76 | 83 Ų | 83 | 41% | 0.406 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.7 | -35 | 176.5 | -73.6 | -27.1 | 0 | 0 | 0 | 111.9 | T586 S587 L588 K593 W594 | T586-N590 PolarHBondContact O-N 3.22Å; T586-N590 PolarHBondContact O-ND2 3.09Å; S587-N590 PolarHBondContact O-N 2.85Å; L588-N590 VanDerWaalsContact C-N 3.31Å; L588-N590 PolarHBondContact O-N 3.49Å; N590-K593 PolarHBondContact O-N 3.4Å; N590-W594 PolarHBondContact O-N 2.88Å |
| 591 | T | 70.4 | Confident | 65.8 | Low | 13 Ų | 13 | 79 Ų | 79 | 8% | 0.08 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 174.2 | -63.6 | 0 | 0 | 0 | 0 | 110.8 | I567 H571 S587 L588 E589 K593 W594 I595 | I567-T591 HydrophobicContact CG2-CG2 3.71Å; H571-T591 PolarHBondContact CD2-OG1 3.49Å; H571-T591 PolarHBondContact NE2-OG1 3.1Å; S587-T591 VanDerWaalsContact O-CB 3.27Å; S587-T591 WeakPolarHBondContact O-CB 3.25Å; S587-T591 PolarHBondContact O-N 2.85Å; S587-T591 PolarHBondContact O-OG1 3.01Å; L588-T591 WeakPolarHBondContact O-CB 3.48Å; L588-T591 PolarHBondContact O-N 3.48Å; L588-T591 VanDerWaalsContact O-N 3.16Å; E589-T591 VanDerWaalsContact C-N 3.34Å; T591-K593 VanDerWaalsContact C-N 3.33Å; T591-K593 PolarHBondContact O-N 2.82Å; T591-W594 PolarHBondContact O-N 2.82Å; T591-I595 HydrophobicContact CG2-CD1 3.61Å; T591-I595 HydrophobicContact CG2-CG1 4.36Å; T591-I595 WeakPolarHBondContact O-CD1 3.38Å; T591-I595 VanDerWaalsContact O-CG1 3.26Å; T591-I595 WeakPolarHBondContact O-CG1 3.41Å; T591-I595 PolarHBondContact O-N 3.38Å |
| 592 | E | 80.1 | Confident | 68.4 | Low | 74 Ų | 74 | 73.3 Ų | 73.3 | 35% | 0.346 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 176.1 | -75.1 | -61.4 | 157.6 | 0 | 0 | 112.2 | R564 L588 W594 I595 N596 | R564-E592 IonicContact CZ-OE1 3.91Å; R564-E592 IonicContact CZ-OE2 3.75Å; R564-E592 IonicContact NH1-OE1 3.75Å; R564-E592 PolarHBondContact NH1-OE1 2.91Å; R564-E592 IonicContact NH1-OE2 2.89Å; R564-E592 IonicContact NH2-OE1 3.09Å; R564-E592 PolarHBondContact NH2-OE1 2.73Å; R564-E592 IonicContact NH2-OE2 2.84Å; R564-E592 PolarHBondContact NH2-OE2 2.81Å; L588-E592 PolarHBondContact O-N 3.39Å; E592-W594 VanDerWaalsContact C-N 3.34Å; E592-W594 PolarHBondContact O-N 3.49Å; E592-I595 PolarHBondContact O-N 3.38Å; E592-N596 WeakPolarHBondContact O-CB 3.43Å; E592-N596 PolarHBondContact O-N 2.95Å; E592-N596 PolarHBondContact O-ND2 3.46Å |
| 593 | K | 80 | Confident | 70.9 | Confident | 122 Ų | 122 | 70.6 Ų | 70.6 | 53% | 0.53 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 174.3 | -74.7 | 171 | -170.8 | 161.1 | 0 | 111.6 | E589 N590 T591 W597 | E589-K593 WeakPolarHBondContact O-CG 3.31Å; E589-K593 PolarHBondContact O-N 2.75Å; N590-K593 PolarHBondContact O-N 3.4Å; T591-K593 VanDerWaalsContact C-N 3.33Å; T591-K593 PolarHBondContact O-N 2.82Å; K593-W597 VanDerWaalsContact O-CB 3.31Å; K593-W597 WeakPolarHBondContact O-CB 3.24Å; K593-W597 PolarHBondContact O-N 2.95Å |
| 594 | W | 76.2 | Confident | 73.2 | Confident | 85 Ų | 85 | 70.1 Ų | 70.1 | 32% | 0.322 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 176.6 | -71.5 | -19.2 | 0 | 0 | 0 | 112.7 | I567 H571 N590 T591 E592 N596 W597 Y598 | I567-W594 HydrophobicContact CD1-CB 4.21Å; I567-W594 HydrophobicContact CG2-CE3 4.36Å; H571-W594 AromaticContact CE1-CH2 3.91Å; H571-W594 AromaticContact CE1-CZ3 3.32Å; H571-W594 WeakPolarHBondContact CE1-CZ3 3.24Å; H571-W594 AromaticContact NE2-CE3 3.64Å; H571-W594 AromaticContact NE2-CZ3 3.18Å; H571-W594 WeakPolarHBondContact NE2-CZ3 3.28Å; N590-W594 PolarHBondContact O-N 2.88Å; T591-W594 PolarHBondContact O-N 2.82Å; E592-W594 VanDerWaalsContact C-N 3.34Å; E592-W594 PolarHBondContact O-N 3.49Å; W594-N596 PolarHBondContact O-N 2.94Å; W594-W597 WeakPolarHBondContact O-CB 3.39Å; W594-W597 PolarHBondContact O-N 3.35Å; W594-Y598 WeakPolarHBondContact O-CD2 3.08Å; W594-Y598 PolarHBondContact O-N 2.82Å |
| 595 | I | 83 | Confident | 75.6 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.1 | -51.5 | 177.8 | -67.6 | 157.8 | 0 | 0 | 0 | 110.1 | E560 I563 R564 I567 T591 E592 W597 Y598 I599 | E560-I595 HydrophobicContact CG-CG2 4.37Å; I563-I595 HydrophobicContact CG2-CG1 4.33Å; R564-I595 HydrophobicContact CG-CD1 3.62Å; R564-I595 HydrophobicContact CG-CG1 4.21Å; R564-I595 HydrophobicContact CG-CG2 4.34Å; I567-I595 HydrophobicContact CD1-CG1 3.77Å; T591-I595 HydrophobicContact CG2-CD1 3.61Å; T591-I595 HydrophobicContact CG2-CG1 4.36Å; T591-I595 WeakPolarHBondContact O-CD1 3.38Å; T591-I595 VanDerWaalsContact O-CG1 3.26Å; T591-I595 WeakPolarHBondContact O-CG1 3.41Å; T591-I595 PolarHBondContact O-N 3.38Å; E592-I595 PolarHBondContact O-N 3.38Å; I595-W597 VanDerWaalsContact C-N 3.28Å; I595-W597 PolarHBondContact O-N 2.79Å; I595-Y598 PolarHBondContact O-N 3.28Å; I595-Y598 VanDerWaalsContact O-N 3.15Å; I595-I599 HydrophobicContact CG2-CD1 3.67Å; I595-I599 HydrophobicContact CG2-CG1 4.34Å; I595-I599 WeakPolarHBondContact O-CG1 3.43Å; I595-I599 PolarHBondContact O-N 3.29Å |
| 596 | N | 86.3 | Confident | 77.9 | Confident | 89 Ų | 89 | 62.3 Ų | 62.3 | 48% | 0.476 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.6 | -40.9 | 178.2 | -73.9 | -44.1 | 0 | 0 | 0 | 111.7 | E592 W594 I599 Q600 | E592-N596 WeakPolarHBondContact O-CB 3.43Å; E592-N596 PolarHBondContact O-N 2.95Å; E592-N596 PolarHBondContact O-ND2 3.46Å; W594-N596 PolarHBondContact O-N 2.94Å; N596-I599 PolarHBondContact O-N 2.98Å; N596-Q600 VanDerWaalsContact O-CB 3.31Å; N596-Q600 WeakPolarHBondContact O-CB 3.38Å; N596-Q600 PolarHBondContact O-N 3.12Å |
| 597 | W | 83.9 | Confident | 79.9 | Confident | 110 Ų | 110 | 60.5 Ų | 60.5 | 42% | 0.417 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 175 | -176.5 | 89.1 | 0 | 0 | 0 | 112.2 | K593 W594 I595 R601 | K593-W597 VanDerWaalsContact O-CB 3.31Å; K593-W597 WeakPolarHBondContact O-CB 3.24Å; K593-W597 PolarHBondContact O-N 2.95Å; W594-W597 WeakPolarHBondContact O-CB 3.39Å; W594-W597 PolarHBondContact O-N 3.35Å; I595-W597 VanDerWaalsContact C-N 3.28Å; I595-W597 PolarHBondContact O-N 2.79Å; W597-R601 VanDerWaalsContact CH2-CD 3.43Å; W597-R601 WeakPolarHBondContact O-CB 3.39Å; W597-R601 PolarHBondContact O-N 2.94Å |
| 598 | Y | 86.5 | Confident | 81.5 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 178 | -85 | -70.5 | 0 | 0 | 0 | 112.7 | V404 M506 E532 I567 W594 I595 R601 T602 | V404-Y598 HydrophobicContact CB-CE1 4.28Å; V404-Y598 HydrophobicContact CG2-CE1 3.8Å; M506-Y598 HydrophobicContact CE-CD2 4.09Å; M506-Y598 HydrophobicContact CE-CE1 4.44Å; M506-Y598 HydrophobicContact CE-CE2 3.31Å; M506-Y598 HydrophobicContact CG-CE2 4.07Å; M506-Y598 WeakPolarHBondContact CG-OH 3.44Å; E532-Y598 WeakPolarHBondContact OE1-CE1 3.47Å; I567-Y598 HydrophobicContact CD1-CD2 4.35Å; W594-Y598 WeakPolarHBondContact O-CD2 3.08Å; W594-Y598 PolarHBondContact O-N 2.82Å; I595-Y598 PolarHBondContact O-N 3.28Å; I595-Y598 VanDerWaalsContact O-N 3.15Å; Y598-R601 PolarHBondContact O-N 3.21Å; Y598-T602 WeakPolarHBondContact O-CB 3.41Å; Y598-T602 PolarHBondContact O-N 3.38Å; Y598-T602 PolarHBondContact O-OG1 2.84Å |
| 599 | I | 89 | Confident | 82.9 | Confident | 33 Ų | 33 | 59.9 Ų | 59.9 | 17% | 0.169 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.4 | -50.7 | 176.2 | -67.9 | 169.3 | 0 | 0 | 0 | 109.7 | E560 I563 I595 N596 R601 T602 D603 | E560-I599 HydrophobicContact CB-CD1 3.86Å; E560-I599 HydrophobicContact CB-CG1 4.45Å; E560-I599 HydrophobicContact CG-CD1 3.73Å; I563-I599 HydrophobicContact CD1-CG1 4.36Å; I595-I599 HydrophobicContact CG2-CD1 3.67Å; I595-I599 HydrophobicContact CG2-CG1 4.34Å; I595-I599 WeakPolarHBondContact O-CG1 3.43Å; I595-I599 PolarHBondContact O-N 3.29Å; N596-I599 PolarHBondContact O-N 2.98Å; I599-R601 VanDerWaalsContact C-N 3.28Å; I599-R601 PolarHBondContact O-N 2.81Å; I599-T602 PolarHBondContact O-N 3.27Å; I599-D603 WeakPolarHBondContact O-CB 3.43Å; I599-D603 PolarHBondContact O-N 3.42Å |
| 600 | Q | 88.3 | Confident | 84.2 | Confident | 107 Ų | 107 | 57.5 Ų | 57.5 | 50% | 0.5 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 178.3 | -172 | -175.6 | 5.6 | 0 | 0 | 111.4 | N596 Q604 | N596-Q600 VanDerWaalsContact O-CB 3.31Å; N596-Q600 WeakPolarHBondContact O-CB 3.38Å; N596-Q600 PolarHBondContact O-N 3.12Å; Q600-Q604 HydrophobicContact CG-CG 4.39Å; Q600-Q604 VanDerWaalsContact CG-OE1 3.31Å; Q600-Q604 VanDerWaalsContact NE2-OE1 3.11Å; Q600-Q604 VanDerWaalsContact O-CB 3.31Å; Q600-Q604 WeakPolarHBondContact O-CB 3.35Å; Q600-Q604 PolarHBondContact O-N 3.49Å |
| 601 | R | 88.3 | Confident | 85.2 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 6% | 0.06 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -60.5 | -47.1 | 177 | -168.4 | -179.7 | 179.2 | 91.8 | 3.6 | 111.1 | E532 E534 W597 Y598 I599 L605 Y606 | E532-R601 IonicContact OE2-CZ 3.03Å; E532-R601 IonicContact OE2-NE 2.8Å; E532-R601 PolarHBondContact OE2-NE 3.26Å; E532-R601 VanDerWaalsContact OE2-NE 3.11Å; E532-R601 IonicContact OE2-NH2 2.73Å; E534-R601 IonicContact OE1-CZ 2.83Å; E534-R601 IonicContact OE1-NH1 3.84Å; E534-R601 IonicContact OE1-NH2 2.86Å; E534-R601 PolarHBondContact OE1-NH2 3.01Å; E534-R601 IonicContact OE2-NH2 3.26Å; E534-R601 PolarHBondContact OE2-NH2 3.31Å; W597-R601 VanDerWaalsContact CH2-CD 3.43Å; W597-R601 WeakPolarHBondContact O-CB 3.39Å; W597-R601 PolarHBondContact O-N 2.94Å; Y598-R601 PolarHBondContact O-N 3.21Å; I599-R601 VanDerWaalsContact C-N 3.28Å; I599-R601 PolarHBondContact O-N 2.81Å; R601-L605 HydrophobicContact CG-CB 4.26Å; R601-L605 HydrophobicContact CG-CD2 3.87Å; R601-L605 WeakPolarHBondContact O-CA 2.87Å; R601-L605 VanDerWaalsContact O-CB 3.3Å; R601-L605 WeakPolarHBondContact O-CB 3.21Å; R601-L605 PolarHBondContact O-N 3.11Å; R601-Y606 HydrophobicContact CG-CD2 4.35Å; R601-Y606 HydrophobicContact CG-CE2 4.07Å; R601-Y606 WeakPolarHBondContact O-CD2 3.29Å; R601-Y606 PolarHBondContact O-N 2.85Å; R601-Y606 VanDerWaalsContact O-N 3.08Å |
| 602 | T | 89.2 | Confident | 86 | Confident | 5 Ų | 5 | 66.9 Ų | 66.9 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | I | π-helix | trans | -65.3 | -46.3 | 178.4 | -61.4 | 0 | 0 | 0 | 0 | 112.9 | P403 P553 L556 Y559 Y598 I599 P607 | P403-T602 VanDerWaalsContact CB-OG1 3.24Å; P403-T602 WeakPolarHBondContact CB-OG1 3.46Å; P403-T602 HydrophobicContact CG-CG2 3.96Å; P403-T602 VanDerWaalsContact CG-OG1 3.32Å; P403-T602 WeakPolarHBondContact CG-OG1 3.44Å; P553-T602 HydrophobicContact CG-CG2 3.67Å; L556-T602 HydrophobicContact CD2-CG2 3.93Å; Y559-T602 HydrophobicContact CD1-CG2 4.23Å; Y559-T602 HydrophobicContact CE1-CG2 3.93Å; Y559-T602 WeakPolarHBondContact CE1-OG1 3.29Å; Y559-T602 PolarHBondContact OH-OG1 2.86Å; Y598-T602 WeakPolarHBondContact O-CB 3.41Å; Y598-T602 PolarHBondContact O-N 3.38Å; Y598-T602 PolarHBondContact O-OG1 2.84Å; I599-T602 PolarHBondContact O-N 3.27Å; T602-P607 VanDerWaalsContact O-CD 3.28Å; T602-P607 WeakPolarHBondContact O-CD 3.38Å |
| 603 | D | 89 | Confident | 86.3 | Confident | 84 Ų | 84 | 65.9 Ų | 65.9 | 45% | 0.449 | 31% | 0.306 | S | S | . | . | I | π-helix | trans | -75.7 | -37.7 | -174.5 | -177.9 | 47.3 | 0 | 0 | 0 | 112.9 | L556 I599 P607 | L556-D603 HydrophobicContact CD1-CB 3.82Å; L556-D603 VanDerWaalsContact CD1-OD1 3.26Å; L556-D603 WeakPolarHBondContact CD1-OD1 3.45Å; L556-D603 HydrophobicContact CD2-CB 4.27Å; I599-D603 WeakPolarHBondContact O-CB 3.43Å; I599-D603 PolarHBondContact O-N 3.42Å; D603-P607 WeakPolarHBondContact O-CG 3.27Å |
| 604 | Q | 88.5 | Confident | 86.4 | Confident | 99 Ų | 99 | 65.6 Ų | 65.6 | 46% | 0.463 | 32% | 0.317 | S | S | . | . | I | π-helix | trans | -106.7 | -53.7 | -173.1 | -58.3 | -179.7 | -9.4 | 0 | 0 | 112.2 | Q600 Q608 | Q600-Q604 HydrophobicContact CG-CG 4.39Å; Q600-Q604 VanDerWaalsContact CG-OE1 3.31Å; Q600-Q604 VanDerWaalsContact NE2-OE1 3.11Å; Q600-Q604 VanDerWaalsContact O-CB 3.31Å; Q600-Q604 WeakPolarHBondContact O-CB 3.35Å; Q600-Q604 PolarHBondContact O-N 3.49Å; Q604-Q608 WeakPolarHBondContact O-CB 3.49Å; Q604-Q608 PolarHBondContact O-N 3.39Å |
| 605 | L | 87.7 | Confident | 86.8 | Confident | 49 Ų | 49 | 64.4 Ų | 64.4 | 26% | 0.257 | 33% | 0.331 | S | S | . | . | I | π-helix | trans | -74.5 | -43.2 | -166 | -179.9 | 140.7 | 0 | 0 | 0 | 113 | L361 L533 R601 Q608 I609 | L361-L605 HydrophobicContact CD1-CD1 4.22Å; L361-L605 HydrophobicContact CD1-CD2 3.68Å; L361-L605 HydrophobicContact CD1-CG 4.47Å; L533-L605 HydrophobicContact CD1-CD2 3.26Å; R601-L605 HydrophobicContact CG-CB 4.26Å; R601-L605 HydrophobicContact CG-CD2 3.87Å; R601-L605 WeakPolarHBondContact O-CA 2.87Å; R601-L605 VanDerWaalsContact O-CB 3.3Å; R601-L605 WeakPolarHBondContact O-CB 3.21Å; R601-L605 PolarHBondContact O-N 3.11Å; L605-Q608 PolarHBondContact O-N 3.29Å; L605-I609 HydrophobicContact CD2-CD1 3.55Å; L605-I609 HydrophobicContact CG-CD1 3.87Å; L605-I609 WeakPolarHBondContact O-CG1 3.47Å; L605-I609 PolarHBondContact O-N 2.83Å |
| 606 | Y | 89.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.1 | -50.7 | 177.3 | -81.9 | -89.8 | 0 | 0 | 0 | 112.8 | I401 G402 P403 L533 L550 L552 R601 Q608 I609 H610 | I401-Y606 HydrophobicContact CG2-CE1 4.26Å; G402-Y606 PolarHBondContact O-OH 3.08Å; P403-Y606 HydrophobicContact CB-CE2 3.83Å; P403-Y606 HydrophobicContact CG-CE2 4.39Å; L533-Y606 HydrophobicContact CD1-CD1 3.85Å; L533-Y606 HydrophobicContact CD1-CD2 4.35Å; L533-Y606 HydrophobicContact CD1-CE1 3.72Å; L533-Y606 HydrophobicContact CD1-CE2 4.21Å; L533-Y606 HydrophobicContact CD1-CG 4.19Å; L533-Y606 HydrophobicContact CD2-CD1 3.92Å; L533-Y606 HydrophobicContact CD2-CE1 3.78Å; L533-Y606 HydrophobicContact CG-CD1 3.93Å; L533-Y606 HydrophobicContact CG-CE1 3.45Å; L533-Y606 VanDerWaalsContact CG-CE1 3.45Å; L550-Y606 HydrophobicContact CD1-CD1 3.47Å; L550-Y606 VanDerWaalsContact CD1-CD1 3.47Å; L550-Y606 HydrophobicContact CD1-CE1 3.77Å; L552-Y606 HydrophobicContact CD2-CD1 4.09Å; L552-Y606 HydrophobicContact CD2-CG 3.9Å; R601-Y606 HydrophobicContact CG-CD2 4.35Å; R601-Y606 HydrophobicContact CG-CE2 4.07Å; R601-Y606 WeakPolarHBondContact O-CD2 3.29Å; R601-Y606 PolarHBondContact O-N 2.85Å; R601-Y606 VanDerWaalsContact O-N 3.08Å; Y606-Q608 VanDerWaalsContact C-N 3.28Å; Y606-Q608 PolarHBondContact O-N 2.87Å; Y606-I609 PolarHBondContact O-N 2.88Å; Y606-H610 PolarHBondContact O-N 2.86Å |
| 607 | P | 85.8 | Confident | 87.2 | Confident | 46 Ų | 46 | 60.9 Ų | 60.9 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.7 | -33.8 | 175.6 | -26.3 | 37 | 0 | 0 | 0 | 113.2 | T602 D603 R611 | T602-P607 VanDerWaalsContact O-CD 3.28Å; T602-P607 WeakPolarHBondContact O-CD 3.38Å; D603-P607 WeakPolarHBondContact O-CG 3.27Å; P607-R611 WeakPolarHBondContact O-CG 3.27Å; P607-R611 PolarHBondContact O-N 2.94Å; P607-R611 VanDerWaalsContact O-N 3.14Å; P607-R611 PolarHBondContact O-NE 3.37Å |
| 608 | Q | 87.4 | Confident | 87.4 | Confident | 97 Ų | 97 | 60.3 Ų | 60.3 | 45% | 0.453 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.8 | -51 | 173.8 | -179.5 | 177.8 | -2.2 | 0 | 0 | 111.4 | Q604 L605 Y606 H610 R611 D612 | Q604-Q608 WeakPolarHBondContact O-CB 3.49Å; Q604-Q608 PolarHBondContact O-N 3.39Å; L605-Q608 PolarHBondContact O-N 3.29Å; Y606-Q608 VanDerWaalsContact C-N 3.28Å; Y606-Q608 PolarHBondContact O-N 2.87Å; Q608-H610 VanDerWaalsContact C-N 3.32Å; Q608-H610 PolarHBondContact O-N 3.24Å; Q608-R611 PolarHBondContact O-N 3.08Å; Q608-R611 VanDerWaalsContact O-N 3.12Å; Q608-D612 VanDerWaalsContact CG-OD2 3.28Å; Q608-D612 WeakPolarHBondContact CG-OD2 3.41Å; Q608-D612 PolarHBondContact NE2-OD2 2.88Å; Q608-D612 WeakPolarHBondContact O-CB 3.29Å; Q608-D612 VanDerWaalsContact O-CG 3.3Å; Q608-D612 PolarHBondContact O-N 3.32Å |
| 609 | I | 86.9 | Confident | 87.5 | Confident | 20 Ų | 20 | 60.7 Ų | 60.7 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.8 | -39 | -178.4 | -75.1 | 168.4 | 0 | 0 | 0 | 112.1 | L361 L533 L605 Y606 R611 D612 N613 L616 F617 | L361-I609 HydrophobicContact CD1-CD1 3.82Å; L533-I609 HydrophobicContact CD1-CD1 3.54Å; L533-I609 HydrophobicContact CD2-CG2 4.32Å; L605-I609 HydrophobicContact CD2-CD1 3.55Å; L605-I609 HydrophobicContact CG-CD1 3.87Å; L605-I609 WeakPolarHBondContact O-CG1 3.47Å; L605-I609 PolarHBondContact O-N 2.83Å; Y606-I609 PolarHBondContact O-N 2.88Å; I609-R611 VanDerWaalsContact C-N 3.35Å; I609-D612 PolarHBondContact O-N 3.23Å; I609-N613 WeakPolarHBondContact O-CB 3.26Å; I609-N613 PolarHBondContact O-N 2.86Å; I609-N613 PolarHBondContact O-ND2 3.36Å; I609-N613 VanDerWaalsContact O-ND2 3.07Å; I609-L616 HydrophobicContact CG2-CD2 3.41Å; I609-L616 VanDerWaalsContact CG2-CD2 3.41Å; I609-F617 HydrophobicContact CG2-CE2 4.24Å; I609-F617 HydrophobicContact CG2-CZ 4.37Å |
| 610 | H | 87.3 | Confident | 87.6 | Confident | 76 Ų | 76 | 61.9 Ų | 61.9 | 35% | 0.352 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 175.1 | 178.8 | 52.1 | 0 | 0 | 0 | 112.1 | L550 Y606 Q608 F617 | L550-H610 HydrophobicContact CD2-CB 4.46Å; Y606-H610 PolarHBondContact O-N 2.86Å; Q608-H610 VanDerWaalsContact C-N 3.32Å; Q608-H610 PolarHBondContact O-N 3.24Å; H610-F617 HydrophobicContact CB-CD2 4.24Å; H610-F617 HydrophobicContact CB-CE2 4.19Å; H610-F617 AromaticContact ND1-CD2 3.73Å |
| 611 | R | 87 | Confident | 87.7 | Confident | 182 Ų | 182 | 57.4 Ų | 57.4 | 69% | 0.687 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -67.7 | -43.5 | 176 | -75.4 | -176.2 | -66 | 164.8 | -0.7 | 112.7 | P607 Q608 I609 N613 | P607-R611 WeakPolarHBondContact O-CG 3.27Å; P607-R611 PolarHBondContact O-N 2.94Å; P607-R611 VanDerWaalsContact O-N 3.14Å; P607-R611 PolarHBondContact O-NE 3.37Å; Q608-R611 PolarHBondContact O-N 3.08Å; Q608-R611 VanDerWaalsContact O-N 3.12Å; I609-R611 VanDerWaalsContact C-N 3.35Å; R611-N613 VanDerWaalsContact C-N 3.3Å; R611-N613 PolarHBondContact O-N 3.47Å |
| 612 | D | 87.1 | Confident | 87.6 | Confident | 103 Ų | 103 | 59.3 Ų | 59.3 | 55% | 0.551 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -75 | -21 | -175.1 | -67.4 | -12.5 | 0 | 0 | 0 | 112.3 | Q608 I609 | Q608-D612 VanDerWaalsContact CG-OD2 3.28Å; Q608-D612 WeakPolarHBondContact CG-OD2 3.41Å; Q608-D612 PolarHBondContact NE2-OD2 2.88Å; Q608-D612 WeakPolarHBondContact O-CB 3.29Å; Q608-D612 VanDerWaalsContact O-CG 3.3Å; Q608-D612 PolarHBondContact O-N 3.32Å; I609-D612 PolarHBondContact O-N 3.23Å |
| 613 | N | 85.5 | Confident | 87.3 | Confident | 54 Ų | 54 | 59.2 Ų | 59.2 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -129.1 | 73.4 | -177.6 | -55.6 | -87.5 | 0 | 0 | 0 | 111.7 | I609 R611 G615 L616 | I609-N613 WeakPolarHBondContact O-CB 3.26Å; I609-N613 PolarHBondContact O-N 2.86Å; I609-N613 PolarHBondContact O-ND2 3.36Å; I609-N613 VanDerWaalsContact O-ND2 3.07Å; R611-N613 VanDerWaalsContact C-N 3.3Å; R611-N613 PolarHBondContact O-N 3.47Å; N613-G615 PolarHBondContact O-N 3.29Å; N613-L616 HydrophobicContact CB-CB 3.7Å; N613-L616 HydrophobicContact CB-CD2 3.92Å; N613-L616 HydrophobicContact CB-CG 4.41Å; N613-L616 WeakPolarHBondContact O-CB 3.35Å; N613-L616 PolarHBondContact O-N 3.4Å |
| 614 | P | 83.4 | Confident | 86.9 | Confident | 115 Ų | 115 | 58.1 Ų | 58.1 | 75% | 0.747 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 131.6 | 174.6 | 24.7 | -33 | 0 | 0 | 0 | 110.5 | L616 | P614-L616 VanDerWaalsContact C-N 3.32Š|
| 615 | G | 83.1 | Confident | 86.7 | Confident | 60 Ų | 60 | 57 Ų | 57 | 62% | 0.619 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 3.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | R540 N613 F617 | R540-G615 PolarHBondContact NH2-O 3.46Å; N613-G615 PolarHBondContact O-N 3.29Å; G615-F617 VanDerWaalsContact C-N 3.32Å |
| 616 | L | 86.6 | Confident | 86.4 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -63 | -42.4 | 168.1 | 178.5 | 60.4 | 0 | 0 | 0 | 111.2 | L536 R540 S548 I609 N613 P614 | L536-L616 HydrophobicContact CD2-CD1 3.69Å; L536-L616 HydrophobicContact CD2-CG 3.9Å; L536-L616 HydrophobicContact CG-CD1 4.31Å; R540-L616 PolarHBondContact NH2-O 3.02Å; S548-L616 PolarHBondContact OG-O 3.03Å; I609-L616 HydrophobicContact CG2-CD2 3.41Å; I609-L616 VanDerWaalsContact CG2-CD2 3.41Å; N613-L616 HydrophobicContact CB-CB 3.7Å; N613-L616 HydrophobicContact CB-CD2 3.92Å; N613-L616 HydrophobicContact CB-CG 4.41Å; N613-L616 WeakPolarHBondContact O-CB 3.35Å; N613-L616 PolarHBondContact O-N 3.4Å; P614-L616 VanDerWaalsContact C-N 3.32Å |
| 617 | F | 90.8 | Very high | 86.2 | Confident | 11 Ų | 11 | 62.8 Ų | 62.8 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -108.8 | 136.1 | 175.3 | -51.5 | -73.9 | 0 | 0 | 0 | 109.6 | I401 L533 L536 L550 I609 H610 G615 A619 | I401-F617 HydrophobicContact CB-CE1 4.26Å; I401-F617 HydrophobicContact CG2-CE1 4.08Å; L533-F617 HydrophobicContact CD2-CE1 4.18Å; L533-F617 HydrophobicContact CD2-CZ 3.58Å; L536-F617 HydrophobicContact CD2-CD1 3.89Å; L536-F617 HydrophobicContact CD2-CE1 3.46Å; L536-F617 VanDerWaalsContact CD2-CE1 3.46Å; L536-F617 HydrophobicContact CD2-CZ 4.24Å; L550-F617 HydrophobicContact CB-CB 4.23Å; L550-F617 HydrophobicContact CB-CD1 3.73Å; L550-F617 HydrophobicContact CB-CD2 4.23Å; L550-F617 HydrophobicContact CB-CE1 4.11Å; L550-F617 HydrophobicContact CB-CG 3.79Å; L550-F617 HydrophobicContact CD1-CE1 4.38Å; L550-F617 HydrophobicContact CD1-CZ 4.43Å; L550-F617 HydrophobicContact CD2-CD2 3.93Å; L550-F617 HydrophobicContact CD2-CE2 3.83Å; L550-F617 HydrophobicContact CD2-CG 4.35Å; L550-F617 HydrophobicContact CD2-CZ 4.16Å; I609-F617 HydrophobicContact CG2-CE2 4.24Å; I609-F617 HydrophobicContact CG2-CZ 4.37Å; H610-F617 HydrophobicContact CB-CD2 4.24Å; H610-F617 HydrophobicContact CB-CE2 4.19Å; H610-F617 AromaticContact ND1-CD2 3.73Å; G615-F617 VanDerWaalsContact C-N 3.32Å; F617-A619 VanDerWaalsContact C-N 3.34Å |
| 618 | D | 88.7 | Confident | 86.2 | Confident | 98 Ų | 98 | 64.7 Ų | 64.7 | 52% | 0.524 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -75.1 | -29.7 | 176.6 | -61.3 | -80.5 | 0 | 0 | 0 | 111.2 | R547 S548 | R547-D618 VanDerWaalsContact CA-OD2 3.25Å; R547-D618 WeakPolarHBondContact CA-OD2 3.35Å; S548-D618 PolarHBondContact N-OD2 3.37Å; S548-D618 PolarHBondContact O-N 3.33Å |
| 619 | A | 89 | Confident | 86.1 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 11% | 0.107 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 154.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I549 L550 F617 L636 | I549-A619 WeakPolarHBondContact CA-O 2.96Å; I549-A619 HydrophobicContact CG1-CB 4.44Å; I549-A619 HydrophobicContact CG2-CB 4.37Å; L550-A619 PolarHBondContact N-O 2.59Å; F617-A619 VanDerWaalsContact C-N 3.34Å; A619-L636 HydrophobicContact CB-CD1 3.48Å; A619-L636 VanDerWaalsContact CB-CD1 3.48Å; A619-L636 HydrophobicContact CB-CD2 3.63Å; A619-L636 HydrophobicContact CB-CG 4.21Å |
| 620 | V | 90 | Very high | 86.1 | Confident | 58 Ų | 58 | 60.8 Ų | 60.8 | 35% | 0.352 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.5 | 172.5 | -173.7 | 0 | 0 | 0 | 0 | 108.2 | L550 L552 | L550-V620 HydrophobicContact CB-CG1 4.35Å; L550-V620 HydrophobicContact CB-CG2 4.21Å; L550-V620 HydrophobicContact CD2-CG1 4.19Å; L550-V620 HydrophobicContact CD2-CG2 4.27Å; L550-V620 HydrophobicContact CG-CG1 4.25Å; L550-V620 CarbonylContact O-C 3.17Å; L550-V620 WeakPolarHBondContact O-CA 3.44Å; L552-V620 HydrophobicContact CD1-CG1 4.44Å |
| 621 | L | 90.8 | Very high | 86.1 | Confident | 13 Ų | 13 | 63.6 Ų | 63.6 | 7% | 0.068 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 134.9 | 178.3 | -56 | -179 | 0 | 0 | 0 | 108.9 | I549 L550 C551 L552 L629 Q632 L633 | I549-L621 HydrophobicContact CG2-CD1 3.86Å; I549-L621 HydrophobicContact CG2-CG 3.96Å; L550-L621 PolarHBondContact O-N 3.07Å; C551-L621 WeakPolarHBondContact CA-O 3.49Å; L552-L621 PolarHBondContact N-O 3.05Å; L621-L629 HydrophobicContact CB-CD2 3.9Å; L621-Q632 HydrophobicContact CD1-CB 4.28Å; L621-Q632 HydrophobicContact CD2-CB 3.97Å; L621-L633 HydrophobicContact CD1-CB 3.74Å; L621-L633 HydrophobicContact CD1-CD1 4.09Å; L621-L633 HydrophobicContact CD1-CG 4.48Å |
| 622 | S | 85.8 | Confident | 86 | Confident | 57 Ų | 57 | 57.9 Ų | 57.9 | 40% | 0.399 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 111.3 | -179.2 | 66.5 | 0 | 0 | 0 | 0 | 110.8 | L552 N554 | L552-S622 VanDerWaalsContact O-CA 3.31Å; L552-S622 WeakPolarHBondContact O-CA 3.44Å; N554-S622 PolarHBondContact ND2-O 3.24Å; N554-S622 WeakPolarHBondContact OD1-CB 3.34Å; N554-S622 PolarHBondContact OD1-O 3Å; N554-S622 PolarHBondContact OD1-OG 3.44Å; N554-S622 VanDerWaalsContact OD1-OG 3.1Å |
| 623 | S | 84.2 | Confident | 86 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | trans | -160.9 | 148.3 | 173.1 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | L552 N554 D625 E628 L629 | L552-S623 PolarHBondContact O-N 3.22Å; N554-S623 WeakPolarHBondContact ND2-CA 3.45Å; S623-D625 PolarHBondContact OG-N 2.75Å; S623-D625 PolarHBondContact OG-O 2.87Å; S623-E628 WeakPolarHBondContact CB-OE2 3.37Å; S623-E628 PolarHBondContact OG-OE2 3.09Å; S623-L629 WeakPolarHBondContact O-CD1 3.44Å | ||
| 624 | D | 81.2 | Confident | 86 | Confident | 60 Ų | 60 | 52.3 Ų | 52.3 | 32% | 0.321 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -85.2 | -15.9 | 173.2 | -60.9 | -37.7 | 0 | 0 | 0 | 111.6 | N554 N555 | N554-D624 PolarHBondContact N-OD1 2.69Å; N555-D624 WeakPolarHBondContact CB-OD2 3.47Å; N555-D624 PolarHBondContact N-OD1 3.39Å; N555-D624 PolarHBondContact N-OD2 2.91Å; N555-D624 VanDerWaalsContact N-OD2 3.08Å |
| 625 | D | 84.4 | Confident | 86.1 | Confident | 76 Ų | 76 | 52 Ų | 52 | 41% | 0.406 | 29% | 0.286 | S | S | . | . | trans | -95.4 | 120.1 | 176.7 | -171.6 | -6.3 | 0 | 0 | 0 | 111.2 | S623 Q627 E628 L629 | S623-D625 PolarHBondContact OG-N 2.75Å; S623-D625 PolarHBondContact OG-O 2.87Å; D625-Q627 PolarHBondContact O-N 2.81Å; D625-Q627 PolarHBondContact OD1-N 3.11Å; D625-E628 HydrophobicContact CB-CB 4.1Å; D625-E628 PolarHBondContact O-N 2.55Å; D625-L629 PolarHBondContact O-N 3.14Å | ||
| 626 | T | 79.4 | Confident | 86.1 | Confident | 34 Ų | 34 | 52.1 Ų | 52.1 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.7 | -32.4 | 174.7 | 54.8 | 0 | 0 | 0 | 0 | 114.3 | N407 L411 F630 | N407-T626 HydrophobicContact CB-CG2 3.55Å; N407-T626 WeakPolarHBondContact ND2-CG2 3.49Å; L411-T626 WeakPolarHBondContact CD2-O 3.13Å; T626-F630 WeakPolarHBondContact O-CB 3.42Å; T626-F630 PolarHBondContact O-N 3.38Å |
| 627 | Q | 85.2 | Confident | 85.9 | Confident | 137 Ų | 137 | 52 Ų | 52 | 64% | 0.64 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -73.5 | -40.9 | 179.6 | -67 | -171 | -6.3 | 0 | 0 | 111.2 | D625 F630 Q631 | D625-Q627 PolarHBondContact O-N 2.81Å; D625-Q627 PolarHBondContact OD1-N 3.11Å; Q627-F630 WeakPolarHBondContact O-CB 3.5Å; Q627-F630 PolarHBondContact O-N 3.15Å; Q627-Q631 WeakPolarHBondContact O-CG 3.36Å; Q627-Q631 PolarHBondContact O-N 2.94Å |
| 628 | E | 86.4 | Confident | 85.2 | Confident | 85 Ų | 85 | 54.8 Ų | 54.8 | 40% | 0.397 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.8 | -47 | 175.1 | -170.3 | -170.5 | 178.3 | 0 | 0 | 110.9 | S623 D625 F630 Q631 Q632 | S623-E628 WeakPolarHBondContact CB-OE2 3.37Å; S623-E628 PolarHBondContact OG-OE2 3.09Å; D625-E628 HydrophobicContact CB-CB 4.1Å; D625-E628 PolarHBondContact O-N 2.55Å; E628-F630 PolarHBondContact O-N 3.35Å; E628-Q631 PolarHBondContact O-N 3.4Å; E628-Q631 VanDerWaalsContact O-N 3.12Å; E628-Q632 WeakPolarHBondContact O-CG 3.01Å; E628-Q632 PolarHBondContact O-N 3.45Å; E628-Q632 PolarHBondContact OE1-NE2 3.41Å |
| 629 | L | 85.9 | Confident | 84.4 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -54.6 | -42.3 | 173.3 | -78.4 | 176.8 | 0 | 0 | 0 | 111.6 | I406 L411 L621 S623 D625 L633 | I406-L629 HydrophobicContact CG2-CD1 3.41Å; I406-L629 VanDerWaalsContact CG2-CD1 3.41Å; L411-L629 HydrophobicContact CD1-CB 4.15Å; L411-L629 HydrophobicContact CD1-CD1 4.23Å; L411-L629 HydrophobicContact CD2-CB 4Å; L621-L629 HydrophobicContact CB-CD2 3.9Å; S623-L629 WeakPolarHBondContact O-CD1 3.44Å; D625-L629 PolarHBondContact O-N 3.14Å; L629-L633 WeakPolarHBondContact O-CB 3.04Å; L629-L633 PolarHBondContact O-N 2.99Å |
| 630 | F | 86.8 | Confident | 83.5 | Confident | 34 Ų | 34 | 56.4 Ų | 56.4 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 177.5 | 176.2 | -101 | 0 | 0 | 0 | 112.1 | L411 F414 L415 Q418 T626 Q627 E628 L633 L634 | L411-F630 HydrophobicContact CD2-CB 3.78Å; F414-F630 HydrophobicContact CB-CD2 3.68Å; F414-F630 HydrophobicContact CB-CE2 3.51Å; F414-F630 HydrophobicContact CB-CG 4.44Å; F414-F630 HydrophobicContact CB-CZ 4.14Å; L415-F630 HydrophobicContact CB-CE2 4.42Å; L415-F630 HydrophobicContact CD2-CD2 4.27Å; L415-F630 HydrophobicContact CD2-CE2 3.69Å; L415-F630 HydrophobicContact CD2-CZ 4.47Å; L415-F630 HydrophobicContact CG-CD2 4.24Å; L415-F630 HydrophobicContact CG-CE2 3.85Å; Q418-F630 HydrophobicContact CB-CZ 4.46Å; Q418-F630 HydrophobicContact CG-CZ 3.85Å; T626-F630 WeakPolarHBondContact O-CB 3.42Å; T626-F630 PolarHBondContact O-N 3.38Å; Q627-F630 WeakPolarHBondContact O-CB 3.5Å; Q627-F630 PolarHBondContact O-N 3.15Å; E628-F630 PolarHBondContact O-N 3.35Å; F630-L633 PolarHBondContact O-N 2.96Å; F630-L634 HydrophobicContact CE1-CD2 4.19Å; F630-L634 HydrophobicContact CZ-CD2 4.36Å; F630-L634 VanDerWaalsContact O-CB 3.28Å; F630-L634 WeakPolarHBondContact O-CB 3.17Å; F630-L634 PolarHBondContact O-N 3.37Å |
| 631 | Q | 86.5 | Confident | 82.4 | Confident | 135 Ų | 135 | 55 Ų | 55 | 63% | 0.631 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63 | -45.9 | 178.3 | -73 | 177.9 | -4.5 | 0 | 0 | 111.9 | Q627 E628 L633 L634 L635 | Q627-Q631 WeakPolarHBondContact O-CG 3.36Å; Q627-Q631 PolarHBondContact O-N 2.94Å; E628-Q631 PolarHBondContact O-N 3.4Å; E628-Q631 VanDerWaalsContact O-N 3.12Å; Q631-L633 VanDerWaalsContact C-N 3.33Å; Q631-L633 PolarHBondContact O-N 3.47Å; Q631-L634 PolarHBondContact O-N 2.58Å; Q631-L635 PolarHBondContact O-N 2.89Å |
| 632 | Q | 86.2 | Confident | 80.9 | Confident | 61 Ų | 61 | 57.8 Ų | 57.8 | 29% | 0.285 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 176.9 | -66.9 | 178.7 | 10.5 | 0 | 0 | 111.4 | L621 E628 L635 L636 | L621-Q632 HydrophobicContact CD1-CB 4.28Å; L621-Q632 HydrophobicContact CD2-CB 3.97Å; E628-Q632 WeakPolarHBondContact O-CG 3.01Å; E628-Q632 PolarHBondContact O-N 3.45Å; E628-Q632 PolarHBondContact OE1-NE2 3.41Å; Q632-L635 PolarHBondContact O-N 3Å; Q632-L636 PolarHBondContact O-N 3.49Å; Q632-L636 VanDerWaalsContact O-N 3.09Å |
| 633 | L | 86.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.4 | -42 | 178.3 | -179.6 | 59 | 0 | 0 | 0 | 112.2 | I400 L411 L415 I549 L621 L629 F630 Q631 L636 I637 | I400-L633 HydrophobicContact CD1-CD2 3.9Å; L411-L633 HydrophobicContact CB-CD2 4.4Å; L415-L633 HydrophobicContact CD1-CD2 3.37Å; L415-L633 HydrophobicContact CD1-CG 3.79Å; L415-L633 HydrophobicContact CD2-CG 4.33Å; L415-L633 HydrophobicContact CG-CD2 4.12Å; L415-L633 HydrophobicContact CG-CG 4.45Å; I549-L633 HydrophobicContact CB-CD1 4.49Å; I549-L633 HydrophobicContact CD1-CD1 3.25Å; I549-L633 HydrophobicContact CG1-CD1 4.43Å; I549-L633 HydrophobicContact CG2-CD1 4.13Å; L621-L633 HydrophobicContact CD1-CB 3.74Å; L621-L633 HydrophobicContact CD1-CD1 4.09Å; L621-L633 HydrophobicContact CD1-CG 4.48Å; L629-L633 WeakPolarHBondContact O-CB 3.04Å; L629-L633 PolarHBondContact O-N 2.99Å; F630-L633 PolarHBondContact O-N 2.96Å; Q631-L633 VanDerWaalsContact C-N 3.33Å; Q631-L633 PolarHBondContact O-N 3.47Å; L633-L636 PolarHBondContact O-N 3.01Å; L633-I637 HydrophobicContact CD1-CD1 3.95Å; L633-I637 HydrophobicContact CD1-CG1 4.39Å; L633-I637 HydrophobicContact CG-CD1 3.94Å; L633-I637 WeakPolarHBondContact O-CD1 3.44Å; L633-I637 VanDerWaalsContact O-CG1 3.26Å; L633-I637 WeakPolarHBondContact O-CG1 3.33Å; L633-I637 PolarHBondContact O-N 2.76Å |
| 634 | L | 85.3 | Confident | 77.8 | Confident | 40 Ų | 40 | 69 Ų | 69 | 21% | 0.209 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.6 | -45 | 176.8 | -177.8 | 65.4 | 0 | 0 | 0 | 110.9 | L415 L419 F630 Q631 L636 I637 L638 | L415-L634 HydrophobicContact CD2-CD1 4.32Å; L419-L634 HydrophobicContact CD1-CD1 3.91Å; L419-L634 HydrophobicContact CG-CD1 4.25Å; F630-L634 HydrophobicContact CE1-CD2 4.19Å; F630-L634 HydrophobicContact CZ-CD2 4.36Å; F630-L634 VanDerWaalsContact O-CB 3.28Å; F630-L634 WeakPolarHBondContact O-CB 3.17Å; F630-L634 PolarHBondContact O-N 3.37Å; Q631-L634 PolarHBondContact O-N 2.58Å; L634-L636 VanDerWaalsContact C-N 3.35Å; L634-L636 PolarHBondContact O-N 3.39Å; L634-I637 PolarHBondContact O-N 3.25Å; L634-L638 HydrophobicContact CD1-CD1 4.31Å; L634-L638 HydrophobicContact CD1-CG 4.3Å; L634-L638 HydrophobicContact CG-CD1 3.98Å; L634-L638 HydrophobicContact CG-CG 4.38Å; L634-L638 WeakPolarHBondContact O-CB 3.07Å; L634-L638 VanDerWaalsContact O-CG 3.29Å; L634-L638 WeakPolarHBondContact O-CG 3.26Å; L634-L638 PolarHBondContact O-N 3.28Å |
| 635 | L | 84.4 | Confident | 76.4 | Confident | 109 Ų | 109 | 71 Ų | 71 | 57% | 0.571 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -58.4 | -47.6 | 176.8 | -175.7 | 65.7 | 0 | 0 | 0 | 111.1 | Q631 Q632 I637 L638 D639 | Q631-L635 PolarHBondContact O-N 2.89Å; Q632-L635 PolarHBondContact O-N 3Å; L635-I637 VanDerWaalsContact C-N 3.33Å; L635-I637 PolarHBondContact O-N 3.16Å; L635-L638 PolarHBondContact O-N 2.86Å; L635-D639 PolarHBondContact O-N 3.21Å |
| 636 | L | 84.1 | Confident | 74.7 | Confident | 62 Ų | 62 | 71.5 Ų | 71.5 | 33% | 0.325 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 178.8 | -165.2 | 109.9 | 0 | 0 | 0 | 112.9 | I549 A619 Q632 L633 L634 Y640 | I549-L636 HydrophobicContact CD1-CD2 3.44Å; I549-L636 VanDerWaalsContact CD1-CD2 3.44Å; I549-L636 HydrophobicContact CG1-CD2 3.95Å; A619-L636 HydrophobicContact CB-CD1 3.48Å; A619-L636 VanDerWaalsContact CB-CD1 3.48Å; A619-L636 HydrophobicContact CB-CD2 3.63Å; A619-L636 HydrophobicContact CB-CG 4.21Å; Q632-L636 PolarHBondContact O-N 3.49Å; Q632-L636 VanDerWaalsContact O-N 3.09Å; L633-L636 PolarHBondContact O-N 3.01Å; L634-L636 VanDerWaalsContact C-N 3.35Å; L634-L636 PolarHBondContact O-N 3.39Å; L636-Y640 PolarHBondContact O-N 3.38Å |
| 637 | I | 81.4 | Confident | 73.1 | Confident | 5 Ų | 5 | 72.8 Ų | 72.8 | 3% | 0.026 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -71.9 | -39.7 | 178.1 | -68 | 164.7 | 0 | 0 | 0 | 111 | L398 L415 L419 F423 L633 L634 L635 Y640 L641 | L398-I637 HydrophobicContact CD2-CD1 3.6Å; L398-I637 HydrophobicContact CD2-CG1 4.07Å; L415-I637 HydrophobicContact CD1-CD1 3.65Å; L415-I637 HydrophobicContact CD2-CD1 3.64Å; L415-I637 HydrophobicContact CG-CD1 4.3Å; L419-I637 HydrophobicContact CD1-CG2 3.75Å; F423-I637 HydrophobicContact CE2-CG2 3.57Å; F423-I637 HydrophobicContact CZ-CG2 3.9Å; L633-I637 HydrophobicContact CD1-CD1 3.95Å; L633-I637 HydrophobicContact CD1-CG1 4.39Å; L633-I637 HydrophobicContact CG-CD1 3.94Å; L633-I637 WeakPolarHBondContact O-CD1 3.44Å; L633-I637 VanDerWaalsContact O-CG1 3.26Å; L633-I637 WeakPolarHBondContact O-CG1 3.33Å; L633-I637 PolarHBondContact O-N 2.76Å; L634-I637 PolarHBondContact O-N 3.25Å; L635-I637 VanDerWaalsContact C-N 3.33Å; L635-I637 PolarHBondContact O-N 3.16Å; I637-Y640 WeakPolarHBondContact O-CB 3.45Å; I637-Y640 PolarHBondContact O-N 2.82Å; I637-L641 HydrophobicContact CG2-CD1 4.1Å; I637-L641 HydrophobicContact CG2-CG 4.26Å; I637-L641 WeakPolarHBondContact O-CG 3.31Å; I637-L641 PolarHBondContact O-N 3.29Å |
| 638 | L | 77.4 | Confident | 71.2 | Confident | 69 Ų | 69 | 70.8 Ų | 70.8 | 36% | 0.361 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 177.5 | -75.2 | 174.1 | 0 | 0 | 0 | 111 | L419 L634 L635 Y640 L641 V642 | L419-L638 HydrophobicContact CD2-CD2 4.47Å; L634-L638 HydrophobicContact CD1-CD1 4.31Å; L634-L638 HydrophobicContact CD1-CG 4.3Å; L634-L638 HydrophobicContact CG-CD1 3.98Å; L634-L638 HydrophobicContact CG-CG 4.38Å; L634-L638 WeakPolarHBondContact O-CB 3.07Å; L634-L638 VanDerWaalsContact O-CG 3.29Å; L634-L638 WeakPolarHBondContact O-CG 3.26Å; L634-L638 PolarHBondContact O-N 3.28Å; L635-L638 PolarHBondContact O-N 2.86Å; L638-Y640 PolarHBondContact O-N 3.24Å; L638-L641 PolarHBondContact O-N 3.31Å; L638-L641 VanDerWaalsContact O-N 3.16Å; L638-V642 VanDerWaalsContact O-CB 3.31Å; L638-V642 WeakPolarHBondContact O-CB 3.19Å; L638-V642 WeakPolarHBondContact O-CG2 3.31Å; L638-V642 PolarHBondContact O-N 3.24Å |
| 639 | D | 72.2 | Confident | 69.4 | Low | 91 Ų | 91 | 70 Ų | 70 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -54 | -43.1 | 173.3 | -72.7 | -17.7 | 0 | 0 | 0 | 110.4 | L635 Y643 | L635-D639 PolarHBondContact O-N 3.21Å; D639-Y643 VanDerWaalsContact O-CD2 3.31Å; D639-Y643 WeakPolarHBondContact O-CD2 3.39Å; D639-Y643 PolarHBondContact O-N 2.93Å; D639-Y643 VanDerWaalsContact O-N 3.07Å |
| 640 | Y | 68.8 | Low | 67.4 | Low | 54 Ų | 54 | 73.3 Ų | 73.3 | 21% | 0.212 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.9 | -48.2 | 176.3 | 171.2 | -121 | 0 | 0 | 0 | 114.1 | R547 L636 I637 L638 V642 Y643 R644 | R547-Y640 VanDerWaalsContact CZ-CD2 3.45Å; R547-Y640 PolarHBondContact NE-OH 3.07Å; R547-Y640 PolarHBondContact NH2-OH 3.47Å; L636-Y640 PolarHBondContact O-N 3.38Å; I637-Y640 WeakPolarHBondContact O-CB 3.45Å; I637-Y640 PolarHBondContact O-N 2.82Å; L638-Y640 PolarHBondContact O-N 3.24Å; Y640-V642 VanDerWaalsContact C-N 3.32Å; Y640-V642 PolarHBondContact O-N 3.12Å; Y640-Y643 PolarHBondContact O-N 3.2Å; Y640-R644 PolarHBondContact O-N 3.39Å |
| 641 | L | 67.8 | Low | 65.6 | Low | 27 Ų | 27 | 77.9 Ų | 77.9 | 14% | 0.141 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.7 | -38.9 | -179.9 | -71.7 | 178.3 | 0 | 0 | 0 | 111.2 | L419 Y422 F423 I637 L638 R644 L645 | L419-L641 HydrophobicContact CD1-CD1 4.45Å; Y422-L641 HydrophobicContact CD1-CD2 4.32Å; Y422-L641 HydrophobicContact CD2-CD1 4.14Å; Y422-L641 HydrophobicContact CE2-CD1 4.5Å; Y422-L641 HydrophobicContact CG-CD1 4.22Å; F423-L641 HydrophobicContact CE2-CD1 4.22Å; I637-L641 HydrophobicContact CG2-CD1 4.1Å; I637-L641 HydrophobicContact CG2-CG 4.26Å; I637-L641 WeakPolarHBondContact O-CG 3.31Å; I637-L641 PolarHBondContact O-N 3.29Å; L638-L641 PolarHBondContact O-N 3.31Å; L638-L641 VanDerWaalsContact O-N 3.16Å; L641-R644 WeakPolarHBondContact O-CB 3.35Å; L641-R644 PolarHBondContact O-N 3.49Å; L641-R644 VanDerWaalsContact O-N 3.12Å; L641-L645 PolarHBondContact O-N 2.85Å |
| 642 | V | 59.6 | Low | 63.6 | Low | 72 Ų | 72 | 79 Ų | 79 | 44% | 0.436 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 177.5 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | L638 Y640 R644 L645 I646 | L638-V642 VanDerWaalsContact O-CB 3.31Å; L638-V642 WeakPolarHBondContact O-CB 3.19Å; L638-V642 WeakPolarHBondContact O-CG2 3.31Å; L638-V642 PolarHBondContact O-N 3.24Å; Y640-V642 VanDerWaalsContact C-N 3.32Å; Y640-V642 PolarHBondContact O-N 3.12Å; V642-R644 VanDerWaalsContact C-N 3.25Å; V642-R644 PolarHBondContact O-N 2.79Å; V642-L645 PolarHBondContact O-N 3.19Å; V642-I646 HydrophobicContact CG1-CD1 3.48Å; V642-I646 VanDerWaalsContact CG1-CD1 3.48Å; V642-I646 HydrophobicContact CG1-CG1 4.06Å; V642-I646 WeakPolarHBondContact O-CB 3.44Å; V642-I646 VanDerWaalsContact O-CG1 3.25Å; V642-I646 WeakPolarHBondContact O-CG1 3.25Å; V642-I646 PolarHBondContact O-N 3.31Å |
| 643 | Y | 52.8 | Low | 61.9 | Low | 169 Ų | 169 | 81.4 Ų | 81.4 | 66% | 0.663 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -56.4 | -41.6 | 171.9 | -97.3 | -80.3 | 0 | 0 | 0 | 111.8 | D639 Y640 C647 | D639-Y643 VanDerWaalsContact O-CD2 3.31Å; D639-Y643 WeakPolarHBondContact O-CD2 3.39Å; D639-Y643 PolarHBondContact O-N 2.93Å; D639-Y643 VanDerWaalsContact O-N 3.07Å; Y640-Y643 PolarHBondContact O-N 3.2Å; Y643-C647 VanDerWaalsContact O-CB 3.31Å; Y643-C647 WeakPolarHBondContact O-CB 3.4Å; Y643-C647 PolarHBondContact O-N 2.91Å; Y643-C647 PolarHBondContact O-SG 3.18Å |
| 644 | R | 51.8 | Low | 60 | Low | 126 Ų | 126 | 84.8 Ų | 84.8 | 48% | 0.475 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.5 | -39.8 | 178.4 | -143.9 | -178.1 | -170.4 | -163.2 | 2.8 | 112.3 | Y640 L641 V642 L648 | Y640-R644 PolarHBondContact O-N 3.39Å; L641-R644 WeakPolarHBondContact O-CB 3.35Å; L641-R644 PolarHBondContact O-N 3.49Å; L641-R644 VanDerWaalsContact O-N 3.12Å; V642-R644 VanDerWaalsContact C-N 3.25Å; V642-R644 PolarHBondContact O-N 2.79Å; R644-L648 WeakPolarHBondContact O-CB 3.46Å; R644-L648 PolarHBondContact O-N 2.94Å |
| 645 | L | 51.1 | Low | 57.7 | Low | 102 Ų | 102 | 91.1 Ų | 91.1 | 53% | 0.534 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.6 | -45.2 | 177.9 | -147.1 | 85.5 | 0 | 0 | 0 | 111 | L641 V642 L648 V649 | L641-L645 PolarHBondContact O-N 2.85Å; V642-L645 PolarHBondContact O-N 3.19Å; L645-L648 PolarHBondContact O-N 2.92Å; L645-V649 VanDerWaalsContact O-CG2 3.29Å; L645-V649 WeakPolarHBondContact O-CG2 3.44Å; L645-V649 PolarHBondContact O-N 3.28Å |
| 646 | I | 48.2 | Very low | 56.4 | Low | 88 Ų | 88 | 90.3 Ų | 90.3 | 45% | 0.451 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 175 | -69.1 | 170.9 | 0 | 0 | 0 | 109.9 | V642 L648 V649 L650 | V642-I646 HydrophobicContact CG1-CD1 3.48Å; V642-I646 VanDerWaalsContact CG1-CD1 3.48Å; V642-I646 HydrophobicContact CG1-CG1 4.06Å; V642-I646 WeakPolarHBondContact O-CB 3.44Å; V642-I646 VanDerWaalsContact O-CG1 3.25Å; V642-I646 WeakPolarHBondContact O-CG1 3.25Å; V642-I646 PolarHBondContact O-N 3.31Å; I646-L648 VanDerWaalsContact C-N 3.33Å; I646-L648 PolarHBondContact O-N 2.83Å; I646-V649 PolarHBondContact O-N 2.94Å; I646-L650 HydrophobicContact CG2-CD1 3.73Å; I646-L650 HydrophobicContact CG2-CG 4.17Å; I646-L650 WeakPolarHBondContact O-CB 3.17Å; I646-L650 VanDerWaalsContact O-CG 3.28Å; I646-L650 WeakPolarHBondContact O-CG 3.41Å; I646-L650 PolarHBondContact O-N 2.96Å |
| 647 | C | 46.3 | Very low | 54.9 | Low | 61 Ų | 61 | 91.7 Ų | 91.7 | 41% | 0.412 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 176.1 | -74.2 | 0 | 0 | 0 | 0 | 112.1 | Y643 L650 I651 | Y643-C647 VanDerWaalsContact O-CB 3.31Å; Y643-C647 WeakPolarHBondContact O-CB 3.4Å; Y643-C647 PolarHBondContact O-N 2.91Å; Y643-C647 PolarHBondContact O-SG 3.18Å; C647-L650 PolarHBondContact O-N 3.41Å; C647-I651 WeakPolarHBondContact O-CB 3.31Å; C647-I651 WeakPolarHBondContact O-CD1 3.28Å; C647-I651 WeakPolarHBondContact O-CG1 3.29Å; C647-I651 PolarHBondContact O-N 3.41Å |
| 648 | L | 46.4 | Very low | 53.4 | Low | 95 Ų | 95 | 96.6 Ų | 96.6 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 175.9 | -89.3 | 159 | 0 | 0 | 0 | 112.2 | R644 L645 I646 Q652 | R644-L648 WeakPolarHBondContact O-CB 3.46Å; R644-L648 PolarHBondContact O-N 2.94Å; L645-L648 PolarHBondContact O-N 2.92Å; I646-L648 VanDerWaalsContact C-N 3.33Å; I646-L648 PolarHBondContact O-N 2.83Å; L648-Q652 WeakPolarHBondContact O-CB 3.44Å; L648-Q652 WeakPolarHBondContact O-CG 3.35Å; L648-Q652 PolarHBondContact O-N 2.97Å |
| 649 | V | 47 | Very low | 52 | Low | 67 Ų | 67 | 98.2 Ų | 98.2 | 41% | 0.406 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 177.7 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | L645 I646 Q652 N653 | L645-V649 VanDerWaalsContact O-CG2 3.29Å; L645-V649 WeakPolarHBondContact O-CG2 3.44Å; L645-V649 PolarHBondContact O-N 3.28Å; I646-V649 PolarHBondContact O-N 2.94Å; V649-Q652 PolarHBondContact O-N 3.18Å; V649-N653 WeakPolarHBondContact CG1-ND2 3.46Å; V649-N653 WeakPolarHBondContact O-CB 3.41Å; V649-N653 VanDerWaalsContact O-CG 3.27Å; V649-N653 PolarHBondContact O-N 3Å; V649-N653 PolarHBondContact O-ND2 3.44Å; V649-N653 VanDerWaalsContact O-ND2 3.12Å |
| 650 | L | 44.3 | Very low | 50.8 | Low | 73 Ų | 73 | 98.6 Ų | 98.6 | 38% | 0.382 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 176 | -70.2 | 171.3 | 0 | 0 | 0 | 111.2 | I646 C647 Q652 N653 G654 L655 | I646-L650 HydrophobicContact CG2-CD1 3.73Å; I646-L650 HydrophobicContact CG2-CG 4.17Å; I646-L650 WeakPolarHBondContact O-CB 3.17Å; I646-L650 VanDerWaalsContact O-CG 3.28Å; I646-L650 WeakPolarHBondContact O-CG 3.41Å; I646-L650 PolarHBondContact O-N 2.96Å; C647-L650 PolarHBondContact O-N 3.41Å; L650-Q652 PolarHBondContact O-N 3.12Å; L650-N653 CarbonylContact O-C 3.31Å; L650-N653 PolarHBondContact O-N 3.47Å; L650-G654 PolarHBondContact O-N 3.21Å; L650-G654 VanDerWaalsContact O-N 3.07Å; L650-L655 HydrophobicContact CB-CB 4.3Å; L650-L655 HydrophobicContact CD2-CB 3.78Å; L650-L655 HydrophobicContact CD2-CD1 3.61Å; L650-L655 HydrophobicContact CD2-CG 4.35Å; L650-L655 PolarHBondContact O-N 3.07Å |
| 651 | I | 48.2 | Very low | 49.6 | Very low | 129 Ų | 129 | 101.6 Ų | 101.6 | 66% | 0.662 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.2 | -43.6 | 177.1 | -67.8 | 164.7 | 0 | 0 | 0 | 111.2 | C647 N653 G654 | C647-I651 WeakPolarHBondContact O-CB 3.31Å; C647-I651 WeakPolarHBondContact O-CD1 3.28Å; C647-I651 WeakPolarHBondContact O-CG1 3.29Å; C647-I651 PolarHBondContact O-N 3.41Å; I651-N653 VanDerWaalsContact C-N 3.27Å; I651-N653 PolarHBondContact O-N 3.4Å; I651-G654 PolarHBondContact O-N 3.19Å |
| 652 | Q | 46.5 | Very low | 48.2 | Very low | 159 Ų | 159 | 106.9 Ų | 106.9 | 74% | 0.743 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.1 | -30.9 | 177 | -81.9 | -175.1 | -26.1 | 0 | 0 | 113 | L648 V649 L650 G654 | L648-Q652 WeakPolarHBondContact O-CB 3.44Å; L648-Q652 WeakPolarHBondContact O-CG 3.35Å; L648-Q652 PolarHBondContact O-N 2.97Å; V649-Q652 PolarHBondContact O-N 3.18Å; L650-Q652 PolarHBondContact O-N 3.12Å; Q652-G654 VanDerWaalsContact C-N 3.32Å |
| 653 | N | 50.4 | Low | 47.4 | Very low | 112 Ų | 112 | 109.6 Ų | 109.6 | 60% | 0.599 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 1.5 | 177.1 | -69.1 | -30.8 | 0 | 0 | 0 | 113.5 | V649 L650 I651 L655 | V649-N653 WeakPolarHBondContact CG1-ND2 3.46Å; V649-N653 WeakPolarHBondContact O-CB 3.41Å; V649-N653 VanDerWaalsContact O-CG 3.27Å; V649-N653 PolarHBondContact O-N 3Å; V649-N653 PolarHBondContact O-ND2 3.44Å; V649-N653 VanDerWaalsContact O-ND2 3.12Å; L650-N653 CarbonylContact O-C 3.31Å; L650-N653 PolarHBondContact O-N 3.47Å; I651-N653 VanDerWaalsContact C-N 3.27Å; I651-N653 PolarHBondContact O-N 3.4Å; N653-L655 VanDerWaalsContact C-N 3.27Å; N653-L655 HydrophobicContact CB-CD1 4.13Å; N653-L655 HydrophobicContact CB-CG 4.4Å; N653-L655 PolarHBondContact O-N 3.4Å |
| 654 | G | 45.3 | Very low | 46.9 | Very low | 71 Ų | 71 | 104.7 Ų | 104.7 | 73% | 0.732 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.4 | 26.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | L650 I651 Q652 | L650-G654 PolarHBondContact O-N 3.21Å; L650-G654 VanDerWaalsContact O-N 3.07Å; I651-G654 PolarHBondContact O-N 3.19Å; Q652-G654 VanDerWaalsContact C-N 3.32Å |
| 655 | L | 37.6 | Very low | 46.5 | Very low | 173 Ų | 173 | 102.7 Ų | 102.7 | 91% | 0.906 | 58% | 0.575 | S | S | * | * | trans | -88.7 | 0 | 179 | -77.9 | 165.4 | 0 | 0 | 0 | 113.1 | L650 N653 | L650-L655 HydrophobicContact CB-CB 4.3Å; L650-L655 HydrophobicContact CD2-CB 3.78Å; L650-L655 HydrophobicContact CD2-CD1 3.61Å; L650-L655 HydrophobicContact CD2-CG 4.35Å; L650-L655 PolarHBondContact O-N 3.07Å; N653-L655 VanDerWaalsContact C-N 3.27Å; N653-L655 HydrophobicContact CB-CD1 4.13Å; N653-L655 HydrophobicContact CB-CG 4.4Å; N653-L655 PolarHBondContact O-N 3.4Å |
Retrieved 655 of 655 residues in 692.5 ms
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