| 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 | 22.3 | Very low | 29.6 | Very low | 245 Ų | 245 | 160.6 Ų | 160.6 | 100% | 1.207 | 86% | 0.861 | S | S | * | * | 0 | 111.6 | 0 | -76.9 | -174.8 | 158.1 | 0 | 0 | 105.7 | |||||
| 2 | V | 27.2 | Very low | 30.5 | Very low | 148 Ų | 148 | 163.3 Ų | 163.3 | 90% | 0.897 | 86% | 0.864 | S | S | * | * | -133.3 | 127 | 74.7 | 171.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 3 | A | 26.6 | Very low | 32 | Very low | 82 Ų | 82 | 155 Ų | 155 | 68% | 0.678 | 83% | 0.828 | S | S | * | * | trans | -75.1 | 159.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 4 | V | 26.2 | Very low | 34.5 | Very low | 139 Ų | 139 | 148.6 Ų | 148.6 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | 147.3 | 140.3 | 149.3 | 164.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 5 | P | 36.7 | Very low | 37.3 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | -120.6 | 175.3 | -73.1 | 33.5 | -11.1 | 0 | 0 | 0 | 111.7 | E7 | P5-E7 PolarHBondContact O-N 2.88Š| |||
| 6 | I | 30.4 | Very low | 40 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 81% | 0.805 | 72% | 0.723 | S | S | * | * | trans | -67.5 | 116.2 | 179 | -62 | 157.4 | 0 | 0 | 0 | 110 | T8 | I6-T8 HydrophobicContact CG2-CG2 4.25Š| ||
| 7 | E | 25.5 | Very low | 42.2 | Very low | 186 Ų | 186 | 131.4 Ų | 131.4 | 87% | 0.869 | 71% | 0.706 | S | S | * | * | trans | -111.5 | 117.6 | 156.5 | -80.3 | -175 | 168.5 | 0 | 0 | 108 | P5 E9 | P5-E7 PolarHBondContact O-N 2.88Å; E7-E9 PolarHBondContact O-N 3.19Å | ||
| 8 | T | 34 | Very low | 44.4 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | trans | -74.8 | 106.2 | 179.2 | 43.6 | 0 | 0 | 0 | 0 | 110.1 | I6 | I6-T8 HydrophobicContact CG2-CG2 4.25Š| ||
| 9 | E | 26.9 | Very low | 46.4 | Very low | 186 Ų | 186 | 121.7 Ų | 121.7 | 87% | 0.869 | 65% | 0.649 | S | S | * | * | trans | -138.1 | 114.1 | 159.2 | -73 | -167.1 | 158.9 | 0 | 0 | 109.5 | E7 | E7-E9 PolarHBondContact O-N 3.19Š| ||
| 10 | E | 33.7 | Very low | 48.1 | Very low | 188 Ų | 188 | 120.8 Ų | 120.8 | 88% | 0.879 | 64% | 0.64 | S | S | * | * | trans | 17.4 | 101.9 | 165.6 | -59.8 | -178.2 | 166.7 | 0 | 0 | 117.6 | E12 | E10-E12 PolarHBondContact O-N 3.13Š| ||
| 11 | E | 36.5 | Very low | 49.6 | Very low | 197 Ų | 197 | 121.2 Ų | 121.2 | 92% | 0.921 | 64% | 0.642 | S | S | * | * | trans | -51.8 | 104.1 | 171.8 | -72.2 | -179.7 | 164 | 0 | 0 | 110.8 | S13 | E11-S13 PolarHBondContact O-N 2.64Š| ||
| 12 | E | 40.1 | Very low | 52.4 | Low | 192 Ų | 192 | 111.9 Ų | 111.9 | 90% | 0.897 | 60% | 0.599 | S | S | * | * | trans | -56.6 | 101.9 | 164 | -79.4 | -171.5 | 152.4 | 0 | 0 | 108 | E10 S14 | E10-E12 PolarHBondContact O-N 3.13Å; E12-S14 PolarHBondContact O-N 3.17Å; E12-S14 VanDerWaalsContact O-N 3.11Å | ||
| 13 | S | 49.5 | Very low | 55.1 | Low | 56 Ų | 56 | 105.9 Ų | 105.9 | 39% | 0.392 | 57% | 0.567 | S | S | . | * | trans | -53.3 | 120.7 | 174.8 | 56 | 0 | 0 | 0 | 0 | 109.2 | E11 K18 | E11-S13 PolarHBondContact O-N 2.64Å; S13-K18 VanDerWaalsContact O-CE 3.32Å; S13-K18 WeakPolarHBondContact O-CE 3.44Å; S13-K18 VanDerWaalsContact OG-CE 3.26Å; S13-K18 WeakPolarHBondContact OG-CE 3.28Å | ||
| 14 | S | 67.5 | Low | 57.8 | Low | 66 Ų | 66 | 103.3 Ų | 103.3 | 46% | 0.462 | 54% | 0.544 | S | S | . | . | trans | -57.5 | 150.7 | -179.6 | 94.3 | 0 | 0 | 0 | 0 | 110.7 | E12 L16 Q17 K18 | E12-S14 PolarHBondContact O-N 3.17Å; E12-S14 VanDerWaalsContact O-N 3.11Å; S14-L16 PolarHBondContact O-N 3.22Å; S14-Q17 WeakPolarHBondContact O-CA 3.45Å; S14-Q17 WeakPolarHBondContact O-CB 3.39Å; S14-Q17 PolarHBondContact O-N 3.19Å; S14-K18 PolarHBondContact O-N 3.04Å; S14-K18 VanDerWaalsContact O-N 3.07Å | ||
| 15 | V | 77 | Confident | 60.5 | Low | 35 Ų | 35 | 99.8 Ų | 99.8 | 21% | 0.212 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -51.8 | -40.5 | -179 | 175.8 | 0 | 0 | 0 | 0 | 111.6 | Q17 K18 I19 L42 L45 I53 | V15-Q17 VanDerWaalsContact C-N 3.32Å; V15-Q17 PolarHBondContact O-N 2.99Å; V15-K18 PolarHBondContact O-N 3.41Å; V15-I19 HydrophobicContact CG1-CD1 4.27Å; V15-I19 PolarHBondContact O-N 2.85Å; V15-L42 HydrophobicContact CG1-CD2 3.31Å; V15-L42 HydrophobicContact CG1-CG 4.11Å; V15-L45 HydrophobicContact CG1-CD2 3.93Å; V15-I53 HydrophobicContact CG1-CD1 4.46Å |
| 16 | L | 80.7 | Confident | 62.7 | Low | 26 Ų | 26 | 94.5 Ų | 94.5 | 14% | 0.136 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -58 | -42.3 | 174.5 | -175.2 | 69.5 | 0 | 0 | 0 | 112.3 | S14 I19 K20 E52 I53 M56 | S14-L16 PolarHBondContact O-N 3.22Å; L16-I19 PolarHBondContact O-N 2.84Å; L16-K20 WeakPolarHBondContact O-CB 3.16Å; L16-K20 PolarHBondContact O-N 3.36Å; L16-E52 HydrophobicContact CD2-CB 4.5Å; L16-I53 HydrophobicContact CD1-CB 4.43Å; L16-I53 HydrophobicContact CD1-CG1 3.85Å; L16-M56 HydrophobicContact CD1-CB 4.14Å; L16-M56 HydrophobicContact CD1-CE 4.23Å; L16-M56 HydrophobicContact CD1-CG 4.42Å |
| 17 | Q | 77 | Confident | 65.5 | Low | 92 Ų | 92 | 87 Ų | 87 | 43% | 0.43 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.7 | -38.2 | 179.7 | -148.1 | 72.7 | -19.4 | 0 | 0 | 111.6 | S14 V15 K20 N21 | S14-Q17 WeakPolarHBondContact O-CA 3.45Å; S14-Q17 WeakPolarHBondContact O-CB 3.39Å; S14-Q17 PolarHBondContact O-N 3.19Å; V15-Q17 VanDerWaalsContact C-N 3.32Å; V15-Q17 PolarHBondContact O-N 2.99Å; Q17-K20 PolarHBondContact O-N 3.39Å; Q17-N21 WeakPolarHBondContact O-CB 3.17Å; Q17-N21 PolarHBondContact O-N 3.18Å; Q17-N21 PolarHBondContact O-ND2 2.94Å; Q17-N21 PolarHBondContact O-OD1 3.01Å |
| 18 | K | 80.9 | Confident | 68.1 | Low | 78 Ų | 78 | 86 Ų | 86 | 34% | 0.339 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 173.8 | -61.9 | 179.7 | -177.5 | 173.5 | 0 | 111.4 | S13 S14 V15 N21 V22 I40 | S13-K18 VanDerWaalsContact O-CE 3.32Å; S13-K18 WeakPolarHBondContact O-CE 3.44Å; S13-K18 VanDerWaalsContact OG-CE 3.26Å; S13-K18 WeakPolarHBondContact OG-CE 3.28Å; S14-K18 PolarHBondContact O-N 3.04Å; S14-K18 VanDerWaalsContact O-N 3.07Å; V15-K18 PolarHBondContact O-N 3.41Å; K18-N21 PolarHBondContact O-N 3.43Å; K18-V22 WeakPolarHBondContact O-CG2 3.37Å; K18-V22 PolarHBondContact O-N 3.28Å; K18-I40 HydrophobicContact CB-CG2 3.47Å; K18-I40 VanDerWaalsContact CB-CG2 3.47Å; K18-I40 HydrophobicContact CD-CG2 3.53Å; K18-I40 HydrophobicContact CG-CG2 4.09Å |
| 19 | I | 82.9 | Confident | 70.7 | Confident | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 176.3 | -66.8 | 171.5 | 0 | 0 | 0 | 111 | V15 L16 N21 V22 G23 F26 L42 I53 M56 M57 W83 | V15-I19 HydrophobicContact CG1-CD1 4.27Å; V15-I19 PolarHBondContact O-N 2.85Å; L16-I19 PolarHBondContact O-N 2.84Å; I19-N21 VanDerWaalsContact C-N 3.27Å; I19-N21 PolarHBondContact O-N 3.43Å; I19-V22 PolarHBondContact O-N 3.14Å; I19-V22 VanDerWaalsContact O-N 3.14Å; I19-G23 PolarHBondContact O-N 2.8Å; I19-G23 VanDerWaalsContact O-N 3.11Å; I19-F26 HydrophobicContact CD1-CE1 4.32Å; I19-F26 HydrophobicContact CD1-CZ 4.37Å; I19-F26 HydrophobicContact CG1-CE1 4.42Å; I19-F26 HydrophobicContact CG1-CZ 4.31Å; I19-F26 HydrophobicContact CG2-CD1 4Å; I19-F26 HydrophobicContact CG2-CE1 4.32Å; I19-F26 HydrophobicContact CG2-CG 4.28Å; I19-L42 HydrophobicContact CD1-CD1 4.17Å; I19-L42 HydrophobicContact CD1-CD2 4.24Å; I19-L42 HydrophobicContact CG1-CD1 4.16Å; I19-I53 HydrophobicContact CD1-CD1 3.55Å; I19-I53 HydrophobicContact CD1-CG1 3.99Å; I19-I53 HydrophobicContact CD1-CG2 4.26Å; I19-M56 HydrophobicContact CG2-CE 4.15Å; I19-M57 HydrophobicContact CG2-CE 4.22Å; I19-W83 HydrophobicContact CG2-CH2 3.87Å; I19-W83 HydrophobicContact CG2-CZ3 3.95Å |
| 20 | K | 79.7 | Confident | 73.5 | Confident | 104 Ų | 104 | 76.2 Ų | 76.2 | 45% | 0.452 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57 | -39.8 | 174.6 | -85.6 | -177.5 | 177.4 | 174.7 | 0 | 112.4 | L16 Q17 V22 G23 M56 | L16-K20 WeakPolarHBondContact O-CB 3.16Å; L16-K20 PolarHBondContact O-N 3.36Å; Q17-K20 PolarHBondContact O-N 3.39Å; K20-V22 VanDerWaalsContact C-N 3.31Å; K20-V22 PolarHBondContact O-N 2.96Å; K20-G23 PolarHBondContact O-N 2.99Å; K20-G23 VanDerWaalsContact O-N 3.17Å; K20-M56 HydrophobicContact CG-CG 4.47Å; K20-M56 HydrophobicContact CG-SD 4.46Å |
| 21 | N | 80.2 | Confident | 76 | Confident | 129 Ų | 129 | 72.5 Ų | 72.5 | 69% | 0.69 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -67.2 | -29.4 | 178.9 | -70.1 | -16.2 | 0 | 0 | 0 | 113.2 | Q17 K18 I19 | Q17-N21 WeakPolarHBondContact O-CB 3.17Å; Q17-N21 PolarHBondContact O-N 3.18Å; Q17-N21 PolarHBondContact O-ND2 2.94Å; Q17-N21 PolarHBondContact O-OD1 3.01Å; K18-N21 PolarHBondContact O-N 3.43Å; I19-N21 VanDerWaalsContact C-N 3.27Å; I19-N21 PolarHBondContact O-N 3.43Å |
| 22 | V | 82.3 | Confident | 78.3 | Confident | 50 Ų | 50 | 63.7 Ų | 63.7 | 30% | 0.303 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -76.5 | -28.8 | 173.4 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | K18 I19 K20 F26 L36 I40 | K18-V22 WeakPolarHBondContact O-CG2 3.37Å; K18-V22 PolarHBondContact O-N 3.28Å; I19-V22 PolarHBondContact O-N 3.14Å; I19-V22 VanDerWaalsContact O-N 3.14Å; K20-V22 VanDerWaalsContact C-N 3.31Å; K20-V22 PolarHBondContact O-N 2.96Å; V22-F26 HydrophobicContact CG1-CB 3.99Å; V22-F26 HydrophobicContact CG1-CD2 4.31Å; V22-L36 HydrophobicContact CG1-CD1 4Å; V22-L36 HydrophobicContact CG1-CD2 4.26Å; V22-I40 HydrophobicContact CG2-CD1 3.67Å; V22-I40 HydrophobicContact CG2-CG1 4.28Å |
| 23 | G | 83.1 | Confident | 80.5 | Confident | 21 Ų | 21 | 54.5 Ų | 54.5 | 22% | 0.216 | 30% | 0.296 | C | S | . | . | trans | 72.6 | -169.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I19 K20 V25 F26 W83 | I19-G23 PolarHBondContact O-N 2.8Å; I19-G23 VanDerWaalsContact O-N 3.11Å; K20-G23 PolarHBondContact O-N 2.99Å; K20-G23 VanDerWaalsContact O-N 3.17Å; G23-V25 PolarHBondContact O-N 3.13Å; G23-F26 VanDerWaalsContact O-CB 3.29Å; G23-F26 WeakPolarHBondContact O-CB 3.28Å; G23-F26 PolarHBondContact O-N 3.48Å; G23-W83 VanDerWaalsContact C-CH2 3.43Å; G23-W83 WeakPolarHBondContact O-CH2 3.41Å | ||
| 24 | C | 82.5 | Confident | 82.3 | Confident | 29 Ų | 29 | 53 Ų | 53 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -57.6 | -23.7 | -171.6 | -56.6 | 0 | 0 | 0 | 0 | 114.2 | F26 T27 E81 | C24-F26 PolarHBondContact O-N 3.36Å; C24-F26 VanDerWaalsContact O-N 3.08Å; C24-T27 PolarHBondContact O-N 2.76Å; C24-T27 PolarHBondContact O-OG1 3.19Å; C24-T27 VanDerWaalsContact O-OG1 3.09Å; C24-E81 HydrophobicContact CB-CB 4.08Å; C24-E81 WeakPolarHBondContact CB-O 3.36Å; C24-E81 PolarHBondContact SG-O 3.22Å |
| 25 | V | 82.9 | Confident | 83.2 | Confident | 64 Ų | 64 | 56.9 Ų | 56.9 | 39% | 0.388 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -52.8 | -30 | 174.4 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | G23 T27 R28 E81 | G23-V25 PolarHBondContact O-N 3.13Å; V25-T27 PolarHBondContact O-N 3.31Å; V25-R28 WeakPolarHBondContact O-CB 3.44Å; V25-R28 PolarHBondContact O-N 3.29Å; V25-E81 WeakPolarHBondContact CG2-OE2 3.37Å |
| 26 | F | 84.3 | Confident | 83.6 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -54.5 | -34.4 | 175 | -172.5 | -101.9 | 0 | 0 | 0 | 113.1 | I19 V22 G23 C24 C33 L36 A37 I40 L42 M57 W83 F88 | I19-F26 HydrophobicContact CD1-CE1 4.32Å; I19-F26 HydrophobicContact CD1-CZ 4.37Å; I19-F26 HydrophobicContact CG1-CE1 4.42Å; I19-F26 HydrophobicContact CG1-CZ 4.31Å; I19-F26 HydrophobicContact CG2-CD1 4Å; I19-F26 HydrophobicContact CG2-CE1 4.32Å; I19-F26 HydrophobicContact CG2-CG 4.28Å; V22-F26 HydrophobicContact CG1-CB 3.99Å; V22-F26 HydrophobicContact CG1-CD2 4.31Å; G23-F26 VanDerWaalsContact O-CB 3.29Å; G23-F26 WeakPolarHBondContact O-CB 3.28Å; G23-F26 PolarHBondContact O-N 3.48Å; C24-F26 PolarHBondContact O-N 3.36Å; C24-F26 VanDerWaalsContact O-N 3.08Å; F26-C33 WeakPolarHBondContact CE1-SG 3.44Å; F26-C33 WeakPolarHBondContact O-CA 3.35Å; F26-C33 WeakPolarHBondContact O-CB 3.33Å; F26-C33 PolarHBondContact O-SG 3.49Å; F26-L36 HydrophobicContact CD2-CB 3.64Å; F26-L36 HydrophobicContact CD2-CD1 4.31Å; F26-L36 HydrophobicContact CE2-CB 3.86Å; F26-A37 HydrophobicContact CE2-CB 4.22Å; F26-A37 HydrophobicContact CZ-CB 4.07Å; F26-I40 HydrophobicContact CD2-CD1 4.06Å; F26-I40 HydrophobicContact CE2-CD1 3.82Å; F26-L42 HydrophobicContact CE2-CD1 4.26Å; F26-L42 HydrophobicContact CZ-CD1 4.05Å; F26-M57 HydrophobicContact CD1-CE 4.09Å; F26-M57 HydrophobicContact CE1-CE 4.39Å; F26-W83 HydrophobicContact CB-CZ3 4.17Å; F26-F88 AromaticContact CE1-CD2 3.79Å; F26-F88 HydrophobicContact CE1-CD2 3.79Å; F26-F88 AromaticContact CE1-CE2 3.91Å; F26-F88 HydrophobicContact CE1-CE2 3.91Å |
| 27 | T | 87.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -105 | 13 | -176.5 | 58.2 | 0 | 0 | 0 | 0 | 114.1 | C24 V25 N29 M57 W83 H84 V87 F88 | C24-T27 PolarHBondContact O-N 2.76Å; C24-T27 PolarHBondContact O-OG1 3.19Å; C24-T27 VanDerWaalsContact O-OG1 3.09Å; V25-T27 PolarHBondContact O-N 3.31Å; T27-N29 VanDerWaalsContact C-N 3.34Å; T27-N29 PolarHBondContact O-N 3.32Å; T27-M57 HydrophobicContact CG2-CE 3.55Å; T27-M57 HydrophobicContact CG2-SD 3.9Å; T27-W83 HydrophobicContact CG2-CE3 3.91Å; T27-W83 HydrophobicContact CG2-CZ3 4.27Å; T27-H84 PolarHBondContact OG1-N 3.19Å; T27-V87 WeakPolarHBondContact O-CB 3.22Å; T27-V87 WeakPolarHBondContact O-CG1 3.39Å; T27-F88 HydrophobicContact CG2-CB 4.08Å |
| 28 | R | 81.5 | Confident | 83.8 | Confident | 164 Ų | 164 | 59.8 Ų | 59.8 | 62% | 0.619 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -58.3 | -40.9 | -175.1 | -176.3 | 174.8 | 176.8 | 171.6 | 1.4 | 113.9 | V25 | V25-R28 WeakPolarHBondContact O-CB 3.44Å; V25-R28 PolarHBondContact O-N 3.29Å |
| 29 | N | 87.2 | Confident | 83.8 | Confident | 71 Ų | 71 | 62.1 Ų | 62.1 | 38% | 0.38 | 30% | 0.303 | S | S | . | . | trans | -158.9 | 164.6 | 170.7 | 60.5 | 54.9 | 0 | 0 | 0 | 109.5 | T27 T31 A32 C33 | T27-N29 VanDerWaalsContact C-N 3.34Å; T27-N29 PolarHBondContact O-N 3.32Å; N29-T31 VanDerWaalsContact C-N 3.27Å; N29-T31 PolarHBondContact O-N 3.18Å; N29-T31 PolarHBondContact OD1-N 2.95Å; N29-A32 PolarHBondContact O-N 3.43Å; N29-A32 VanDerWaalsContact OD1-CB 3.27Å; N29-A32 WeakPolarHBondContact OD1-CB 3.3Å; N29-A32 PolarHBondContact OD1-N 3.17Å; N29-C33 WeakPolarHBondContact O-CB 3.35Å; N29-C33 PolarHBondContact O-N 2.89Å | ||
| 30 | V | 86.9 | Confident | 83.7 | Confident | 37 Ų | 37 | 63.8 Ų | 63.8 | 22% | 0.224 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.5 | -40.9 | -174.4 | 178.8 | 0 | 0 | 0 | 0 | 111 | C33 L34 V87 K90 A91 | V30-C33 PolarHBondContact O-N 3.43Å; V30-L34 HydrophobicContact CG1-CD1 3.83Å; V30-L34 HydrophobicContact CG1-CG 4.37Å; V30-L34 VanDerWaalsContact O-CG 3.25Å; V30-L34 WeakPolarHBondContact O-CG 3.26Å; V30-L34 PolarHBondContact O-N 2.9Å; V30-V87 HydrophobicContact CG2-CG1 3.98Å; V30-V87 VanDerWaalsContact N-CG1 3.35Å; V30-K90 HydrophobicContact CG2-CB 3.83Å; V30-K90 HydrophobicContact CG2-CD 4.4Å; V30-A91 HydrophobicContact CG1-CB 4.2Å |
| 31 | T | 85.8 | Confident | 83.5 | Confident | 110 Ų | 110 | 61.5 Ų | 61.5 | 68% | 0.675 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.3 | -41.9 | -179.5 | -35.4 | 0 | 0 | 0 | 0 | 112.8 | N29 R35 | N29-T31 VanDerWaalsContact C-N 3.27Å; N29-T31 PolarHBondContact O-N 3.18Å; N29-T31 PolarHBondContact OD1-N 2.95Å; T31-R35 WeakPolarHBondContact O-CB 3.49Å; T31-R35 PolarHBondContact O-N 2.88Å |
| 32 | A | 84.2 | Confident | 83.2 | Confident | 12 Ų | 12 | 56 Ų | 56 | 10% | 0.099 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | N29 R35 L36 | N29-A32 PolarHBondContact O-N 3.43Å; N29-A32 VanDerWaalsContact OD1-CB 3.27Å; N29-A32 WeakPolarHBondContact OD1-CB 3.3Å; N29-A32 PolarHBondContact OD1-N 3.17Å; A32-R35 PolarHBondContact O-N 3.41Å; A32-L36 WeakPolarHBondContact O-CB 3.03Å; A32-L36 WeakPolarHBondContact O-CG 3.38Å; A32-L36 PolarHBondContact O-N 2.8Å |
| 33 | C | 87.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.5 | -48.6 | 176.3 | -168.2 | 0 | 0 | 0 | 0 | 111.3 | F26 N29 V30 R35 L36 A37 A91 | F26-C33 WeakPolarHBondContact CE1-SG 3.44Å; F26-C33 WeakPolarHBondContact O-CA 3.35Å; F26-C33 WeakPolarHBondContact O-CB 3.33Å; F26-C33 PolarHBondContact O-SG 3.49Å; N29-C33 WeakPolarHBondContact O-CB 3.35Å; N29-C33 PolarHBondContact O-N 2.89Å; V30-C33 PolarHBondContact O-N 3.43Å; C33-R35 PolarHBondContact O-N 3.47Å; C33-L36 PolarHBondContact O-N 3.19Å; C33-A37 WeakPolarHBondContact O-CB 3.46Å; C33-A37 PolarHBondContact O-N 3.15Å; C33-A91 HydrophobicContact CB-CB 3.9Å |
| 34 | L | 85.9 | Confident | 82.1 | Confident | 23 Ų | 23 | 66.7 Ų | 66.7 | 12% | 0.12 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 176.4 | -69.6 | 165.7 | 0 | 0 | 0 | 113 | V30 R38 A91 Q94 I95 | V30-L34 HydrophobicContact CG1-CD1 3.83Å; V30-L34 HydrophobicContact CG1-CG 4.37Å; V30-L34 VanDerWaalsContact O-CG 3.25Å; V30-L34 WeakPolarHBondContact O-CG 3.26Å; V30-L34 PolarHBondContact O-N 2.9Å; L34-R38 PolarHBondContact O-N 3.46Å; L34-R38 VanDerWaalsContact O-N 3.11Å; L34-A91 HydrophobicContact CD2-CB 4.14Å; L34-A91 HydrophobicContact CG-CB 4.13Å; L34-Q94 HydrophobicContact CD2-CB 4Å; L34-I95 HydrophobicContact CD2-CD1 4Å; L34-I95 HydrophobicContact CD2-CG1 3.6Å |
| 35 | R | 86.4 | Confident | 82 | Confident | 149 Ų | 149 | 65.8 Ų | 65.8 | 56% | 0.562 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.5 | -50.7 | 177.9 | -179 | -175.7 | 60.3 | 164.7 | 1.5 | 111.2 | T31 A32 C33 A37 R38 E39 | T31-R35 WeakPolarHBondContact O-CB 3.49Å; T31-R35 PolarHBondContact O-N 2.88Å; A32-R35 PolarHBondContact O-N 3.41Å; C33-R35 PolarHBondContact O-N 3.47Å; R35-A37 VanDerWaalsContact C-N 3.32Å; R35-A37 PolarHBondContact O-N 3.39Å; R35-R38 PolarHBondContact O-N 3.39Å; R35-E39 WeakPolarHBondContact CG-OE1 3.34Å; R35-E39 WeakPolarHBondContact O-CG 3.44Å; R35-E39 PolarHBondContact O-N 3.3Å |
| 36 | L | 85.2 | Confident | 82.1 | Confident | 22 Ų | 22 | 66.4 Ų | 66.4 | 12% | 0.115 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 179.4 | -70.6 | 165.3 | 0 | 0 | 0 | 111 | V22 F26 A32 C33 R38 E39 I40 | V22-L36 HydrophobicContact CG1-CD1 4Å; V22-L36 HydrophobicContact CG1-CD2 4.26Å; F26-L36 HydrophobicContact CD2-CB 3.64Å; F26-L36 HydrophobicContact CD2-CD1 4.31Å; F26-L36 HydrophobicContact CE2-CB 3.86Å; A32-L36 WeakPolarHBondContact O-CB 3.03Å; A32-L36 WeakPolarHBondContact O-CG 3.38Å; A32-L36 PolarHBondContact O-N 2.8Å; C33-L36 PolarHBondContact O-N 3.19Å; L36-R38 VanDerWaalsContact C-N 3.32Å; L36-R38 PolarHBondContact O-N 3.27Å; L36-E39 PolarHBondContact O-N 3.45Å; L36-E39 VanDerWaalsContact O-N 3.16Å; L36-I40 VanDerWaalsContact O-CD1 3.26Å; L36-I40 WeakPolarHBondContact O-CD1 3.48Å; L36-I40 WeakPolarHBondContact O-CG1 3.47Å; L36-I40 PolarHBondContact O-N 3.35Å |
| 37 | A | 83.4 | Confident | 82.3 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 2% | 0.017 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.6 | -45.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F26 C33 R35 I40 G41 L42 I95 | F26-A37 HydrophobicContact CE2-CB 4.22Å; F26-A37 HydrophobicContact CZ-CB 4.07Å; C33-A37 WeakPolarHBondContact O-CB 3.46Å; C33-A37 PolarHBondContact O-N 3.15Å; R35-A37 VanDerWaalsContact C-N 3.32Å; R35-A37 PolarHBondContact O-N 3.39Å; A37-I40 PolarHBondContact O-N 3.46Å; A37-G41 PolarHBondContact O-N 3.08Å; A37-L42 HydrophobicContact CB-CB 4.04Å; A37-L42 HydrophobicContact CB-CD1 4.07Å; A37-L42 WeakPolarHBondContact O-CB 3.43Å; A37-L42 PolarHBondContact O-N 2.78Å; A37-I95 HydrophobicContact CB-CD1 3.69Å |
| 38 | R | 80.2 | Confident | 82.2 | Confident | 189 Ų | 189 | 69.6 Ų | 69.6 | 71% | 0.713 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.5 | -40.3 | 173 | -74.5 | -175.6 | -157.7 | 152.8 | 6.4 | 113.3 | L34 R35 L36 I40 G41 | L34-R38 PolarHBondContact O-N 3.46Å; L34-R38 VanDerWaalsContact O-N 3.11Å; R35-R38 PolarHBondContact O-N 3.39Å; L36-R38 VanDerWaalsContact C-N 3.32Å; L36-R38 PolarHBondContact O-N 3.27Å; R38-I40 PolarHBondContact O-N 2.67Å; R38-G41 PolarHBondContact O-N 3.42Å |
| 39 | E | 80.7 | Confident | 82.4 | Confident | 128 Ų | 128 | 64.5 Ų | 64.5 | 60% | 0.598 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.4 | -30.8 | 178.5 | -74 | 173.1 | -166.1 | 0 | 0 | 112.5 | R35 L36 | R35-E39 WeakPolarHBondContact CG-OE1 3.34Å; R35-E39 WeakPolarHBondContact O-CG 3.44Å; R35-E39 PolarHBondContact O-N 3.3Å; L36-E39 PolarHBondContact O-N 3.45Å; L36-E39 VanDerWaalsContact O-N 3.16Å |
| 40 | I | 81 | Confident | 82.5 | Confident | 34 Ų | 34 | 61.1 Ų | 61.1 | 17% | 0.174 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -89.8 | -12.1 | 178.8 | -55.2 | 159.5 | 0 | 0 | 0 | 111.9 | K18 V22 F26 L36 A37 R38 L42 | K18-I40 HydrophobicContact CB-CG2 3.47Å; K18-I40 VanDerWaalsContact CB-CG2 3.47Å; K18-I40 HydrophobicContact CD-CG2 3.53Å; K18-I40 HydrophobicContact CG-CG2 4.09Å; V22-I40 HydrophobicContact CG2-CD1 3.67Å; V22-I40 HydrophobicContact CG2-CG1 4.28Å; F26-I40 HydrophobicContact CD2-CD1 4.06Å; F26-I40 HydrophobicContact CE2-CD1 3.82Å; L36-I40 VanDerWaalsContact O-CD1 3.26Å; L36-I40 WeakPolarHBondContact O-CD1 3.48Å; L36-I40 WeakPolarHBondContact O-CG1 3.47Å; L36-I40 PolarHBondContact O-N 3.35Å; A37-I40 PolarHBondContact O-N 3.46Å; R38-I40 PolarHBondContact O-N 2.67Å; I40-L42 HydrophobicContact CB-CD1 4.13Å; I40-L42 HydrophobicContact CD1-CD1 4.31Å; I40-L42 HydrophobicContact CG2-CD1 4.24Å |
| 41 | G | 74.5 | Confident | 82.7 | Confident | 56 Ų | 56 | 59.4 Ų | 59.4 | 58% | 0.577 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 34.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A37 R38 E43 | A37-G41 PolarHBondContact O-N 3.08Å; R38-G41 PolarHBondContact O-N 3.42Å; G41-E43 PolarHBondContact O-N 3.14Å |
| 42 | L | 74.3 | Confident | 82.7 | Confident | 14 Ų | 14 | 58 Ų | 58 | 7% | 0.073 | 30% | 0.295 | C | S | . | . | trans | -82.5 | 87.7 | 174.4 | -79.6 | 138.3 | 0 | 0 | 0 | 110.4 | V15 I19 F26 A37 I40 L45 I95 | V15-L42 HydrophobicContact CG1-CD2 3.31Å; V15-L42 HydrophobicContact CG1-CG 4.11Å; I19-L42 HydrophobicContact CD1-CD1 4.17Å; I19-L42 HydrophobicContact CD1-CD2 4.24Å; I19-L42 HydrophobicContact CG1-CD1 4.16Å; F26-L42 HydrophobicContact CE2-CD1 4.26Å; F26-L42 HydrophobicContact CZ-CD1 4.05Å; A37-L42 HydrophobicContact CB-CB 4.04Å; A37-L42 HydrophobicContact CB-CD1 4.07Å; A37-L42 WeakPolarHBondContact O-CB 3.43Å; A37-L42 PolarHBondContact O-N 2.78Å; I40-L42 HydrophobicContact CB-CD1 4.13Å; I40-L42 HydrophobicContact CD1-CD1 4.31Å; I40-L42 HydrophobicContact CG2-CD1 4.24Å; L42-L45 HydrophobicContact CD2-CD1 3.72Å; L42-L45 HydrophobicContact CD2-CD2 3.54Å; L42-L45 HydrophobicContact CD2-CG 3.64Å; L42-I95 WeakPolarHBondContact O-CG2 3.47Å | ||
| 43 | E | 69.5 | Low | 82.9 | Confident | 146 Ų | 146 | 57.5 Ų | 57.5 | 68% | 0.682 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -105.9 | -39.1 | 175.1 | -66.1 | -169.7 | 163.3 | 0 | 0 | 112.6 | G41 | G41-E43 PolarHBondContact O-N 3.14Š|
| 44 | D | 72.5 | Confident | 83 | Confident | 149 Ų | 149 | 57.6 Ų | 57.6 | 80% | 0.797 | 29% | 0.291 | S | S | * | . | trans | -126.8 | 83.9 | -177.6 | -68.9 | -39.5 | 0 | 0 | 0 | 111.9 | ||||
| 45 | L | 80.8 | Confident | 83.2 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | trans | -79.1 | 128.5 | 173.6 | -82.7 | 166.6 | 0 | 0 | 0 | 111 | V15 L42 E49 V50 I53 F88 L92 | V15-L45 HydrophobicContact CG1-CD2 3.93Å; L42-L45 HydrophobicContact CD2-CD1 3.72Å; L42-L45 HydrophobicContact CD2-CD2 3.54Å; L42-L45 HydrophobicContact CD2-CG 3.64Å; L45-E49 HydrophobicContact CD2-CB 3.83Å; L45-V50 HydrophobicContact CB-CG2 3.91Å; L45-V50 HydrophobicContact CD1-CG2 4.38Å; L45-I53 HydrophobicContact CD2-CD1 3.78Å; L45-F88 HydrophobicContact CD1-CZ 4.29Å; L45-L92 HydrophobicContact CD1-CD1 3.48Å; L45-L92 VanDerWaalsContact CD1-CD1 3.48Å | ||
| 46 | T | 85 | Confident | 83.2 | Confident | 77 Ų | 77 | 51 Ų | 51 | 47% | 0.472 | 27% | 0.266 | S | S | . | . | trans | -77.5 | 154.9 | 171.8 | 61.6 | 0 | 0 | 0 | 0 | 111.9 | S48 E49 V50 | T46-S48 PolarHBondContact O-N 3.39Å; T46-S48 VanDerWaalsContact O-N 3.15Å; T46-E49 PolarHBondContact N-OE2 3.07Å; T46-E49 PolarHBondContact O-N 2.88Å; T46-E49 VanDerWaalsContact O-N 3.09Å; T46-E49 VanDerWaalsContact OG1-CD 3.29Å; T46-E49 VanDerWaalsContact OG1-CG 3.22Å; T46-E49 WeakPolarHBondContact OG1-CG 3.48Å; T46-E49 PolarHBondContact OG1-N 2.92Å; T46-E49 PolarHBondContact OG1-OE2 3.02Å; T46-V50 WeakPolarHBondContact O-CG2 3.22Å; T46-V50 PolarHBondContact O-N 3.34Å | ||
| 47 | S | 87.5 | Confident | 83.3 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -52.9 | -35.7 | 176.2 | -51.1 | 0 | 0 | 0 | 0 | 112.8 | A51 E103 | S47-A51 PolarHBondContact O-N 3.43Å; S47-E103 WeakPolarHBondContact CB-OE2 3.27Å; S47-E103 PolarHBondContact OG-OE2 2.94Å |
| 48 | S | 85.9 | Confident | 83.4 | Confident | 59 Ų | 59 | 50 Ų | 50 | 41% | 0.413 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.7 | -46.1 | 176.1 | 177.5 | 0 | 0 | 0 | 0 | 112.8 | T46 V50 A51 E52 | T46-S48 PolarHBondContact O-N 3.39Å; T46-S48 VanDerWaalsContact O-N 3.15Å; S48-V50 VanDerWaalsContact C-N 3.3Å; S48-V50 PolarHBondContact O-N 3.29Å; S48-A51 PolarHBondContact O-N 3.27Å; S48-E52 PolarHBondContact O-N 3.43Å |
| 49 | E | 86.1 | Confident | 83.3 | Confident | 56 Ų | 56 | 43.4 Ų | 43.4 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.3 | -38.5 | 176.4 | -71 | 166.5 | 136.7 | 0 | 0 | 111.5 | L45 T46 E52 I53 | L45-E49 HydrophobicContact CD2-CB 3.83Å; T46-E49 PolarHBondContact N-OE2 3.07Å; T46-E49 PolarHBondContact O-N 2.88Å; T46-E49 VanDerWaalsContact O-N 3.09Å; T46-E49 VanDerWaalsContact OG1-CD 3.29Å; T46-E49 VanDerWaalsContact OG1-CG 3.22Å; T46-E49 WeakPolarHBondContact OG1-CG 3.48Å; T46-E49 PolarHBondContact OG1-N 2.92Å; T46-E49 PolarHBondContact OG1-OE2 3.02Å; E49-E52 PolarHBondContact O-N 3.14Å; E49-I53 WeakPolarHBondContact O-CB 3.35Å; E49-I53 WeakPolarHBondContact O-CD1 3.26Å; E49-I53 WeakPolarHBondContact O-CG1 3.17Å; E49-I53 PolarHBondContact O-N 3.01Å |
| 50 | V | 89.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.8 | -45.8 | 175.6 | 176 | 0 | 0 | 0 | 0 | 110.7 | L45 T46 S48 E52 I53 V54 L92 L99 V104 | L45-V50 HydrophobicContact CB-CG2 3.91Å; L45-V50 HydrophobicContact CD1-CG2 4.38Å; T46-V50 WeakPolarHBondContact O-CG2 3.22Å; T46-V50 PolarHBondContact O-N 3.34Å; S48-V50 VanDerWaalsContact C-N 3.3Å; S48-V50 PolarHBondContact O-N 3.29Å; V50-E52 PolarHBondContact O-N 3.2Å; V50-I53 PolarHBondContact O-N 3.42Å; V50-V54 HydrophobicContact CG1-CG2 4.21Å; V50-V54 WeakPolarHBondContact O-CB 3.48Å; V50-V54 VanDerWaalsContact O-CG2 3.27Å; V50-V54 WeakPolarHBondContact O-CG2 3.41Å; V50-V54 PolarHBondContact O-N 2.98Å; V50-L92 HydrophobicContact CB-CD2 4.46Å; V50-L92 HydrophobicContact CG1-CD2 3.66Å; V50-L92 HydrophobicContact CG2-CD1 4.21Å; V50-L92 HydrophobicContact CG2-CD2 3.86Å; V50-L99 HydrophobicContact CB-CD2 4.36Å; V50-L99 HydrophobicContact CG1-CD2 4.09Å; V50-L99 HydrophobicContact CG2-CD1 4.33Å; V50-L99 HydrophobicContact CG2-CD2 3.91Å; V50-V104 HydrophobicContact CB-CG2 4.43Å; V50-V104 HydrophobicContact CG1-CG1 4.15Å; V50-V104 HydrophobicContact CG1-CG2 4.26Å |
| 51 | A | 89.7 | Confident | 81.9 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 2% | 0.017 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.7 | -43.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S47 S48 V54 T55 V104 C107 F108 | S47-A51 PolarHBondContact O-N 3.43Å; S48-A51 PolarHBondContact O-N 3.27Å; A51-V54 PolarHBondContact O-N 2.84Å; A51-T55 VanDerWaalsContact O-CB 3.3Å; A51-T55 WeakPolarHBondContact O-CB 3.23Å; A51-T55 PolarHBondContact O-N 2.63Å; A51-T55 PolarHBondContact O-OG1 2.62Å; A51-V104 HydrophobicContact CB-CG1 4.4Å; A51-C107 HydrophobicContact CB-CB 3.59Å; A51-F108 HydrophobicContact CB-CD1 3.9Å; A51-F108 HydrophobicContact CB-CE1 3.92Å |
| 52 | E | 87.5 | Confident | 80.8 | Confident | 80 Ų | 80 | 38 Ų | 38 | 37% | 0.374 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.9 | -43.9 | 176 | -74.3 | -171.1 | 174 | 0 | 0 | 112.7 | L16 S48 E49 V50 T55 M56 | L16-E52 HydrophobicContact CD2-CB 4.5Å; S48-E52 PolarHBondContact O-N 3.43Å; E49-E52 PolarHBondContact O-N 3.14Å; V50-E52 PolarHBondContact O-N 3.2Å; E52-T55 PolarHBondContact O-N 3.29Å; E52-M56 WeakPolarHBondContact O-CB 3.39Å; E52-M56 PolarHBondContact O-N 3.37Å |
| 53 | I | 88.4 | Confident | 79.8 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.4 | -46.1 | 179.2 | -65.2 | 160.9 | 0 | 0 | 0 | 110.3 | V15 L16 I19 L45 E49 V50 T55 M56 M57 F88 | V15-I53 HydrophobicContact CG1-CD1 4.46Å; L16-I53 HydrophobicContact CD1-CB 4.43Å; L16-I53 HydrophobicContact CD1-CG1 3.85Å; I19-I53 HydrophobicContact CD1-CD1 3.55Å; I19-I53 HydrophobicContact CD1-CG1 3.99Å; I19-I53 HydrophobicContact CD1-CG2 4.26Å; L45-I53 HydrophobicContact CD2-CD1 3.78Å; E49-I53 WeakPolarHBondContact O-CB 3.35Å; E49-I53 WeakPolarHBondContact O-CD1 3.26Å; E49-I53 WeakPolarHBondContact O-CG1 3.17Å; E49-I53 PolarHBondContact O-N 3.01Å; V50-I53 PolarHBondContact O-N 3.42Å; I53-T55 VanDerWaalsContact C-N 3.32Å; I53-T55 PolarHBondContact O-N 3.05Å; I53-M56 HydrophobicContact CG2-CE 4.41Å; I53-M56 PolarHBondContact O-N 3.4Å; I53-M57 HydrophobicContact CG2-CE 3.46Å; I53-M57 VanDerWaalsContact CG2-CE 3.46Å; I53-M57 HydrophobicContact CG2-CG 4.34Å; I53-M57 HydrophobicContact CG2-SD 3.99Å; I53-M57 VanDerWaalsContact O-CG 3.29Å; I53-M57 WeakPolarHBondContact O-CG 3.34Å; I53-M57 PolarHBondContact O-N 3.23Å; I53-F88 HydrophobicContact CB-CE1 4.07Å; I53-F88 HydrophobicContact CB-CZ 4.14Å; I53-F88 HydrophobicContact CD1-CZ 4.01Å; I53-F88 HydrophobicContact CG2-CD1 4.14Å; I53-F88 HydrophobicContact CG2-CE1 3.51Å; I53-F88 HydrophobicContact CG2-CE2 4.19Å; I53-F88 HydrophobicContact CG2-CZ 3.53Å |
| 54 | V | 89.7 | Confident | 78.5 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.9 | -44.1 | 176.9 | 170.9 | 0 | 0 | 0 | 0 | 110.3 | V50 A51 M56 M57 V58 F88 F108 L124 V127 | V50-V54 HydrophobicContact CG1-CG2 4.21Å; V50-V54 WeakPolarHBondContact O-CB 3.48Å; V50-V54 VanDerWaalsContact O-CG2 3.27Å; V50-V54 WeakPolarHBondContact O-CG2 3.41Å; V50-V54 PolarHBondContact O-N 2.98Å; A51-V54 PolarHBondContact O-N 2.84Å; V54-M56 PolarHBondContact O-N 2.93Å; V54-M57 PolarHBondContact O-N 3.37Å; V54-V58 HydrophobicContact CG1-CG2 3.98Å; V54-V58 WeakPolarHBondContact O-CB 3.2Å; V54-V58 VanDerWaalsContact O-CG2 3.25Å; V54-V58 WeakPolarHBondContact O-CG2 3.46Å; V54-V58 PolarHBondContact O-N 2.84Å; V54-F88 HydrophobicContact CG2-CD1 4.33Å; V54-F88 HydrophobicContact CG2-CE1 4.28Å; V54-F108 HydrophobicContact CB-CE1 4.16Å; V54-F108 HydrophobicContact CB-CZ 4.25Å; V54-F108 HydrophobicContact CG1-CE1 4.02Å; V54-F108 HydrophobicContact CG1-CZ 3.87Å; V54-L124 HydrophobicContact CG1-CD1 3.99Å; V54-V127 HydrophobicContact CG1-CG1 4.06Å; V54-V127 HydrophobicContact CG2-CG1 4.1Å |
| 55 | T | 88.1 | Confident | 76.7 | Confident | 6 Ų | 6 | 40.3 Ų | 40.3 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.5 | -48.9 | 176.4 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | A51 E52 I53 M57 V58 L59 S112 F113 | A51-T55 VanDerWaalsContact O-CB 3.3Å; A51-T55 WeakPolarHBondContact O-CB 3.23Å; A51-T55 PolarHBondContact O-N 2.63Å; A51-T55 PolarHBondContact O-OG1 2.62Å; E52-T55 PolarHBondContact O-N 3.29Å; I53-T55 VanDerWaalsContact C-N 3.32Å; I53-T55 PolarHBondContact O-N 3.05Å; T55-M57 PolarHBondContact O-N 3.4Å; T55-V58 PolarHBondContact O-N 3.03Å; T55-L59 HydrophobicContact CG2-CD1 3.78Å; T55-L59 HydrophobicContact CG2-CG 4.47Å; T55-L59 VanDerWaalsContact O-CB 3.29Å; T55-L59 WeakPolarHBondContact O-CB 3.45Å; T55-L59 VanDerWaalsContact O-CG 3.25Å; T55-L59 WeakPolarHBondContact O-CG 3.31Å; T55-L59 PolarHBondContact O-N 2.94Å; T55-S112 WeakPolarHBondContact CG2-O 3.28Å; T55-F113 HydrophobicContact CG2-CB 4.17Å; T55-F113 HydrophobicContact CG2-CD2 3.99Å; T55-F113 WeakPolarHBondContact OG1-CD2 3.41Å |
| 56 | M | 87.3 | Confident | 74.4 | Confident | 27 Ų | 27 | 43 Ų | 43 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 177.5 | 176.9 | -82.7 | -63 | 0 | 0 | 112.5 | L16 I19 K20 E52 I53 V54 G60 W83 | L16-M56 HydrophobicContact CD1-CB 4.14Å; L16-M56 HydrophobicContact CD1-CE 4.23Å; L16-M56 HydrophobicContact CD1-CG 4.42Å; I19-M56 HydrophobicContact CG2-CE 4.15Å; K20-M56 HydrophobicContact CG-CG 4.47Å; K20-M56 HydrophobicContact CG-SD 4.46Å; E52-M56 WeakPolarHBondContact O-CB 3.39Å; E52-M56 PolarHBondContact O-N 3.37Å; I53-M56 HydrophobicContact CG2-CE 4.41Å; I53-M56 PolarHBondContact O-N 3.4Å; V54-M56 PolarHBondContact O-N 2.93Å; M56-G60 PolarHBondContact O-N 3.43Å; M56-W83 HydrophobicContact CE-CH2 3.99Å; M56-W83 HydrophobicContact CE-CZ2 4Å; M56-W83 HydrophobicContact CE-CZ3 4.26Å; M56-W83 HydrophobicContact SD-CD2 4.18Å; M56-W83 HydrophobicContact SD-CH2 4.31Å; M56-W83 HydrophobicContact SD-CZ2 3.71Å |
| 57 | M | 87.7 | Confident | 72.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72 | -37.8 | -178.4 | -65.4 | -179.8 | 175.4 | 0 | 0 | 112.6 | I19 F26 T27 I53 V54 T55 S61 W83 P85 F88 | I19-M57 HydrophobicContact CG2-CE 4.22Å; F26-M57 HydrophobicContact CD1-CE 4.09Å; F26-M57 HydrophobicContact CE1-CE 4.39Å; T27-M57 HydrophobicContact CG2-CE 3.55Å; T27-M57 HydrophobicContact CG2-SD 3.9Å; I53-M57 HydrophobicContact CG2-CE 3.46Å; I53-M57 VanDerWaalsContact CG2-CE 3.46Å; I53-M57 HydrophobicContact CG2-CG 4.34Å; I53-M57 HydrophobicContact CG2-SD 3.99Å; I53-M57 VanDerWaalsContact O-CG 3.29Å; I53-M57 WeakPolarHBondContact O-CG 3.34Å; I53-M57 PolarHBondContact O-N 3.23Å; V54-M57 PolarHBondContact O-N 3.37Å; T55-M57 PolarHBondContact O-N 3.4Å; M57-S61 PolarHBondContact O-N 3.31Å; M57-S61 PolarHBondContact O-OG 3.27Å; M57-W83 HydrophobicContact CB-CB 3.98Å; M57-W83 HydrophobicContact CB-CG 4.28Å; M57-W83 HydrophobicContact CE-CE3 3.81Å; M57-W83 HydrophobicContact CE-CZ3 3.8Å; M57-W83 HydrophobicContact CG-CB 4.26Å; M57-W83 HydrophobicContact CG-CD2 3.98Å; M57-W83 HydrophobicContact CG-CE3 3.75Å; M57-W83 HydrophobicContact CG-CG 4.22Å; M57-W83 HydrophobicContact CG-CZ3 4.43Å; M57-W83 HydrophobicContact SD-CE3 4.25Å; M57-P85 HydrophobicContact CB-CB 4.29Å; M57-P85 HydrophobicContact CB-CG 3.85Å; M57-F88 HydrophobicContact CE-CB 4.09Å; M57-F88 HydrophobicContact CE-CD1 4.22Å; M57-F88 HydrophobicContact CE-CD2 3.97Å; M57-F88 HydrophobicContact CE-CE2 4.43Å; M57-F88 HydrophobicContact CE-CG 3.84Å; M57-F88 HydrophobicContact SD-CB 3.74Å; M57-F88 HydrophobicContact SD-CD1 3.91Å; M57-F88 HydrophobicContact SD-CG 3.83Å |
| 58 | V | 85.3 | Confident | 69.3 | Low | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.03 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.3 | -46.7 | 176.1 | 170.8 | 0 | 0 | 0 | 0 | 110.1 | V54 T55 G60 S61 P85 C120 L124 | V54-V58 HydrophobicContact CG1-CG2 3.98Å; V54-V58 WeakPolarHBondContact O-CB 3.2Å; V54-V58 VanDerWaalsContact O-CG2 3.25Å; V54-V58 WeakPolarHBondContact O-CG2 3.46Å; V54-V58 PolarHBondContact O-N 2.84Å; T55-V58 PolarHBondContact O-N 3.03Å; V58-G60 VanDerWaalsContact C-N 3.35Å; V58-G60 PolarHBondContact O-N 3.38Å; V58-S61 VanDerWaalsContact O-CB 3.28Å; V58-S61 WeakPolarHBondContact O-CB 3.47Å; V58-S61 PolarHBondContact O-N 2.68Å; V58-S61 PolarHBondContact O-OG 3.43Å; V58-P85 HydrophobicContact CG2-CG 4.35Å; V58-C120 HydrophobicContact CG1-CB 3.79Å; V58-C120 WeakPolarHBondContact CG1-O 3.47Å; V58-L124 HydrophobicContact CG1-CB 4.45Å; V58-L124 HydrophobicContact CG2-CB 4.35Å |
| 59 | L | 77.8 | Confident | 66.7 | Low | 50 Ų | 50 | 55.9 Ų | 55.9 | 26% | 0.262 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.7 | -34.4 | 176.3 | -73 | 173.6 | 0 | 0 | 0 | 113.1 | T55 S61 D62 V114 K116 | T55-L59 HydrophobicContact CG2-CD1 3.78Å; T55-L59 HydrophobicContact CG2-CG 4.47Å; T55-L59 VanDerWaalsContact O-CB 3.29Å; T55-L59 WeakPolarHBondContact O-CB 3.45Å; T55-L59 VanDerWaalsContact O-CG 3.25Å; T55-L59 WeakPolarHBondContact O-CG 3.31Å; T55-L59 PolarHBondContact O-N 2.94Å; L59-S61 PolarHBondContact O-N 3.46Å; L59-D62 WeakPolarHBondContact O-CB 3.5Å; L59-D62 PolarHBondContact O-N 2.99Å; L59-V114 WeakPolarHBondContact CD2-O 3.44Å; L59-K116 HydrophobicContact CD2-CD 4.4Å; L59-K116 HydrophobicContact CD2-CG 4.36Å |
| 60 | G | 72.8 | Confident | 63.9 | Low | 35 Ų | 35 | 58.7 Ų | 58.7 | 36% | 0.361 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -6.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | M56 V58 D62 | M56-G60 PolarHBondContact O-N 3.43Å; V58-G60 VanDerWaalsContact C-N 3.35Å; V58-G60 PolarHBondContact O-N 3.38Å; G60-D62 PolarHBondContact O-N 2.92Å |
| 61 | S | 59.9 | Low | 61.1 | Low | 26 Ų | 26 | 63.2 Ų | 63.2 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -5.8 | 175.7 | -55.9 | 0 | 0 | 0 | 0 | 112.7 | M57 V58 L59 S63 | M57-S61 PolarHBondContact O-N 3.31Å; M57-S61 PolarHBondContact O-OG 3.27Å; V58-S61 VanDerWaalsContact O-CB 3.28Å; V58-S61 WeakPolarHBondContact O-CB 3.47Å; V58-S61 PolarHBondContact O-N 2.68Å; V58-S61 PolarHBondContact O-OG 3.43Å; L59-S61 PolarHBondContact O-N 3.46Å; S61-S63 PolarHBondContact O-N 2.97Å |
| 62 | D | 51.9 | Low | 58.3 | Low | 44 Ų | 44 | 70.5 Ų | 70.5 | 24% | 0.235 | 43% | 0.432 | C | S | . | . | trans | -86.5 | 98.6 | -170.2 | -146.9 | 4.1 | 0 | 0 | 0 | 111.7 | L59 G60 S64 K116 N117 | L59-D62 WeakPolarHBondContact O-CB 3.5Å; L59-D62 PolarHBondContact O-N 2.99Å; G60-D62 PolarHBondContact O-N 2.92Å; D62-S64 PolarHBondContact O-N 3.47Å; D62-K116 WeakPolarHBondContact OD2-CD 3.42Å; D62-N117 PolarHBondContact OD1-ND2 3.04Å | ||
| 63 | S | 51.9 | Low | 55.5 | Low | 89 Ų | 89 | 75.5 Ų | 75.5 | 62% | 0.622 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 13 | -173.7 | 52.1 | 0 | 0 | 0 | 0 | 115.2 | S61 | S61-S63 PolarHBondContact O-N 2.97Š|
| 64 | S | 43.9 | Very low | 52.7 | Low | 103 Ų | 103 | 82.3 Ų | 82.3 | 72% | 0.72 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -5.7 | -165.3 | -164.1 | 0 | 0 | 0 | 0 | 117.2 | D62 A66 | D62-S64 PolarHBondContact O-N 3.47Å; S64-A66 PolarHBondContact O-N 3.07Å |
| 65 | E | 33.7 | Very low | 49.8 | Very low | 164 Ų | 164 | 88.1 Ų | 88.1 | 77% | 0.766 | 53% | 0.533 | S | S | * | . | trans | -98.5 | 87.2 | 177 | -74.3 | -178.1 | -163.8 | 0 | 0 | 111.8 | K116 | E65-K116 IonicContact OE1-NZ 3.04Š| ||
| 66 | A | 32.5 | Very low | 47 | Very low | 66 Ų | 66 | 95.6 Ų | 95.6 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | trans | -119 | 114.6 | 156.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | S64 Q68 | S64-A66 PolarHBondContact O-N 3.07Å; A66-Q68 PolarHBondContact O-N 2.93Å | ||
| 67 | P | 36.2 | Very low | 44.3 | Very low | 119 Ų | 119 | 102.8 Ų | 102.8 | 77% | 0.773 | 61% | 0.608 | S | S | * | * | trans | -66 | 127.7 | -177.8 | 24.6 | -29.9 | 0 | 0 | 0 | 110 | S69 | P67-S69 VanDerWaalsContact C-N 3.3Å; P67-S69 PolarHBondContact O-N 3.33Å | ||
| 68 | Q | 29.4 | Very low | 41.8 | Very low | 207 Ų | 207 | 108.4 Ų | 108.4 | 97% | 0.967 | 64% | 0.644 | S | S | * | * | trans | -62.8 | 86.5 | 173.9 | -67.9 | 176.6 | -11.9 | 0 | 0 | 109.9 | A66 | A66-Q68 PolarHBondContact O-N 2.93Š| ||
| 69 | S | 30.9 | Very low | 39.6 | Very low | 92 Ų | 92 | 115.2 Ų | 115.2 | 64% | 0.643 | 68% | 0.681 | S | S | * | * | trans | -123.5 | 110.8 | 164.3 | 61.7 | 0 | 0 | 0 | 0 | 109.4 | P67 | P67-S69 VanDerWaalsContact C-N 3.3Å; P67-S69 PolarHBondContact O-N 3.33Å | ||
| 70 | S | 28.6 | Very low | 37.9 | Very low | 114 Ų | 114 | 122.2 Ų | 122.2 | 80% | 0.797 | 70% | 0.704 | S | S | * | * | trans | 48.8 | 105.6 | 163.3 | 55.5 | 0 | 0 | 0 | 0 | 117 | D72 | S70-D72 PolarHBondContact O-N 3.09Š| ||
| 71 | A | 30.5 | Very low | 37.1 | Very low | 95 Ų | 95 | 125.3 Ų | 125.3 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | trans | -52.7 | 116.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 72 | D | 30.3 | Very low | 37.8 | Very low | 155 Ų | 155 | 127.2 Ų | 127.2 | 83% | 0.829 | 72% | 0.717 | S | S | * | * | 178 | 145.1 | 126.4 | -90.7 | -23.8 | 0 | 0 | 0 | 110.1 | S70 | S70-D72 PolarHBondContact O-N 3.09Š| |||
| 73 | Q | 29.5 | Very low | 39.3 | Very low | 185 Ų | 185 | 126.5 Ų | 126.5 | 86% | 0.864 | 71% | 0.711 | S | S | * | * | trans | 93.3 | 79.9 | 175.2 | -53.5 | -175.8 | 11.9 | 0 | 0 | 116.8 | T75 | Q73-T75 PolarHBondContact O-N 2.76Š| ||
| 74 | V | 28.3 | Very low | 40.9 | Very low | 145 Ų | 145 | 127 Ų | 127 | 88% | 0.879 | 70% | 0.703 | S | S | * | * | trans | -67.5 | 111.6 | 154.9 | 175.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 75 | T | 28.9 | Very low | 43 | Very low | 124 Ų | 124 | 122.4 Ų | 122.4 | 76% | 0.761 | 67% | 0.671 | S | S | * | * | trans | -139 | 136.2 | 153.2 | 42.4 | 0 | 0 | 0 | 0 | 108.8 | Q73 | Q73-T75 PolarHBondContact O-N 2.76Š| ||
| 76 | D | 30.8 | Very low | 45.5 | Very low | 163 Ų | 163 | 117.4 Ų | 117.4 | 87% | 0.872 | 65% | 0.649 | S | S | * | * | trans | -48.1 | 123.8 | -167.6 | -66.8 | -52.6 | 0 | 0 | 0 | 115.7 | ||||
| 77 | M | 28.8 | Very low | 48.2 | Very low | 178 Ų | 178 | 115.6 Ų | 115.6 | 88% | 0.877 | 63% | 0.631 | S | S | * | * | trans | -117.6 | 130.3 | 159 | -78 | -75.1 | -85.3 | 0 | 0 | 109 | ||||
| 78 | P | 36.2 | Very low | 50.8 | Low | 117 Ų | 117 | 110 Ų | 110 | 76% | 0.76 | 60% | 0.595 | S | S | * | * | trans | -77.5 | 137.7 | -171.3 | 31.2 | -33.1 | 0 | 0 | 0 | 112.2 | ||||
| 79 | N | 39.7 | Very low | 53.6 | Low | 149 Ų | 149 | 100.2 Ų | 100.2 | 80% | 0.797 | 55% | 0.549 | S | S | * | . | trans | 23.1 | 98.6 | 164.8 | -68.8 | -9.8 | 0 | 0 | 0 | 116.8 | E81 | N79-E81 PolarHBondContact O-N 3.21Š| ||
| 80 | R | 41.3 | Very low | 56.4 | Low | 196 Ų | 196 | 100.9 Ų | 100.9 | 74% | 0.74 | 54% | 0.54 | S | S | * | . | trans | -55.2 | 104.9 | 163.9 | -82.7 | -176.9 | 172.4 | -174.8 | -4.1 | 109.5 | ||||
| 81 | E | 56.8 | Low | 59.3 | Low | 101 Ų | 101 | 95.5 Ų | 95.5 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 118.4 | 171.9 | -67.3 | -172.9 | 160.2 | 0 | 0 | 109.1 | C24 V25 N79 | C24-E81 HydrophobicContact CB-CB 4.08Å; C24-E81 WeakPolarHBondContact CB-O 3.36Å; C24-E81 PolarHBondContact SG-O 3.22Å; V25-E81 WeakPolarHBondContact CG2-OE2 3.37Å; N79-E81 PolarHBondContact O-N 3.21Å |
| 82 | N | 74 | Confident | 62 | Low | 66 Ų | 66 | 91 Ų | 91 | 35% | 0.353 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -92.7 | 160.8 | 176.1 | -77.4 | -0.3 | 0 | 0 | 0 | 111.2 | ||
| 83 | W | 82.4 | Confident | 64.7 | Low | 28 Ų | 28 | 88.1 Ų | 88.1 | 11% | 0.106 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 142.4 | 170.2 | -66.7 | 99.2 | 0 | 0 | 0 | 111 | I19 G23 F26 T27 M56 M57 P85 | I19-W83 HydrophobicContact CG2-CH2 3.87Å; I19-W83 HydrophobicContact CG2-CZ3 3.95Å; G23-W83 VanDerWaalsContact C-CH2 3.43Å; G23-W83 WeakPolarHBondContact O-CH2 3.41Å; F26-W83 HydrophobicContact CB-CZ3 4.17Å; T27-W83 HydrophobicContact CG2-CE3 3.91Å; T27-W83 HydrophobicContact CG2-CZ3 4.27Å; M56-W83 HydrophobicContact CE-CH2 3.99Å; M56-W83 HydrophobicContact CE-CZ2 4Å; M56-W83 HydrophobicContact CE-CZ3 4.26Å; M56-W83 HydrophobicContact SD-CD2 4.18Å; M56-W83 HydrophobicContact SD-CH2 4.31Å; M56-W83 HydrophobicContact SD-CZ2 3.71Å; M57-W83 HydrophobicContact CB-CB 3.98Å; M57-W83 HydrophobicContact CB-CG 4.28Å; M57-W83 HydrophobicContact CE-CE3 3.81Å; M57-W83 HydrophobicContact CE-CZ3 3.8Å; M57-W83 HydrophobicContact CG-CB 4.26Å; M57-W83 HydrophobicContact CG-CD2 3.98Å; M57-W83 HydrophobicContact CG-CE3 3.75Å; M57-W83 HydrophobicContact CG-CG 4.22Å; M57-W83 HydrophobicContact CG-CZ3 4.43Å; M57-W83 HydrophobicContact SD-CE3 4.25Å; W83-P85 WeakPolarHBondContact O-CD 3.32Å |
| 84 | H | 86.2 | Confident | 67.4 | Low | 99 Ų | 99 | 85.5 Ų | 85.5 | 46% | 0.458 | 43% | 0.43 | S | S | . | . | trans | -118.1 | 83.2 | 174.8 | -66.2 | -58.9 | 0 | 0 | 0 | 110.8 | T27 I86 V87 F88 | T27-H84 PolarHBondContact OG1-N 3.19Å; H84-I86 VanDerWaalsContact C-N 3.26Å; H84-I86 PolarHBondContact O-N 3.19Å; H84-V87 HydrophobicContact CB-CB 4.18Å; H84-V87 HydrophobicContact CB-CG2 3.85Å; H84-V87 WeakPolarHBondContact O-CB 3.34Å; H84-V87 PolarHBondContact O-N 2.97Å; H84-F88 PolarHBondContact O-N 3.03Å | ||
| 85 | P | 87.3 | Confident | 70 | Confident | 7 Ų | 7 | 80.3 Ų | 80.3 | 5% | 0.045 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.6 | -33.7 | -172.4 | -23.9 | 34 | 0 | 0 | 0 | 113.8 | M57 V58 W83 V87 F88 A89 S123 V127 | M57-P85 HydrophobicContact CB-CB 4.29Å; M57-P85 HydrophobicContact CB-CG 3.85Å; V58-P85 HydrophobicContact CG2-CG 4.35Å; W83-P85 WeakPolarHBondContact O-CD 3.32Å; P85-V87 VanDerWaalsContact C-N 3.28Å; P85-V87 PolarHBondContact O-N 3.14Å; P85-F88 WeakPolarHBondContact O-CB 3.48Å; P85-F88 PolarHBondContact O-N 3.22Å; P85-F88 VanDerWaalsContact O-N 3.13Å; P85-A89 PolarHBondContact O-N 3Å; P85-S123 WeakPolarHBondContact CG-OG 3.04Å; P85-V127 HydrophobicContact CB-CG2 3.29Å |
| 86 | I | 88 | Confident | 72.5 | Confident | 60 Ų | 60 | 75.5 Ų | 75.5 | 31% | 0.308 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 177.2 | -62 | 170.3 | 0 | 0 | 0 | 111.3 | H84 F88 A89 K90 S126 V130 | H84-I86 VanDerWaalsContact C-N 3.26Å; H84-I86 PolarHBondContact O-N 3.19Å; I86-F88 VanDerWaalsContact C-N 3.33Å; I86-A89 PolarHBondContact O-N 2.79Å; I86-K90 HydrophobicContact CG2-CD 4.42Å; I86-K90 WeakPolarHBondContact O-CG 3.49Å; I86-K90 PolarHBondContact O-N 3.48Å; I86-S126 VanDerWaalsContact CD1-CB 3.45Å; I86-V130 HydrophobicContact CG2-CG2 4.11Å |
| 87 | V | 88.2 | Confident | 74.9 | Confident | 28 Ų | 28 | 72.2 Ų | 72.2 | 17% | 0.17 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67 | -40.6 | 176.9 | 176.7 | 0 | 0 | 0 | 0 | 110 | T27 V30 H84 P85 K90 A91 | T27-V87 WeakPolarHBondContact O-CB 3.22Å; T27-V87 WeakPolarHBondContact O-CG1 3.39Å; V30-V87 HydrophobicContact CG2-CG1 3.98Å; V30-V87 VanDerWaalsContact N-CG1 3.35Å; H84-V87 HydrophobicContact CB-CB 4.18Å; H84-V87 HydrophobicContact CB-CG2 3.85Å; H84-V87 WeakPolarHBondContact O-CB 3.34Å; H84-V87 PolarHBondContact O-N 2.97Å; P85-V87 VanDerWaalsContact C-N 3.28Å; P85-V87 PolarHBondContact O-N 3.14Å; V87-K90 PolarHBondContact O-N 3.27Å; V87-A91 WeakPolarHBondContact O-CB 3.06Å; V87-A91 PolarHBondContact O-N 3.09Å |
| 88 | F | 90 | Very high | 77.4 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.009 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.9 | -49.7 | 174 | 179.8 | -116 | 0 | 0 | 0 | 111.1 | F26 T27 L45 I53 V54 M57 H84 P85 I86 K90 A91 L92 | F26-F88 AromaticContact CE1-CD2 3.79Å; F26-F88 HydrophobicContact CE1-CD2 3.79Å; F26-F88 AromaticContact CE1-CE2 3.91Å; F26-F88 HydrophobicContact CE1-CE2 3.91Å; T27-F88 HydrophobicContact CG2-CB 4.08Å; L45-F88 HydrophobicContact CD1-CZ 4.29Å; I53-F88 HydrophobicContact CB-CE1 4.07Å; I53-F88 HydrophobicContact CB-CZ 4.14Å; I53-F88 HydrophobicContact CD1-CZ 4.01Å; I53-F88 HydrophobicContact CG2-CD1 4.14Å; I53-F88 HydrophobicContact CG2-CE1 3.51Å; I53-F88 HydrophobicContact CG2-CE2 4.19Å; I53-F88 HydrophobicContact CG2-CZ 3.53Å; V54-F88 HydrophobicContact CG2-CD1 4.33Å; V54-F88 HydrophobicContact CG2-CE1 4.28Å; M57-F88 HydrophobicContact CE-CB 4.09Å; M57-F88 HydrophobicContact CE-CD1 4.22Å; M57-F88 HydrophobicContact CE-CD2 3.97Å; M57-F88 HydrophobicContact CE-CE2 4.43Å; M57-F88 HydrophobicContact CE-CG 3.84Å; M57-F88 HydrophobicContact SD-CB 3.74Å; M57-F88 HydrophobicContact SD-CD1 3.91Å; M57-F88 HydrophobicContact SD-CG 3.83Å; H84-F88 PolarHBondContact O-N 3.03Å; P85-F88 WeakPolarHBondContact O-CB 3.48Å; P85-F88 PolarHBondContact O-N 3.22Å; P85-F88 VanDerWaalsContact O-N 3.13Å; I86-F88 VanDerWaalsContact C-N 3.33Å; F88-K90 VanDerWaalsContact C-N 3.31Å; F88-K90 PolarHBondContact O-N 3.15Å; F88-A91 CarbonylContact O-C 3.57Å; F88-A91 PolarHBondContact O-N 3.32Å; F88-A91 VanDerWaalsContact O-N 3.07Å; F88-L92 HydrophobicContact CD1-CD1 4.47Å; F88-L92 HydrophobicContact CD2-CD1 4.48Å; F88-L92 HydrophobicContact CE1-CD1 3.73Å; F88-L92 HydrophobicContact CE2-CD1 3.74Å; F88-L92 HydrophobicContact CZ-CD1 3.32Å; F88-L92 WeakPolarHBondContact O-CB 3.19Å; F88-L92 PolarHBondContact O-N 3.18Å |
| 89 | A | 89.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.3 | -41.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P85 I86 L92 R93 W101 V127 V130 | P85-A89 PolarHBondContact O-N 3Å; I86-A89 PolarHBondContact O-N 2.79Å; A89-L92 PolarHBondContact O-N 2.91Å; A89-R93 PolarHBondContact O-N 3.08Å; A89-R93 VanDerWaalsContact O-N 3.17Å; A89-W101 HydrophobicContact CB-CH2 4.29Å; A89-V127 HydrophobicContact CB-CG1 4.11Å; A89-V130 HydrophobicContact CB-CB 4.08Å; A89-V130 HydrophobicContact CB-CG1 3.8Å |
| 90 | K | 89.8 | Confident | 82 | Confident | 107 Ų | 107 | 63.3 Ų | 63.3 | 47% | 0.465 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 175.4 | -73.5 | 178.8 | -178.4 | -179.8 | 0 | 112.8 | V30 I86 V87 F88 V130 | V30-K90 HydrophobicContact CG2-CB 3.83Å; V30-K90 HydrophobicContact CG2-CD 4.4Å; I86-K90 HydrophobicContact CG2-CD 4.42Å; I86-K90 WeakPolarHBondContact O-CG 3.49Å; I86-K90 PolarHBondContact O-N 3.48Å; V87-K90 PolarHBondContact O-N 3.27Å; F88-K90 VanDerWaalsContact C-N 3.31Å; F88-K90 PolarHBondContact O-N 3.15Å; K90-V130 HydrophobicContact CG-CG1 3.83Å |
| 91 | A | 87.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.5 | -40.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V30 C33 L34 V87 F88 R93 Q94 I95 | V30-A91 HydrophobicContact CG1-CB 4.2Å; C33-A91 HydrophobicContact CB-CB 3.9Å; L34-A91 HydrophobicContact CD2-CB 4.14Å; L34-A91 HydrophobicContact CG-CB 4.13Å; V87-A91 WeakPolarHBondContact O-CB 3.06Å; V87-A91 PolarHBondContact O-N 3.09Å; F88-A91 CarbonylContact O-C 3.57Å; F88-A91 PolarHBondContact O-N 3.32Å; F88-A91 VanDerWaalsContact O-N 3.07Å; A91-R93 VanDerWaalsContact C-N 3.31Å; A91-R93 PolarHBondContact O-N 3.39Å; A91-Q94 WeakPolarHBondContact O-CA 3.3Å; A91-Q94 WeakPolarHBondContact O-CB 3.34Å; A91-Q94 PolarHBondContact O-N 3.14Å; A91-I95 WeakPolarHBondContact O-CG1 3.43Å; A91-I95 PolarHBondContact O-N 3.34Å; A91-I95 VanDerWaalsContact O-N 3.1Å |
| 92 | L | 88.2 | Confident | 85.8 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.1 | -42.2 | -179.7 | -152.7 | 90.6 | 0 | 0 | 0 | 111.7 | L45 V50 F88 A89 Q94 I95 S96 L99 W101 | L45-L92 HydrophobicContact CD1-CD1 3.48Å; L45-L92 VanDerWaalsContact CD1-CD1 3.48Å; V50-L92 HydrophobicContact CB-CD2 4.46Å; V50-L92 HydrophobicContact CG1-CD2 3.66Å; V50-L92 HydrophobicContact CG2-CD1 4.21Å; V50-L92 HydrophobicContact CG2-CD2 3.86Å; F88-L92 HydrophobicContact CD1-CD1 4.47Å; F88-L92 HydrophobicContact CD2-CD1 4.48Å; F88-L92 HydrophobicContact CE1-CD1 3.73Å; F88-L92 HydrophobicContact CE2-CD1 3.74Å; F88-L92 HydrophobicContact CZ-CD1 3.32Å; F88-L92 WeakPolarHBondContact O-CB 3.19Å; F88-L92 PolarHBondContact O-N 3.18Å; A89-L92 PolarHBondContact O-N 2.91Å; L92-Q94 PolarHBondContact O-N 3.36Å; L92-Q94 VanDerWaalsContact O-N 3.08Å; L92-I95 PolarHBondContact O-N 3.4Å; L92-S96 CarbonylContact O-C 3.59Å; L92-S96 PolarHBondContact O-N 3.01Å; L92-L99 HydrophobicContact CD2-CD2 3.37Å; L92-W101 HydrophobicContact CD2-CH2 4.12Å; L92-W101 HydrophobicContact CD2-CZ2 4Å |
| 93 | R | 86.9 | Confident | 86.5 | Confident | 95 Ų | 95 | 57 Ų | 57 | 36% | 0.358 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.7 | -19.3 | 174.4 | -77 | -169.5 | 63.4 | 177.9 | 1.2 | 114.2 | A89 A91 V130 | A89-R93 PolarHBondContact O-N 3.08Å; A89-R93 VanDerWaalsContact O-N 3.17Å; A91-R93 VanDerWaalsContact C-N 3.31Å; A91-R93 PolarHBondContact O-N 3.39Å; R93-V130 WeakPolarHBondContact CD-O 3.4Å |
| 94 | Q | 85.4 | Confident | 86.9 | Confident | 129 Ų | 129 | 55.6 Ų | 55.6 | 60% | 0.603 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -95.6 | -24.9 | 174.1 | -58.4 | -175.4 | 22.4 | 0 | 0 | 112.8 | L34 A91 L92 | L34-Q94 HydrophobicContact CD2-CB 4Å; A91-Q94 WeakPolarHBondContact O-CA 3.3Å; A91-Q94 WeakPolarHBondContact O-CB 3.34Å; A91-Q94 PolarHBondContact O-N 3.14Å; L92-Q94 PolarHBondContact O-N 3.36Å; L92-Q94 VanDerWaalsContact O-N 3.08Å |
| 95 | I | 82.9 | Confident | 87 | Confident | 37 Ų | 37 | 51.1 Ų | 51.1 | 19% | 0.19 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -82 | -49.1 | 178 | -61.3 | 167.2 | 0 | 0 | 0 | 109.8 | L34 A37 L42 A91 L92 | L34-I95 HydrophobicContact CD2-CD1 4Å; L34-I95 HydrophobicContact CD2-CG1 3.6Å; A37-I95 HydrophobicContact CB-CD1 3.69Å; L42-I95 WeakPolarHBondContact O-CG2 3.47Å; A91-I95 WeakPolarHBondContact O-CG1 3.43Å; A91-I95 PolarHBondContact O-N 3.34Å; A91-I95 VanDerWaalsContact O-N 3.1Å; L92-I95 PolarHBondContact O-N 3.4Å |
| 96 | S | 83 | Confident | 87.1 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 16% | 0.161 | 27% | 0.272 | C | S | . | . | trans | -132.4 | 82.6 | -178.9 | -167.6 | 0 | 0 | 0 | 0 | 110.3 | L92 D98 | L92-S96 CarbonylContact O-C 3.59Å; L92-S96 PolarHBondContact O-N 3.01Å; S96-D98 VanDerWaalsContact C-N 3.27Å; S96-D98 PolarHBondContact O-N 2.99Å | ||
| 97 | P | 81.2 | Confident | 87.2 | Confident | 94 Ų | 94 | 54.5 Ų | 54.5 | 61% | 0.61 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -21.8 | -178.6 | 26.7 | -33.2 | 0 | 0 | 0 | 113.8 | L99 | P97-L99 VanDerWaalsContact C-N 3.35Š|
| 98 | D | 81.1 | Confident | 87.4 | Confident | 155 Ų | 155 | 53.2 Ų | 53.2 | 83% | 0.829 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 8.3 | -176.7 | -61 | -32.4 | 0 | 0 | 0 | 113.2 | S96 D100 | S96-D98 VanDerWaalsContact C-N 3.27Å; S96-D98 PolarHBondContact O-N 2.99Å; D98-D100 PolarHBondContact O-N 3.33Å |
| 99 | L | 85.3 | Confident | 87.5 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 10% | 0.099 | 27% | 0.268 | C | S | . | . | trans | -63.4 | 126.4 | -179.7 | -174.6 | 73.3 | 0 | 0 | 0 | 111.8 | V50 L92 P97 W101 V104 | V50-L99 HydrophobicContact CB-CD2 4.36Å; V50-L99 HydrophobicContact CG1-CD2 4.09Å; V50-L99 HydrophobicContact CG2-CD1 4.33Å; V50-L99 HydrophobicContact CG2-CD2 3.91Å; L92-L99 HydrophobicContact CD2-CD2 3.37Å; P97-L99 VanDerWaalsContact C-N 3.35Å; L99-W101 HydrophobicContact CD2-CZ2 4.31Å; L99-W101 PolarHBondContact O-N 2.89Å; L99-V104 HydrophobicContact CD1-CG2 4.3Å; L99-V104 HydrophobicContact CD2-CG2 3.85Å; L99-V104 HydrophobicContact CG-CG2 4.03Å | ||
| 100 | D | 86.4 | Confident | 87.4 | Confident | 83 Ų | 83 | 56.2 Ų | 56.2 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | trans | -80.6 | 101.8 | 174.9 | -172.2 | -1.1 | 0 | 0 | 0 | 111.3 | D98 Y102 E103 V104 | D98-D100 PolarHBondContact O-N 3.33Å; D100-Y102 PolarHBondContact O-N 3.28Å; D100-Y102 VanDerWaalsContact OD1-CB 3.28Å; D100-Y102 WeakPolarHBondContact OD1-CB 3.5Å; D100-Y102 WeakPolarHBondContact OD1-CD2 3.42Å; D100-Y102 PolarHBondContact OD1-N 2.9Å; D100-E103 HydrophobicContact CB-CB 4.09Å; D100-E103 WeakPolarHBondContact O-CB 3.22Å; D100-E103 PolarHBondContact O-N 3.13Å; D100-V104 PolarHBondContact O-N 3.1Å; D100-V104 VanDerWaalsContact O-N 3.08Å | ||
| 101 | W | 90.1 | Very high | 87.1 | Confident | 23 Ų | 23 | 56 Ų | 56 | 9% | 0.087 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.8 | -18.3 | 177.8 | -70.8 | 87.4 | 0 | 0 | 0 | 113.8 | A89 L92 L99 V104 I105 V127 L128 G131 F132 | A89-W101 HydrophobicContact CB-CH2 4.29Å; L92-W101 HydrophobicContact CD2-CH2 4.12Å; L92-W101 HydrophobicContact CD2-CZ2 4Å; L99-W101 HydrophobicContact CD2-CZ2 4.31Å; L99-W101 PolarHBondContact O-N 2.89Å; W101-V104 HydrophobicContact CE3-CB 4.46Å; W101-V104 HydrophobicContact CE3-CG1 4.38Å; W101-I105 PolarHBondContact O-N 3.26Å; W101-V127 HydrophobicContact CH2-CG1 4.49Å; W101-V127 HydrophobicContact CZ3-CG1 4.19Å; W101-L128 HydrophobicContact CE3-CD2 4.31Å; W101-G131 VanDerWaalsContact CD2-CA 3.42Å; W101-G131 VanDerWaalsContact CZ2-CA 3.4Å; W101-G131 PolarHBondContact NE1-O 3.34Å; W101-F132 HydrophobicContact CB-CD1 4.28Å; W101-F132 HydrophobicContact CB-CD2 4.32Å; W101-F132 HydrophobicContact CB-CE1 3.78Å; W101-F132 HydrophobicContact CB-CE2 3.82Å; W101-F132 HydrophobicContact CB-CZ 3.53Å |
| 102 | Y | 89.2 | Confident | 86.8 | Confident | 105 Ų | 105 | 59.2 Ų | 59.2 | 41% | 0.412 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.4 | -45.5 | 169.1 | -72.4 | -97.8 | 0 | 0 | 0 | 110.4 | D100 V104 I105 F106 F132 P138 L141 | D100-Y102 PolarHBondContact O-N 3.28Å; D100-Y102 VanDerWaalsContact OD1-CB 3.28Å; D100-Y102 WeakPolarHBondContact OD1-CB 3.5Å; D100-Y102 WeakPolarHBondContact OD1-CD2 3.42Å; D100-Y102 PolarHBondContact OD1-N 2.9Å; Y102-V104 VanDerWaalsContact C-N 3.31Å; Y102-V104 PolarHBondContact O-N 3.09Å; Y102-I105 PolarHBondContact O-N 3.45Å; Y102-I105 VanDerWaalsContact O-N 3.14Å; Y102-F106 WeakPolarHBondContact O-CD2 3.5Å; Y102-F106 PolarHBondContact O-N 2.76Å; Y102-F106 VanDerWaalsContact O-N 3.1Å; Y102-F132 AromaticContact CD2-CE1 3.79Å; Y102-F132 HydrophobicContact CD2-CE1 3.79Å; Y102-F132 HydrophobicContact CD2-CZ 4.37Å; Y102-F132 HydrophobicContact CE2-CD1 4.43Å; Y102-F132 AromaticContact CE2-CE1 3.61Å; Y102-F132 HydrophobicContact CE2-CE1 3.61Å; Y102-F132 HydrophobicContact CG-CE1 4.36Å; Y102-P138 HydrophobicContact CD1-CB 4.44Å; Y102-P138 HydrophobicContact CD1-CG 3.94Å; Y102-P138 HydrophobicContact CE1-CB 3.71Å; Y102-P138 HydrophobicContact CE1-CG 3.52Å; Y102-L141 HydrophobicContact CD1-CD1 4Å |
| 103 | E | 87.6 | Confident | 86.9 | Confident | 101 Ų | 101 | 59.3 Ų | 59.3 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.8 | -36.8 | 176.4 | -161.4 | -179.4 | -152.1 | 0 | 0 | 111.3 | S47 D100 I105 F106 C107 | S47-E103 WeakPolarHBondContact CB-OE2 3.27Å; S47-E103 PolarHBondContact OG-OE2 2.94Å; D100-E103 HydrophobicContact CB-CB 4.09Å; D100-E103 WeakPolarHBondContact O-CB 3.22Å; D100-E103 PolarHBondContact O-N 3.13Å; E103-I105 VanDerWaalsContact C-N 3.32Å; E103-I105 PolarHBondContact O-N 3.31Å; E103-F106 WeakPolarHBondContact O-CB 3.41Å; E103-F106 PolarHBondContact O-N 3.19Å; E103-F106 VanDerWaalsContact O-N 3.15Å; E103-C107 PolarHBondContact O-N 3.02Å; E103-C107 PolarHBondContact O-SG 3.46Å |
| 104 | V | 89.9 | Confident | 87 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.9 | -41.4 | 172.1 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | V50 A51 L99 D100 W101 Y102 C107 F108 | V50-V104 HydrophobicContact CB-CG2 4.43Å; V50-V104 HydrophobicContact CG1-CG1 4.15Å; V50-V104 HydrophobicContact CG1-CG2 4.26Å; A51-V104 HydrophobicContact CB-CG1 4.4Å; L99-V104 HydrophobicContact CD1-CG2 4.3Å; L99-V104 HydrophobicContact CD2-CG2 3.85Å; L99-V104 HydrophobicContact CG-CG2 4.03Å; D100-V104 PolarHBondContact O-N 3.1Å; D100-V104 VanDerWaalsContact O-N 3.08Å; W101-V104 HydrophobicContact CE3-CB 4.46Å; W101-V104 HydrophobicContact CE3-CG1 4.38Å; Y102-V104 VanDerWaalsContact C-N 3.31Å; Y102-V104 PolarHBondContact O-N 3.09Å; V104-C107 PolarHBondContact O-N 3.2Å; V104-F108 HydrophobicContact CG1-CE2 4.15Å; V104-F108 HydrophobicContact CG1-CZ 4.08Å; V104-F108 WeakPolarHBondContact O-CD2 3.5Å; V104-F108 PolarHBondContact O-N 3.48Å |
| 105 | I | 89.9 | Confident | 87.3 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 174.9 | -69.6 | 175.5 | 0 | 0 | 0 | 111.1 | W101 Y102 E103 C107 F108 L128 F132 I137 P138 L141 W155 | W101-I105 PolarHBondContact O-N 3.26Å; Y102-I105 PolarHBondContact O-N 3.45Å; Y102-I105 VanDerWaalsContact O-N 3.14Å; E103-I105 VanDerWaalsContact C-N 3.32Å; E103-I105 PolarHBondContact O-N 3.31Å; I105-C107 VanDerWaalsContact C-N 3.27Å; I105-C107 PolarHBondContact O-N 2.79Å; I105-F108 WeakPolarHBondContact O-CB 3.39Å; I105-F108 PolarHBondContact O-N 3.37Å; I105-F108 VanDerWaalsContact O-N 3.16Å; I105-L128 HydrophobicContact CD1-CD2 4.41Å; I105-L128 HydrophobicContact CG1-CD2 4.05Å; I105-F132 HydrophobicContact CD1-CE2 3.64Å; I105-F132 HydrophobicContact CD1-CZ 3.81Å; I105-F132 HydrophobicContact CG1-CE2 4.4Å; I105-I137 HydrophobicContact CD1-CG2 4.26Å; I105-P138 HydrophobicContact CD1-CG 3.97Å; I105-L141 HydrophobicContact CB-CD1 4.16Å; I105-L141 HydrophobicContact CD1-CD1 4.24Å; I105-L141 HydrophobicContact CG2-CB 4.27Å; I105-L141 HydrophobicContact CG2-CD1 3.86Å; I105-W155 HydrophobicContact CG2-CH2 4.48Å; I105-W155 HydrophobicContact CG2-CZ3 4.41Å |
| 106 | F | 87.8 | Confident | 87.4 | Confident | 107 Ų | 107 | 55 Ų | 55 | 47% | 0.469 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.4 | -36.1 | 175.3 | -77.3 | -69.9 | 0 | 0 | 0 | 112.1 | Y102 E103 F108 D109 L141 | Y102-F106 WeakPolarHBondContact O-CD2 3.5Å; Y102-F106 PolarHBondContact O-N 2.76Å; Y102-F106 VanDerWaalsContact O-N 3.1Å; E103-F106 WeakPolarHBondContact O-CB 3.41Å; E103-F106 PolarHBondContact O-N 3.19Å; E103-F106 VanDerWaalsContact O-N 3.15Å; F106-F108 PolarHBondContact O-N 3.04Å; F106-D109 WeakPolarHBondContact O-CB 3.4Å; F106-D109 PolarHBondContact O-N 3.23Å; F106-L141 HydrophobicContact CE1-CD2 4.38Å; F106-L141 HydrophobicContact CE2-CD2 4.06Å; F106-L141 HydrophobicContact CZ-CD2 3.66Å |
| 107 | C | 90.9 | Very high | 87.6 | Confident | 31 Ų | 31 | 56 Ų | 56 | 21% | 0.209 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -7 | 177.3 | -68.2 | 0 | 0 | 0 | 0 | 114.4 | A51 E103 V104 I105 D109 T110 | A51-C107 HydrophobicContact CB-CB 3.59Å; E103-C107 PolarHBondContact O-N 3.02Å; E103-C107 PolarHBondContact O-SG 3.46Å; V104-C107 PolarHBondContact O-N 3.2Å; I105-C107 VanDerWaalsContact C-N 3.27Å; I105-C107 PolarHBondContact O-N 2.79Å; C107-D109 PolarHBondContact O-N 2.91Å; C107-T110 WeakPolarHBondContact O-CG2 3.45Å |
| 108 | F | 92.2 | Very high | 88 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -11.6 | 169.3 | -71.4 | -52.6 | 0 | 0 | 0 | 113.2 | A51 V54 V104 I105 F106 T110 F113 L124 L128 W146 W155 | A51-F108 HydrophobicContact CB-CD1 3.9Å; A51-F108 HydrophobicContact CB-CE1 3.92Å; V54-F108 HydrophobicContact CB-CE1 4.16Å; V54-F108 HydrophobicContact CB-CZ 4.25Å; V54-F108 HydrophobicContact CG1-CE1 4.02Å; V54-F108 HydrophobicContact CG1-CZ 3.87Å; V104-F108 HydrophobicContact CG1-CE2 4.15Å; V104-F108 HydrophobicContact CG1-CZ 4.08Å; V104-F108 WeakPolarHBondContact O-CD2 3.5Å; V104-F108 PolarHBondContact O-N 3.48Å; I105-F108 WeakPolarHBondContact O-CB 3.39Å; I105-F108 PolarHBondContact O-N 3.37Å; I105-F108 VanDerWaalsContact O-N 3.16Å; F106-F108 PolarHBondContact O-N 3.04Å; F108-T110 PolarHBondContact O-N 3.26Å; F108-F113 HydrophobicContact CB-CD1 4.08Å; F108-F113 HydrophobicContact CB-CD2 4.24Å; F108-F113 HydrophobicContact CB-CE1 4.16Å; F108-F113 HydrophobicContact CB-CE2 4.31Å; F108-F113 HydrophobicContact CB-CG 4.11Å; F108-F113 HydrophobicContact CB-CZ 4.26Å; F108-F113 AromaticContact CD1-CD2 3.58Å; F108-F113 HydrophobicContact CD1-CD2 3.58Å; F108-F113 AromaticContact CD1-CE2 3.58Å; F108-F113 HydrophobicContact CD1-CE2 3.58Å; F108-F113 HydrophobicContact CD1-CG 4.24Å; F108-F113 HydrophobicContact CD1-CZ 4.26Å; F108-F113 HydrophobicContact CE1-CD2 4.25Å; F108-F113 HydrophobicContact CE1-CE2 4.01Å; F108-F113 HydrophobicContact CG-CD2 4.12Å; F108-F113 AromaticContact CG-CE2 3.92Å; F108-F113 HydrophobicContact CG-CE2 3.92Å; F108-F113 HydrophobicContact CG-CG 4.48Å; F108-F113 HydrophobicContact CG-CZ 4.12Å; F108-F113 VanDerWaalsContact O-CB 3.29Å; F108-F113 WeakPolarHBondContact O-CB 3.34Å; F108-L124 HydrophobicContact CE1-CD1 4.46Å; F108-L124 HydrophobicContact CE2-CD1 4.13Å; F108-L124 HydrophobicContact CZ-CD1 3.87Å; F108-L128 HydrophobicContact CE2-CD2 4.22Å; F108-W146 HydrophobicContact CB-CH2 3.82Å; F108-W146 HydrophobicContact CB-CZ3 4.11Å; F108-W155 HydrophobicContact CD2-CH2 4.32Å; F108-W155 AromaticContact CD2-CZ3 4Å; F108-W155 HydrophobicContact CD2-CZ3 4Å |
| 109 | D | 92 | Very high | 88.2 | Confident | 35 Ų | 35 | 52.6 Ų | 52.6 | 19% | 0.187 | 27% | 0.274 | C | S | . | . | trans | -69.9 | 70.6 | 173.6 | -170.6 | 4.5 | 0 | 0 | 0 | 111.1 | F106 C107 W146 E147 N148 | F106-D109 WeakPolarHBondContact O-CB 3.4Å; F106-D109 PolarHBondContact O-N 3.23Å; C107-D109 PolarHBondContact O-N 2.91Å; D109-W146 HydrophobicContact CB-CB 4.46Å; D109-W146 HydrophobicContact CB-CD2 3.85Å; D109-W146 HydrophobicContact CB-CE3 3.62Å; D109-W146 HydrophobicContact CB-CG 4.25Å; D109-W146 HydrophobicContact CB-CZ3 4.12Å; D109-W146 VanDerWaalsContact OD2-CA 3.31Å; D109-W146 WeakPolarHBondContact OD2-CA 3.28Å; D109-W146 WeakPolarHBondContact OD2-CB 3.28Å; D109-E147 PolarHBondContact OD1-N 3.49Å; D109-E147 PolarHBondContact OD2-N 3.48Å; D109-N148 VanDerWaalsContact C-ND2 3.31Å; D109-N148 PolarHBondContact O-ND2 3.45Å; D109-N148 WeakPolarHBondContact OD1-CA 3.41Å; D109-N148 WeakPolarHBondContact OD1-CB 3.29Å; D109-N148 PolarHBondContact OD1-N 3.45Å; D109-N148 PolarHBondContact OD1-ND2 3.09Å | ||
| 110 | T | 87.8 | Confident | 88.4 | Confident | 31 Ų | 31 | 51.7 Ų | 51.7 | 19% | 0.19 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -138.9 | 148.4 | -179.5 | 61.6 | 0 | 0 | 0 | 0 | 109.5 | C107 F108 S112 F113 | C107-T110 WeakPolarHBondContact O-CG2 3.45Å; F108-T110 PolarHBondContact O-N 3.26Å; T110-S112 PolarHBondContact O-N 3.27Å; T110-S112 VanDerWaalsContact O-N 3.13Å; T110-S112 PolarHBondContact OG1-OG 2.92Å; T110-F113 PolarHBondContact O-N 3.3Å; T110-F113 VanDerWaalsContact O-N 3.12Å |
| 111 | P | 83 | Confident | 88.7 | Confident | 103 Ų | 103 | 47.7 Ų | 47.7 | 67% | 0.669 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -15.7 | -179.4 | 25.2 | -32.2 | 0 | 0 | 0 | 113.4 | N148 | P111-N148 WeakPolarHBondContact CD-OD1 3.47Š|
| 112 | S | 81.7 | Confident | 88.7 | Confident | 66 Ų | 66 | 48.8 Ų | 48.8 | 46% | 0.462 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -17.5 | 175.2 | 42 | 0 | 0 | 0 | 0 | 114.4 | T55 T110 | T55-S112 WeakPolarHBondContact CG2-O 3.28Å; T110-S112 PolarHBondContact O-N 3.27Å; T110-S112 VanDerWaalsContact O-N 3.13Å; T110-S112 PolarHBondContact OG1-OG 2.92Å |
| 113 | F | 91.7 | Very high | 88.6 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | trans | -88.6 | 112 | -175.9 | -179.7 | -101.6 | 0 | 0 | 0 | 111 | T55 F108 T110 I115 L124 W146 A151 W155 | T55-F113 HydrophobicContact CG2-CB 4.17Å; T55-F113 HydrophobicContact CG2-CD2 3.99Å; T55-F113 WeakPolarHBondContact OG1-CD2 3.41Å; F108-F113 HydrophobicContact CB-CD1 4.08Å; F108-F113 HydrophobicContact CB-CD2 4.24Å; F108-F113 HydrophobicContact CB-CE1 4.16Å; F108-F113 HydrophobicContact CB-CE2 4.31Å; F108-F113 HydrophobicContact CB-CG 4.11Å; F108-F113 HydrophobicContact CB-CZ 4.26Å; F108-F113 AromaticContact CD1-CD2 3.58Å; F108-F113 HydrophobicContact CD1-CD2 3.58Å; F108-F113 AromaticContact CD1-CE2 3.58Å; F108-F113 HydrophobicContact CD1-CE2 3.58Å; F108-F113 HydrophobicContact CD1-CG 4.24Å; F108-F113 HydrophobicContact CD1-CZ 4.26Å; F108-F113 HydrophobicContact CE1-CD2 4.25Å; F108-F113 HydrophobicContact CE1-CE2 4.01Å; F108-F113 HydrophobicContact CG-CD2 4.12Å; F108-F113 AromaticContact CG-CE2 3.92Å; F108-F113 HydrophobicContact CG-CE2 3.92Å; F108-F113 HydrophobicContact CG-CG 4.48Å; F108-F113 HydrophobicContact CG-CZ 4.12Å; F108-F113 VanDerWaalsContact O-CB 3.29Å; F108-F113 WeakPolarHBondContact O-CB 3.34Å; T110-F113 PolarHBondContact O-N 3.3Å; T110-F113 VanDerWaalsContact O-N 3.12Å; F113-I115 HydrophobicContact CE1-CD1 4.33Å; F113-I115 HydrophobicContact CE1-CG1 4.1Å; F113-I115 HydrophobicContact CZ-CD1 3.92Å; F113-I115 HydrophobicContact CZ-CG1 3.86Å; F113-L124 HydrophobicContact CE2-CD1 4.37Å; F113-L124 HydrophobicContact CE2-CD2 4.13Å; F113-L124 HydrophobicContact CZ-CD2 3.64Å; F113-W146 HydrophobicContact CD1-CZ3 4.46Å; F113-A151 HydrophobicContact CB-CB 4.4Å; F113-A151 HydrophobicContact CD1-CB 4.15Å; F113-A151 VanDerWaalsContact O-CA 3.28Å; F113-A151 WeakPolarHBondContact O-CA 3.33Å; F113-A151 WeakPolarHBondContact O-CB 3.27Å; F113-W155 HydrophobicContact CE1-CB 4.48Å; F113-W155 HydrophobicContact CE1-CD2 4.3Å; F113-W155 AromaticContact CE1-CE3 3.7Å; F113-W155 HydrophobicContact CE1-CE3 3.7Å; F113-W155 HydrophobicContact CE1-CZ3 4.33Å; F113-W155 HydrophobicContact CZ-CD2 4.31Å; F113-W155 AromaticContact CZ-CE3 3.85Å; F113-W155 HydrophobicContact CZ-CE3 3.85Å; F113-W155 HydrophobicContact CZ-CZ3 4.21Å | ||
| 114 | V | 88.5 | Confident | 88.9 | Confident | 59 Ų | 59 | 39.9 Ų | 39.9 | 36% | 0.358 | 22% | 0.223 | S | C | . | . | trans | -141.2 | 122.4 | 177.8 | -178.4 | 0 | 0 | 0 | 0 | 110 | L59 K116 | L59-V114 WeakPolarHBondContact CD2-O 3.44Å; V114-K116 HydrophobicContact CG1-CG 4.37Å; V114-K116 PolarHBondContact O-N 3.28Å | ||
| 115 | I | 90.8 | Very high | 89 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | trans | -88.6 | 104.6 | 174.8 | -50 | -167.6 | 0 | 0 | 0 | 109.3 | F113 C120 L121 L124 S154 W155 Q158 | F113-I115 HydrophobicContact CE1-CD1 4.33Å; F113-I115 HydrophobicContact CE1-CG1 4.1Å; F113-I115 HydrophobicContact CZ-CD1 3.92Å; F113-I115 HydrophobicContact CZ-CG1 3.86Å; I115-C120 HydrophobicContact CG2-CB 3.75Å; I115-L121 HydrophobicContact CD1-CD1 4.22Å; I115-L121 HydrophobicContact CG2-CB 3.97Å; I115-L124 HydrophobicContact CD1-CD2 3.37Å; I115-L124 HydrophobicContact CG1-CD2 4.38Å; I115-S154 PolarHBondContact N-OG 3.14Å; I115-W155 HydrophobicContact CD1-CB 3.71Å; I115-W155 HydrophobicContact CD1-CD2 3.89Å; I115-W155 HydrophobicContact CD1-CG 3.37Å; I115-W155 HydrophobicContact CG1-CB 4.28Å; I115-W155 HydrophobicContact CG1-CG 4.41Å; I115-Q158 HydrophobicContact CB-CG 4.26Å; I115-Q158 HydrophobicContact CG2-CB 4.15Å; I115-Q158 HydrophobicContact CG2-CG 3.9Å; I115-Q158 WeakPolarHBondContact O-CG 3.46Å | ||
| 116 | K | 84.6 | Confident | 89 | Confident | 106 Ų | 106 | 42.4 Ų | 42.4 | 46% | 0.461 | 24% | 0.239 | S | C | . | . | trans | -79.9 | -31.6 | -172.4 | -66.1 | -176.1 | 176.2 | -175.2 | 0 | 114.6 | L59 D62 E65 V114 | L59-K116 HydrophobicContact CD2-CD 4.4Å; L59-K116 HydrophobicContact CD2-CG 4.36Å; D62-K116 WeakPolarHBondContact OD2-CD 3.42Å; E65-K116 IonicContact OE1-NZ 3.04Å; V114-K116 HydrophobicContact CG1-CG 4.37Å; V114-K116 PolarHBondContact O-N 3.28Å | ||
| 117 | N | 87.4 | Confident | 89.2 | Confident | 44 Ų | 44 | 37.3 Ų | 37.3 | 24% | 0.235 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -157.7 | 172.9 | -172.9 | 58.5 | 33.8 | 0 | 0 | 0 | 112.8 | D62 A119 C120 L121 Q158 | D62-N117 PolarHBondContact OD1-ND2 3.04Å; N117-A119 PolarHBondContact O-N 3.27Å; N117-A119 WeakPolarHBondContact OD1-CB 3.23Å; N117-A119 PolarHBondContact OD1-N 3.07Å; N117-C120 WeakPolarHBondContact O-CB 3.09Å; N117-C120 PolarHBondContact O-N 3.47Å; N117-C120 VanDerWaalsContact O-N 3.08Å; N117-C120 PolarHBondContact OD1-N 2.95Å; N117-C120 PolarHBondContact OD1-SG 3.08Å; N117-L121 PolarHBondContact O-N 3.37Å; N117-Q158 VanDerWaalsContact C-OE1 3.26Å |
| 118 | R | 90.7 | Very high | 89.3 | Confident | 119 Ų | 119 | 35.9 Ų | 35.9 | 45% | 0.449 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -52.1 | -35.4 | 175.8 | -172.9 | -179.4 | -177.1 | -84.7 | 0.7 | 113.4 | L121 S122 N162 D164 V165 | R118-L121 PolarHBondContact O-N 2.99Å; R118-S122 VanDerWaalsContact O-CB 3.3Å; R118-S122 WeakPolarHBondContact O-CB 3.31Å; R118-S122 PolarHBondContact O-N 3.02Å; R118-N162 WeakPolarHBondContact CB-OD1 3.43Å; R118-N162 WeakPolarHBondContact CD-OD1 3.47Å; R118-N162 HydrophobicContact CG-CB 4.35Å; R118-N162 VanDerWaalsContact CG-OD1 3.26Å; R118-N162 WeakPolarHBondContact CG-OD1 3.27Å; R118-D164 IonicContact CZ-OD2 3.8Å; R118-D164 IonicContact NE-OD2 3.72Å; R118-D164 IonicContact NH2-OD2 3.68Å; R118-D164 PolarHBondContact NH2-OD2 3.41Å; R118-V165 HydrophobicContact CG-CG2 4.28Å |
| 119 | A | 85 | Confident | 89.1 | Confident | 57 Ų | 57 | 37.6 Ų | 37.6 | 47% | 0.471 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68 | -43.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N117 S123 | N117-A119 PolarHBondContact O-N 3.27Å; N117-A119 WeakPolarHBondContact OD1-CB 3.23Å; N117-A119 PolarHBondContact OD1-N 3.07Å; A119-S123 WeakPolarHBondContact O-CB 3.46Å; A119-S123 PolarHBondContact O-N 3.39Å |
| 120 | C | 89.4 | Confident | 89 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 173 | -64.4 | 0 | 0 | 0 | 0 | 111.3 | V58 I115 N117 S123 L124 | V58-C120 HydrophobicContact CG1-CB 3.79Å; V58-C120 WeakPolarHBondContact CG1-O 3.47Å; I115-C120 HydrophobicContact CG2-CB 3.75Å; N117-C120 WeakPolarHBondContact O-CB 3.09Å; N117-C120 PolarHBondContact O-N 3.47Å; N117-C120 VanDerWaalsContact O-N 3.08Å; N117-C120 PolarHBondContact OD1-N 2.95Å; N117-C120 PolarHBondContact OD1-SG 3.08Å; C120-S123 PolarHBondContact O-N 3.41Å; C120-L124 WeakPolarHBondContact O-CB 3.27Å; C120-L124 PolarHBondContact O-N 2.76Å |
| 121 | L | 92.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.5 | -53.7 | 177.1 | -178.6 | 69.1 | 0 | 0 | 0 | 111 | I115 N117 R118 S123 L124 M125 Q158 I159 N162 V165 | I115-L121 HydrophobicContact CD1-CD1 4.22Å; I115-L121 HydrophobicContact CG2-CB 3.97Å; N117-L121 PolarHBondContact O-N 3.37Å; R118-L121 PolarHBondContact O-N 2.99Å; L121-S123 VanDerWaalsContact C-N 3.25Å; L121-S123 PolarHBondContact O-N 3.24Å; L121-L124 PolarHBondContact O-N 2.89Å; L121-M125 HydrophobicContact CD1-CG 3.99Å; L121-M125 HydrophobicContact CD1-SD 4.37Å; L121-M125 HydrophobicContact CG-CG 4.14Å; L121-M125 WeakPolarHBondContact O-CB 3.45Å; L121-M125 WeakPolarHBondContact O-CG 3.23Å; L121-M125 PolarHBondContact O-N 2.86Å; L121-Q158 HydrophobicContact CB-CB 4.42Å; L121-Q158 HydrophobicContact CD1-CB 4.5Å; L121-Q158 HydrophobicContact CD2-CB 4.2Å; L121-Q158 WeakPolarHBondContact CD2-O 3.36Å; L121-I159 HydrophobicContact CD1-CG1 3.99Å; L121-N162 HydrophobicContact CD2-CB 4.07Å; L121-V165 HydrophobicContact CD2-CB 4.33Å; L121-V165 HydrophobicContact CD2-CG1 4.27Å; L121-V165 HydrophobicContact CG-CG1 4.34Å |
| 122 | S | 89.8 | Confident | 89.2 | Confident | 46 Ų | 46 | 31.8 Ų | 31.8 | 32% | 0.322 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.1 | -38.5 | -179.6 | -178.5 | 0 | 0 | 0 | 0 | 111.9 | R118 S126 | R118-S122 VanDerWaalsContact O-CB 3.3Å; R118-S122 WeakPolarHBondContact O-CB 3.31Å; R118-S122 PolarHBondContact O-N 3.02Å; S122-S126 VanDerWaalsContact O-CB 3.31Å; S122-S126 WeakPolarHBondContact O-CB 3.46Å; S122-S126 PolarHBondContact O-N 3.36Å; S122-S126 PolarHBondContact O-OG 2.9Å |
| 123 | S | 88 | Confident | 89.4 | Confident | 19 Ų | 19 | 34.5 Ų | 34.5 | 13% | 0.133 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.9 | -48.1 | 175.4 | -165.1 | 0 | 0 | 0 | 0 | 112.1 | P85 A119 C120 L121 S126 V127 | P85-S123 WeakPolarHBondContact CG-OG 3.04Å; A119-S123 WeakPolarHBondContact O-CB 3.46Å; A119-S123 PolarHBondContact O-N 3.39Å; C120-S123 PolarHBondContact O-N 3.41Å; L121-S123 VanDerWaalsContact C-N 3.25Å; L121-S123 PolarHBondContact O-N 3.24Å; S123-S126 PolarHBondContact O-N 3.48Å; S123-V127 WeakPolarHBondContact O-CG2 3.45Å; S123-V127 PolarHBondContact O-N 2.96Å |
| 124 | L | 93.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.9 | -47.1 | 176.5 | 179.7 | 68.7 | 0 | 0 | 0 | 111.8 | V54 V58 F108 F113 I115 C120 L121 S126 V127 L128 W155 | V54-L124 HydrophobicContact CG1-CD1 3.99Å; V58-L124 HydrophobicContact CG1-CB 4.45Å; V58-L124 HydrophobicContact CG2-CB 4.35Å; F108-L124 HydrophobicContact CE1-CD1 4.46Å; F108-L124 HydrophobicContact CE2-CD1 4.13Å; F108-L124 HydrophobicContact CZ-CD1 3.87Å; F113-L124 HydrophobicContact CE2-CD1 4.37Å; F113-L124 HydrophobicContact CE2-CD2 4.13Å; F113-L124 HydrophobicContact CZ-CD2 3.64Å; I115-L124 HydrophobicContact CD1-CD2 3.37Å; I115-L124 HydrophobicContact CG1-CD2 4.38Å; C120-L124 WeakPolarHBondContact O-CB 3.27Å; C120-L124 PolarHBondContact O-N 2.76Å; L121-L124 PolarHBondContact O-N 2.89Å; L124-S126 VanDerWaalsContact C-N 3.26Å; L124-S126 PolarHBondContact O-N 3.41Å; L124-V127 WeakPolarHBondContact O-CB 3.35Å; L124-V127 PolarHBondContact O-N 3.44Å; L124-V127 VanDerWaalsContact O-N 3.12Å; L124-L128 HydrophobicContact CD1-CD1 4.29Å; L124-L128 HydrophobicContact CD1-CG 4.37Å; L124-L128 HydrophobicContact CG-CD1 4.01Å; L124-L128 HydrophobicContact CG-CG 4.44Å; L124-L128 WeakPolarHBondContact O-CG 3.37Å; L124-L128 PolarHBondContact O-N 3.09Å; L124-W155 HydrophobicContact CD2-CD2 4.05Å; L124-W155 HydrophobicContact CD2-CE3 4.42Å; L124-W155 HydrophobicContact CD2-CH2 4.03Å; L124-W155 HydrophobicContact CD2-CZ2 3.59Å; L124-W155 HydrophobicContact CD2-CZ3 4.41Å; L124-W155 HydrophobicContact CG-CZ2 4.35Å |
| 125 | M | 92.6 | Very high | 88.5 | Confident | 15 Ų | 15 | 43.1 Ų | 43.1 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.8 | -36 | 179.2 | -65.3 | -49.5 | -71.9 | 0 | 0 | 111.3 | L121 L128 S129 I137 L139 W155 V165 V166 | L121-M125 HydrophobicContact CD1-CG 3.99Å; L121-M125 HydrophobicContact CD1-SD 4.37Å; L121-M125 HydrophobicContact CG-CG 4.14Å; L121-M125 WeakPolarHBondContact O-CB 3.45Å; L121-M125 WeakPolarHBondContact O-CG 3.23Å; L121-M125 PolarHBondContact O-N 2.86Å; M125-L128 HydrophobicContact SD-CD1 4.48Å; M125-S129 WeakPolarHBondContact O-CB 3.49Å; M125-S129 PolarHBondContact O-N 3.44Å; M125-I137 HydrophobicContact CE-CB 4.37Å; M125-I137 HydrophobicContact CE-CD1 3.3Å; M125-I137 HydrophobicContact CE-CG1 4.42Å; M125-I137 HydrophobicContact CE-CG2 4.47Å; M125-I137 HydrophobicContact SD-CD1 4.21Å; M125-L139 HydrophobicContact CE-CD2 4.43Å; M125-W155 HydrophobicContact SD-CZ2 4.26Å; M125-V165 HydrophobicContact CG-CG1 4.39Å; M125-V166 HydrophobicContact CE-CB 3.84Å; M125-V166 HydrophobicContact CE-CG1 3.91Å; M125-V166 HydrophobicContact CE-CG2 3.65Å |
| 126 | S | 89.6 | Confident | 87.7 | Confident | 41 Ų | 41 | 47.6 Ų | 47.6 | 29% | 0.287 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 174 | -59 | 0 | 0 | 0 | 0 | 112.6 | I86 S122 S123 L124 V130 | I86-S126 VanDerWaalsContact CD1-CB 3.45Å; S122-S126 VanDerWaalsContact O-CB 3.31Å; S122-S126 WeakPolarHBondContact O-CB 3.46Å; S122-S126 PolarHBondContact O-N 3.36Å; S122-S126 PolarHBondContact O-OG 2.9Å; S123-S126 PolarHBondContact O-N 3.48Å; L124-S126 VanDerWaalsContact C-N 3.26Å; L124-S126 PolarHBondContact O-N 3.41Å; S126-V130 WeakPolarHBondContact O-CG2 3.33Å; S126-V130 PolarHBondContact O-N 3.11Å; S126-V130 VanDerWaalsContact O-N 3.08Å |
| 127 | V | 91.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.6 | -49.7 | 174.3 | 166.5 | 0 | 0 | 0 | 0 | 111 | V54 P85 A89 W101 S123 L124 S129 V130 G131 | V54-V127 HydrophobicContact CG1-CG1 4.06Å; V54-V127 HydrophobicContact CG2-CG1 4.1Å; P85-V127 HydrophobicContact CB-CG2 3.29Å; A89-V127 HydrophobicContact CB-CG1 4.11Å; W101-V127 HydrophobicContact CH2-CG1 4.49Å; W101-V127 HydrophobicContact CZ3-CG1 4.19Å; S123-V127 WeakPolarHBondContact O-CG2 3.45Å; S123-V127 PolarHBondContact O-N 2.96Å; L124-V127 WeakPolarHBondContact O-CB 3.35Å; L124-V127 PolarHBondContact O-N 3.44Å; L124-V127 VanDerWaalsContact O-N 3.12Å; V127-S129 VanDerWaalsContact C-N 3.33Å; V127-S129 PolarHBondContact O-N 3.01Å; V127-V130 PolarHBondContact O-N 3.4Å; V127-G131 PolarHBondContact O-N 2.94Å |
| 128 | L | 91.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.2 | -39.7 | 179.2 | -69.4 | 175.3 | 0 | 0 | 0 | 111.3 | W101 I105 F108 L124 M125 V130 G131 F132 I137 W155 | W101-L128 HydrophobicContact CE3-CD2 4.31Å; I105-L128 HydrophobicContact CD1-CD2 4.41Å; I105-L128 HydrophobicContact CG1-CD2 4.05Å; F108-L128 HydrophobicContact CE2-CD2 4.22Å; L124-L128 HydrophobicContact CD1-CD1 4.29Å; L124-L128 HydrophobicContact CD1-CG 4.37Å; L124-L128 HydrophobicContact CG-CD1 4.01Å; L124-L128 HydrophobicContact CG-CG 4.44Å; L124-L128 WeakPolarHBondContact O-CG 3.37Å; L124-L128 PolarHBondContact O-N 3.09Å; M125-L128 HydrophobicContact SD-CD1 4.48Å; L128-V130 VanDerWaalsContact C-N 3.34Å; L128-V130 PolarHBondContact O-N 2.86Å; L128-G131 WeakPolarHBondContact O-CA 3.42Å; L128-G131 PolarHBondContact O-N 3.39Å; L128-G131 VanDerWaalsContact O-N 3.1Å; L128-F132 HydrophobicContact CB-CD2 4.44Å; L128-F132 HydrophobicContact CD2-CE2 4.29Å; L128-F132 VanDerWaalsContact O-CD2 3.32Å; L128-F132 WeakPolarHBondContact O-CD2 3.5Å; L128-F132 PolarHBondContact O-N 3.42Å; L128-I137 HydrophobicContact CB-CD1 3.64Å; L128-I137 HydrophobicContact CB-CG1 3.95Å; L128-I137 HydrophobicContact CB-CG2 4.38Å; L128-I137 HydrophobicContact CD1-CG2 4.07Å; L128-W155 HydrophobicContact CD1-CH2 3.62Å; L128-W155 HydrophobicContact CD1-CZ2 3.55Å |
| 129 | S | 89.2 | Confident | 87 | Confident | 38 Ų | 38 | 36 Ų | 36 | 27% | 0.266 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 174.1 | -175.6 | 0 | 0 | 0 | 0 | 111 | M125 V127 G131 F132 Q133 N134 | M125-S129 WeakPolarHBondContact O-CB 3.49Å; M125-S129 PolarHBondContact O-N 3.44Å; V127-S129 VanDerWaalsContact C-N 3.33Å; V127-S129 PolarHBondContact O-N 3.01Å; S129-G131 VanDerWaalsContact C-N 3.32Å; S129-G131 PolarHBondContact O-N 2.85Å; S129-F132 CarbonylContact O-C 3.38Å; S129-Q133 PolarHBondContact O-N 2.94Å; S129-N134 WeakPolarHBondContact O-CA 3.34Å; S129-N134 PolarHBondContact O-N 3.49Å; S129-N134 PolarHBondContact OG-OD1 2.86Å |
| 130 | V | 88.7 | Confident | 86.8 | Confident | 23 Ų | 23 | 40 Ų | 40 | 14% | 0.139 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.7 | -39.1 | 173.7 | 171.5 | 0 | 0 | 0 | 0 | 112.3 | I86 A89 K90 R93 S126 V127 L128 Q133 | I86-V130 HydrophobicContact CG2-CG2 4.11Å; A89-V130 HydrophobicContact CB-CB 4.08Å; A89-V130 HydrophobicContact CB-CG1 3.8Å; K90-V130 HydrophobicContact CG-CG1 3.83Å; R93-V130 WeakPolarHBondContact CD-O 3.4Å; S126-V130 WeakPolarHBondContact O-CG2 3.33Å; S126-V130 PolarHBondContact O-N 3.11Å; S126-V130 VanDerWaalsContact O-N 3.08Å; V127-V130 PolarHBondContact O-N 3.4Å; L128-V130 VanDerWaalsContact C-N 3.34Å; L128-V130 PolarHBondContact O-N 2.86Å; V130-Q133 PolarHBondContact O-N 3.07Å |
| 131 | G | 87.2 | Confident | 86.6 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.5 | -51.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | W101 V127 L128 S129 Q133 | W101-G131 VanDerWaalsContact CD2-CA 3.42Å; W101-G131 VanDerWaalsContact CZ2-CA 3.4Å; W101-G131 PolarHBondContact NE1-O 3.34Å; V127-G131 PolarHBondContact O-N 2.94Å; L128-G131 WeakPolarHBondContact O-CA 3.42Å; L128-G131 PolarHBondContact O-N 3.39Å; L128-G131 VanDerWaalsContact O-N 3.1Å; S129-G131 VanDerWaalsContact C-N 3.32Å; S129-G131 PolarHBondContact O-N 2.85Å; G131-Q133 PolarHBondContact O-N 3.3Å |
| 132 | F | 88.7 | Confident | 86.4 | Confident | 20 Ų | 20 | 40.8 Ų | 40.8 | 9% | 0.088 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 10.9 | 173.5 | -71 | -75.5 | 0 | 0 | 0 | 113.5 | W101 Y102 I105 L128 S129 N134 E135 I137 P138 | W101-F132 HydrophobicContact CB-CD1 4.28Å; W101-F132 HydrophobicContact CB-CD2 4.32Å; W101-F132 HydrophobicContact CB-CE1 3.78Å; W101-F132 HydrophobicContact CB-CE2 3.82Å; W101-F132 HydrophobicContact CB-CZ 3.53Å; Y102-F132 AromaticContact CD2-CE1 3.79Å; Y102-F132 HydrophobicContact CD2-CE1 3.79Å; Y102-F132 HydrophobicContact CD2-CZ 4.37Å; Y102-F132 HydrophobicContact CE2-CD1 4.43Å; Y102-F132 AromaticContact CE2-CE1 3.61Å; Y102-F132 HydrophobicContact CE2-CE1 3.61Å; Y102-F132 HydrophobicContact CG-CE1 4.36Å; I105-F132 HydrophobicContact CD1-CE2 3.64Å; I105-F132 HydrophobicContact CD1-CZ 3.81Å; I105-F132 HydrophobicContact CG1-CE2 4.4Å; L128-F132 HydrophobicContact CB-CD2 4.44Å; L128-F132 HydrophobicContact CD2-CE2 4.29Å; L128-F132 VanDerWaalsContact O-CD2 3.32Å; L128-F132 WeakPolarHBondContact O-CD2 3.5Å; L128-F132 PolarHBondContact O-N 3.42Å; S129-F132 CarbonylContact O-C 3.38Å; F132-N134 VanDerWaalsContact C-N 3.26Å; F132-N134 PolarHBondContact O-N 2.95Å; F132-E135 HydrophobicContact CB-CB 4.46Å; F132-E135 VanDerWaalsContact O-CB 3.26Å; F132-E135 WeakPolarHBondContact O-CB 3.4Å; F132-E135 PolarHBondContact O-N 3.35Å; F132-I137 HydrophobicContact CD2-CG1 4.25Å; F132-P138 HydrophobicContact CE1-CG 4.12Å; F132-P138 HydrophobicContact CE2-CG 4.39Å; F132-P138 HydrophobicContact CZ-CG 3.81Å |
| 133 | Q | 85.4 | Confident | 86.4 | Confident | 124 Ų | 124 | 40.1 Ų | 40.1 | 58% | 0.579 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 34.5 | 175.6 | -32.6 | -163.9 | 23.1 | 0 | 0 | 114.3 | S129 V130 G131 E135 | S129-Q133 PolarHBondContact O-N 2.94Å; V130-Q133 PolarHBondContact O-N 3.07Å; G131-Q133 PolarHBondContact O-N 3.3Å; Q133-E135 PolarHBondContact O-N 3.14Å |
| 134 | N | 80.1 | Confident | 86.3 | Confident | 108 Ų | 108 | 43.2 Ų | 43.2 | 58% | 0.578 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 10 | -173.1 | -49 | -35.7 | 0 | 0 | 0 | 114.6 | S129 F132 | S129-N134 WeakPolarHBondContact O-CA 3.34Å; S129-N134 PolarHBondContact O-N 3.49Å; S129-N134 PolarHBondContact OG-OD1 2.86Å; F132-N134 VanDerWaalsContact C-N 3.26Å; F132-N134 PolarHBondContact O-N 2.95Å |
| 135 | E | 80.5 | Confident | 86 | Confident | 135 Ų | 135 | 51.1 Ų | 51.1 | 63% | 0.631 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -67.5 | 153.3 | 164.1 | -69.4 | -158.9 | 175 | 0 | 0 | 111 | F132 Q133 I137 | F132-E135 HydrophobicContact CB-CB 4.46Å; F132-E135 VanDerWaalsContact O-CB 3.26Å; F132-E135 WeakPolarHBondContact O-CB 3.4Å; F132-E135 PolarHBondContact O-N 3.35Å; Q133-E135 PolarHBondContact O-N 3.14Å; E135-I137 PolarHBondContact O-N 3.32Å |
| 136 | P | 74.3 | Confident | 85.9 | Confident | 101 Ų | 101 | 51.6 Ų | 51.6 | 66% | 0.656 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 125.7 | -179.6 | 20.8 | -31.9 | 0 | 0 | 0 | 111.9 | Y171 | P136-Y171 HydrophobicContact CB-CE1 4.04Š|
| 137 | I | 84.6 | Confident | 85.8 | Confident | 11 Ų | 11 | 58 Ų | 58 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 128.1 | -176.7 | -64.9 | 160 | 0 | 0 | 0 | 108.6 | I105 M125 L128 F132 E135 L139 Y171 | I105-I137 HydrophobicContact CD1-CG2 4.26Å; M125-I137 HydrophobicContact CE-CB 4.37Å; M125-I137 HydrophobicContact CE-CD1 3.3Å; M125-I137 HydrophobicContact CE-CG1 4.42Å; M125-I137 HydrophobicContact CE-CG2 4.47Å; M125-I137 HydrophobicContact SD-CD1 4.21Å; L128-I137 HydrophobicContact CB-CD1 3.64Å; L128-I137 HydrophobicContact CB-CG1 3.95Å; L128-I137 HydrophobicContact CB-CG2 4.38Å; L128-I137 HydrophobicContact CD1-CG2 4.07Å; F132-I137 HydrophobicContact CD2-CG1 4.25Å; E135-I137 PolarHBondContact O-N 3.32Å; I137-L139 HydrophobicContact CG2-CD2 4.06Å; I137-L139 PolarHBondContact O-N 3.32Å; I137-Y171 WeakPolarHBondContact O-CE1 3.44Å; I137-Y171 PolarHBondContact O-OH 3.41Å |
| 138 | P | 82.1 | Confident | 85.8 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 8% | 0.078 | 29% | 0.294 | C | S | . | . | trans | -74 | 69 | -170.7 | 31.1 | -37.7 | 0 | 0 | 0 | 112.8 | Y102 I105 F132 K140 L141 | Y102-P138 HydrophobicContact CD1-CB 4.44Å; Y102-P138 HydrophobicContact CD1-CG 3.94Å; Y102-P138 HydrophobicContact CE1-CB 3.71Å; Y102-P138 HydrophobicContact CE1-CG 3.52Å; I105-P138 HydrophobicContact CD1-CG 3.97Å; F132-P138 HydrophobicContact CE1-CG 4.12Å; F132-P138 HydrophobicContact CE2-CG 4.39Å; F132-P138 HydrophobicContact CZ-CG 3.81Å; P138-K140 PolarHBondContact O-N 2.89Å; P138-L141 HydrophobicContact CB-CD1 4.33Å; P138-L141 HydrophobicContact CB-CG 4.47Å; P138-L141 HydrophobicContact CG-CD1 3.95Å; P138-L141 WeakPolarHBondContact O-CG 3.15Å; P138-L141 PolarHBondContact O-N 2.94Å | ||
| 139 | L | 83 | Confident | 85.8 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -59.8 | -17.3 | -176.6 | -66.1 | -172.4 | 0 | 0 | 0 | 113.7 | M125 I137 L141 L142 I159 V166 F168 Y171 | M125-L139 HydrophobicContact CE-CD2 4.43Å; I137-L139 HydrophobicContact CG2-CD2 4.06Å; I137-L139 PolarHBondContact O-N 3.32Å; L139-L141 PolarHBondContact O-N 3.3Å; L139-L142 HydrophobicContact CD2-CD1 3.9Å; L139-L142 VanDerWaalsContact O-CB 3.26Å; L139-L142 WeakPolarHBondContact O-CB 3.17Å; L139-L142 PolarHBondContact O-N 3.33Å; L139-I159 HydrophobicContact CD1-CD1 4.37Å; L139-I159 HydrophobicContact CD2-CD1 4.26Å; L139-V166 HydrophobicContact CD1-CG1 4.02Å; L139-V166 HydrophobicContact CD1-CG2 4.1Å; L139-F168 HydrophobicContact CB-CD1 4.33Å; L139-F168 HydrophobicContact CB-CE1 4.31Å; L139-F168 HydrophobicContact CD1-CD1 4.14Å; L139-F168 HydrophobicContact CD1-CE1 4.27Å; L139-Y171 HydrophobicContact CB-CD2 4.41Å; L139-Y171 HydrophobicContact CB-CE2 4.44Å; L139-Y171 HydrophobicContact CB-CG 4.43Å; L139-Y171 HydrophobicContact CD1-CD2 3.72Å; L139-Y171 HydrophobicContact CD1-CE2 3.29Å; L139-Y171 HydrophobicContact CG-CD2 4.29Å; L139-Y171 HydrophobicContact CG-CE1 4.28Å; L139-Y171 HydrophobicContact CG-CE2 3.86Å |
| 140 | K | 80.4 | Confident | 85.9 | Confident | 139 Ų | 139 | 65.2 Ų | 65.2 | 60% | 0.604 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -54.3 | -25.1 | 171.8 | 68.9 | 176.9 | -179 | -178.5 | 0 | 113.5 | P138 L142 F143 | P138-K140 PolarHBondContact O-N 2.89Å; K140-L142 PolarHBondContact O-N 3.19Å; K140-F143 HydrophobicContact CB-CD2 4.31Å; K140-F143 WeakPolarHBondContact O-CB 3.45Å; K140-F143 PolarHBondContact O-N 3.3Å; K140-F143 VanDerWaalsContact O-N 3.09Å |
| 141 | L | 83.8 | Confident | 85.9 | Confident | 15 Ų | 15 | 64.2 Ų | 64.2 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -64.6 | -24.8 | 175.5 | -63.3 | 175.4 | 0 | 0 | 0 | 112.4 | Y102 I105 F106 P138 L139 F143 N144 | Y102-L141 HydrophobicContact CD1-CD1 4Å; I105-L141 HydrophobicContact CB-CD1 4.16Å; I105-L141 HydrophobicContact CD1-CD1 4.24Å; I105-L141 HydrophobicContact CG2-CB 4.27Å; I105-L141 HydrophobicContact CG2-CD1 3.86Å; F106-L141 HydrophobicContact CE1-CD2 4.38Å; F106-L141 HydrophobicContact CE2-CD2 4.06Å; F106-L141 HydrophobicContact CZ-CD2 3.66Å; P138-L141 HydrophobicContact CB-CD1 4.33Å; P138-L141 HydrophobicContact CB-CG 4.47Å; P138-L141 HydrophobicContact CG-CD1 3.95Å; P138-L141 WeakPolarHBondContact O-CG 3.15Å; P138-L141 PolarHBondContact O-N 2.94Å; L139-L141 PolarHBondContact O-N 3.3Å; L141-F143 PolarHBondContact O-N 3.1Å; L141-N144 PolarHBondContact O-N 3.02Å |
| 142 | L | 88.8 | Confident | 86.3 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -74.6 | -9.7 | 174.2 | -59.9 | 175.9 | 0 | 0 | 0 | 113 | L139 K140 W146 Q152 W155 I156 I159 F168 | L139-L142 HydrophobicContact CD2-CD1 3.9Å; L139-L142 VanDerWaalsContact O-CB 3.26Å; L139-L142 WeakPolarHBondContact O-CB 3.17Å; L139-L142 PolarHBondContact O-N 3.33Å; K140-L142 PolarHBondContact O-N 3.19Å; L142-W146 HydrophobicContact CD2-CH2 4.3Å; L142-W146 HydrophobicContact CD2-CZ2 3.81Å; L142-Q152 PolarHBondContact O-NE2 2.96Å; L142-W155 HydrophobicContact CD1-CD2 4.19Å; L142-W155 HydrophobicContact CD1-CG 4.35Å; L142-W155 HydrophobicContact CD2-CD2 3.98Å; L142-W155 HydrophobicContact CD2-CE3 3.59Å; L142-W155 HydrophobicContact CD2-CZ3 3.96Å; L142-I156 HydrophobicContact CB-CG1 4.38Å; L142-I159 HydrophobicContact CD1-CD1 3.82Å; L142-F168 HydrophobicContact CD1-CE1 4.21Å; L142-F168 HydrophobicContact CD1-CZ 4.43Å |
| 143 | F | 89.5 | Confident | 86.6 | Confident | 33 Ų | 33 | 63.6 Ų | 63.6 | 15% | 0.145 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -88.7 | -6.5 | 174.8 | -54.6 | -34.5 | 0 | 0 | 0 | 112.8 | K140 L141 F168 E200 L201 I204 | K140-F143 HydrophobicContact CB-CD2 4.31Å; K140-F143 WeakPolarHBondContact O-CB 3.45Å; K140-F143 PolarHBondContact O-N 3.3Å; K140-F143 VanDerWaalsContact O-N 3.09Å; L141-F143 PolarHBondContact O-N 3.1Å; F143-F168 AromaticContact CE1-CD1 3.81Å; F143-F168 HydrophobicContact CE1-CD1 3.81Å; F143-F168 AromaticContact CE1-CE1 3.83Å; F143-F168 HydrophobicContact CE1-CE1 3.83Å; F143-F168 AromaticContact CZ-CD1 3.68Å; F143-F168 HydrophobicContact CZ-CD1 3.68Å; F143-F168 HydrophobicContact CZ-CE1 4.13Å; F143-F168 HydrophobicContact CZ-CG 4.37Å; F143-E200 HydrophobicContact CB-CB 4.19Å; F143-E200 HydrophobicContact CD1-CB 4.45Å; F143-E200 HydrophobicContact CD2-CB 3.74Å; F143-E200 HydrophobicContact CD2-CG 4.42Å; F143-E200 HydrophobicContact CE2-CB 4.21Å; F143-E200 HydrophobicContact CG-CB 3.89Å; F143-L201 HydrophobicContact CE1-CB 4.11Å; F143-L201 HydrophobicContact CE1-CD1 4.33Å; F143-I204 HydrophobicContact CD1-CG2 4.16Å |
| 144 | N | 87.8 | Confident | 87 | Confident | 84 Ų | 84 | 58.6 Ų | 58.6 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -82.6 | 147.6 | 171.1 | -62.5 | -36.2 | 0 | 0 | 0 | 109.8 | L141 W146 Q152 | L141-N144 PolarHBondContact O-N 3.02Å; N144-W146 PolarHBondContact O-N 3.49Å; N144-Q152 PolarHBondContact O-NE2 2.96Å |
| 145 | R | 85.9 | Confident | 87.7 | Confident | 166 Ų | 166 | 53.5 Ų | 53.5 | 63% | 0.626 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 125 | 174.5 | -69.1 | -173.9 | -179.9 | -166.5 | -1.3 | 110.7 | I204 D207 | R145-I204 HydrophobicContact CG-CD1 3.81Å; R145-D207 IonicContact CZ-OD1 3.88Å; R145-D207 IonicContact CZ-OD2 2.64Å; R145-D207 VanDerWaalsContact CZ-OD2 3.25Å; R145-D207 IonicContact NE-OD2 3.95Å; R145-D207 PolarHBondContact NE-OD2 2.91Å; R145-D207 IonicContact NH2-OD1 2.94Å; R145-D207 PolarHBondContact NH2-OD1 2.92Å; R145-D207 IonicContact NH2-OD2 3.26Å; R145-D207 PolarHBondContact NH2-OD2 3.08Å |
| 146 | W | 91.2 | Very high | 88.4 | Confident | 24 Ų | 24 | 47 Ų | 47 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -90 | 153.6 | 172.4 | -74.7 | 24.4 | 0 | 0 | 0 | 110.7 | F108 D109 F113 L142 N144 N148 A151 Q152 W155 | F108-W146 HydrophobicContact CB-CH2 3.82Å; F108-W146 HydrophobicContact CB-CZ3 4.11Å; D109-W146 HydrophobicContact CB-CB 4.46Å; D109-W146 HydrophobicContact CB-CD2 3.85Å; D109-W146 HydrophobicContact CB-CE3 3.62Å; D109-W146 HydrophobicContact CB-CG 4.25Å; D109-W146 HydrophobicContact CB-CZ3 4.12Å; D109-W146 VanDerWaalsContact OD2-CA 3.31Å; D109-W146 WeakPolarHBondContact OD2-CA 3.28Å; D109-W146 WeakPolarHBondContact OD2-CB 3.28Å; F113-W146 HydrophobicContact CD1-CZ3 4.46Å; L142-W146 HydrophobicContact CD2-CH2 4.3Å; L142-W146 HydrophobicContact CD2-CZ2 3.81Å; N144-W146 PolarHBondContact O-N 3.49Å; W146-N148 VanDerWaalsContact C-N 3.28Å; W146-A151 HydrophobicContact CE3-CB 4.49Å; W146-Q152 HydrophobicContact CB-CB 4.01Å; W146-Q152 HydrophobicContact CB-CG 4.41Å; W146-Q152 HydrophobicContact CD2-CB 3.89Å; W146-Q152 HydrophobicContact CD2-CG 4.15Å; W146-Q152 HydrophobicContact CE3-CB 3.86Å; W146-Q152 HydrophobicContact CG-CB 3.96Å; W146-Q152 HydrophobicContact CG-CG 4.06Å; W146-W155 HydrophobicContact CH2-CE3 4.04Å; W146-W155 HydrophobicContact CH2-CZ3 4.05Å |
| 147 | E | 87.5 | Confident | 89.3 | Confident | 176 Ų | 176 | 43.3 Ų | 43.3 | 82% | 0.822 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -67.5 | -30.1 | 172.6 | -66.3 | -170.1 | 170.3 | 0 | 0 | 111.7 | D109 P149 | D109-E147 PolarHBondContact OD1-N 3.49Å; D109-E147 PolarHBondContact OD2-N 3.48Å; E147-P149 WeakPolarHBondContact O-CD 3.49Å |
| 148 | N | 91.2 | Very high | 89.7 | Confident | 41 Ų | 41 | 43.8 Ų | 43.8 | 22% | 0.219 | 21% | 0.207 | C | C | . | . | trans | -111.4 | 82.6 | 177.4 | -55.9 | -87 | 0 | 0 | 0 | 110.5 | D109 P111 W146 E150 A151 Q152 | D109-N148 VanDerWaalsContact C-ND2 3.31Å; D109-N148 PolarHBondContact O-ND2 3.45Å; D109-N148 WeakPolarHBondContact OD1-CA 3.41Å; D109-N148 WeakPolarHBondContact OD1-CB 3.29Å; D109-N148 PolarHBondContact OD1-N 3.45Å; D109-N148 PolarHBondContact OD1-ND2 3.09Å; P111-N148 WeakPolarHBondContact CD-OD1 3.47Å; W146-N148 VanDerWaalsContact C-N 3.28Å; N148-E150 PolarHBondContact O-N 3.4Å; N148-A151 HydrophobicContact CB-CB 4.13Å; N148-A151 WeakPolarHBondContact O-CB 3.45Å; N148-A151 PolarHBondContact O-N 2.9Å; N148-A151 VanDerWaalsContact O-N 3.09Å; N148-Q152 PolarHBondContact O-N 3.44Å | ||
| 149 | P | 91.4 | Very high | 90.3 | Very high | 32 Ų | 32 | 43.3 Ų | 43.3 | 21% | 0.208 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.1 | -23.5 | -174.5 | 25.3 | -35.1 | 0 | 0 | 0 | 113.8 | E147 L153 I208 L214 | E147-P149 WeakPolarHBondContact O-CD 3.49Å; P149-L153 WeakPolarHBondContact O-CB 3.43Å; P149-L153 PolarHBondContact O-N 3.49Å; P149-I208 HydrophobicContact CB-CG2 4.22Å; P149-L214 HydrophobicContact CB-CD1 3.73Å; P149-L214 HydrophobicContact CG-CD1 3.85Å |
| 150 | E | 90.7 | Very high | 90.8 | Very high | 118 Ų | 118 | 44.7 Ų | 44.7 | 55% | 0.551 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -61.3 | -44.3 | 172.5 | -81 | 168.1 | -171.5 | 0 | 0 | 111.9 | N148 S154 L214 | N148-E150 PolarHBondContact O-N 3.4Å; E150-S154 WeakPolarHBondContact O-CB 3.38Å; E150-S154 PolarHBondContact O-N 3Å; E150-L214 HydrophobicContact CG-CD1 3.99Å; E150-L214 HydrophobicContact CG-CD2 3.35Å; E150-L214 HydrophobicContact CG-CG 4.2Å |
| 151 | A | 90.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65 | -48.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | F113 W146 N148 S154 W155 | F113-A151 HydrophobicContact CB-CB 4.4Å; F113-A151 HydrophobicContact CD1-CB 4.15Å; F113-A151 VanDerWaalsContact O-CA 3.28Å; F113-A151 WeakPolarHBondContact O-CA 3.33Å; F113-A151 WeakPolarHBondContact O-CB 3.27Å; W146-A151 HydrophobicContact CE3-CB 4.49Å; N148-A151 HydrophobicContact CB-CB 4.13Å; N148-A151 WeakPolarHBondContact O-CB 3.45Å; N148-A151 PolarHBondContact O-N 2.9Å; N148-A151 VanDerWaalsContact O-N 3.09Å; A151-S154 PolarHBondContact O-N 2.82Å; A151-S154 PolarHBondContact O-OG 3.11Å; A151-W155 PolarHBondContact O-N 2.78Å |
| 152 | Q | 94.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.6 | -49.1 | 176.9 | -174.7 | 178.1 | 15 | 0 | 0 | 112.2 | L142 N144 W146 N148 S154 W155 I156 I208 | L142-Q152 PolarHBondContact O-NE2 2.96Å; N144-Q152 PolarHBondContact O-NE2 2.96Å; W146-Q152 HydrophobicContact CB-CB 4.01Å; W146-Q152 HydrophobicContact CB-CG 4.41Å; W146-Q152 HydrophobicContact CD2-CB 3.89Å; W146-Q152 HydrophobicContact CD2-CG 4.15Å; W146-Q152 HydrophobicContact CE3-CB 3.86Å; W146-Q152 HydrophobicContact CG-CB 3.96Å; W146-Q152 HydrophobicContact CG-CG 4.06Å; N148-Q152 PolarHBondContact O-N 3.44Å; Q152-S154 VanDerWaalsContact C-N 3.34Å; Q152-S154 PolarHBondContact O-N 3.2Å; Q152-W155 PolarHBondContact O-N 2.85Å; Q152-I156 HydrophobicContact CG-CD1 3.86Å; Q152-I156 WeakPolarHBondContact O-CG1 3.46Å; Q152-I156 PolarHBondContact O-N 3.15Å; Q152-I208 HydrophobicContact CG-CD1 4.18Å |
| 153 | L | 95.3 | Very high | 91.4 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.4 | -37.7 | -179.3 | -177.1 | 61.7 | 0 | 0 | 0 | 111.9 | P149 W155 I156 S157 L205 I208 L214 A217 V218 | P149-L153 WeakPolarHBondContact O-CB 3.43Å; P149-L153 PolarHBondContact O-N 3.49Å; L153-W155 PolarHBondContact O-N 3.46Å; L153-I156 PolarHBondContact O-N 3.33Å; L153-S157 WeakPolarHBondContact O-CB 3.19Å; L153-S157 PolarHBondContact O-N 3.09Å; L153-L205 HydrophobicContact CD1-CD2 4.01Å; L153-I208 HydrophobicContact CB-CG2 4.33Å; L153-I208 HydrophobicContact CD2-CG2 4.24Å; L153-L214 HydrophobicContact CD2-CB 4.17Å; L153-A217 HydrophobicContact CD2-CB 3.76Å; L153-V218 HydrophobicContact CD1-CG2 3.9Å; L153-V218 HydrophobicContact CD2-CG2 3.69Å; L153-V218 HydrophobicContact CG-CG2 4.45Å |
| 154 | S | 93.4 | Very high | 91.1 | Very high | 18 Ų | 18 | 48.4 Ų | 48.4 | 13% | 0.126 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.9 | -38.6 | 177.3 | 79.1 | 0 | 0 | 0 | 0 | 112 | I115 E150 A151 Q152 Q158 | I115-S154 PolarHBondContact N-OG 3.14Å; E150-S154 WeakPolarHBondContact O-CB 3.38Å; E150-S154 PolarHBondContact O-N 3Å; A151-S154 PolarHBondContact O-N 2.82Å; A151-S154 PolarHBondContact O-OG 3.11Å; Q152-S154 VanDerWaalsContact C-N 3.34Å; Q152-S154 PolarHBondContact O-N 3.2Å; S154-Q158 WeakPolarHBondContact O-CG 3.31Å; S154-Q158 PolarHBondContact O-N 3.25Å |
| 155 | W | 94.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -73.3 | -49.5 | 177.9 | -163.9 | -8 | 0 | 0 | 0 | 111.5 | I105 F108 F113 I115 L124 M125 L128 L142 W146 A151 Q152 L153 S157 Q158 I159 | I105-W155 HydrophobicContact CG2-CH2 4.48Å; I105-W155 HydrophobicContact CG2-CZ3 4.41Å; F108-W155 HydrophobicContact CD2-CH2 4.32Å; F108-W155 AromaticContact CD2-CZ3 4Å; F108-W155 HydrophobicContact CD2-CZ3 4Å; F113-W155 HydrophobicContact CE1-CB 4.48Å; F113-W155 HydrophobicContact CE1-CD2 4.3Å; F113-W155 AromaticContact CE1-CE3 3.7Å; F113-W155 HydrophobicContact CE1-CE3 3.7Å; F113-W155 HydrophobicContact CE1-CZ3 4.33Å; F113-W155 HydrophobicContact CZ-CD2 4.31Å; F113-W155 AromaticContact CZ-CE3 3.85Å; F113-W155 HydrophobicContact CZ-CE3 3.85Å; F113-W155 HydrophobicContact CZ-CZ3 4.21Å; I115-W155 HydrophobicContact CD1-CB 3.71Å; I115-W155 HydrophobicContact CD1-CD2 3.89Å; I115-W155 HydrophobicContact CD1-CG 3.37Å; I115-W155 HydrophobicContact CG1-CB 4.28Å; I115-W155 HydrophobicContact CG1-CG 4.41Å; L124-W155 HydrophobicContact CD2-CD2 4.05Å; L124-W155 HydrophobicContact CD2-CE3 4.42Å; L124-W155 HydrophobicContact CD2-CH2 4.03Å; L124-W155 HydrophobicContact CD2-CZ2 3.59Å; L124-W155 HydrophobicContact CD2-CZ3 4.41Å; L124-W155 HydrophobicContact CG-CZ2 4.35Å; M125-W155 HydrophobicContact SD-CZ2 4.26Å; L128-W155 HydrophobicContact CD1-CH2 3.62Å; L128-W155 HydrophobicContact CD1-CZ2 3.55Å; L142-W155 HydrophobicContact CD1-CD2 4.19Å; L142-W155 HydrophobicContact CD1-CG 4.35Å; L142-W155 HydrophobicContact CD2-CD2 3.98Å; L142-W155 HydrophobicContact CD2-CE3 3.59Å; L142-W155 HydrophobicContact CD2-CZ3 3.96Å; W146-W155 HydrophobicContact CH2-CE3 4.04Å; W146-W155 HydrophobicContact CH2-CZ3 4.05Å; A151-W155 PolarHBondContact O-N 2.78Å; Q152-W155 PolarHBondContact O-N 2.85Å; L153-W155 PolarHBondContact O-N 3.46Å; W155-S157 VanDerWaalsContact C-N 3.34Å; W155-S157 PolarHBondContact O-N 3.28Å; W155-Q158 PolarHBondContact O-N 3.13Å; W155-I159 HydrophobicContact CG-CD1 4.47Å; W155-I159 WeakPolarHBondContact O-CG1 3.39Å; W155-I159 PolarHBondContact O-N 2.68Å |
| 156 | I | 95.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.8 | -46.1 | 179.1 | -65.1 | 172.6 | 0 | 0 | 0 | 110.8 | L142 Q152 L153 Q158 I159 L160 F168 L201 I204 L205 I208 | L142-I156 HydrophobicContact CB-CG1 4.38Å; Q152-I156 HydrophobicContact CG-CD1 3.86Å; Q152-I156 WeakPolarHBondContact O-CG1 3.46Å; Q152-I156 PolarHBondContact O-N 3.15Å; L153-I156 PolarHBondContact O-N 3.33Å; I156-Q158 PolarHBondContact O-N 2.84Å; I156-I159 WeakPolarHBondContact O-CB 3.17Å; I156-I159 PolarHBondContact O-N 3.09Å; I156-L160 HydrophobicContact CG2-CD1 4.07Å; I156-L160 HydrophobicContact CG2-CG 4.44Å; I156-L160 WeakPolarHBondContact O-CG 2.96Å; I156-L160 PolarHBondContact O-N 3.28Å; I156-F168 HydrophobicContact CB-CZ 4.48Å; I156-F168 HydrophobicContact CG1-CZ 4.27Å; I156-F168 HydrophobicContact CG2-CE2 4.13Å; I156-F168 HydrophobicContact CG2-CZ 4.14Å; I156-L201 HydrophobicContact CG2-CD1 3.98Å; I156-I204 HydrophobicContact CD1-CG2 4.39Å; I156-L205 HydrophobicContact CG2-CD2 4.03Å; I156-I208 HydrophobicContact CD1-CD1 4.33Å |
| 157 | S | 93.6 | Very high | 90.7 | Very high | 22 Ų | 22 | 38 Ų | 38 | 15% | 0.154 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | -179.5 | -173 | 0 | 0 | 0 | 0 | 112 | L153 W155 I159 L160 Q161 | L153-S157 WeakPolarHBondContact O-CB 3.19Å; L153-S157 PolarHBondContact O-N 3.09Å; W155-S157 VanDerWaalsContact C-N 3.34Å; W155-S157 PolarHBondContact O-N 3.28Å; S157-I159 PolarHBondContact O-N 3.2Å; S157-L160 PolarHBondContact O-N 3.23Å; S157-Q161 WeakPolarHBondContact O-CG 3.27Å; S157-Q161 PolarHBondContact O-N 3.41Å |
| 158 | Q | 93.7 | Very high | 90.9 | Very high | 22 Ų | 22 | 29.6 Ų | 29.6 | 10% | 0.103 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.4 | -32.3 | 176.7 | -72.2 | -59.6 | -53.7 | 0 | 0 | 112.9 | I115 N117 L121 S154 W155 I156 Q161 N162 | I115-Q158 HydrophobicContact CB-CG 4.26Å; I115-Q158 HydrophobicContact CG2-CB 4.15Å; I115-Q158 HydrophobicContact CG2-CG 3.9Å; I115-Q158 WeakPolarHBondContact O-CG 3.46Å; N117-Q158 VanDerWaalsContact C-OE1 3.26Å; L121-Q158 HydrophobicContact CB-CB 4.42Å; L121-Q158 HydrophobicContact CD1-CB 4.5Å; L121-Q158 HydrophobicContact CD2-CB 4.2Å; L121-Q158 WeakPolarHBondContact CD2-O 3.36Å; S154-Q158 WeakPolarHBondContact O-CG 3.31Å; S154-Q158 PolarHBondContact O-N 3.25Å; W155-Q158 PolarHBondContact O-N 3.13Å; I156-Q158 PolarHBondContact O-N 2.84Å; Q158-Q161 VanDerWaalsContact NE2-OE1 3.13Å; Q158-N162 WeakPolarHBondContact O-CB 3.41Å; Q158-N162 PolarHBondContact O-N 3.36Å; Q158-N162 VanDerWaalsContact O-N 3.15Å; Q158-N162 PolarHBondContact O-ND2 3.46Å; Q158-N162 PolarHBondContact OE1-ND2 3.32Å |
| 159 | I | 93.7 | Very high | 90.6 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.1 | -46.7 | 172 | -67.8 | 171.4 | 0 | 0 | 0 | 110.2 | L121 L139 L142 W155 I156 S157 Q161 N162 V166 F168 | L121-I159 HydrophobicContact CD1-CG1 3.99Å; L139-I159 HydrophobicContact CD1-CD1 4.37Å; L139-I159 HydrophobicContact CD2-CD1 4.26Å; L142-I159 HydrophobicContact CD1-CD1 3.82Å; W155-I159 HydrophobicContact CG-CD1 4.47Å; W155-I159 WeakPolarHBondContact O-CG1 3.39Å; W155-I159 PolarHBondContact O-N 2.68Å; I156-I159 WeakPolarHBondContact O-CB 3.17Å; I156-I159 PolarHBondContact O-N 3.09Å; S157-I159 PolarHBondContact O-N 3.2Å; I159-Q161 VanDerWaalsContact C-N 3.27Å; I159-Q161 PolarHBondContact O-N 2.83Å; I159-N162 CarbonylContact O-C 3.58Å; I159-N162 PolarHBondContact O-N 2.92Å; I159-N162 VanDerWaalsContact O-N 3.16Å; I159-V166 HydrophobicContact CB-CG1 4.27Å; I159-V166 HydrophobicContact CD1-CG1 4.03Å; I159-V166 HydrophobicContact CG1-CG1 3.71Å; I159-V166 HydrophobicContact CG2-CG1 3.72Å; I159-F168 HydrophobicContact CB-CE2 3.92Å; I159-F168 HydrophobicContact CB-CZ 4.14Å; I159-F168 HydrophobicContact CD1-CE1 4.19Å; I159-F168 HydrophobicContact CD1-CE2 4.43Å; I159-F168 HydrophobicContact CD1-CZ 3.79Å; I159-F168 HydrophobicContact CG2-CD2 3.72Å; I159-F168 HydrophobicContact CG2-CE1 4.49Å; I159-F168 HydrophobicContact CG2-CE2 3.43Å; I159-F168 VanDerWaalsContact CG2-CE2 3.43Å; I159-F168 HydrophobicContact CG2-CG 4.37Å; I159-F168 HydrophobicContact CG2-CZ 3.86Å |
| 160 | L | 93.5 | Very high | 90.2 | Very high | 31 Ų | 31 | 31.6 Ų | 31.6 | 16% | 0.162 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.3 | -31.9 | 179.7 | -67.2 | 173.7 | 0 | 0 | 0 | 113.1 | I156 S157 F168 T195 W196 L201 L205 C221 | I156-L160 HydrophobicContact CG2-CD1 4.07Å; I156-L160 HydrophobicContact CG2-CG 4.44Å; I156-L160 WeakPolarHBondContact O-CG 2.96Å; I156-L160 PolarHBondContact O-N 3.28Å; S157-L160 PolarHBondContact O-N 3.23Å; L160-F168 HydrophobicContact CD2-CD2 4.11Å; L160-F168 HydrophobicContact CD2-CE2 4.14Å; L160-F168 HydrophobicContact CG-CE2 4.33Å; L160-T195 HydrophobicContact CD2-CG2 4.15Å; L160-W196 HydrophobicContact CD1-CH2 4.15Å; L160-W196 HydrophobicContact CD1-CZ2 4.15Å; L160-W196 HydrophobicContact CD2-CZ2 4.2Å; L160-L201 HydrophobicContact CD2-CD2 4.02Å; L160-L205 HydrophobicContact CD1-CD1 4.28Å; L160-C221 HydrophobicContact CD1-CB 3.98Å |
| 161 | Q | 89.3 | Confident | 89.7 | Confident | 121 Ų | 121 | 28 Ų | 28 | 57% | 0.565 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -81.3 | -18.5 | 177.2 | -69.9 | 174.8 | 11.7 | 0 | 0 | 113.8 | S157 Q158 I159 | S157-Q161 WeakPolarHBondContact O-CG 3.27Å; S157-Q161 PolarHBondContact O-N 3.41Å; Q158-Q161 VanDerWaalsContact NE2-OE1 3.13Å; I159-Q161 VanDerWaalsContact C-N 3.27Å; I159-Q161 PolarHBondContact O-N 2.83Å |
| 162 | N | 91.5 | Very high | 88.9 | Confident | 20 Ų | 20 | 33.7 Ų | 33.7 | 11% | 0.107 | 19% | 0.187 | C | C | . | . | trans | -135 | 59.7 | -173.6 | -53.6 | -87.6 | 0 | 0 | 0 | 111.8 | R118 L121 Q158 I159 D164 V165 V166 | R118-N162 WeakPolarHBondContact CB-OD1 3.43Å; R118-N162 WeakPolarHBondContact CD-OD1 3.47Å; R118-N162 HydrophobicContact CG-CB 4.35Å; R118-N162 VanDerWaalsContact CG-OD1 3.26Å; R118-N162 WeakPolarHBondContact CG-OD1 3.27Å; L121-N162 HydrophobicContact CD2-CB 4.07Å; Q158-N162 WeakPolarHBondContact O-CB 3.41Å; Q158-N162 PolarHBondContact O-N 3.36Å; Q158-N162 VanDerWaalsContact O-N 3.15Å; Q158-N162 PolarHBondContact O-ND2 3.46Å; Q158-N162 PolarHBondContact OE1-ND2 3.32Å; I159-N162 CarbonylContact O-C 3.58Å; I159-N162 PolarHBondContact O-N 2.92Å; I159-N162 VanDerWaalsContact O-N 3.16Å; N162-D164 VanDerWaalsContact C-OD1 3.25Å; N162-D164 WeakPolarHBondContact CA-OD1 3.32Å; N162-D164 PolarHBondContact O-N 3.16Å; N162-D164 VanDerWaalsContact O-N 3.15Å; N162-V165 HydrophobicContact CB-CB 4.45Å; N162-V165 HydrophobicContact CB-CG2 4.1Å; N162-V165 WeakPolarHBondContact O-CB 3.42Å; N162-V165 PolarHBondContact O-N 2.98Å; N162-V166 PolarHBondContact O-N 3.14Å | ||
| 163 | P | 85.4 | Confident | 88.4 | Confident | 17 Ų | 17 | 35.9 Ų | 35.9 | 11% | 0.11 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17 | -176.9 | 30.8 | -39.9 | 0 | 0 | 0 | 113.6 | V165 V166 K191 E192 | P163-V165 VanDerWaalsContact C-N 3.31Å; P163-V166 WeakPolarHBondContact CA-O 3.29Å; P163-V166 CarbonylContact O-C 3.51Å; P163-K191 HydrophobicContact CB-CB 4.4Å; P163-E192 HydrophobicContact CB-CG 4.38Å; P163-E192 HydrophobicContact CG-CG 3.61Å |
| 164 | D | 82.4 | Confident | 87.9 | Confident | 109 Ų | 109 | 38.8 Ų | 38.8 | 58% | 0.583 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -28.9 | 172.8 | 65.5 | -52.7 | 0 | 0 | 0 | 112.5 | R118 N162 | R118-D164 IonicContact CZ-OD2 3.8Å; R118-D164 IonicContact NE-OD2 3.72Å; R118-D164 IonicContact NH2-OD2 3.68Å; R118-D164 PolarHBondContact NH2-OD2 3.41Å; N162-D164 VanDerWaalsContact C-OD1 3.25Å; N162-D164 WeakPolarHBondContact CA-OD1 3.32Å; N162-D164 PolarHBondContact O-N 3.16Å; N162-D164 VanDerWaalsContact O-N 3.15Å |
| 165 | V | 83.9 | Confident | 87.7 | Confident | 39 Ų | 39 | 41.1 Ų | 41.1 | 24% | 0.236 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -48.7 | 176.8 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | R118 L121 M125 N162 P163 | R118-V165 HydrophobicContact CG-CG2 4.28Å; L121-V165 HydrophobicContact CD2-CB 4.33Å; L121-V165 HydrophobicContact CD2-CG1 4.27Å; L121-V165 HydrophobicContact CG-CG1 4.34Å; M125-V165 HydrophobicContact CG-CG1 4.39Å; N162-V165 HydrophobicContact CB-CB 4.45Å; N162-V165 HydrophobicContact CB-CG2 4.1Å; N162-V165 WeakPolarHBondContact O-CB 3.42Å; N162-V165 PolarHBondContact O-N 2.98Å; P163-V165 VanDerWaalsContact C-N 3.31Å |
| 166 | V | 86.9 | Confident | 87.4 | Confident | 15 Ų | 15 | 41.5 Ų | 41.5 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | trans | -157.2 | 143.6 | 170.6 | 91.8 | 0 | 0 | 0 | 0 | 109 | M125 L139 I159 N162 P163 Y171 | M125-V166 HydrophobicContact CE-CB 3.84Å; M125-V166 HydrophobicContact CE-CG1 3.91Å; M125-V166 HydrophobicContact CE-CG2 3.65Å; L139-V166 HydrophobicContact CD1-CG1 4.02Å; L139-V166 HydrophobicContact CD1-CG2 4.1Å; I159-V166 HydrophobicContact CB-CG1 4.27Å; I159-V166 HydrophobicContact CD1-CG1 4.03Å; I159-V166 HydrophobicContact CG1-CG1 3.71Å; I159-V166 HydrophobicContact CG2-CG1 3.72Å; N162-V166 PolarHBondContact O-N 3.14Å; P163-V166 WeakPolarHBondContact CA-O 3.29Å; P163-V166 CarbonylContact O-C 3.51Å; V166-Y171 HydrophobicContact CG2-CE2 4.07Å | ||
| 167 | S | 87.4 | Confident | 86.7 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | trans | -125.9 | 140.9 | 177.3 | 178 | 0 | 0 | 0 | 0 | 110.9 | S169 D170 Y171 | S167-S169 WeakPolarHBondContact CB-OG 3.34Å; S167-S169 PolarHBondContact O-N 2.89Å; S167-S169 WeakPolarHBondContact OG-CB 3.48Å; S167-S169 PolarHBondContact OG-N 3.3Å; S167-S169 VanDerWaalsContact OG-N 3.11Å; S167-S169 PolarHBondContact OG-OG 3.04Å; S167-D170 PolarHBondContact O-N 3.2Å; S167-Y171 VanDerWaalsContact O-CD2 3.27Å; S167-Y171 WeakPolarHBondContact O-CD2 3.39Å; S167-Y171 WeakPolarHBondContact O-CE2 3.28Å | ||
| 168 | F | 90.6 | Very high | 85.9 | Confident | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -67.2 | -17.4 | 170.7 | -56.5 | -79 | 0 | 0 | 0 | 112.7 | L139 L142 F143 I156 I159 L160 D170 Y171 T195 L201 | L139-F168 HydrophobicContact CB-CD1 4.33Å; L139-F168 HydrophobicContact CB-CE1 4.31Å; L139-F168 HydrophobicContact CD1-CD1 4.14Å; L139-F168 HydrophobicContact CD1-CE1 4.27Å; L142-F168 HydrophobicContact CD1-CE1 4.21Å; L142-F168 HydrophobicContact CD1-CZ 4.43Å; F143-F168 AromaticContact CE1-CD1 3.81Å; F143-F168 HydrophobicContact CE1-CD1 3.81Å; F143-F168 AromaticContact CE1-CE1 3.83Å; F143-F168 HydrophobicContact CE1-CE1 3.83Å; F143-F168 AromaticContact CZ-CD1 3.68Å; F143-F168 HydrophobicContact CZ-CD1 3.68Å; F143-F168 HydrophobicContact CZ-CE1 4.13Å; F143-F168 HydrophobicContact CZ-CG 4.37Å; I156-F168 HydrophobicContact CB-CZ 4.48Å; I156-F168 HydrophobicContact CG1-CZ 4.27Å; I156-F168 HydrophobicContact CG2-CE2 4.13Å; I156-F168 HydrophobicContact CG2-CZ 4.14Å; I159-F168 HydrophobicContact CB-CE2 3.92Å; I159-F168 HydrophobicContact CB-CZ 4.14Å; I159-F168 HydrophobicContact CD1-CE1 4.19Å; I159-F168 HydrophobicContact CD1-CE2 4.43Å; I159-F168 HydrophobicContact CD1-CZ 3.79Å; I159-F168 HydrophobicContact CG2-CD2 3.72Å; I159-F168 HydrophobicContact CG2-CE1 4.49Å; I159-F168 HydrophobicContact CG2-CE2 3.43Å; I159-F168 VanDerWaalsContact CG2-CE2 3.43Å; I159-F168 HydrophobicContact CG2-CG 4.37Å; I159-F168 HydrophobicContact CG2-CZ 3.86Å; L160-F168 HydrophobicContact CD2-CD2 4.11Å; L160-F168 HydrophobicContact CD2-CE2 4.14Å; L160-F168 HydrophobicContact CG-CE2 4.33Å; F168-D170 PolarHBondContact O-N 3.1Å; F168-Y171 PolarHBondContact O-N 3.26Å; F168-T195 HydrophobicContact CB-CG2 3.49Å; F168-T195 VanDerWaalsContact CB-CG2 3.49Å; F168-T195 HydrophobicContact CD2-CG2 3.7Å; F168-T195 HydrophobicContact CG-CG2 4.07Å; F168-L201 HydrophobicContact CD2-CD1 4.17Å; F168-L201 HydrophobicContact CD2-CD2 4.06Å; F168-L201 HydrophobicContact CE2-CD1 3.95Å; F168-L201 HydrophobicContact CZ-CD1 4.38Å |
| 169 | S | 85.1 | Confident | 84.6 | Confident | 25 Ų | 25 | 54 Ų | 54 | 18% | 0.175 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -62.8 | -25.2 | 175.1 | 64.3 | 0 | 0 | 0 | 0 | 113 | S167 Y171 | S167-S169 WeakPolarHBondContact CB-OG 3.34Å; S167-S169 PolarHBondContact O-N 2.89Å; S167-S169 WeakPolarHBondContact OG-CB 3.48Å; S167-S169 PolarHBondContact OG-N 3.3Å; S167-S169 VanDerWaalsContact OG-N 3.11Å; S167-S169 PolarHBondContact OG-OG 3.04Å; S169-Y171 PolarHBondContact O-N 3.36Å |
| 170 | D | 82.7 | Confident | 83.4 | Confident | 90 Ų | 90 | 58 Ų | 58 | 48% | 0.481 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -83.9 | -2.3 | -176.6 | -56.1 | -22 | 0 | 0 | 0 | 111.7 | S167 F168 K191 | S167-D170 PolarHBondContact O-N 3.2Å; F168-D170 PolarHBondContact O-N 3.1Å; D170-K191 VanDerWaalsContact CG-NZ 3.29Å; D170-K191 WeakPolarHBondContact OD1-CE 3.46Å; D170-K191 IonicContact OD1-NZ 3.59Å; D170-K191 PolarHBondContact OD1-NZ 3.27Å; D170-K191 IonicContact OD2-NZ 2.77Å; D170-K191 PolarHBondContact OD2-NZ 2.95Å |
| 171 | Y | 81.2 | Confident | 82.5 | Confident | 41 Ų | 41 | 57.7 Ų | 57.7 | 16% | 0.161 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -115.1 | 149.4 | -179.5 | -65.3 | -89.7 | 0 | 0 | 0 | 111 | P136 I137 L139 V166 S167 F168 S169 F173 | P136-Y171 HydrophobicContact CB-CE1 4.04Å; I137-Y171 WeakPolarHBondContact O-CE1 3.44Å; I137-Y171 PolarHBondContact O-OH 3.41Å; L139-Y171 HydrophobicContact CB-CD2 4.41Å; L139-Y171 HydrophobicContact CB-CE2 4.44Å; L139-Y171 HydrophobicContact CB-CG 4.43Å; L139-Y171 HydrophobicContact CD1-CD2 3.72Å; L139-Y171 HydrophobicContact CD1-CE2 3.29Å; L139-Y171 HydrophobicContact CG-CD2 4.29Å; L139-Y171 HydrophobicContact CG-CE1 4.28Å; L139-Y171 HydrophobicContact CG-CE2 3.86Å; V166-Y171 HydrophobicContact CG2-CE2 4.07Å; S167-Y171 VanDerWaalsContact O-CD2 3.27Å; S167-Y171 WeakPolarHBondContact O-CD2 3.39Å; S167-Y171 WeakPolarHBondContact O-CE2 3.28Å; F168-Y171 PolarHBondContact O-N 3.26Å; S169-Y171 PolarHBondContact O-N 3.36Å; Y171-F173 WeakPolarHBondContact O-CD1 3.27Å; Y171-F173 WeakPolarHBondContact O-CE1 3.36Å; Y171-F173 PolarHBondContact O-N 2.92Å |
| 172 | P | 73.5 | Confident | 81.9 | Confident | 122 Ų | 122 | 58.4 Ų | 58.4 | 79% | 0.792 | 34% | 0.336 | S | S | * | . | trans | -66.6 | 131.6 | 177.9 | 23.6 | -30.8 | 0 | 0 | 0 | 112 | ||||
| 173 | F | 83.1 | Confident | 81.5 | Confident | 49 Ų | 49 | 58.6 Ų | 58.6 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | trans | -141.4 | 169.8 | 177.8 | 53.4 | -101.2 | 0 | 0 | 0 | 110.7 | Y171 P175 Q197 S198 | Y171-F173 WeakPolarHBondContact O-CD1 3.27Å; Y171-F173 WeakPolarHBondContact O-CE1 3.36Å; Y171-F173 PolarHBondContact O-N 2.92Å; F173-P175 HydrophobicContact CE2-CB 4.2Å; F173-P175 WeakPolarHBondContact O-CD 3.14Å; F173-Q197 HydrophobicContact CD2-CB 4.44Å; F173-Q197 HydrophobicContact CE2-CB 3.5Å; F173-Q197 VanDerWaalsContact CE2-CB 3.5Å; F173-Q197 HydrophobicContact CZ-CB 3.88Å; F173-S198 WeakPolarHBondContact CB-OG 3.38Å; F173-S198 VanDerWaalsContact CD2-CA 3.49Å | ||
| 174 | T | 86 | Confident | 81.3 | Confident | 68 Ų | 68 | 58.9 Ų | 58.9 | 42% | 0.417 | 34% | 0.338 | S | S | . | . | trans | -83.8 | 114.9 | 170.3 | -58.2 | 0 | 0 | 0 | 0 | 109.4 | L199 E200 | T174-L199 WeakPolarHBondContact O-CB 3.16Å; T174-L199 PolarHBondContact O-N 3.27Å; T174-E200 WeakPolarHBondContact CB-OE1 3.3Å; T174-E200 PolarHBondContact N-OE1 3.26Å; T174-E200 PolarHBondContact N-OE2 3.06Å; T174-E200 PolarHBondContact OG1-OE1 3.3Å | ||
| 175 | P | 87.7 | Confident | 80.8 | Confident | 67 Ų | 67 | 57.6 Ų | 57.6 | 44% | 0.435 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -73.9 | 137.9 | -176.7 | 29 | -34.3 | 0 | 0 | 0 | 112 | F173 N177 Q197 | F173-P175 HydrophobicContact CE2-CB 4.2Å; F173-P175 WeakPolarHBondContact O-CD 3.14Å; P175-N177 PolarHBondContact O-N 3.47Å; P175-Q197 CarbonylContact C-O 3.07Å; P175-Q197 VanDerWaalsContact CA-O 3.28Å; P175-Q197 WeakPolarHBondContact CA-O 3.49Å |
| 176 | V | 88.4 | Confident | 79.8 | Confident | 9 Ų | 9 | 60.2 Ų | 60.2 | 6% | 0.055 | 36% | 0.356 | C | S | . | . | trans | -68.2 | 119.2 | 167.3 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | L183 Q197 L199 I202 L232 A235 G236 M239 | V176-L183 HydrophobicContact CG1-CD1 4.11Å; V176-L183 VanDerWaalsContact O-CD1 3.27Å; V176-L183 WeakPolarHBondContact O-CD1 3.23Å; V176-Q197 PolarHBondContact N-O 3.36Å; V176-L199 HydrophobicContact CG2-CB 4.24Å; V176-L199 HydrophobicContact CG2-CD1 4.22Å; V176-I202 HydrophobicContact CG2-CD1 4.1Å; V176-L232 HydrophobicContact CB-CD1 3.86Å; V176-L232 HydrophobicContact CG1-CD1 4.07Å; V176-A235 HydrophobicContact CG1-CB 3.48Å; V176-A235 VanDerWaalsContact CG1-CB 3.48Å; V176-G236 VanDerWaalsContact CG1-N 3.34Å; V176-M239 HydrophobicContact CG1-SD 4.24Å | ||
| 177 | N | 80.7 | Confident | 78.5 | Confident | 108 Ų | 108 | 66.4 Ų | 66.4 | 58% | 0.578 | 39% | 0.388 | S | S | * | . | trans | -142.2 | 134.8 | -177.6 | -168.7 | -8.4 | 0 | 0 | 0 | 112.1 | P175 | P175-N177 PolarHBondContact O-N 3.47Š| ||
| 178 | V | 77.3 | Confident | 77.7 | Confident | 10 Ų | 10 | 67.6 Ų | 67.6 | 6% | 0.061 | 40% | 0.396 | C | S | . | . | trans | -130 | 118.2 | 175.7 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | G180 V181 A235 I269 | V178-G180 PolarHBondContact O-N 3.07Å; V178-V181 HydrophobicContact CB-CB 4.42Å; V178-V181 HydrophobicContact CG1-CG2 4.14Å; V178-V181 PolarHBondContact O-N 2.83Å; V178-V181 VanDerWaalsContact O-N 3.12Å; V178-A235 HydrophobicContact CG2-CB 3.77Å; V178-I269 HydrophobicContact CB-CG1 4.36Å; V178-I269 HydrophobicContact CG1-CG1 4.05Å; V178-I269 HydrophobicContact CG2-CG1 4.18Å | ||
| 179 | E | 67.2 | Low | 77 | Confident | 188 Ų | 188 | 73.5 Ų | 73.5 | 88% | 0.879 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 125 | -179.4 | -120.2 | 171.5 | 177 | 0 | 0 | 111.5 | ||
| 180 | G | 68.1 | Low | 76.8 | Confident | 86 Ų | 86 | 74.2 Ų | 74.2 | 89% | 0.887 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 7.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | V178 | V178-G180 PolarHBondContact O-N 3.07Š|
| 181 | V | 74.1 | Confident | 76.9 | Confident | 26 Ų | 26 | 74.3 Ų | 74.3 | 16% | 0.158 | 43% | 0.434 | C | S | . | . | trans | -123.8 | 123.8 | 177.8 | -173.6 | 0 | 0 | 0 | 0 | 110.3 | V178 L183 V231 P266 P268 I269 | V178-V181 HydrophobicContact CB-CB 4.42Å; V178-V181 HydrophobicContact CG1-CG2 4.14Å; V178-V181 PolarHBondContact O-N 2.83Å; V178-V181 VanDerWaalsContact O-N 3.12Å; V181-L183 HydrophobicContact CB-CD2 4.44Å; V181-L183 HydrophobicContact CG1-CD2 3.94Å; V181-L183 PolarHBondContact O-N 3.4Å; V181-V231 HydrophobicContact CG1-CG1 4.43Å; V181-P266 HydrophobicContact CG1-CB 4.06Å; V181-P268 HydrophobicContact CG2-CB 3.66Å; V181-P268 HydrophobicContact CG2-CG 3.6Å; V181-I269 HydrophobicContact CG1-CD1 4.35Å; V181-I269 HydrophobicContact CG2-CG1 4.46Å | ||
| 182 | Q | 76.3 | Confident | 77.1 | Confident | 135 Ų | 135 | 76.2 Ų | 76.2 | 63% | 0.631 | 44% | 0.444 | S | S | * | . | trans | -82 | 105.1 | 172.9 | -170.2 | 165.8 | 20.1 | 0 | 0 | 109.2 | L184 S186 | Q182-L184 WeakPolarHBondContact CG-O 3.41Å; Q182-S186 PolarHBondContact NE2-OG 3.47Å | ||
| 183 | L | 83.1 | Confident | 77.7 | Confident | 25 Ų | 25 | 71.9 Ų | 71.9 | 13% | 0.131 | 41% | 0.413 | C | S | . | . | trans | -82.4 | -20.2 | -172 | -61.4 | 172.7 | 0 | 0 | 0 | 113.7 | V176 V181 V231 L232 A235 I269 | V176-L183 HydrophobicContact CG1-CD1 4.11Å; V176-L183 VanDerWaalsContact O-CD1 3.27Å; V176-L183 WeakPolarHBondContact O-CD1 3.23Å; V181-L183 HydrophobicContact CB-CD2 4.44Å; V181-L183 HydrophobicContact CG1-CD2 3.94Å; V181-L183 PolarHBondContact O-N 3.4Å; L183-V231 HydrophobicContact CD2-CG1 3.84Å; L183-L232 HydrophobicContact CB-CB 4.31Å; L183-L232 HydrophobicContact CB-CD1 3.9Å; L183-L232 HydrophobicContact CD1-CD1 3.97Å; L183-A235 HydrophobicContact CD1-CB 4.34Å; L183-A235 HydrophobicContact CD2-CB 4.04Å; L183-I269 HydrophobicContact CD2-CD1 3.97Å | ||
| 184 | L | 81.6 | Confident | 78 | Confident | 22 Ų | 22 | 71.7 Ų | 71.7 | 12% | 0.115 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -137.6 | 150.8 | 177.6 | -77.2 | 160.5 | 0 | 0 | 0 | 109.3 | Q182 M193 L194 Q197 C229 L232 | Q182-L184 WeakPolarHBondContact CG-O 3.41Å; L184-M193 HydrophobicContact CD2-CB 4.13Å; L184-M193 HydrophobicContact CD2-CE 3.55Å; L184-L194 HydrophobicContact CD1-CD2 4.49Å; L184-Q197 HydrophobicContact CD1-CG 3.62Å; L184-C229 HydrophobicContact CD2-CB 4.15Å; L184-L232 HydrophobicContact CD1-CD2 3.88Å; L184-L232 HydrophobicContact CD2-CD2 4.19Å; L184-L232 HydrophobicContact CG-CD2 4.04Å |
| 185 | P | 71.8 | Confident | 78.2 | Confident | 83 Ų | 83 | 68.7 Ų | 68.7 | 54% | 0.539 | 40% | 0.396 | S | S | . | . | trans | -56.1 | 141.9 | 172.2 | -21 | 31.8 | 0 | 0 | 0 | 111.3 | D187 C188 | P185-D187 PolarHBondContact O-N 3.17Å; P185-D187 VanDerWaalsContact O-N 3.09Å; P185-C188 VanDerWaalsContact O-CB 3.25Å; P185-C188 WeakPolarHBondContact O-CB 3.29Å; P185-C188 PolarHBondContact O-N 2.8Å; P185-C188 VanDerWaalsContact O-N 3.11Å | ||
| 186 | S | 63.7 | Low | 78.5 | Confident | 94 Ų | 94 | 65.8 Ų | 65.8 | 66% | 0.657 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -35.2 | -178.7 | -36.3 | 0 | 0 | 0 | 0 | 113.2 | Q182 | Q182-S186 PolarHBondContact NE2-OG 3.47Š|
| 187 | D | 59.1 | Low | 78.7 | Confident | 144 Ų | 144 | 67.9 Ų | 67.9 | 77% | 0.77 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 19.3 | -171.7 | -47.1 | -29.2 | 0 | 0 | 0 | 112.2 | P185 T189 | P185-D187 PolarHBondContact O-N 3.17Å; P185-D187 VanDerWaalsContact O-N 3.09Å; D187-T189 PolarHBondContact O-N 3.44Å |
| 188 | C | 71 | Confident | 79.3 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 18% | 0.176 | 36% | 0.358 | C | S | . | . | trans | -70.9 | 102.6 | -176.2 | -170.6 | 0 | 0 | 0 | 0 | 111.6 | P185 | P185-C188 VanDerWaalsContact O-CB 3.25Å; P185-C188 WeakPolarHBondContact O-CB 3.29Å; P185-C188 PolarHBondContact O-N 2.8Å; P185-C188 VanDerWaalsContact O-N 3.11Å | ||
| 189 | T | 75 | Confident | 80.1 | Confident | 126 Ų | 126 | 63.6 Ų | 63.6 | 77% | 0.773 | 36% | 0.362 | S | S | * | . | trans | -100 | -5.8 | 174.7 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | D187 K191 | D187-T189 PolarHBondContact O-N 3.44Å; T189-K191 PolarHBondContact O-N 3.32Å; T189-K191 VanDerWaalsContact O-N 3.12Å | ||
| 190 | S | 82.2 | Confident | 81.3 | Confident | 39 Ų | 39 | 57.5 Ų | 57.5 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | trans | -67.1 | 111.1 | -179.3 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | E192 M193 L194 | S190-E192 PolarHBondContact O-N 3.46Å; S190-M193 PolarHBondContact O-N 2.98Å; S190-L194 WeakPolarHBondContact O-CG 3.29Å; S190-L194 PolarHBondContact O-N 3.44Å | ||
| 191 | K | 83.9 | Confident | 82.6 | Confident | 93 Ų | 93 | 53.4 Ų | 53.4 | 40% | 0.404 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55 | -34.1 | 175.8 | -73.4 | -165 | 175.3 | -165.2 | 0 | 112.3 | P163 D170 T189 M193 L194 T195 | P163-K191 HydrophobicContact CB-CB 4.4Å; D170-K191 VanDerWaalsContact CG-NZ 3.29Å; D170-K191 WeakPolarHBondContact OD1-CE 3.46Å; D170-K191 IonicContact OD1-NZ 3.59Å; D170-K191 PolarHBondContact OD1-NZ 3.27Å; D170-K191 IonicContact OD2-NZ 2.77Å; D170-K191 PolarHBondContact OD2-NZ 2.95Å; T189-K191 PolarHBondContact O-N 3.32Å; T189-K191 VanDerWaalsContact O-N 3.12Å; K191-M193 VanDerWaalsContact C-N 3.34Å; K191-M193 PolarHBondContact O-N 3.05Å; K191-L194 PolarHBondContact O-N 3.07Å; K191-T195 PolarHBondContact O-N 3.49Å; K191-T195 PolarHBondContact O-OG1 3.15Å |
| 192 | E | 84.8 | Confident | 83.6 | Confident | 81 Ų | 81 | 52.1 Ų | 52.1 | 38% | 0.379 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.6 | -35.8 | 176.9 | -66.1 | 169 | 177.5 | 0 | 0 | 113.2 | P163 S190 T195 W196 Y224 | P163-E192 HydrophobicContact CB-CG 4.38Å; P163-E192 HydrophobicContact CG-CG 3.61Å; S190-E192 PolarHBondContact O-N 3.46Å; E192-T195 PolarHBondContact O-OG1 3.1Å; E192-W196 PolarHBondContact O-NE1 3.48Å; E192-Y224 HydrophobicContact CB-CE1 3.81Å; E192-Y224 HydrophobicContact CB-CE2 4.25Å; E192-Y224 VanDerWaalsContact CB-CZ 3.5Å; E192-Y224 WeakPolarHBondContact CB-OH 3.38Å; E192-Y224 VanDerWaalsContact OE2-CE2 3.32Å; E192-Y224 WeakPolarHBondContact OE2-CE2 3.32Å; E192-Y224 VanDerWaalsContact OE2-CZ 3.25Å; E192-Y224 PolarHBondContact OE2-OH 3.04Å |
| 193 | M | 87.1 | Confident | 84.5 | Confident | 31 Ų | 31 | 47.7 Ų | 47.7 | 15% | 0.153 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -81.8 | -40.9 | 176 | -74.4 | 175.4 | 69.8 | 0 | 0 | 111.3 | L184 S190 K191 T195 W196 Y224 C229 | L184-M193 HydrophobicContact CD2-CB 4.13Å; L184-M193 HydrophobicContact CD2-CE 3.55Å; S190-M193 PolarHBondContact O-N 2.98Å; K191-M193 VanDerWaalsContact C-N 3.34Å; K191-M193 PolarHBondContact O-N 3.05Å; M193-T195 PolarHBondContact O-N 3.26Å; M193-W196 PolarHBondContact O-N 3.45Å; M193-Y224 HydrophobicContact CG-CE1 4.17Å; M193-C229 HydrophobicContact CE-CB 4.24Å |
| 194 | L | 89.1 | Confident | 85.1 | Confident | 45 Ų | 45 | 46.6 Ų | 46.6 | 24% | 0.236 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.7 | -29.9 | -179.6 | -68.2 | 171.8 | 0 | 0 | 0 | 112.7 | L184 S190 K191 W196 Q197 | L184-L194 HydrophobicContact CD1-CD2 4.49Å; S190-L194 WeakPolarHBondContact O-CG 3.29Å; S190-L194 PolarHBondContact O-N 3.44Å; K191-L194 PolarHBondContact O-N 3.07Å; L194-W196 PolarHBondContact O-N 3.36Å; L194-Q197 WeakPolarHBondContact O-CB 3.47Å; L194-Q197 PolarHBondContact O-N 2.84Å; L194-Q197 VanDerWaalsContact O-N 3.15Å |
| 195 | T | 90.7 | Very high | 85.7 | Confident | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -55 | -36.6 | 177.5 | -16.1 | 0 | 0 | 0 | 0 | 112.4 | L160 F168 K191 E192 M193 Q197 S198 L201 | L160-T195 HydrophobicContact CD2-CG2 4.15Å; F168-T195 HydrophobicContact CB-CG2 3.49Å; F168-T195 VanDerWaalsContact CB-CG2 3.49Å; F168-T195 HydrophobicContact CD2-CG2 3.7Å; F168-T195 HydrophobicContact CG-CG2 4.07Å; K191-T195 PolarHBondContact O-N 3.49Å; K191-T195 PolarHBondContact O-OG1 3.15Å; E192-T195 PolarHBondContact O-OG1 3.1Å; M193-T195 PolarHBondContact O-N 3.26Å; T195-Q197 VanDerWaalsContact C-N 3.26Å; T195-Q197 PolarHBondContact O-N 3.35Å; T195-S198 WeakPolarHBondContact O-CB 3.48Å; T195-S198 PolarHBondContact O-N 3.25Å; T195-L201 HydrophobicContact CG2-CD2 4.18Å |
| 196 | W | 93.9 | Very high | 86.8 | Confident | 5 Ų | 5 | 41.8 Ų | 41.8 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -80 | -1.2 | -175.4 | -64 | 100.9 | 0 | 0 | 0 | 114.1 | L160 E192 M193 L194 S198 L201 I202 L205 C221 F222 Y224 P225 L232 | L160-W196 HydrophobicContact CD1-CH2 4.15Å; L160-W196 HydrophobicContact CD1-CZ2 4.15Å; L160-W196 HydrophobicContact CD2-CZ2 4.2Å; E192-W196 PolarHBondContact O-NE1 3.48Å; M193-W196 PolarHBondContact O-N 3.45Å; L194-W196 PolarHBondContact O-N 3.36Å; W196-S198 PolarHBondContact O-N 3.17Å; W196-L201 HydrophobicContact CE3-CD2 4.43Å; W196-I202 HydrophobicContact CE3-CG1 4.23Å; W196-L205 HydrophobicContact CH2-CD1 3.76Å; W196-L205 HydrophobicContact CZ3-CD1 3.75Å; W196-C221 WeakPolarHBondContact CH2-O 3.49Å; W196-C221 VanDerWaalsContact CZ2-O 3.26Å; W196-C221 WeakPolarHBondContact CZ2-O 3.28Å; W196-F222 HydrophobicContact CE3-CE1 4.44Å; W196-F222 HydrophobicContact CH2-CD1 4.05Å; W196-F222 HydrophobicContact CH2-CE1 4.28Å; W196-F222 AromaticContact CZ3-CD1 3.72Å; W196-F222 HydrophobicContact CZ3-CD1 3.72Å; W196-F222 AromaticContact CZ3-CE1 3.6Å; W196-F222 HydrophobicContact CZ3-CE1 3.6Å; W196-F222 HydrophobicContact CZ3-CZ 4.47Å; W196-Y224 AromaticContact NE1-CD1 3.88Å; W196-P225 HydrophobicContact CD2-CB 3.66Å; W196-P225 HydrophobicContact CD2-CG 3.62Å; W196-P225 VanDerWaalsContact CE2-CD 3.5Å; W196-P225 VanDerWaalsContact CE2-CG 3.44Å; W196-P225 HydrophobicContact CE3-CB 4.14Å; W196-P225 HydrophobicContact CE3-CG 3.83Å; W196-P225 HydrophobicContact CG-CB 3.8Å; W196-P225 HydrophobicContact CG-CG 4.28Å; W196-P225 HydrophobicContact CH2-CG 3.72Å; W196-P225 HydrophobicContact CZ2-CB 4.37Å; W196-P225 VanDerWaalsContact CZ2-CD 3.44Å; W196-P225 HydrophobicContact CZ2-CG 3.51Å; W196-P225 HydrophobicContact CZ3-CG 3.88Å; W196-L232 HydrophobicContact CB-CD2 4Å |
| 197 | Q | 92.2 | Very high | 88.1 | Confident | 54 Ų | 54 | 39.1 Ų | 39.1 | 25% | 0.252 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -69.1 | -19.8 | 167 | -67.8 | -172.6 | 9.3 | 0 | 0 | 112.1 | F173 P175 V176 L184 L194 T195 L199 L232 | F173-Q197 HydrophobicContact CD2-CB 4.44Å; F173-Q197 HydrophobicContact CE2-CB 3.5Å; F173-Q197 VanDerWaalsContact CE2-CB 3.5Å; F173-Q197 HydrophobicContact CZ-CB 3.88Å; P175-Q197 CarbonylContact C-O 3.07Å; P175-Q197 VanDerWaalsContact CA-O 3.28Å; P175-Q197 WeakPolarHBondContact CA-O 3.49Å; V176-Q197 PolarHBondContact N-O 3.36Å; L184-Q197 HydrophobicContact CD1-CG 3.62Å; L194-Q197 WeakPolarHBondContact O-CB 3.47Å; L194-Q197 PolarHBondContact O-N 2.84Å; L194-Q197 VanDerWaalsContact O-N 3.15Å; T195-Q197 VanDerWaalsContact C-N 3.26Å; T195-Q197 PolarHBondContact O-N 3.35Å; Q197-L199 PolarHBondContact O-N 3.49Å; Q197-L232 HydrophobicContact CG-CD1 4.35Å; Q197-L232 HydrophobicContact CG-CD2 4.11Å |
| 198 | S | 92.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -70.1 | 109.1 | 179.5 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | F173 T195 W196 E200 L201 I202 | F173-S198 WeakPolarHBondContact CB-OG 3.38Å; F173-S198 VanDerWaalsContact CD2-CA 3.49Å; T195-S198 WeakPolarHBondContact O-CB 3.48Å; T195-S198 PolarHBondContact O-N 3.25Å; W196-S198 PolarHBondContact O-N 3.17Å; S198-E200 VanDerWaalsContact C-N 3.26Å; S198-E200 PolarHBondContact O-N 2.57Å; S198-L201 PolarHBondContact O-N 3.14Å; S198-L201 WeakPolarHBondContact OG-CB 3.28Å; S198-L201 PolarHBondContact OG-N 3.42Å; S198-L201 VanDerWaalsContact OG-N 3.15Å; S198-I202 WeakPolarHBondContact O-CG1 3.43Å; S198-I202 PolarHBondContact O-N 3.02Å |
| 199 | L | 94.3 | Very high | 90.7 | Very high | 27 Ų | 27 | 31.6 Ų | 31.6 | 14% | 0.141 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.9 | -33.7 | 174.6 | -175.5 | 63.1 | 0 | 0 | 0 | 111.5 | T174 V176 Q197 I202 T203 M239 I240 | T174-L199 WeakPolarHBondContact O-CB 3.16Å; T174-L199 PolarHBondContact O-N 3.27Å; V176-L199 HydrophobicContact CG2-CB 4.24Å; V176-L199 HydrophobicContact CG2-CD1 4.22Å; Q197-L199 PolarHBondContact O-N 3.49Å; L199-I202 PolarHBondContact O-N 3.33Å; L199-T203 WeakPolarHBondContact O-CB 3.34Å; L199-T203 PolarHBondContact O-N 3.39Å; L199-T203 PolarHBondContact O-OG1 3Å; L199-M239 HydrophobicContact CD1-CB 4.14Å; L199-I240 HydrophobicContact CD1-CG1 4.08Å |
| 200 | E | 93.3 | Very high | 91.3 | Very high | 60 Ų | 60 | 30 Ų | 30 | 28% | 0.28 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 177.3 | -66.5 | 83 | 174.7 | 0 | 0 | 111.9 | F143 T174 S198 T203 I204 | F143-E200 HydrophobicContact CB-CB 4.19Å; F143-E200 HydrophobicContact CD1-CB 4.45Å; F143-E200 HydrophobicContact CD2-CB 3.74Å; F143-E200 HydrophobicContact CD2-CG 4.42Å; F143-E200 HydrophobicContact CE2-CB 4.21Å; F143-E200 HydrophobicContact CG-CB 3.89Å; T174-E200 WeakPolarHBondContact CB-OE1 3.3Å; T174-E200 PolarHBondContact N-OE1 3.26Å; T174-E200 PolarHBondContact N-OE2 3.06Å; T174-E200 PolarHBondContact OG1-OE1 3.3Å; S198-E200 VanDerWaalsContact C-N 3.26Å; S198-E200 PolarHBondContact O-N 2.57Å; E200-T203 PolarHBondContact O-N 2.93Å; E200-I204 WeakPolarHBondContact O-CG2 2.92Å; E200-I204 PolarHBondContact O-N 3.04Å |
| 201 | L | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.3 | -46.5 | 176 | 175.1 | 64.2 | 0 | 0 | 0 | 111.4 | F143 I156 L160 F168 T195 W196 S198 T203 I204 L205 | F143-L201 HydrophobicContact CE1-CB 4.11Å; F143-L201 HydrophobicContact CE1-CD1 4.33Å; I156-L201 HydrophobicContact CG2-CD1 3.98Å; L160-L201 HydrophobicContact CD2-CD2 4.02Å; F168-L201 HydrophobicContact CD2-CD1 4.17Å; F168-L201 HydrophobicContact CD2-CD2 4.06Å; F168-L201 HydrophobicContact CE2-CD1 3.95Å; F168-L201 HydrophobicContact CZ-CD1 4.38Å; T195-L201 HydrophobicContact CG2-CD2 4.18Å; W196-L201 HydrophobicContact CE3-CD2 4.43Å; S198-L201 PolarHBondContact O-N 3.14Å; S198-L201 WeakPolarHBondContact OG-CB 3.28Å; S198-L201 PolarHBondContact OG-N 3.42Å; S198-L201 VanDerWaalsContact OG-N 3.15Å; L201-T203 VanDerWaalsContact C-N 3.3Å; L201-T203 PolarHBondContact O-N 3.45Å; L201-I204 WeakPolarHBondContact O-CG2 3.48Å; L201-L205 HydrophobicContact CD1-CD1 3.96Å; L201-L205 HydrophobicContact CD1-CG 4.25Å; L201-L205 HydrophobicContact CG-CD1 4.15Å; L201-L205 WeakPolarHBondContact O-CB 3.19Å; L201-L205 WeakPolarHBondContact O-CG 3.35Å; L201-L205 PolarHBondContact O-N 3.37Å; L201-L205 VanDerWaalsContact O-N 3.1Å |
| 202 | I | 95.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | 177.7 | -56.9 | 171.6 | 0 | 0 | 0 | 109.7 | V176 W196 S198 L199 V206 F222 L233 L237 I240 | V176-I202 HydrophobicContact CG2-CD1 4.1Å; W196-I202 HydrophobicContact CE3-CG1 4.23Å; S198-I202 WeakPolarHBondContact O-CG1 3.43Å; S198-I202 PolarHBondContact O-N 3.02Å; L199-I202 PolarHBondContact O-N 3.33Å; I202-V206 HydrophobicContact CG2-CG2 4.48Å; I202-V206 WeakPolarHBondContact O-CB 3.23Å; I202-V206 VanDerWaalsContact O-CG2 3.28Å; I202-V206 WeakPolarHBondContact O-CG2 3.36Å; I202-V206 PolarHBondContact O-N 3.3Å; I202-F222 HydrophobicContact CG2-CE1 4.18Å; I202-F222 HydrophobicContact CG2-CZ 4.36Å; I202-L233 HydrophobicContact CD1-CD1 4.21Å; I202-L233 HydrophobicContact CG1-CD1 4.4Å; I202-L233 HydrophobicContact CG2-CD1 4.11Å; I202-L237 HydrophobicContact CG2-CD2 3.92Å; I202-L237 HydrophobicContact CG2-CG 4.4Å; I202-I240 HydrophobicContact CG2-CD1 3.82Å |
| 203 | T | 95.1 | Very high | 91.5 | Very high | 41 Ų | 41 | 31.4 Ų | 31.4 | 25% | 0.252 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.2 | -50.2 | -179.8 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | L199 E200 L201 L205 V206 D207 I240 | L199-T203 WeakPolarHBondContact O-CB 3.34Å; L199-T203 PolarHBondContact O-N 3.39Å; L199-T203 PolarHBondContact O-OG1 3Å; E200-T203 PolarHBondContact O-N 2.93Å; L201-T203 VanDerWaalsContact C-N 3.3Å; L201-T203 PolarHBondContact O-N 3.45Å; T203-L205 PolarHBondContact O-N 3.38Å; T203-V206 PolarHBondContact O-N 3.28Å; T203-D207 PolarHBondContact O-N 2.68Å; T203-I240 HydrophobicContact CG2-CG2 4.36Å |
| 204 | I | 94.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.5 | -35.1 | -177.5 | -165.1 | 59.3 | 0 | 0 | 0 | 112.3 | F143 R145 I156 E200 L201 D207 I208 | F143-I204 HydrophobicContact CD1-CG2 4.16Å; R145-I204 HydrophobicContact CG-CD1 3.81Å; I156-I204 HydrophobicContact CD1-CG2 4.39Å; E200-I204 WeakPolarHBondContact O-CG2 2.92Å; E200-I204 PolarHBondContact O-N 3.04Å; L201-I204 WeakPolarHBondContact O-CG2 3.48Å; I204-D207 HydrophobicContact CD1-CB 4.43Å; I204-D207 WeakPolarHBondContact O-CB 3.46Å; I204-D207 PolarHBondContact O-N 2.99Å; I204-I208 HydrophobicContact CG1-CD1 4.17Å; I204-I208 VanDerWaalsContact O-CG1 3.27Å; I204-I208 WeakPolarHBondContact O-CG1 3.29Å; I204-I208 PolarHBondContact O-N 3.5Å |
| 205 | L | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.3 | -43.1 | 174.1 | -75.7 | 172.9 | 0 | 0 | 0 | 111.2 | L153 I156 L160 W196 L201 T203 D207 I208 G209 V218 C221 F222 | L153-L205 HydrophobicContact CD1-CD2 4.01Å; I156-L205 HydrophobicContact CG2-CD2 4.03Å; L160-L205 HydrophobicContact CD1-CD1 4.28Å; W196-L205 HydrophobicContact CH2-CD1 3.76Å; W196-L205 HydrophobicContact CZ3-CD1 3.75Å; L201-L205 HydrophobicContact CD1-CD1 3.96Å; L201-L205 HydrophobicContact CD1-CG 4.25Å; L201-L205 HydrophobicContact CG-CD1 4.15Å; L201-L205 WeakPolarHBondContact O-CB 3.19Å; L201-L205 WeakPolarHBondContact O-CG 3.35Å; L201-L205 PolarHBondContact O-N 3.37Å; L201-L205 VanDerWaalsContact O-N 3.1Å; T203-L205 PolarHBondContact O-N 3.38Å; L205-D207 VanDerWaalsContact C-N 3.31Å; L205-D207 PolarHBondContact O-N 2.99Å; L205-I208 PolarHBondContact O-N 2.75Å; L205-G209 PolarHBondContact O-N 3.38Å; L205-V218 HydrophobicContact CB-CG1 4.21Å; L205-V218 HydrophobicContact CD2-CG1 4.42Å; L205-V218 WeakPolarHBondContact O-CG1 3.43Å; L205-C221 HydrophobicContact CD2-CB 4.45Å; L205-F222 HydrophobicContact CB-CE2 3.66Å; L205-F222 HydrophobicContact CB-CZ 3.59Å; L205-F222 HydrophobicContact CD1-CE1 4.45Å; L205-F222 HydrophobicContact CD1-CE2 4.37Å; L205-F222 HydrophobicContact CD1-CZ 4.09Å |
| 206 | V | 94.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -44.3 | 174.4 | 168.8 | 0 | 0 | 0 | 0 | 110.9 | I202 T203 G209 E210 F222 L237 I240 R248 | I202-V206 HydrophobicContact CG2-CG2 4.48Å; I202-V206 WeakPolarHBondContact O-CB 3.23Å; I202-V206 VanDerWaalsContact O-CG2 3.28Å; I202-V206 WeakPolarHBondContact O-CG2 3.36Å; I202-V206 PolarHBondContact O-N 3.3Å; T203-V206 PolarHBondContact O-N 3.28Å; V206-G209 PolarHBondContact O-N 3.13Å; V206-E210 PolarHBondContact O-N 2.98Å; V206-F222 HydrophobicContact CG2-CZ 4.16Å; V206-L237 HydrophobicContact CG2-CD2 3.79Å; V206-I240 HydrophobicContact CB-CD1 4.43Å; V206-I240 HydrophobicContact CG2-CD1 4.02Å; V206-R248 HydrophobicContact CG1-CB 3.9Å; V206-R248 HydrophobicContact CG1-CG 4.35Å |
| 207 | D | 91.2 | Very high | 91.4 | Very high | 39 Ų | 39 | 36.7 Ų | 36.7 | 21% | 0.209 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 177.5 | -78.3 | -9.2 | 0 | 0 | 0 | 112.8 | R145 T203 I204 L205 G209 E210 | R145-D207 IonicContact CZ-OD1 3.88Å; R145-D207 IonicContact CZ-OD2 2.64Å; R145-D207 VanDerWaalsContact CZ-OD2 3.25Å; R145-D207 IonicContact NE-OD2 3.95Å; R145-D207 PolarHBondContact NE-OD2 2.91Å; R145-D207 IonicContact NH2-OD1 2.94Å; R145-D207 PolarHBondContact NH2-OD1 2.92Å; R145-D207 IonicContact NH2-OD2 3.26Å; R145-D207 PolarHBondContact NH2-OD2 3.08Å; T203-D207 PolarHBondContact O-N 2.68Å; I204-D207 HydrophobicContact CD1-CB 4.43Å; I204-D207 WeakPolarHBondContact O-CB 3.46Å; I204-D207 PolarHBondContact O-N 2.99Å; L205-D207 VanDerWaalsContact C-N 3.31Å; L205-D207 PolarHBondContact O-N 2.99Å; D207-G209 VanDerWaalsContact C-N 3.32Å; D207-E210 WeakPolarHBondContact O-CB 3.34Å; D207-E210 PolarHBondContact O-N 3.43Å |
| 208 | I | 93.3 | Very high | 91.5 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 5% | 0.046 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.5 | -37 | 176.8 | -66.5 | 167.2 | 0 | 0 | 0 | 110.5 | P149 Q152 L153 I156 I204 L205 E210 N211 L214 V218 | P149-I208 HydrophobicContact CB-CG2 4.22Å; Q152-I208 HydrophobicContact CG-CD1 4.18Å; L153-I208 HydrophobicContact CB-CG2 4.33Å; L153-I208 HydrophobicContact CD2-CG2 4.24Å; I156-I208 HydrophobicContact CD1-CD1 4.33Å; I204-I208 HydrophobicContact CG1-CD1 4.17Å; I204-I208 VanDerWaalsContact O-CG1 3.27Å; I204-I208 WeakPolarHBondContact O-CG1 3.29Å; I204-I208 PolarHBondContact O-N 3.5Å; L205-I208 PolarHBondContact O-N 2.75Å; I208-E210 PolarHBondContact O-N 2.97Å; I208-N211 WeakPolarHBondContact O-CB 3.49Å; I208-N211 PolarHBondContact O-N 3.49Å; I208-N211 VanDerWaalsContact O-N 3.08Å; I208-L214 HydrophobicContact CG2-CB 4.36Å; I208-L214 HydrophobicContact CG2-CD1 3.92Å; I208-V218 HydrophobicContact CB-CG2 4.15Å; I208-V218 HydrophobicContact CG2-CG2 3.66Å |
| 209 | G | 91.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.7 | -15.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L205 V206 D207 N211 F247 | L205-G209 PolarHBondContact O-N 3.38Å; V206-G209 PolarHBondContact O-N 3.13Å; D207-G209 VanDerWaalsContact C-N 3.32Å; G209-N211 PolarHBondContact O-N 3.18Å; G209-F247 WeakPolarHBondContact O-CD2 3.22Å; G209-F247 WeakPolarHBondContact O-CG 3.33Å |
| 210 | E | 87.5 | Confident | 91.2 | Very high | 93 Ų | 93 | 40.9 Ų | 40.9 | 44% | 0.435 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -23.2 | 169.4 | -62.7 | -171.4 | 170.9 | 0 | 0 | 112.3 | V206 D207 I208 S212 S245 | V206-E210 PolarHBondContact O-N 2.98Å; D207-E210 WeakPolarHBondContact O-CB 3.34Å; D207-E210 PolarHBondContact O-N 3.43Å; I208-E210 PolarHBondContact O-N 2.97Å; E210-S212 PolarHBondContact O-N 3.35Å; E210-S245 WeakPolarHBondContact OE1-CB 3.27Å; E210-S245 PolarHBondContact OE1-OG 3.47Å |
| 211 | N | 86.7 | Confident | 91.3 | Very high | 64 Ų | 64 | 38.6 Ų | 38.6 | 34% | 0.342 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -76.2 | 111.6 | 172.1 | -169.7 | -10.7 | 0 | 0 | 0 | 110.2 | I208 G209 S213 L214 S215 | I208-N211 WeakPolarHBondContact O-CB 3.49Å; I208-N211 PolarHBondContact O-N 3.49Å; I208-N211 VanDerWaalsContact O-N 3.08Å; G209-N211 PolarHBondContact O-N 3.18Å; N211-S213 PolarHBondContact O-N 3.44Å; N211-S213 PolarHBondContact OD1-N 2.97Å; N211-S213 PolarHBondContact OD1-OG 3.38Å; N211-S213 VanDerWaalsContact OD1-OG 3.1Å; N211-L214 PolarHBondContact O-N 2.89Å; N211-S215 PolarHBondContact O-N 2.87Å |
| 212 | S | 82.5 | Confident | 91.3 | Very high | 104 Ų | 104 | 38.7 Ų | 38.7 | 73% | 0.727 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -22 | -177.1 | 55.1 | 0 | 0 | 0 | 0 | 115 | E210 S215 | E210-S212 PolarHBondContact O-N 3.35Å; S212-S215 PolarHBondContact O-OG 3.02Å |
| 213 | S | 85.6 | Confident | 91.2 | Very high | 75 Ų | 75 | 43 Ų | 43 | 52% | 0.524 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -23.8 | 175.2 | 61.6 | 0 | 0 | 0 | 0 | 113.1 | N211 | N211-S213 PolarHBondContact O-N 3.44Å; N211-S213 PolarHBondContact OD1-N 2.97Å; N211-S213 PolarHBondContact OD1-OG 3.38Å; N211-S213 VanDerWaalsContact OD1-OG 3.1Å |
| 214 | L | 89.9 | Confident | 91.1 | Very high | 13 Ų | 13 | 44.5 Ų | 44.5 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -9.9 | -174.9 | -55.3 | 178.9 | 0 | 0 | 0 | 113.7 | P149 E150 L153 I208 N211 N216 A217 V218 | P149-L214 HydrophobicContact CB-CD1 3.73Å; P149-L214 HydrophobicContact CG-CD1 3.85Å; E150-L214 HydrophobicContact CG-CD1 3.99Å; E150-L214 HydrophobicContact CG-CD2 3.35Å; E150-L214 HydrophobicContact CG-CG 4.2Å; L153-L214 HydrophobicContact CD2-CB 4.17Å; I208-L214 HydrophobicContact CG2-CB 4.36Å; I208-L214 HydrophobicContact CG2-CD1 3.92Å; N211-L214 PolarHBondContact O-N 2.89Å; L214-N216 VanDerWaalsContact C-N 3.26Å; L214-N216 PolarHBondContact O-N 2.92Å; L214-N216 VanDerWaalsContact O-N 3.16Å; L214-A217 PolarHBondContact O-N 2.76Å; L214-V218 WeakPolarHBondContact O-CG2 3.31Å; L214-V218 PolarHBondContact O-N 3.03Å |
| 215 | S | 88.8 | Confident | 91.1 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 18% | 0.175 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -49 | -45.3 | -177.5 | 62.6 | 0 | 0 | 0 | 0 | 112.8 | N211 S212 V218 Q219 | N211-S215 PolarHBondContact O-N 2.87Å; S212-S215 PolarHBondContact O-OG 3.02Å; S215-V218 PolarHBondContact O-N 2.96Å; S215-Q219 VanDerWaalsContact O-CB 3.25Å; S215-Q219 WeakPolarHBondContact O-CB 3.33Å; S215-Q219 PolarHBondContact O-N 3.49Å |
| 216 | N | 89.3 | Confident | 90.9 | Very high | 115 Ų | 115 | 45.5 Ų | 45.5 | 62% | 0.615 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63.3 | -44.1 | 178.3 | -67.1 | -21.6 | 0 | 0 | 0 | 112.4 | L214 V218 Q219 D220 | L214-N216 VanDerWaalsContact C-N 3.26Å; L214-N216 PolarHBondContact O-N 2.92Å; L214-N216 VanDerWaalsContact O-N 3.16Å; N216-V218 VanDerWaalsContact C-N 3.35Å; N216-V218 PolarHBondContact O-N 3.3Å; N216-Q219 PolarHBondContact O-N 2.76Å; N216-D220 PolarHBondContact O-N 2.88Å |
| 217 | A | 89.8 | Confident | 90.6 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 36% | 0.355 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69 | -34 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | L153 L214 C221 | L153-A217 HydrophobicContact CD2-CB 3.76Å; L214-A217 PolarHBondContact O-N 2.76Å; A217-C221 PolarHBondContact O-N 3.47Å; A217-C221 PolarHBondContact O-SG 3.26Å; A217-C221 VanDerWaalsContact O-SG 3.36Å |
| 218 | V | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.5 | -41.6 | 171.7 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | L153 L205 I208 L214 S215 N216 D220 C221 F222 F247 | L153-V218 HydrophobicContact CD1-CG2 3.9Å; L153-V218 HydrophobicContact CD2-CG2 3.69Å; L153-V218 HydrophobicContact CG-CG2 4.45Å; L205-V218 HydrophobicContact CB-CG1 4.21Å; L205-V218 HydrophobicContact CD2-CG1 4.42Å; L205-V218 WeakPolarHBondContact O-CG1 3.43Å; I208-V218 HydrophobicContact CB-CG2 4.15Å; I208-V218 HydrophobicContact CG2-CG2 3.66Å; L214-V218 WeakPolarHBondContact O-CG2 3.31Å; L214-V218 PolarHBondContact O-N 3.03Å; S215-V218 PolarHBondContact O-N 2.96Å; N216-V218 VanDerWaalsContact C-N 3.35Å; N216-V218 PolarHBondContact O-N 3.3Å; V218-D220 PolarHBondContact O-N 3.4Å; V218-C221 WeakPolarHBondContact O-CA 3.33Å; V218-C221 VanDerWaalsContact O-CB 3.27Å; V218-C221 WeakPolarHBondContact O-CB 3.4Å; V218-C221 PolarHBondContact O-N 2.73Å; V218-F222 HydrophobicContact CG1-CD2 4.06Å; V218-F222 HydrophobicContact CG1-CE2 3.8Å; V218-F222 WeakPolarHBondContact O-CD2 3.39Å; V218-F222 PolarHBondContact O-N 2.76Å; V218-F247 HydrophobicContact CB-CE1 4.43Å; V218-F247 HydrophobicContact CB-CZ 3.94Å; V218-F247 HydrophobicContact CG1-CE1 3.63Å; V218-F247 HydrophobicContact CG1-CZ 3.53Å |
| 219 | Q | 91.4 | Very high | 90.5 | Very high | 60 Ų | 60 | 54.9 Ų | 54.9 | 28% | 0.28 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.4 | -36 | 177.5 | -165.7 | 161.6 | 18.3 | 0 | 0 | 111.4 | S215 N216 C221 F222 N223 F247 | S215-Q219 VanDerWaalsContact O-CB 3.25Å; S215-Q219 WeakPolarHBondContact O-CB 3.33Å; S215-Q219 PolarHBondContact O-N 3.49Å; N216-Q219 PolarHBondContact O-N 2.76Å; Q219-C221 VanDerWaalsContact C-N 3.25Å; Q219-C221 PolarHBondContact O-N 2.93Å; Q219-F222 PolarHBondContact O-N 2.78Å; Q219-N223 PolarHBondContact O-N 2.94Å; Q219-N223 PolarHBondContact O-OD1 3.26Å; Q219-F247 HydrophobicContact CB-CE2 4.49Å |
| 220 | D | 90 | Very high | 90.6 | Very high | 109 Ų | 109 | 56 Ų | 56 | 58% | 0.583 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -59 | -35 | 171.6 | -72.5 | -27 | 0 | 0 | 0 | 113 | N216 V218 F222 N223 | N216-D220 PolarHBondContact O-N 2.88Å; V218-D220 PolarHBondContact O-N 3.4Å; D220-F222 VanDerWaalsContact C-N 3.34Å; D220-N223 WeakPolarHBondContact CA-ND2 3.05Å; D220-N223 WeakPolarHBondContact O-CB 3.45Å; D220-N223 PolarHBondContact O-N 3.44Å; D220-N223 PolarHBondContact OD1-ND2 3.12Å |
| 221 | C | 94.6 | Very high | 90.8 | Very high | 12 Ų | 12 | 53 Ų | 53 | 8% | 0.081 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.9 | -33.7 | 175.5 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | L160 W196 L205 A217 V218 Q219 | L160-C221 HydrophobicContact CD1-CB 3.98Å; W196-C221 WeakPolarHBondContact CH2-O 3.49Å; W196-C221 VanDerWaalsContact CZ2-O 3.26Å; W196-C221 WeakPolarHBondContact CZ2-O 3.28Å; L205-C221 HydrophobicContact CD2-CB 4.45Å; A217-C221 PolarHBondContact O-N 3.47Å; A217-C221 PolarHBondContact O-SG 3.26Å; A217-C221 VanDerWaalsContact O-SG 3.36Å; V218-C221 WeakPolarHBondContact O-CA 3.33Å; V218-C221 VanDerWaalsContact O-CB 3.27Å; V218-C221 WeakPolarHBondContact O-CB 3.4Å; V218-C221 PolarHBondContact O-N 2.73Å; Q219-C221 VanDerWaalsContact C-N 3.25Å; Q219-C221 PolarHBondContact O-N 2.93Å |
| 222 | F | 95.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -80.8 | -10.5 | 178.5 | -75.8 | -71.2 | 0 | 0 | 0 | 114.3 | W196 I202 L205 V206 V218 Q219 D220 Y224 P225 V226 L233 F247 L251 | W196-F222 HydrophobicContact CE3-CE1 4.44Å; W196-F222 HydrophobicContact CH2-CD1 4.05Å; W196-F222 HydrophobicContact CH2-CE1 4.28Å; W196-F222 AromaticContact CZ3-CD1 3.72Å; W196-F222 HydrophobicContact CZ3-CD1 3.72Å; W196-F222 AromaticContact CZ3-CE1 3.6Å; W196-F222 HydrophobicContact CZ3-CE1 3.6Å; W196-F222 HydrophobicContact CZ3-CZ 4.47Å; I202-F222 HydrophobicContact CG2-CE1 4.18Å; I202-F222 HydrophobicContact CG2-CZ 4.36Å; L205-F222 HydrophobicContact CB-CE2 3.66Å; L205-F222 HydrophobicContact CB-CZ 3.59Å; L205-F222 HydrophobicContact CD1-CE1 4.45Å; L205-F222 HydrophobicContact CD1-CE2 4.37Å; L205-F222 HydrophobicContact CD1-CZ 4.09Å; V206-F222 HydrophobicContact CG2-CZ 4.16Å; V218-F222 HydrophobicContact CG1-CD2 4.06Å; V218-F222 HydrophobicContact CG1-CE2 3.8Å; V218-F222 WeakPolarHBondContact O-CD2 3.39Å; V218-F222 PolarHBondContact O-N 2.76Å; Q219-F222 PolarHBondContact O-N 2.78Å; D220-F222 VanDerWaalsContact C-N 3.34Å; F222-Y224 VanDerWaalsContact C-N 3.26Å; F222-Y224 PolarHBondContact O-N 2.99Å; F222-P225 HydrophobicContact CD1-CG 4.14Å; F222-P225 WeakPolarHBondContact O-CD 3.38Å; F222-P225 VanDerWaalsContact O-CG 3.24Å; F222-P225 WeakPolarHBondContact O-CG 3.49Å; F222-V226 WeakPolarHBondContact O-CB 3.15Å; F222-V226 WeakPolarHBondContact O-CG2 3.4Å; F222-V226 PolarHBondContact O-N 3.2Å; F222-V226 VanDerWaalsContact O-N 3.1Å; F222-L233 HydrophobicContact CD1-CD1 3.81Å; F222-L233 HydrophobicContact CD1-CD2 3.95Å; F222-L233 HydrophobicContact CE1-CD1 3.67Å; F222-F247 HydrophobicContact CE2-CE1 4.29Å; F222-L251 HydrophobicContact CB-CD2 3.81Å; F222-L251 HydrophobicContact CD1-CD2 3.96Å; F222-L251 HydrophobicContact CD2-CD1 3.75Å; F222-L251 HydrophobicContact CD2-CD2 3.84Å; F222-L251 HydrophobicContact CD2-CG 4.39Å; F222-L251 HydrophobicContact CE1-CD2 4.48Å; F222-L251 HydrophobicContact CE2-CD1 3.75Å; F222-L251 HydrophobicContact CE2-CD2 4.36Å; F222-L251 HydrophobicContact CG-CD1 4.39Å; F222-L251 HydrophobicContact CG-CD2 3.61Å; F222-L251 HydrophobicContact CZ-CD1 4.41Å |
| 223 | N | 93.4 | Very high | 91.7 | Very high | 91 Ų | 91 | 45 Ų | 45 | 49% | 0.487 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.2 | -37.5 | 179.2 | -75.3 | -23.7 | 0 | 0 | 0 | 112.9 | Q219 D220 K227 | Q219-N223 PolarHBondContact O-N 2.94Å; Q219-N223 PolarHBondContact O-OD1 3.26Å; D220-N223 WeakPolarHBondContact CA-ND2 3.05Å; D220-N223 WeakPolarHBondContact O-CB 3.45Å; D220-N223 PolarHBondContact O-N 3.44Å; D220-N223 PolarHBondContact OD1-ND2 3.12Å; N223-K227 WeakPolarHBondContact O-CB 3.46Å; N223-K227 PolarHBondContact O-N 3.48Å |
| 224 | Y | 93.6 | Very high | 92.2 | Very high | 72 Ų | 72 | 41.4 Ų | 41.4 | 28% | 0.282 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.9 | -55.9 | 178 | -176.2 | -82.3 | 0 | 0 | 0 | 113.1 | E192 M193 W196 F222 V226 K227 N228 | E192-Y224 HydrophobicContact CB-CE1 3.81Å; E192-Y224 HydrophobicContact CB-CE2 4.25Å; E192-Y224 VanDerWaalsContact CB-CZ 3.5Å; E192-Y224 WeakPolarHBondContact CB-OH 3.38Å; E192-Y224 VanDerWaalsContact OE2-CE2 3.32Å; E192-Y224 WeakPolarHBondContact OE2-CE2 3.32Å; E192-Y224 VanDerWaalsContact OE2-CZ 3.25Å; E192-Y224 PolarHBondContact OE2-OH 3.04Å; M193-Y224 HydrophobicContact CG-CE1 4.17Å; W196-Y224 AromaticContact NE1-CD1 3.88Å; F222-Y224 VanDerWaalsContact C-N 3.26Å; F222-Y224 PolarHBondContact O-N 2.99Å; Y224-V226 VanDerWaalsContact C-N 3.34Å; Y224-V226 PolarHBondContact O-N 3.45Å; Y224-K227 PolarHBondContact O-N 3.4Å; Y224-K227 VanDerWaalsContact O-N 3.13Å; Y224-N228 HydrophobicContact CD1-CB 4.43Å; Y224-N228 WeakPolarHBondContact CD2-ND2 3.34Å; Y224-N228 HydrophobicContact CE1-CB 4.03Å; Y224-N228 WeakPolarHBondContact CE2-ND2 3.5Å; Y224-N228 VanDerWaalsContact CZ-ND2 3.31Å; Y224-N228 PolarHBondContact O-N 3.35Å; Y224-N228 PolarHBondContact O-ND2 3.28Å; Y224-N228 VanDerWaalsContact O-ND2 3.08Å |
| 225 | P | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.8 | -32.3 | -179 | 26.4 | -37.7 | 0 | 0 | 0 | 113.3 | W196 F222 K227 N228 C229 P230 L233 | W196-P225 HydrophobicContact CD2-CB 3.66Å; W196-P225 HydrophobicContact CD2-CG 3.62Å; W196-P225 VanDerWaalsContact CE2-CD 3.5Å; W196-P225 VanDerWaalsContact CE2-CG 3.44Å; W196-P225 HydrophobicContact CE3-CB 4.14Å; W196-P225 HydrophobicContact CE3-CG 3.83Å; W196-P225 HydrophobicContact CG-CB 3.8Å; W196-P225 HydrophobicContact CG-CG 4.28Å; W196-P225 HydrophobicContact CH2-CG 3.72Å; W196-P225 HydrophobicContact CZ2-CB 4.37Å; W196-P225 VanDerWaalsContact CZ2-CD 3.44Å; W196-P225 HydrophobicContact CZ2-CG 3.51Å; W196-P225 HydrophobicContact CZ3-CG 3.88Å; F222-P225 HydrophobicContact CD1-CG 4.14Å; F222-P225 WeakPolarHBondContact O-CD 3.38Å; F222-P225 VanDerWaalsContact O-CG 3.24Å; F222-P225 WeakPolarHBondContact O-CG 3.49Å; P225-K227 PolarHBondContact O-N 3.02Å; P225-N228 PolarHBondContact O-N 3.15Å; P225-C229 CarbonylContact O-C 3.57Å; P225-C229 WeakPolarHBondContact O-CA 3.38Å; P225-C229 PolarHBondContact O-N 3.05Å; P225-P230 VanDerWaalsContact O-N 3.14Å; P225-L233 HydrophobicContact CB-CB 4.41Å; P225-L233 HydrophobicContact CB-CD2 4Å; P225-L233 HydrophobicContact CG-CD2 3.95Å |
| 226 | V | 92.5 | Very high | 92.5 | Very high | 25 Ų | 25 | 39.7 Ų | 39.7 | 15% | 0.152 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.1 | -37.2 | 172.3 | 172 | 0 | 0 | 0 | 0 | 111.1 | F222 Y224 P230 L233 T254 V255 A258 | F222-V226 WeakPolarHBondContact O-CB 3.15Å; F222-V226 WeakPolarHBondContact O-CG2 3.4Å; F222-V226 PolarHBondContact O-N 3.2Å; F222-V226 VanDerWaalsContact O-N 3.1Å; Y224-V226 VanDerWaalsContact C-N 3.34Å; Y224-V226 PolarHBondContact O-N 3.45Å; V226-P230 WeakPolarHBondContact O-CB 3.31Å; V226-L233 HydrophobicContact CG2-CD2 3.77Å; V226-T254 HydrophobicContact CG1-CG2 4.17Å; V226-V255 HydrophobicContact CG2-CG2 3.86Å; V226-A258 HydrophobicContact CG1-CB 4.15Å |
| 227 | K | 88.2 | Confident | 92.8 | Very high | 172 Ų | 172 | 34.2 Ų | 34.2 | 75% | 0.748 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -82.8 | -40.5 | -179.1 | -171.5 | 179.1 | 178.2 | -176.2 | 0 | 113.4 | N223 Y224 P225 | N223-K227 WeakPolarHBondContact O-CB 3.46Å; N223-K227 PolarHBondContact O-N 3.48Å; Y224-K227 PolarHBondContact O-N 3.4Å; Y224-K227 VanDerWaalsContact O-N 3.13Å; P225-K227 PolarHBondContact O-N 3.02Å |
| 228 | N | 89.8 | Confident | 92.9 | Very high | 69 Ų | 69 | 33.2 Ų | 33.2 | 37% | 0.369 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -105.2 | -27.9 | -167 | -61.4 | -57.4 | 0 | 0 | 0 | 114.4 | Y224 P225 | Y224-N228 HydrophobicContact CD1-CB 4.43Å; Y224-N228 WeakPolarHBondContact CD2-ND2 3.34Å; Y224-N228 HydrophobicContact CE1-CB 4.03Å; Y224-N228 WeakPolarHBondContact CE2-ND2 3.5Å; Y224-N228 VanDerWaalsContact CZ-ND2 3.31Å; Y224-N228 PolarHBondContact O-N 3.35Å; Y224-N228 PolarHBondContact O-ND2 3.28Å; Y224-N228 VanDerWaalsContact O-ND2 3.08Å; P225-N228 PolarHBondContact O-N 3.15Å |
| 229 | C | 91.5 | Very high | 92.6 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 5% | 0.047 | 18% | 0.184 | C | C | . | . | trans | -144.6 | 54.3 | 179.7 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | L184 M193 P225 V231 L232 L233 | L184-C229 HydrophobicContact CD2-CB 4.15Å; M193-C229 HydrophobicContact CE-CB 4.24Å; P225-C229 CarbonylContact O-C 3.57Å; P225-C229 WeakPolarHBondContact O-CA 3.38Å; P225-C229 PolarHBondContact O-N 3.05Å; C229-V231 VanDerWaalsContact C-N 3.28Å; C229-V231 PolarHBondContact O-N 3.31Å; C229-L232 HydrophobicContact CB-CB 4.24Å; C229-L232 HydrophobicContact CB-CD2 4.49Å; C229-L232 PolarHBondContact O-N 3.37Å; C229-L233 PolarHBondContact O-N 3.11Å | ||
| 230 | P | 93.5 | Very high | 92.5 | Very high | 26 Ų | 26 | 34.8 Ų | 34.8 | 17% | 0.169 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.6 | -31.7 | -172.3 | 24.1 | -34.2 | 0 | 0 | 0 | 113.6 | P225 V226 L233 L234 V255 A258 V259 | P225-P230 VanDerWaalsContact O-N 3.14Å; V226-P230 WeakPolarHBondContact O-CB 3.31Å; P230-L233 PolarHBondContact O-N 2.55Å; P230-L234 VanDerWaalsContact O-CB 3.32Å; P230-L234 WeakPolarHBondContact O-CB 3.37Å; P230-L234 PolarHBondContact O-N 2.78Å; P230-V255 HydrophobicContact CB-CG1 4.34Å; P230-V255 VanDerWaalsContact O-CG1 3.25Å; P230-V255 WeakPolarHBondContact O-CG1 3.47Å; P230-A258 HydrophobicContact CB-CB 4.13Å; P230-V259 HydrophobicContact CB-CG2 3.82Å; P230-V259 HydrophobicContact CG-CG2 4.41Å |
| 231 | V | 91.8 | Very high | 92 | Very high | 28 Ų | 28 | 31.7 Ų | 31.7 | 17% | 0.17 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.9 | -40.6 | 179.3 | 179 | 0 | 0 | 0 | 0 | 112 | V181 L183 C229 L234 A235 V259 P266 I269 | V181-V231 HydrophobicContact CG1-CG1 4.43Å; L183-V231 HydrophobicContact CD2-CG1 3.84Å; C229-V231 VanDerWaalsContact C-N 3.28Å; C229-V231 PolarHBondContact O-N 3.31Å; V231-L234 PolarHBondContact O-N 2.9Å; V231-A235 PolarHBondContact O-N 3.35Å; V231-V259 HydrophobicContact CG2-CG1 4.41Å; V231-V259 HydrophobicContact CG2-CG2 4.2Å; V231-P266 HydrophobicContact CG1-CB 3.98Å; V231-P266 HydrophobicContact CG1-CG 3.91Å; V231-P266 HydrophobicContact CG2-CG 4.27Å; V231-I269 HydrophobicContact CG1-CD1 3.7Å |
| 232 | L | 93.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.5 | -47.8 | 174.1 | 177.5 | 67.1 | 0 | 0 | 0 | 110.6 | V176 L183 L184 W196 Q197 C229 L234 A235 G236 | V176-L232 HydrophobicContact CB-CD1 3.86Å; V176-L232 HydrophobicContact CG1-CD1 4.07Å; L183-L232 HydrophobicContact CB-CB 4.31Å; L183-L232 HydrophobicContact CB-CD1 3.9Å; L183-L232 HydrophobicContact CD1-CD1 3.97Å; L184-L232 HydrophobicContact CD1-CD2 3.88Å; L184-L232 HydrophobicContact CD2-CD2 4.19Å; L184-L232 HydrophobicContact CG-CD2 4.04Å; W196-L232 HydrophobicContact CB-CD2 4Å; Q197-L232 HydrophobicContact CG-CD1 4.35Å; Q197-L232 HydrophobicContact CG-CD2 4.11Å; C229-L232 HydrophobicContact CB-CB 4.24Å; C229-L232 HydrophobicContact CB-CD2 4.49Å; C229-L232 PolarHBondContact O-N 3.37Å; L232-L234 VanDerWaalsContact C-N 3.34Å; L232-L234 PolarHBondContact O-N 3.06Å; L232-A235 PolarHBondContact O-N 2.88Å; L232-G236 PolarHBondContact O-N 2.87Å |
| 233 | L | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63 | -40.3 | 178.3 | -178.4 | 59.6 | 0 | 0 | 0 | 111.6 | I202 F222 P225 V226 C229 P230 A235 G236 L237 V255 | I202-L233 HydrophobicContact CD1-CD1 4.21Å; I202-L233 HydrophobicContact CG1-CD1 4.4Å; I202-L233 HydrophobicContact CG2-CD1 4.11Å; F222-L233 HydrophobicContact CD1-CD1 3.81Å; F222-L233 HydrophobicContact CD1-CD2 3.95Å; F222-L233 HydrophobicContact CE1-CD1 3.67Å; P225-L233 HydrophobicContact CB-CB 4.41Å; P225-L233 HydrophobicContact CB-CD2 4Å; P225-L233 HydrophobicContact CG-CD2 3.95Å; V226-L233 HydrophobicContact CG2-CD2 3.77Å; C229-L233 PolarHBondContact O-N 3.11Å; P230-L233 PolarHBondContact O-N 2.55Å; L233-A235 PolarHBondContact O-N 3.42Å; L233-G236 PolarHBondContact O-N 3Å; L233-L237 HydrophobicContact CD1-CD1 4.23Å; L233-L237 HydrophobicContact CD1-CG 4.06Å; L233-L237 HydrophobicContact CG-CD1 4.01Å; L233-L237 HydrophobicContact CG-CG 4.3Å; L233-L237 WeakPolarHBondContact O-CB 3.41Å; L233-L237 VanDerWaalsContact O-CG 3.31Å; L233-L237 WeakPolarHBondContact O-CG 3.43Å; L233-L237 PolarHBondContact O-N 3.17Å; L233-V255 HydrophobicContact CD2-CG2 3.53Å; L233-V255 HydrophobicContact CG-CG2 3.95Å |
| 234 | L | 95.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -46.7 | 176.1 | -173.8 | 66 | 0 | 0 | 0 | 111.4 | P230 V231 L232 L237 F238 L252 V255 L256 V259 I269 F270 | P230-L234 VanDerWaalsContact O-CB 3.32Å; P230-L234 WeakPolarHBondContact O-CB 3.37Å; P230-L234 PolarHBondContact O-N 2.78Å; V231-L234 PolarHBondContact O-N 2.9Å; L232-L234 VanDerWaalsContact C-N 3.34Å; L232-L234 PolarHBondContact O-N 3.06Å; L234-L237 PolarHBondContact O-N 2.87Å; L234-F238 HydrophobicContact CD1-CD2 4.07Å; L234-F238 HydrophobicContact CD1-CE2 3.53Å; L234-F238 HydrophobicContact CD1-CZ 4.24Å; L234-F238 HydrophobicContact CD2-CE2 4.27Å; L234-F238 HydrophobicContact CG-CD2 3.98Å; L234-F238 HydrophobicContact CG-CE2 3.74Å; L234-F238 VanDerWaalsContact O-CD2 3.31Å; L234-F238 WeakPolarHBondContact O-CD2 3.1Å; L234-F238 PolarHBondContact O-N 3.26Å; L234-L252 HydrophobicContact CD1-CD2 4.04Å; L234-V255 HydrophobicContact CB-CG1 3.73Å; L234-V255 HydrophobicContact CD1-CG1 4.06Å; L234-V255 HydrophobicContact CG-CG1 4.47Å; L234-L256 HydrophobicContact CD1-CD2 3.68Å; L234-L256 HydrophobicContact CD1-CG 3.88Å; L234-L256 HydrophobicContact CD2-CD2 4.11Å; L234-V259 HydrophobicContact CB-CG2 4.42Å; L234-V259 HydrophobicContact CD2-CB 4.46Å; L234-V259 HydrophobicContact CD2-CG1 4.31Å; L234-V259 HydrophobicContact CD2-CG2 4.06Å; L234-I269 HydrophobicContact CD2-CG2 4.24Å; L234-I269 HydrophobicContact CG-CG2 4.32Å; L234-F270 HydrophobicContact CD2-CE1 4.05Å; L234-F270 HydrophobicContact CD2-CZ 4.1Å |
| 235 | A | 92.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V176 V178 L183 V231 L232 L233 F238 M239 I269 | V176-A235 HydrophobicContact CG1-CB 3.48Å; V176-A235 VanDerWaalsContact CG1-CB 3.48Å; V178-A235 HydrophobicContact CG2-CB 3.77Å; L183-A235 HydrophobicContact CD1-CB 4.34Å; L183-A235 HydrophobicContact CD2-CB 4.04Å; V231-A235 PolarHBondContact O-N 3.35Å; L232-A235 PolarHBondContact O-N 2.88Å; L233-A235 PolarHBondContact O-N 3.42Å; A235-F238 PolarHBondContact O-N 3.4Å; A235-M239 VanDerWaalsContact O-CG 3.29Å; A235-M239 WeakPolarHBondContact O-CG 3.28Å; A235-M239 PolarHBondContact O-N 3.06Å; A235-M239 VanDerWaalsContact O-N 3.1Å; A235-I269 HydrophobicContact CB-CD1 4.08Å |
| 236 | G | 93 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.4 | -47.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V176 L232 L233 F238 M239 I240 | V176-G236 VanDerWaalsContact CG1-N 3.34Å; L232-G236 PolarHBondContact O-N 2.87Å; L233-G236 PolarHBondContact O-N 3Å; G236-F238 VanDerWaalsContact C-N 3.29Å; G236-F238 PolarHBondContact O-N 3.43Å; G236-M239 PolarHBondContact O-N 3.12Å; G236-I240 WeakPolarHBondContact O-CG1 3.31Å; G236-I240 PolarHBondContact O-N 3.41Å |
| 237 | L | 95 | Very high | 89.5 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.1 | -26.6 | 178.3 | -72.4 | 174.7 | 0 | 0 | 0 | 113.6 | I202 V206 L233 L234 I240 R248 L251 L252 V255 | I202-L237 HydrophobicContact CG2-CD2 3.92Å; I202-L237 HydrophobicContact CG2-CG 4.4Å; V206-L237 HydrophobicContact CG2-CD2 3.79Å; L233-L237 HydrophobicContact CD1-CD1 4.23Å; L233-L237 HydrophobicContact CD1-CG 4.06Å; L233-L237 HydrophobicContact CG-CD1 4.01Å; L233-L237 HydrophobicContact CG-CG 4.3Å; L233-L237 WeakPolarHBondContact O-CB 3.41Å; L233-L237 VanDerWaalsContact O-CG 3.31Å; L233-L237 WeakPolarHBondContact O-CG 3.43Å; L233-L237 PolarHBondContact O-N 3.17Å; L234-L237 PolarHBondContact O-N 2.87Å; L237-I240 HydrophobicContact CD2-CD1 4.24Å; L237-R248 PolarHBondContact O-NE 2.87Å; L237-R248 PolarHBondContact O-NH2 3.4Å; L237-L251 HydrophobicContact CD1-CB 4.16Å; L237-L251 HydrophobicContact CD1-CD2 4.34Å; L237-L252 HydrophobicContact CB-CD2 3.65Å; L237-L252 HydrophobicContact CB-CG 4.2Å; L237-L252 HydrophobicContact CD1-CD2 4.24Å; L237-L252 HydrophobicContact CD1-CG 4.42Å; L237-V255 HydrophobicContact CD1-CG2 3.93Å |
| 238 | F | 92.1 | Very high | 89.8 | Confident | 22 Ų | 22 | 27.4 Ų | 27.4 | 10% | 0.096 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -81.4 | -23.8 | 171.3 | -79 | -54.3 | 0 | 0 | 0 | 113.2 | L234 A235 G236 L252 I269 A273 Y284 L288 | L234-F238 HydrophobicContact CD1-CD2 4.07Å; L234-F238 HydrophobicContact CD1-CE2 3.53Å; L234-F238 HydrophobicContact CD1-CZ 4.24Å; L234-F238 HydrophobicContact CD2-CE2 4.27Å; L234-F238 HydrophobicContact CG-CD2 3.98Å; L234-F238 HydrophobicContact CG-CE2 3.74Å; L234-F238 VanDerWaalsContact O-CD2 3.31Å; L234-F238 WeakPolarHBondContact O-CD2 3.1Å; L234-F238 PolarHBondContact O-N 3.26Å; A235-F238 PolarHBondContact O-N 3.4Å; G236-F238 VanDerWaalsContact C-N 3.29Å; G236-F238 PolarHBondContact O-N 3.43Å; F238-L252 HydrophobicContact CD1-CD2 4.17Å; F238-L252 HydrophobicContact CE1-CD1 4.36Å; F238-L252 HydrophobicContact CE1-CD2 3.94Å; F238-L252 HydrophobicContact CE2-CD2 4.33Å; F238-L252 HydrophobicContact CG-CD2 4.45Å; F238-L252 HydrophobicContact CZ-CD2 4.02Å; F238-I269 HydrophobicContact CD2-CG2 3.84Å; F238-I269 HydrophobicContact CE2-CG2 4.25Å; F238-A273 HydrophobicContact CD1-CB 3.85Å; F238-A273 HydrophobicContact CD2-CB 4.11Å; F238-A273 HydrophobicContact CE1-CB 3.73Å; F238-A273 HydrophobicContact CE2-CB 3.97Å; F238-A273 HydrophobicContact CG-CB 4.06Å; F238-A273 HydrophobicContact CZ-CB 3.8Å; F238-Y284 AromaticContact CD1-CD1 3.98Å; F238-Y284 HydrophobicContact CD1-CD1 3.98Å; F238-Y284 HydrophobicContact CD1-CD2 4.27Å; F238-Y284 AromaticContact CD1-CE1 3.99Å; F238-Y284 HydrophobicContact CD1-CE1 3.99Å; F238-Y284 HydrophobicContact CD1-CE2 4.26Å; F238-Y284 HydrophobicContact CD1-CG 4.15Å; F238-Y284 AromaticContact CE1-CD1 3.84Å; F238-Y284 HydrophobicContact CE1-CD1 3.84Å; F238-Y284 HydrophobicContact CE1-CE1 4.27Å; F238-Y284 HydrophobicContact CE1-CG 4.01Å; F238-L288 HydrophobicContact CZ-CD2 4.36Å |
| 239 | M | 88.3 | Confident | 89.8 | Confident | 77 Ų | 77 | 27.9 Ų | 27.9 | 38% | 0.379 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -84 | -17.2 | -177.8 | -73.9 | -176.6 | 67.7 | 0 | 0 | 114.5 | V176 L199 A235 G236 | V176-M239 HydrophobicContact CG1-SD 4.24Å; L199-M239 HydrophobicContact CD1-CB 4.14Å; A235-M239 VanDerWaalsContact O-CG 3.29Å; A235-M239 WeakPolarHBondContact O-CG 3.28Å; A235-M239 PolarHBondContact O-N 3.06Å; A235-M239 VanDerWaalsContact O-N 3.1Å; G236-M239 PolarHBondContact O-N 3.12Å |
| 240 | I | 88.3 | Confident | 89.7 | Confident | 16 Ų | 16 | 33.1 Ų | 33.1 | 8% | 0.082 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -60.8 | 136.3 | 173.4 | -62.4 | 167.1 | 0 | 0 | 0 | 109.6 | L199 I202 T203 V206 G236 L237 R248 | L199-I240 HydrophobicContact CD1-CG1 4.08Å; I202-I240 HydrophobicContact CG2-CD1 3.82Å; T203-I240 HydrophobicContact CG2-CG2 4.36Å; V206-I240 HydrophobicContact CB-CD1 4.43Å; V206-I240 HydrophobicContact CG2-CD1 4.02Å; G236-I240 WeakPolarHBondContact O-CG1 3.31Å; G236-I240 PolarHBondContact O-N 3.41Å; L237-I240 HydrophobicContact CD2-CD1 4.24Å; I240-R248 PolarHBondContact O-NH1 3.25Å; I240-R248 VanDerWaalsContact O-NH1 3.13Å; I240-R248 PolarHBondContact O-NH2 2.75Å |
| 241 | G | 81.2 | Confident | 89.7 | Confident | 44 Ų | 44 | 32.1 Ų | 32.1 | 45% | 0.454 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -62.5 | 169 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R248 | G241-R248 PolarHBondContact O-NH1 2.97Š|
| 242 | P | 79.3 | Confident | 89.8 | Confident | 78 Ų | 78 | 30.8 Ų | 30.8 | 51% | 0.506 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -64.1 | 155.5 | 169.8 | 23.6 | -30.4 | 0 | 0 | 0 | 112.2 | ||
| 243 | P | 79.4 | Confident | 89.7 | Confident | 107 Ų | 107 | 32.6 Ų | 32.6 | 70% | 0.695 | 20% | 0.197 | S | C | * | . | P | Polyproline II helix | cis | -81.1 | 162.1 | 0.1 | 32.3 | -34.5 | 0 | 0 | 0 | 114.2 | S245 | P243-S245 PolarHBondContact O-N 3.48Š|
| 244 | V | 86.5 | Confident | 89.6 | Confident | 19 Ų | 19 | 35.4 Ų | 35.4 | 12% | 0.115 | 22% | 0.215 | C | C | . | . | trans | -88 | 91.5 | 171.7 | -169.3 | 0 | 0 | 0 | 0 | 109.1 | R248 Q249 C280 T283 Y284 I287 | V244-R248 HydrophobicContact CG1-CG 4.3Å; V244-Q249 HydrophobicContact CG1-CG 3.65Å; V244-Q249 PolarHBondContact O-NE2 2.75Å; V244-Q249 VanDerWaalsContact O-NE2 3.17Å; V244-C280 HydrophobicContact CG2-CB 3.79Å; V244-C280 VanDerWaalsContact CG2-SG 3.5Å; V244-T283 HydrophobicContact CB-CG2 4.22Å; V244-T283 HydrophobicContact CG1-CG2 4.33Å; V244-T283 HydrophobicContact CG2-CG2 4.48Å; V244-Y284 HydrophobicContact CG1-CE1 4.26Å; V244-Y284 HydrophobicContact CG2-CD1 4.41Å; V244-Y284 HydrophobicContact CG2-CE1 3.59Å; V244-I287 HydrophobicContact CG1-CD1 4.41Å | ||
| 245 | S | 86.8 | Confident | 89.5 | Confident | 17 Ų | 17 | 35.4 Ų | 35.4 | 12% | 0.119 | 22% | 0.215 | C | C | . | . | trans | -65.7 | 159.4 | -178.3 | 62.1 | 0 | 0 | 0 | 0 | 113.9 | E210 P243 F247 R248 Q249 | E210-S245 WeakPolarHBondContact OE1-CB 3.27Å; E210-S245 PolarHBondContact OE1-OG 3.47Å; P243-S245 PolarHBondContact O-N 3.48Å; S245-F247 VanDerWaalsContact C-N 3.32Å; S245-F247 PolarHBondContact O-N 2.88Å; S245-R248 WeakPolarHBondContact O-CB 3.48Å; S245-R248 PolarHBondContact O-N 3.25Å; S245-R248 VanDerWaalsContact O-N 3.12Å; S245-Q249 WeakPolarHBondContact O-CG 3.43Å; S245-Q249 PolarHBondContact O-N 2.92Å | ||
| 246 | G | 86.7 | Confident | 89.5 | Confident | 49 Ų | 49 | 35.3 Ų | 35.3 | 51% | 0.505 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -56.1 | -45.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R248 Q249 E250 | G246-R248 VanDerWaalsContact C-N 3.34Å; G246-R248 PolarHBondContact O-N 3.22Å; G246-Q249 WeakPolarHBondContact O-CB 3.3Å; G246-Q249 PolarHBondContact O-N 2.89Å; G246-Q249 VanDerWaalsContact O-N 3.11Å; G246-E250 PolarHBondContact O-N 3.22Å |
| 247 | F | 91.5 | Very high | 89.3 | Confident | 14 Ų | 14 | 36.6 Ų | 36.6 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.5 | -42.2 | 176.4 | -175.9 | -108.2 | 0 | 0 | 0 | 112.3 | G209 V218 Q219 F222 S245 Q249 E250 L251 | G209-F247 WeakPolarHBondContact O-CD2 3.22Å; G209-F247 WeakPolarHBondContact O-CG 3.33Å; V218-F247 HydrophobicContact CB-CE1 4.43Å; V218-F247 HydrophobicContact CB-CZ 3.94Å; V218-F247 HydrophobicContact CG1-CE1 3.63Å; V218-F247 HydrophobicContact CG1-CZ 3.53Å; Q219-F247 HydrophobicContact CB-CE2 4.49Å; F222-F247 HydrophobicContact CE2-CE1 4.29Å; S245-F247 VanDerWaalsContact C-N 3.32Å; S245-F247 PolarHBondContact O-N 2.88Å; F247-Q249 VanDerWaalsContact C-N 3.34Å; F247-Q249 PolarHBondContact O-N 3.06Å; F247-E250 PolarHBondContact O-N 2.96Å; F247-L251 HydrophobicContact CD1-CD1 3.7Å; F247-L251 HydrophobicContact CE1-CD1 3.15Å; F247-L251 HydrophobicContact CE2-CD1 4.27Å; F247-L251 HydrophobicContact CG-CD1 4.44Å; F247-L251 HydrophobicContact CZ-CD1 3.49Å; F247-L251 VanDerWaalsContact CZ-CD1 3.49Å; F247-L251 PolarHBondContact O-N 2.87Å |
| 248 | R | 93.7 | Very high | 88.9 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.1 | -36.5 | 175.5 | -175.3 | 177.8 | 171.1 | -170.2 | 1.8 | 112.6 | V206 L237 I240 G241 V244 S245 G246 L251 L252 Y284 | V206-R248 HydrophobicContact CG1-CB 3.9Å; V206-R248 HydrophobicContact CG1-CG 4.35Å; L237-R248 PolarHBondContact O-NE 2.87Å; L237-R248 PolarHBondContact O-NH2 3.4Å; I240-R248 PolarHBondContact O-NH1 3.25Å; I240-R248 VanDerWaalsContact O-NH1 3.13Å; I240-R248 PolarHBondContact O-NH2 2.75Å; G241-R248 PolarHBondContact O-NH1 2.97Å; V244-R248 HydrophobicContact CG1-CG 4.3Å; S245-R248 WeakPolarHBondContact O-CB 3.48Å; S245-R248 PolarHBondContact O-N 3.25Å; S245-R248 VanDerWaalsContact O-N 3.12Å; G246-R248 VanDerWaalsContact C-N 3.34Å; G246-R248 PolarHBondContact O-N 3.22Å; R248-L251 PolarHBondContact O-N 2.98Å; R248-L252 HydrophobicContact CG-CD1 4.26Å; R248-L252 WeakPolarHBondContact O-CB 3.46Å; R248-L252 WeakPolarHBondContact O-CG 3.48Å; R248-L252 PolarHBondContact O-N 3.23Å; R248-Y284 PolarHBondContact NH2-OH 3.29Å |
| 249 | Q | 91.4 | Very high | 88.8 | Confident | 79 Ų | 79 | 37 Ų | 37 | 37% | 0.369 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.7 | -42.4 | 176.1 | -62.7 | -176 | 17.5 | 0 | 0 | 111.5 | V244 S245 G246 F247 L252 H253 I287 | V244-Q249 HydrophobicContact CG1-CG 3.65Å; V244-Q249 PolarHBondContact O-NE2 2.75Å; V244-Q249 VanDerWaalsContact O-NE2 3.17Å; S245-Q249 WeakPolarHBondContact O-CG 3.43Å; S245-Q249 PolarHBondContact O-N 2.92Å; G246-Q249 WeakPolarHBondContact O-CB 3.3Å; G246-Q249 PolarHBondContact O-N 2.89Å; G246-Q249 VanDerWaalsContact O-N 3.11Å; F247-Q249 VanDerWaalsContact C-N 3.34Å; F247-Q249 PolarHBondContact O-N 3.06Å; Q249-L252 PolarHBondContact O-N 2.79Å; Q249-H253 PolarHBondContact O-N 3.27Å; Q249-I287 HydrophobicContact CB-CD1 4.39Å; Q249-I287 HydrophobicContact CG-CD1 3.97Å |
| 250 | E | 89.6 | Confident | 88.7 | Confident | 117 Ų | 117 | 33.5 Ų | 33.5 | 55% | 0.547 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.2 | -46.8 | 175 | -69.9 | -177.7 | 171.4 | 0 | 0 | 111.3 | G246 F247 H253 T254 | G246-E250 PolarHBondContact O-N 3.22Å; F247-E250 PolarHBondContact O-N 2.96Å; E250-H253 WeakPolarHBondContact O-CB 3.14Å; E250-H253 PolarHBondContact O-N 2.98Å; E250-T254 PolarHBondContact O-N 2.86Å; E250-T254 PolarHBondContact O-OG1 3.43Å |
| 251 | L | 92.6 | Very high | 88.2 | Confident | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.7 | -46 | 175.8 | -105.2 | 147.3 | 0 | 0 | 0 | 113.1 | F222 L237 F247 R248 H253 T254 V255 | F222-L251 HydrophobicContact CB-CD2 3.81Å; F222-L251 HydrophobicContact CD1-CD2 3.96Å; F222-L251 HydrophobicContact CD2-CD1 3.75Å; F222-L251 HydrophobicContact CD2-CD2 3.84Å; F222-L251 HydrophobicContact CD2-CG 4.39Å; F222-L251 HydrophobicContact CE1-CD2 4.48Å; F222-L251 HydrophobicContact CE2-CD1 3.75Å; F222-L251 HydrophobicContact CE2-CD2 4.36Å; F222-L251 HydrophobicContact CG-CD1 4.39Å; F222-L251 HydrophobicContact CG-CD2 3.61Å; F222-L251 HydrophobicContact CZ-CD1 4.41Å; L237-L251 HydrophobicContact CD1-CB 4.16Å; L237-L251 HydrophobicContact CD1-CD2 4.34Å; F247-L251 HydrophobicContact CD1-CD1 3.7Å; F247-L251 HydrophobicContact CE1-CD1 3.15Å; F247-L251 HydrophobicContact CE2-CD1 4.27Å; F247-L251 HydrophobicContact CG-CD1 4.44Å; F247-L251 HydrophobicContact CZ-CD1 3.49Å; F247-L251 VanDerWaalsContact CZ-CD1 3.49Å; F247-L251 PolarHBondContact O-N 2.87Å; R248-L251 PolarHBondContact O-N 2.98Å; L251-H253 VanDerWaalsContact C-N 3.26Å; L251-H253 PolarHBondContact O-N 3.44Å; L251-T254 PolarHBondContact O-N 3.22Å; L251-V255 VanDerWaalsContact O-CG2 3.3Å; L251-V255 WeakPolarHBondContact O-CG2 3.32Å; L251-V255 PolarHBondContact O-N 3.25Å |
| 252 | L | 94.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.5 | -42.9 | 174.6 | -81.4 | 167.9 | 0 | 0 | 0 | 110.6 | L234 L237 F238 R248 Q249 T254 V255 L256 Y284 I287 | L234-L252 HydrophobicContact CD1-CD2 4.04Å; L237-L252 HydrophobicContact CB-CD2 3.65Å; L237-L252 HydrophobicContact CB-CG 4.2Å; L237-L252 HydrophobicContact CD1-CD2 4.24Å; L237-L252 HydrophobicContact CD1-CG 4.42Å; F238-L252 HydrophobicContact CD1-CD2 4.17Å; F238-L252 HydrophobicContact CE1-CD1 4.36Å; F238-L252 HydrophobicContact CE1-CD2 3.94Å; F238-L252 HydrophobicContact CE2-CD2 4.33Å; F238-L252 HydrophobicContact CG-CD2 4.45Å; F238-L252 HydrophobicContact CZ-CD2 4.02Å; R248-L252 HydrophobicContact CG-CD1 4.26Å; R248-L252 WeakPolarHBondContact O-CB 3.46Å; R248-L252 WeakPolarHBondContact O-CG 3.48Å; R248-L252 PolarHBondContact O-N 3.23Å; Q249-L252 PolarHBondContact O-N 2.79Å; L252-T254 PolarHBondContact O-N 2.96Å; L252-V255 PolarHBondContact O-N 3.43Å; L252-L256 WeakPolarHBondContact O-CB 3.34Å; L252-L256 WeakPolarHBondContact O-CD1 3.35Å; L252-L256 WeakPolarHBondContact O-CG 3.45Å; L252-L256 PolarHBondContact O-N 2.8Å; L252-Y284 HydrophobicContact CD1-CE1 4.32Å; L252-I287 HydrophobicContact CB-CG2 4.25Å; L252-I287 HydrophobicContact CD1-CD1 4.01Å |
| 253 | H | 91.3 | Very high | 87.3 | Confident | 39 Ų | 39 | 38.5 Ų | 38.5 | 18% | 0.181 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64 | -40 | 177.7 | -160.6 | -64 | 0 | 0 | 0 | 112.3 | Q249 E250 L251 L257 H290 S294 | Q249-H253 PolarHBondContact O-N 3.27Å; E250-H253 WeakPolarHBondContact O-CB 3.14Å; E250-H253 PolarHBondContact O-N 2.98Å; L251-H253 VanDerWaalsContact C-N 3.26Å; L251-H253 PolarHBondContact O-N 3.44Å; H253-L257 WeakPolarHBondContact O-CG 3.33Å; H253-L257 PolarHBondContact O-N 3.38Å; H253-H290 AromaticContact CD2-ND1 3.53Å; H253-H290 AromaticContact NE2-CE1 3.68Å; H253-H290 AromaticContact NE2-ND1 3.09Å; H253-H290 PolarHBondContact NE2-ND1 3.22Å; H253-S294 PolarHBondContact CE1-OG 3.25Å |
| 254 | T | 91.3 | Very high | 86.8 | Confident | 59 Ų | 59 | 39.7 Ų | 39.7 | 36% | 0.362 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.4 | -46.6 | 175.9 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | V226 E250 L251 L252 L257 A258 | V226-T254 HydrophobicContact CG1-CG2 4.17Å; E250-T254 PolarHBondContact O-N 2.86Å; E250-T254 PolarHBondContact O-OG1 3.43Å; L251-T254 PolarHBondContact O-N 3.22Å; L252-T254 PolarHBondContact O-N 2.96Å; T254-L257 PolarHBondContact O-N 3.27Å; T254-A258 PolarHBondContact O-N 2.96Å |
| 255 | V | 94.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.4 | -40.2 | -178.8 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | V226 P230 L233 L234 L237 L251 L252 L257 A258 V259 | V226-V255 HydrophobicContact CG2-CG2 3.86Å; P230-V255 HydrophobicContact CB-CG1 4.34Å; P230-V255 VanDerWaalsContact O-CG1 3.25Å; P230-V255 WeakPolarHBondContact O-CG1 3.47Å; L233-V255 HydrophobicContact CD2-CG2 3.53Å; L233-V255 HydrophobicContact CG-CG2 3.95Å; L234-V255 HydrophobicContact CB-CG1 3.73Å; L234-V255 HydrophobicContact CD1-CG1 4.06Å; L234-V255 HydrophobicContact CG-CG1 4.47Å; L237-V255 HydrophobicContact CD1-CG2 3.93Å; L251-V255 VanDerWaalsContact O-CG2 3.3Å; L251-V255 WeakPolarHBondContact O-CG2 3.32Å; L251-V255 PolarHBondContact O-N 3.25Å; L252-V255 PolarHBondContact O-N 3.43Å; V255-L257 VanDerWaalsContact C-N 3.3Å; V255-L257 PolarHBondContact O-N 2.59Å; V255-A258 WeakPolarHBondContact O-CB 3.45Å; V255-A258 PolarHBondContact O-N 2.7Å; V255-A258 VanDerWaalsContact O-N 3.11Å; V255-V259 HydrophobicContact CG1-CG2 4.25Å; V255-V259 WeakPolarHBondContact O-CG2 3.46Å; V255-V259 PolarHBondContact O-N 3.44Å |
| 256 | L | 93.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.3 | -43.1 | 177.5 | -77.4 | 166.6 | 0 | 0 | 0 | 111.5 | L234 L252 A258 V259 Y260 F270 I287 L288 | L234-L256 HydrophobicContact CD1-CD2 3.68Å; L234-L256 HydrophobicContact CD1-CG 3.88Å; L234-L256 HydrophobicContact CD2-CD2 4.11Å; L252-L256 WeakPolarHBondContact O-CB 3.34Å; L252-L256 WeakPolarHBondContact O-CD1 3.35Å; L252-L256 WeakPolarHBondContact O-CG 3.45Å; L252-L256 PolarHBondContact O-N 2.8Å; L256-A258 VanDerWaalsContact C-N 3.34Å; L256-A258 PolarHBondContact O-N 3.31Å; L256-V259 PolarHBondContact O-N 3.41Å; L256-Y260 HydrophobicContact CB-CE2 4.23Å; L256-Y260 HydrophobicContact CD2-CE1 4.32Å; L256-Y260 WeakPolarHBondContact O-CB 3.33Å; L256-Y260 WeakPolarHBondContact O-CD1 3.5Å; L256-Y260 WeakPolarHBondContact O-CD2 3.3Å; L256-Y260 PolarHBondContact O-N 2.93Å; L256-F270 HydrophobicContact CD2-CD1 4.45Å; L256-F270 HydrophobicContact CD2-CE1 3.53Å; L256-F270 HydrophobicContact CD2-CZ 4.34Å; L256-I287 HydrophobicContact CD1-CG2 3.65Å; L256-L288 HydrophobicContact CD1-CD2 4.17Å; L256-L288 HydrophobicContact CD2-CD2 3.83Å |
| 257 | L | 88.1 | Confident | 86.3 | Confident | 27 Ų | 27 | 40.8 Ų | 40.8 | 14% | 0.141 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.9 | -42.5 | 175.2 | -71.7 | 170.7 | 0 | 0 | 0 | 111.8 | H253 T254 V255 V259 Y260 D261 W295 | H253-L257 WeakPolarHBondContact O-CG 3.33Å; H253-L257 PolarHBondContact O-N 3.38Å; T254-L257 PolarHBondContact O-N 3.27Å; V255-L257 VanDerWaalsContact C-N 3.3Å; V255-L257 PolarHBondContact O-N 2.59Å; L257-V259 PolarHBondContact O-N 3.38Å; L257-Y260 PolarHBondContact O-N 2.85Å; L257-D261 PolarHBondContact O-N 3.3Å; L257-W295 HydrophobicContact CD2-CB 3.76Å; L257-W295 HydrophobicContact CD2-CG 4.31Å |
| 258 | A | 86.1 | Confident | 85.9 | Confident | 31 Ų | 31 | 42.9 Ų | 42.9 | 26% | 0.256 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.4 | -36.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | V226 P230 T254 V255 L256 | V226-A258 HydrophobicContact CG1-CB 4.15Å; P230-A258 HydrophobicContact CB-CB 4.13Å; T254-A258 PolarHBondContact O-N 2.96Å; V255-A258 WeakPolarHBondContact O-CB 3.45Å; V255-A258 PolarHBondContact O-N 2.7Å; V255-A258 VanDerWaalsContact O-N 3.11Å; L256-A258 VanDerWaalsContact C-N 3.34Å; L256-A258 PolarHBondContact O-N 3.31Å |
| 259 | V | 90.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.8 | -35.1 | 176.4 | 174.2 | 0 | 0 | 0 | 0 | 111.7 | P230 V231 L234 V255 L256 L257 D261 S262 L265 P266 F270 | P230-V259 HydrophobicContact CB-CG2 3.82Å; P230-V259 HydrophobicContact CG-CG2 4.41Å; V231-V259 HydrophobicContact CG2-CG1 4.41Å; V231-V259 HydrophobicContact CG2-CG2 4.2Å; L234-V259 HydrophobicContact CB-CG2 4.42Å; L234-V259 HydrophobicContact CD2-CB 4.46Å; L234-V259 HydrophobicContact CD2-CG1 4.31Å; L234-V259 HydrophobicContact CD2-CG2 4.06Å; V255-V259 HydrophobicContact CG1-CG2 4.25Å; V255-V259 WeakPolarHBondContact O-CG2 3.46Å; V255-V259 PolarHBondContact O-N 3.44Å; L256-V259 PolarHBondContact O-N 3.41Å; L257-V259 PolarHBondContact O-N 3.38Å; V259-D261 PolarHBondContact O-N 3.11Å; V259-S262 WeakPolarHBondContact O-CB 3.39Å; V259-S262 PolarHBondContact O-N 3.42Å; V259-L265 HydrophobicContact CG1-CD2 4.42Å; V259-P266 HydrophobicContact CG1-CG 3.97Å; V259-F270 HydrophobicContact CG1-CZ 4.05Å |
| 260 | Y | 87.3 | Confident | 85.5 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.2 | -22.7 | 178.6 | -72.8 | -11.1 | 0 | 0 | 0 | 114.3 | L256 L257 S262 L265 F270 S291 I292 W295 F309 | L256-Y260 HydrophobicContact CB-CE2 4.23Å; L256-Y260 HydrophobicContact CD2-CE1 4.32Å; L256-Y260 WeakPolarHBondContact O-CB 3.33Å; L256-Y260 WeakPolarHBondContact O-CD1 3.5Å; L256-Y260 WeakPolarHBondContact O-CD2 3.3Å; L256-Y260 PolarHBondContact O-N 2.93Å; L257-Y260 PolarHBondContact O-N 2.85Å; Y260-S262 VanDerWaalsContact C-N 3.29Å; Y260-L265 HydrophobicContact CD1-CD2 3.76Å; Y260-L265 HydrophobicContact CE1-CD2 4.37Å; Y260-F270 HydrophobicContact CD1-CZ 4.27Å; Y260-F270 AromaticContact CE1-CE1 3.83Å; Y260-F270 HydrophobicContact CE1-CE1 3.83Å; Y260-F270 AromaticContact CE1-CZ 3.66Å; Y260-F270 HydrophobicContact CE1-CZ 3.66Å; Y260-S291 PolarHBondContact OH-OG 3.25Å; Y260-I292 HydrophobicContact CE2-CG1 3.72Å; Y260-I292 WeakPolarHBondContact OH-CG1 3.43Å; Y260-W295 HydrophobicContact CD2-CB 4.1Å; Y260-W295 HydrophobicContact CD2-CG 4.2Å; Y260-F309 AromaticContact CD1-CE1 3.45Å; Y260-F309 HydrophobicContact CD1-CE1 3.45Å; Y260-F309 VanDerWaalsContact CD1-CE1 3.45Å; Y260-F309 AromaticContact CD1-CZ 3.89Å; Y260-F309 HydrophobicContact CD1-CZ 3.89Å; Y260-F309 HydrophobicContact CD2-CE1 4.27Å; Y260-F309 HydrophobicContact CD2-CZ 4.16Å; Y260-F309 AromaticContact CE1-CE1 3.87Å; Y260-F309 HydrophobicContact CE1-CE1 3.87Å; Y260-F309 AromaticContact CG-CE1 3.67Å; Y260-F309 HydrophobicContact CG-CE1 3.67Å; Y260-F309 AromaticContact CG-CZ 3.62Å; Y260-F309 HydrophobicContact CG-CZ 3.62Å |
| 261 | D | 77.5 | Confident | 85.2 | Confident | 89 Ų | 89 | 35.1 Ų | 35.1 | 48% | 0.476 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -8.1 | 173.8 | -67 | -28.4 | 0 | 0 | 0 | 112.9 | L257 V259 W295 K305 | L257-D261 PolarHBondContact O-N 3.3Å; V259-D261 PolarHBondContact O-N 3.11Å; D261-W295 PolarHBondContact OD1-NE1 2.92Å; D261-K305 IonicContact OD1-NZ 3.7Å |
| 262 | S | 74.8 | Confident | 84.6 | Confident | 49 Ų | 49 | 41.1 Ų | 41.1 | 34% | 0.343 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -76.5 | 140.4 | 173.3 | -165.7 | 0 | 0 | 0 | 0 | 111.1 | V259 Y260 D264 | V259-S262 WeakPolarHBondContact O-CB 3.39Å; V259-S262 PolarHBondContact O-N 3.42Å; Y260-S262 VanDerWaalsContact C-N 3.29Å; S262-D264 VanDerWaalsContact C-N 3.26Å; S262-D264 PolarHBondContact O-N 3.02Å |
| 263 | P | 65.9 | Low | 84.2 | Confident | 105 Ų | 105 | 41.4 Ų | 41.4 | 68% | 0.682 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -63.2 | -30.9 | 178.3 | 24 | -33.3 | 0 | 0 | 0 | 113.2 | ||
| 264 | D | 68.9 | Low | 84 | Confident | 131 Ų | 131 | 40.4 Ų | 40.4 | 70% | 0.701 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -110.5 | 103.4 | -176.5 | -66.5 | -44.7 | 0 | 0 | 0 | 111.1 | S262 P266 | S262-D264 VanDerWaalsContact C-N 3.26Å; S262-D264 PolarHBondContact O-N 3.02Å; D264-P266 WeakPolarHBondContact O-CD 3.26Å |
| 265 | L | 82.3 | Confident | 83.5 | Confident | 28 Ų | 28 | 43.6 Ų | 43.6 | 15% | 0.147 | 24% | 0.238 | C | C | . | . | trans | -73.9 | 127.4 | 177 | -72.6 | 168.3 | 0 | 0 | 0 | 110.9 | V259 Y260 L267 F270 F309 | V259-L265 HydrophobicContact CG1-CD2 4.42Å; Y260-L265 HydrophobicContact CD1-CD2 3.76Å; Y260-L265 HydrophobicContact CE1-CD2 4.37Å; L265-L267 PolarHBondContact O-N 3.42Å; L265-F270 HydrophobicContact CB-CE2 4.25Å; L265-F270 HydrophobicContact CD2-CE2 4.02Å; L265-F270 HydrophobicContact CD2-CZ 4.3Å; L265-F309 HydrophobicContact CD1-CD1 3.94Å; L265-F309 HydrophobicContact CD1-CE1 3.73Å; L265-F309 HydrophobicContact CD2-CE1 4.09Å | ||
| 266 | P | 84.7 | Confident | 82.7 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | trans | -76 | 70 | 177.6 | 32.6 | -38.7 | 0 | 0 | 0 | 111.7 | V181 V231 V259 D264 P268 I269 F270 | V181-P266 HydrophobicContact CG1-CB 4.06Å; V231-P266 HydrophobicContact CG1-CB 3.98Å; V231-P266 HydrophobicContact CG1-CG 3.91Å; V231-P266 HydrophobicContact CG2-CG 4.27Å; V259-P266 HydrophobicContact CG1-CG 3.97Å; D264-P266 WeakPolarHBondContact O-CD 3.26Å; P266-P268 VanDerWaalsContact C-N 3.3Å; P266-P268 VanDerWaalsContact O-N 3.1Å; P266-I269 HydrophobicContact CB-CD1 3.75Å; P266-I269 HydrophobicContact CB-CG1 4.12Å; P266-I269 HydrophobicContact CG-CD1 3.98Å; P266-I269 WeakPolarHBondContact O-CB 3.39Å; P266-I269 PolarHBondContact O-N 3.48Å; P266-F270 HydrophobicContact CG-CE2 3.97Å; P266-F270 WeakPolarHBondContact O-CD2 3.26Å | ||
| 267 | L | 82.8 | Confident | 81.5 | Confident | 67 Ų | 67 | 54.6 Ų | 54.6 | 35% | 0.351 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -44.9 | -41.6 | -177.2 | -74.1 | 169.8 | 0 | 0 | 0 | 114.7 | L265 I269 F270 V271 M312 | L265-L267 PolarHBondContact O-N 3.42Å; L267-I269 VanDerWaalsContact C-N 3.28Å; L267-I269 PolarHBondContact O-N 2.89Å; L267-F270 PolarHBondContact O-N 3.28Å; L267-V271 WeakPolarHBondContact O-CG2 3.28Å; L267-V271 PolarHBondContact O-N 3.12Å; L267-M312 HydrophobicContact CD2-CB 3.87Å; L267-M312 HydrophobicContact CD2-CG 3.58Å; L267-M312 HydrophobicContact CD2-SD 4.16Å |
| 268 | P | 83 | Confident | 81 | Confident | 58 Ų | 58 | 56.2 Ų | 56.2 | 38% | 0.377 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.9 | -34.9 | 179 | -25.7 | 36.3 | 0 | 0 | 0 | 114 | V181 P266 K272 | V181-P268 HydrophobicContact CG2-CB 3.66Å; V181-P268 HydrophobicContact CG2-CG 3.6Å; P266-P268 VanDerWaalsContact C-N 3.3Å; P266-P268 VanDerWaalsContact O-N 3.1Å; P268-K272 WeakPolarHBondContact O-CB 3.38Å; P268-K272 PolarHBondContact O-N 2.95Å |
| 269 | I | 87.9 | Confident | 80.3 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.2 | -48.8 | 176.3 | -58.7 | 179.3 | 0 | 0 | 0 | 109.3 | V178 V181 L183 V231 L234 A235 F238 P266 L267 K272 A273 | V178-I269 HydrophobicContact CB-CG1 4.36Å; V178-I269 HydrophobicContact CG1-CG1 4.05Å; V178-I269 HydrophobicContact CG2-CG1 4.18Å; V181-I269 HydrophobicContact CG1-CD1 4.35Å; V181-I269 HydrophobicContact CG2-CG1 4.46Å; L183-I269 HydrophobicContact CD2-CD1 3.97Å; V231-I269 HydrophobicContact CG1-CD1 3.7Å; L234-I269 HydrophobicContact CD2-CG2 4.24Å; L234-I269 HydrophobicContact CG-CG2 4.32Å; A235-I269 HydrophobicContact CB-CD1 4.08Å; F238-I269 HydrophobicContact CD2-CG2 3.84Å; F238-I269 HydrophobicContact CE2-CG2 4.25Å; P266-I269 HydrophobicContact CB-CD1 3.75Å; P266-I269 HydrophobicContact CB-CG1 4.12Å; P266-I269 HydrophobicContact CG-CD1 3.98Å; P266-I269 WeakPolarHBondContact O-CB 3.39Å; P266-I269 PolarHBondContact O-N 3.48Å; L267-I269 VanDerWaalsContact C-N 3.28Å; L267-I269 PolarHBondContact O-N 2.89Å; I269-K272 PolarHBondContact O-N 3.15Å; I269-A273 PolarHBondContact O-N 3.24Å |
| 270 | F | 89.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 179.3 | -63 | -66.2 | 0 | 0 | 0 | 112.8 | L234 L256 V259 Y260 L265 P266 L267 K272 A273 W274 L288 M312 F316 | L234-F270 HydrophobicContact CD2-CE1 4.05Å; L234-F270 HydrophobicContact CD2-CZ 4.1Å; L256-F270 HydrophobicContact CD2-CD1 4.45Å; L256-F270 HydrophobicContact CD2-CE1 3.53Å; L256-F270 HydrophobicContact CD2-CZ 4.34Å; V259-F270 HydrophobicContact CG1-CZ 4.05Å; Y260-F270 HydrophobicContact CD1-CZ 4.27Å; Y260-F270 AromaticContact CE1-CE1 3.83Å; Y260-F270 HydrophobicContact CE1-CE1 3.83Å; Y260-F270 AromaticContact CE1-CZ 3.66Å; Y260-F270 HydrophobicContact CE1-CZ 3.66Å; L265-F270 HydrophobicContact CB-CE2 4.25Å; L265-F270 HydrophobicContact CD2-CE2 4.02Å; L265-F270 HydrophobicContact CD2-CZ 4.3Å; P266-F270 HydrophobicContact CG-CE2 3.97Å; P266-F270 WeakPolarHBondContact O-CD2 3.26Å; L267-F270 PolarHBondContact O-N 3.28Å; F270-K272 VanDerWaalsContact C-N 3.3Å; F270-K272 PolarHBondContact O-N 3.33Å; F270-A273 PolarHBondContact O-N 3.39Å; F270-W274 VanDerWaalsContact O-CB 3.29Å; F270-W274 WeakPolarHBondContact O-CB 3.32Å; F270-W274 PolarHBondContact O-N 2.94Å; F270-L288 HydrophobicContact CD1-CD2 3.69Å; F270-L288 HydrophobicContact CE1-CD2 4Å; F270-M312 HydrophobicContact CB-SD 4.25Å; F270-M312 HydrophobicContact CD1-SD 4.47Å; F270-M312 HydrophobicContact CD2-SD 3.78Å; F270-M312 HydrophobicContact CE2-SD 4.21Å; F270-M312 HydrophobicContact CG-SD 3.93Å; F270-F316 HydrophobicContact CB-CE1 4.26Å; F270-F316 HydrophobicContact CB-CE2 4.02Å; F270-F316 HydrophobicContact CB-CZ 3.37Å; F270-F316 HydrophobicContact CG-CZ 4.4Å |
| 271 | V | 83 | Confident | 79.3 | Confident | 30 Ų | 30 | 66 Ų | 66 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 174.9 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | L267 W274 K275 F316 | L267-V271 WeakPolarHBondContact O-CG2 3.28Å; L267-V271 PolarHBondContact O-N 3.12Å; V271-W274 PolarHBondContact O-N 3.14Å; V271-K275 HydrophobicContact CG1-CD 3.92Å; V271-K275 HydrophobicContact CG1-CG 4.48Å; V271-K275 WeakPolarHBondContact O-CB 3.42Å; V271-K275 WeakPolarHBondContact O-CG 3.25Å; V271-K275 PolarHBondContact O-N 2.85Å; V271-F316 HydrophobicContact CB-CE1 4.38Å; V271-F316 HydrophobicContact CG2-CD1 3.93Å; V271-F316 HydrophobicContact CG2-CE1 3.45Å; V271-F316 VanDerWaalsContact CG2-CE1 3.45Å; V271-F316 HydrophobicContact CG2-CZ 4.5Å |
| 272 | K | 79.7 | Confident | 79.5 | Confident | 130 Ų | 130 | 65.3 Ų | 65.3 | 57% | 0.565 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.3 | -42.7 | 179.7 | -171.4 | 163 | -178.6 | 177.4 | 0 | 111.5 | P268 I269 F270 D276 | P268-K272 WeakPolarHBondContact O-CB 3.38Å; P268-K272 PolarHBondContact O-N 2.95Å; I269-K272 PolarHBondContact O-N 3.15Å; F270-K272 VanDerWaalsContact C-N 3.3Å; F270-K272 PolarHBondContact O-N 3.33Å; K272-D276 PolarHBondContact O-N 2.99Å |
| 273 | A | 86.2 | Confident | 80 | Confident | 5 Ų | 5 | 64.9 Ų | 64.9 | 4% | 0.041 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F238 I269 F270 K275 D276 L288 | F238-A273 HydrophobicContact CD1-CB 3.85Å; F238-A273 HydrophobicContact CD2-CB 4.11Å; F238-A273 HydrophobicContact CE1-CB 3.73Å; F238-A273 HydrophobicContact CE2-CB 3.97Å; F238-A273 HydrophobicContact CG-CB 4.06Å; F238-A273 HydrophobicContact CZ-CB 3.8Å; I269-A273 PolarHBondContact O-N 3.24Å; F270-A273 PolarHBondContact O-N 3.39Å; A273-K275 VanDerWaalsContact C-N 3.34Å; A273-K275 PolarHBondContact O-N 3.28Å; A273-D276 WeakPolarHBondContact O-CB 3.41Å; A273-D276 PolarHBondContact O-N 3.22Å; A273-L288 HydrophobicContact CB-CD1 4.29Å |
| 274 | W | 87.4 | Confident | 81.2 | Confident | 18 Ų | 18 | 60 Ų | 60 | 7% | 0.068 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.7 | -33.7 | -178.6 | -169.7 | -93.3 | 0 | 0 | 0 | 113.4 | F270 V271 R285 L288 V289 F316 A318 A321 F322 | F270-W274 VanDerWaalsContact O-CB 3.29Å; F270-W274 WeakPolarHBondContact O-CB 3.32Å; F270-W274 PolarHBondContact O-N 2.94Å; V271-W274 PolarHBondContact O-N 3.14Å; W274-R285 HydrophobicContact CD2-CG 3.83Å; W274-R285 HydrophobicContact CE3-CB 4.26Å; W274-R285 HydrophobicContact CE3-CG 3.78Å; W274-R285 HydrophobicContact CG-CG 4.45Å; W274-R285 HydrophobicContact CH2-CB 4.1Å; W274-R285 HydrophobicContact CH2-CG 4.07Å; W274-R285 HydrophobicContact CZ2-CG 4.12Å; W274-R285 HydrophobicContact CZ3-CB 3.93Å; W274-R285 HydrophobicContact CZ3-CG 3.91Å; W274-R285 PolarHBondContact O-NE 3.16Å; W274-R285 PolarHBondContact O-NH2 3.36Å; W274-L288 HydrophobicContact CE3-CB 4.31Å; W274-L288 HydrophobicContact CE3-CD1 3.86Å; W274-L288 HydrophobicContact CZ3-CB 4.2Å; W274-V289 HydrophobicContact CH2-CG2 3.9Å; W274-V289 HydrophobicContact CZ3-CG2 4.05Å; W274-F316 HydrophobicContact CD2-CB 4.42Å; W274-F316 HydrophobicContact CD2-CD2 4.19Å; W274-F316 HydrophobicContact CE3-CD2 4.33Å; W274-F316 HydrophobicContact CG-CB 4.27Å; W274-F316 HydrophobicContact CG-CD2 4.27Å; W274-F316 HydrophobicContact CG-CG 4.27Å; W274-A318 HydrophobicContact CH2-CB 3.69Å; W274-A318 HydrophobicContact CZ2-CB 3.26Å; W274-A318 HydrophobicContact CZ3-CB 4.49Å; W274-A321 HydrophobicContact CH2-CB 4.36Å; W274-F322 HydrophobicContact CH2-CE2 4.26Å |
| 275 | K | 80.1 | Confident | 82.2 | Confident | 127 Ų | 127 | 57.9 Ų | 57.9 | 55% | 0.552 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | 7.6 | 179.5 | -64.9 | -176 | -179.7 | 174.1 | 0 | 113.4 | V271 A273 Q277 | V271-K275 HydrophobicContact CG1-CD 3.92Å; V271-K275 HydrophobicContact CG1-CG 4.48Å; V271-K275 WeakPolarHBondContact O-CB 3.42Å; V271-K275 WeakPolarHBondContact O-CG 3.25Å; V271-K275 PolarHBondContact O-N 2.85Å; A273-K275 VanDerWaalsContact C-N 3.34Å; A273-K275 PolarHBondContact O-N 3.28Å; K275-Q277 PolarHBondContact O-N 3.4Å |
| 276 | D | 77.3 | Confident | 82.5 | Confident | 40 Ų | 40 | 62 Ų | 62 | 21% | 0.214 | 31% | 0.312 | C | S | . | . | trans | -55.7 | 134.2 | -178.6 | -170.3 | 15.4 | 0 | 0 | 0 | 110.2 | K272 A273 T278 Q281 Y284 | K272-D276 PolarHBondContact O-N 2.99Å; A273-D276 WeakPolarHBondContact O-CB 3.41Å; A273-D276 PolarHBondContact O-N 3.22Å; D276-T278 WeakPolarHBondContact OD1-CG2 3Å; D276-T278 PolarHBondContact OD1-N 3.39Å; D276-T278 PolarHBondContact OD2-OG1 3.43Å; D276-Q281 WeakPolarHBondContact O-CB 3.44Å; D276-Q281 WeakPolarHBondContact O-CG 3.28Å; D276-Q281 PolarHBondContact O-NE2 2.77Å; D276-Y284 HydrophobicContact CB-CD2 4.27Å; D276-Y284 WeakPolarHBondContact OD2-CE2 3.44Å | ||
| 277 | Q | 69.3 | Low | 82.8 | Confident | 190 Ų | 190 | 62 Ų | 62 | 89% | 0.888 | 31% | 0.312 | S | S | * | . | trans | -96.6 | 2.7 | -175.7 | -67.4 | -175.2 | -6.2 | 0 | 0 | 112.6 | K275 | K275-Q277 PolarHBondContact O-N 3.4Š| ||
| 278 | T | 76.2 | Confident | 83.2 | Confident | 61 Ų | 61 | 59 Ų | 59 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -76.7 | 169.9 | 175.8 | 71.6 | 0 | 0 | 0 | 0 | 111.8 | D276 C280 Q281 | D276-T278 WeakPolarHBondContact OD1-CG2 3Å; D276-T278 PolarHBondContact OD1-N 3.39Å; D276-T278 PolarHBondContact OD2-OG1 3.43Å; T278-C280 PolarHBondContact O-N 3.11Å; T278-C280 WeakPolarHBondContact OG1-CB 3.17Å; T278-C280 PolarHBondContact OG1-N 3.11Å; T278-Q281 PolarHBondContact O-N 2.84Å; T278-Q281 VanDerWaalsContact O-N 3.13Å |
| 279 | E | 72.1 | Confident | 83.5 | Confident | 179 Ų | 179 | 57.1 Ų | 57.1 | 84% | 0.836 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -15.3 | 173.5 | -65.8 | 179.6 | 172.7 | 0 | 0 | 113.1 | Q281 | E279-Q281 VanDerWaalsContact C-N 3.31Å; E279-Q281 PolarHBondContact O-N 3.38Å |
| 280 | C | 74.4 | Confident | 83.6 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 3% | 0.034 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -11.7 | 177.5 | -55.3 | 0 | 0 | 0 | 0 | 113.9 | V244 T278 S282 T283 Y284 | V244-C280 HydrophobicContact CG2-CB 3.79Å; V244-C280 VanDerWaalsContact CG2-SG 3.5Å; T278-C280 PolarHBondContact O-N 3.11Å; T278-C280 WeakPolarHBondContact OG1-CB 3.17Å; T278-C280 PolarHBondContact OG1-N 3.11Å; C280-S282 PolarHBondContact O-N 3.03Å; C280-T283 WeakPolarHBondContact O-CA 3.44Å; C280-T283 WeakPolarHBondContact O-CB 3.38Å; C280-T283 PolarHBondContact O-N 3.12Å; C280-Y284 HydrophobicContact CB-CD2 3.91Å; C280-Y284 HydrophobicContact CB-CE1 4.11Å; C280-Y284 HydrophobicContact CB-CE2 3.44Å; C280-Y284 VanDerWaalsContact CB-CE2 3.44Å; C280-Y284 HydrophobicContact CB-CG 4.42Å; C280-Y284 PolarHBondContact O-N 3.39Å |
| 281 | Q | 81.6 | Confident | 83.6 | Confident | 57 Ų | 57 | 62.4 Ų | 62.4 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -53.9 | -48.6 | -170.4 | -172.3 | -178.8 | 64.2 | 0 | 0 | 113.2 | D276 T278 E279 T283 Y284 R285 | D276-Q281 WeakPolarHBondContact O-CB 3.44Å; D276-Q281 WeakPolarHBondContact O-CG 3.28Å; D276-Q281 PolarHBondContact O-NE2 2.77Å; T278-Q281 PolarHBondContact O-N 2.84Å; T278-Q281 VanDerWaalsContact O-N 3.13Å; E279-Q281 VanDerWaalsContact C-N 3.31Å; E279-Q281 PolarHBondContact O-N 3.38Å; Q281-T283 VanDerWaalsContact C-N 3.27Å; Q281-T283 PolarHBondContact O-N 2.87Å; Q281-Y284 PolarHBondContact O-N 3.47Å; Q281-R285 WeakPolarHBondContact O-CB 3.39Å; Q281-R285 WeakPolarHBondContact O-CG 3.5Å; Q281-R285 PolarHBondContact O-N 2.87Å |
| 282 | S | 82 | Confident | 83.9 | Confident | 73 Ų | 73 | 61.1 Ų | 61.1 | 51% | 0.51 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 179.3 | 49 | 0 | 0 | 0 | 0 | 111.4 | C280 N286 | C280-S282 PolarHBondContact O-N 3.03Å; S282-N286 WeakPolarHBondContact O-CB 3.11Å; S282-N286 PolarHBondContact O-N 3.29Å; S282-N286 PolarHBondContact O-ND2 2.99Å |
| 283 | T | 85.8 | Confident | 84.4 | Confident | 40 Ų | 40 | 55.3 Ų | 55.3 | 25% | 0.245 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.8 | -47.1 | 179.4 | -46.2 | 0 | 0 | 0 | 0 | 110.9 | V244 C280 Q281 R285 N286 I287 | V244-T283 HydrophobicContact CB-CG2 4.22Å; V244-T283 HydrophobicContact CG1-CG2 4.33Å; V244-T283 HydrophobicContact CG2-CG2 4.48Å; C280-T283 WeakPolarHBondContact O-CA 3.44Å; C280-T283 WeakPolarHBondContact O-CB 3.38Å; C280-T283 PolarHBondContact O-N 3.12Å; Q281-T283 VanDerWaalsContact C-N 3.27Å; Q281-T283 PolarHBondContact O-N 2.87Å; T283-R285 PolarHBondContact O-N 3.2Å; T283-N286 PolarHBondContact O-N 3.08Å; T283-I287 HydrophobicContact CG2-CD1 4.03Å; T283-I287 VanDerWaalsContact O-CG1 3.24Å; T283-I287 WeakPolarHBondContact O-CG1 3.41Å; T283-I287 PolarHBondContact O-N 3.44Å |
| 284 | Y | 91.5 | Very high | 84.4 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 176.7 | -63.6 | -27.6 | 0 | 0 | 0 | 112.9 | F238 V244 R248 L252 D276 C280 Q281 N286 I287 L288 | F238-Y284 AromaticContact CD1-CD1 3.98Å; F238-Y284 HydrophobicContact CD1-CD1 3.98Å; F238-Y284 HydrophobicContact CD1-CD2 4.27Å; F238-Y284 AromaticContact CD1-CE1 3.99Å; F238-Y284 HydrophobicContact CD1-CE1 3.99Å; F238-Y284 HydrophobicContact CD1-CE2 4.26Å; F238-Y284 HydrophobicContact CD1-CG 4.15Å; F238-Y284 AromaticContact CE1-CD1 3.84Å; F238-Y284 HydrophobicContact CE1-CD1 3.84Å; F238-Y284 HydrophobicContact CE1-CE1 4.27Å; F238-Y284 HydrophobicContact CE1-CG 4.01Å; V244-Y284 HydrophobicContact CG1-CE1 4.26Å; V244-Y284 HydrophobicContact CG2-CD1 4.41Å; V244-Y284 HydrophobicContact CG2-CE1 3.59Å; R248-Y284 PolarHBondContact NH2-OH 3.29Å; L252-Y284 HydrophobicContact CD1-CE1 4.32Å; D276-Y284 HydrophobicContact CB-CD2 4.27Å; D276-Y284 WeakPolarHBondContact OD2-CE2 3.44Å; C280-Y284 HydrophobicContact CB-CD2 3.91Å; C280-Y284 HydrophobicContact CB-CE1 4.11Å; C280-Y284 HydrophobicContact CB-CE2 3.44Å; C280-Y284 VanDerWaalsContact CB-CE2 3.44Å; C280-Y284 HydrophobicContact CB-CG 4.42Å; C280-Y284 PolarHBondContact O-N 3.39Å; Q281-Y284 PolarHBondContact O-N 3.47Å; Y284-N286 VanDerWaalsContact C-N 3.34Å; Y284-I287 HydrophobicContact CD1-CD1 4.33Å; Y284-I287 PolarHBondContact O-N 3.31Å; Y284-L288 WeakPolarHBondContact O-CB 3.39Å; Y284-L288 WeakPolarHBondContact O-CG 3.39Å; Y284-L288 PolarHBondContact O-N 3.39Å |
| 285 | R | 89.5 | Confident | 84.4 | Confident | 86 Ų | 86 | 55 Ų | 55 | 33% | 0.325 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 173.3 | -73.4 | -176.4 | -179.1 | 171.9 | 5.7 | 111.5 | W274 Q281 T283 L288 V289 | W274-R285 HydrophobicContact CD2-CG 3.83Å; W274-R285 HydrophobicContact CE3-CB 4.26Å; W274-R285 HydrophobicContact CE3-CG 3.78Å; W274-R285 HydrophobicContact CG-CG 4.45Å; W274-R285 HydrophobicContact CH2-CB 4.1Å; W274-R285 HydrophobicContact CH2-CG 4.07Å; W274-R285 HydrophobicContact CZ2-CG 4.12Å; W274-R285 HydrophobicContact CZ3-CB 3.93Å; W274-R285 HydrophobicContact CZ3-CG 3.91Å; W274-R285 PolarHBondContact O-NE 3.16Å; W274-R285 PolarHBondContact O-NH2 3.36Å; Q281-R285 WeakPolarHBondContact O-CB 3.39Å; Q281-R285 WeakPolarHBondContact O-CG 3.5Å; Q281-R285 PolarHBondContact O-N 2.87Å; T283-R285 PolarHBondContact O-N 3.2Å; R285-L288 PolarHBondContact O-N 3.47Å; R285-V289 WeakPolarHBondContact O-CB 3.46Å; R285-V289 VanDerWaalsContact O-CG2 3.25Å; R285-V289 WeakPolarHBondContact O-CG2 3.25Å; R285-V289 PolarHBondContact O-N 3.32Å |
| 286 | N | 88.4 | Confident | 84.7 | Confident | 113 Ų | 113 | 49.3 Ų | 49.3 | 60% | 0.604 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -64.3 | -41.8 | 177.5 | -71.7 | -18.3 | 0 | 0 | 0 | 112 | S282 T283 Y284 V289 H290 | S282-N286 WeakPolarHBondContact O-CB 3.11Å; S282-N286 PolarHBondContact O-N 3.29Å; S282-N286 PolarHBondContact O-ND2 2.99Å; T283-N286 PolarHBondContact O-N 3.08Å; Y284-N286 VanDerWaalsContact C-N 3.34Å; N286-V289 PolarHBondContact O-N 3.34Å; N286-H290 VanDerWaalsContact O-CB 3.25Å; N286-H290 WeakPolarHBondContact O-CB 3.12Å; N286-H290 PolarHBondContact O-N 3.4Å |
| 287 | I | 90.2 | Very high | 85 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 8% | 0.077 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 175.9 | -69.6 | 165.1 | 0 | 0 | 0 | 110.5 | V244 Q249 L252 L256 T283 Y284 V289 H290 S291 | V244-I287 HydrophobicContact CG1-CD1 4.41Å; Q249-I287 HydrophobicContact CB-CD1 4.39Å; Q249-I287 HydrophobicContact CG-CD1 3.97Å; L252-I287 HydrophobicContact CB-CG2 4.25Å; L252-I287 HydrophobicContact CD1-CD1 4.01Å; L256-I287 HydrophobicContact CD1-CG2 3.65Å; T283-I287 HydrophobicContact CG2-CD1 4.03Å; T283-I287 VanDerWaalsContact O-CG1 3.24Å; T283-I287 WeakPolarHBondContact O-CG1 3.41Å; T283-I287 PolarHBondContact O-N 3.44Å; Y284-I287 HydrophobicContact CD1-CD1 4.33Å; Y284-I287 PolarHBondContact O-N 3.31Å; I287-V289 PolarHBondContact O-N 3.35Å; I287-H290 PolarHBondContact O-N 2.95Å; I287-S291 WeakPolarHBondContact O-CB 3.17Å; I287-S291 PolarHBondContact O-N 3.49Å; I287-S291 PolarHBondContact O-OG 3.37Å; I287-S291 VanDerWaalsContact O-OG 3.08Å |
| 288 | L | 91.4 | Very high | 85.7 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.3 | -38 | 179.7 | -72.5 | 171.4 | 0 | 0 | 0 | 112.8 | F238 L256 F270 A273 W274 Y284 R285 S291 I292 | F238-L288 HydrophobicContact CZ-CD2 4.36Å; L256-L288 HydrophobicContact CD1-CD2 4.17Å; L256-L288 HydrophobicContact CD2-CD2 3.83Å; F270-L288 HydrophobicContact CD1-CD2 3.69Å; F270-L288 HydrophobicContact CE1-CD2 4Å; A273-L288 HydrophobicContact CB-CD1 4.29Å; W274-L288 HydrophobicContact CE3-CB 4.31Å; W274-L288 HydrophobicContact CE3-CD1 3.86Å; W274-L288 HydrophobicContact CZ3-CB 4.2Å; Y284-L288 WeakPolarHBondContact O-CB 3.39Å; Y284-L288 WeakPolarHBondContact O-CG 3.39Å; Y284-L288 PolarHBondContact O-N 3.39Å; R285-L288 PolarHBondContact O-N 3.47Å; L288-S291 WeakPolarHBondContact CA-OG 3.41Å; L288-S291 PolarHBondContact O-OG 2.92Å; L288-S291 VanDerWaalsContact O-OG 3.05Å; L288-I292 WeakPolarHBondContact O-CD1 3.15Å; L288-I292 WeakPolarHBondContact O-CG1 3.3Å; L288-I292 PolarHBondContact O-N 3.45Å |
| 289 | V | 89.8 | Confident | 86 | Confident | 19 Ų | 19 | 49.1 Ų | 49.1 | 12% | 0.115 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -47.9 | 174.3 | 171.7 | 0 | 0 | 0 | 0 | 110 | W274 R285 N286 I287 V293 A321 F322 V325 | W274-V289 HydrophobicContact CH2-CG2 3.9Å; W274-V289 HydrophobicContact CZ3-CG2 4.05Å; R285-V289 WeakPolarHBondContact O-CB 3.46Å; R285-V289 VanDerWaalsContact O-CG2 3.25Å; R285-V289 WeakPolarHBondContact O-CG2 3.25Å; R285-V289 PolarHBondContact O-N 3.32Å; N286-V289 PolarHBondContact O-N 3.34Å; I287-V289 PolarHBondContact O-N 3.35Å; V289-V293 WeakPolarHBondContact O-CG2 3.47Å; V289-V293 PolarHBondContact O-N 3.13Å; V289-A321 HydrophobicContact CG2-CB 4.43Å; V289-F322 HydrophobicContact CB-CE1 4.21Å; V289-F322 HydrophobicContact CB-CZ 4.24Å; V289-F322 HydrophobicContact CG1-CD1 4.26Å; V289-F322 HydrophobicContact CG1-CE1 4.19Å; V289-F322 HydrophobicContact CG2-CD2 4.36Å; V289-F322 HydrophobicContact CG2-CE1 4.09Å; V289-F322 HydrophobicContact CG2-CE2 3.85Å; V289-F322 HydrophobicContact CG2-CZ 3.7Å; V289-V325 HydrophobicContact CG1-CG2 3.36Å |
| 290 | H | 89.8 | Confident | 86.1 | Confident | 116 Ų | 116 | 43.5 Ų | 43.5 | 54% | 0.537 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.6 | -40 | -179.1 | -170.2 | -80.9 | 0 | 0 | 0 | 112.7 | H253 N286 I287 V293 S294 | H253-H290 AromaticContact CD2-ND1 3.53Å; H253-H290 AromaticContact NE2-CE1 3.68Å; H253-H290 AromaticContact NE2-ND1 3.09Å; H253-H290 PolarHBondContact NE2-ND1 3.22Å; N286-H290 VanDerWaalsContact O-CB 3.25Å; N286-H290 WeakPolarHBondContact O-CB 3.12Å; N286-H290 PolarHBondContact O-N 3.4Å; I287-H290 PolarHBondContact O-N 2.95Å; H290-V293 PolarHBondContact O-N 3.14Å; H290-S294 VanDerWaalsContact O-CB 3.27Å; H290-S294 WeakPolarHBondContact O-CB 3.43Å; H290-S294 PolarHBondContact O-N 3.34Å |
| 291 | S | 90.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.8 | -41.1 | -178.4 | 59.2 | 0 | 0 | 0 | 0 | 112.4 | Y260 I287 L288 S294 W295 | Y260-S291 PolarHBondContact OH-OG 3.25Å; I287-S291 WeakPolarHBondContact O-CB 3.17Å; I287-S291 PolarHBondContact O-N 3.49Å; I287-S291 PolarHBondContact O-OG 3.37Å; I287-S291 VanDerWaalsContact O-OG 3.08Å; L288-S291 WeakPolarHBondContact CA-OG 3.41Å; L288-S291 PolarHBondContact O-OG 2.92Å; L288-S291 VanDerWaalsContact O-OG 3.05Å; S291-S294 PolarHBondContact O-N 2.94Å; S291-W295 WeakPolarHBondContact O-CB 3.41Å; S291-W295 PolarHBondContact O-N 3.49Å |
| 292 | I | 89.7 | Confident | 85.6 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.2 | -40.2 | 177.9 | -65.6 | 170.3 | 0 | 0 | 0 | 110.6 | Y260 L288 W295 Y296 F309 M312 F322 F330 | Y260-I292 HydrophobicContact CE2-CG1 3.72Å; Y260-I292 WeakPolarHBondContact OH-CG1 3.43Å; L288-I292 WeakPolarHBondContact O-CD1 3.15Å; L288-I292 WeakPolarHBondContact O-CG1 3.3Å; L288-I292 PolarHBondContact O-N 3.45Å; I292-W295 PolarHBondContact O-N 3.4Å; I292-Y296 PolarHBondContact O-N 3.28Å; I292-F309 HydrophobicContact CG2-CB 4.3Å; I292-F309 HydrophobicContact CG2-CG 4.29Å; I292-M312 HydrophobicContact CD1-CE 3.33Å; I292-M312 HydrophobicContact CG1-CE 4.34Å; I292-F322 HydrophobicContact CB-CE1 4.05Å; I292-F322 HydrophobicContact CD1-CE1 3.93Å; I292-F322 HydrophobicContact CD1-CZ 3.78Å; I292-F322 HydrophobicContact CG2-CE1 4.17Å; I292-F330 HydrophobicContact CG2-CE2 4.35Å; I292-F330 HydrophobicContact CG2-CZ 4.32Å |
| 293 | V | 88.8 | Confident | 84.9 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 6% | 0.055 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.9 | -44.3 | 176.3 | 175.1 | 0 | 0 | 0 | 0 | 110.4 | V289 H290 W295 Y296 E297 V325 H327 F330 | V289-V293 WeakPolarHBondContact O-CG2 3.47Å; V289-V293 PolarHBondContact O-N 3.13Å; H290-V293 PolarHBondContact O-N 3.14Å; V293-W295 VanDerWaalsContact C-N 3.33Å; V293-W295 PolarHBondContact O-N 2.92Å; V293-Y296 WeakPolarHBondContact O-CB 3.44Å; V293-Y296 PolarHBondContact O-N 3.36Å; V293-E297 WeakPolarHBondContact O-CG 3.29Å; V293-E297 PolarHBondContact O-N 2.95Å; V293-V325 HydrophobicContact CG1-CG1 4.06Å; V293-V325 HydrophobicContact CG2-CB 4.44Å; V293-V325 HydrophobicContact CG2-CG1 3.78Å; V293-V325 HydrophobicContact CG2-CG2 4.17Å; V293-H327 HydrophobicContact CG1-CB 3.86Å; V293-F330 HydrophobicContact CG2-CD1 3.93Å; V293-F330 HydrophobicContact CG2-CE1 3.78Å; V293-F330 HydrophobicContact CG2-CG 4.48Å; V293-F330 HydrophobicContact CG2-CZ 4.19Å |
| 294 | S | 86.7 | Confident | 84 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 11% | 0.105 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -35.5 | 176.1 | -174.3 | 0 | 0 | 0 | 0 | 112.6 | H253 H290 S291 K298 | H253-S294 PolarHBondContact CE1-OG 3.25Å; H290-S294 VanDerWaalsContact O-CB 3.27Å; H290-S294 WeakPolarHBondContact O-CB 3.43Å; H290-S294 PolarHBondContact O-N 3.34Å; S291-S294 PolarHBondContact O-N 2.94Å; S294-K298 PolarHBondContact O-N 3.49Å |
| 295 | W | 87.7 | Confident | 83 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64 | -44 | 172.3 | -179.8 | 89.5 | 0 | 0 | 0 | 111.1 | L257 Y260 D261 S291 I292 V293 E297 K298 N299 E302 K305 F309 | L257-W295 HydrophobicContact CD2-CB 3.76Å; L257-W295 HydrophobicContact CD2-CG 4.31Å; Y260-W295 HydrophobicContact CD2-CB 4.1Å; Y260-W295 HydrophobicContact CD2-CG 4.2Å; D261-W295 PolarHBondContact OD1-NE1 2.92Å; S291-W295 WeakPolarHBondContact O-CB 3.41Å; S291-W295 PolarHBondContact O-N 3.49Å; I292-W295 PolarHBondContact O-N 3.4Å; V293-W295 VanDerWaalsContact C-N 3.33Å; V293-W295 PolarHBondContact O-N 2.92Å; W295-E297 PolarHBondContact O-N 3.15Å; W295-K298 PolarHBondContact O-N 2.88Å; W295-N299 HydrophobicContact CH2-CB 4.15Å; W295-N299 HydrophobicContact CZ2-CB 3.96Å; W295-N299 PolarHBondContact NE1-ND2 2.83Å; W295-N299 PolarHBondContact O-N 3.11Å; W295-N299 PolarHBondContact O-ND2 3.14Å; W295-E302 HydrophobicContact CH2-CB 4.05Å; W295-E302 HydrophobicContact CZ2-CB 4.49Å; W295-K305 HydrophobicContact CH2-CB 3.61Å; W295-K305 HydrophobicContact CH2-CD 4.31Å; W295-K305 HydrophobicContact CZ2-CB 3.99Å; W295-K305 HydrophobicContact CZ2-CD 3.83Å; W295-F309 AromaticContact CD2-CE2 3.63Å; W295-F309 HydrophobicContact CD2-CE2 3.63Å; W295-F309 HydrophobicContact CD2-CZ 4.25Å; W295-F309 AromaticContact CE2-CE2 3.9Å; W295-F309 AromaticContact CE3-CD2 3.86Å; W295-F309 HydrophobicContact CE3-CD2 3.86Å; W295-F309 AromaticContact CE3-CE2 3.38Å; W295-F309 HydrophobicContact CE3-CE2 3.38Å; W295-F309 HydrophobicContact CE3-CZ 4.39Å; W295-F309 HydrophobicContact CG-CE2 4.45Å; W295-F309 HydrophobicContact CH2-CD2 4.46Å; W295-F309 AromaticContact CH2-CE2 3.83Å; W295-F309 HydrophobicContact CH2-CE2 3.83Å; W295-F309 HydrophobicContact CZ2-CE2 4.02Å; W295-F309 AromaticContact CZ3-CD2 3.84Å; W295-F309 HydrophobicContact CZ3-CD2 3.84Å; W295-F309 AromaticContact CZ3-CE2 3.49Å; W295-F309 HydrophobicContact CZ3-CE2 3.49Å; W295-F309 VanDerWaalsContact CZ3-CE2 3.49Å |
| 296 | Y | 86.5 | Confident | 82.5 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 2% | 0.024 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 176.7 | 175.7 | -95.6 | 0 | 0 | 0 | 112.6 | I292 V293 K298 N299 P300 L306 F330 H333 | I292-Y296 PolarHBondContact O-N 3.28Å; V293-Y296 WeakPolarHBondContact O-CB 3.44Å; V293-Y296 PolarHBondContact O-N 3.36Å; Y296-K298 PolarHBondContact O-N 3.48Å; Y296-N299 CarbonylContact O-C 3.54Å; Y296-N299 PolarHBondContact O-N 3.41Å; Y296-N299 VanDerWaalsContact O-N 3.17Å; Y296-P300 WeakPolarHBondContact O-CD 3.38Å; Y296-P300 VanDerWaalsContact O-N 3.15Å; Y296-L306 HydrophobicContact CD2-CD1 4.11Å; Y296-L306 HydrophobicContact CD2-CD2 3.86Å; Y296-L306 HydrophobicContact CE2-CD2 3.68Å; Y296-F330 HydrophobicContact CD1-CB 3.59Å; Y296-F330 AromaticContact CD1-CD2 3.68Å; Y296-F330 HydrophobicContact CD1-CD2 3.68Å; Y296-F330 HydrophobicContact CD1-CG 4.09Å; Y296-F330 AromaticContact CD2-CD2 3.96Å; Y296-F330 HydrophobicContact CD2-CD2 3.96Å; Y296-F330 HydrophobicContact CE1-CB 3.68Å; Y296-F330 HydrophobicContact CE1-CD2 4.25Å; Y296-F330 HydrophobicContact CE1-CG 4.49Å; Y296-F330 HydrophobicContact CE2-CD2 4.5Å; Y296-F330 HydrophobicContact CG-CB 4.32Å; Y296-F330 AromaticContact CG-CD2 3.5Å; Y296-F330 HydrophobicContact CG-CD2 3.5Å; Y296-F330 HydrophobicContact CG-CE2 4.31Å; Y296-F330 HydrophobicContact CG-CG 4.36Å; Y296-H333 HydrophobicContact CE2-CB 4.41Å; Y296-H333 AromaticContact CE2-ND1 3.37Å; Y296-H333 WeakPolarHBondContact CE2-ND1 3.5Å; Y296-H333 AromaticContact CZ-ND1 3.59Å; Y296-H333 PolarHBondContact OH-ND1 2.92Å |
| 297 | E | 84.5 | Confident | 81.8 | Confident | 106 Ų | 106 | 44.3 Ų | 44.3 | 50% | 0.495 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.2 | -34.4 | 175.7 | -77.9 | 174.1 | -177.9 | 0 | 0 | 112.6 | V293 W295 H327 | V293-E297 WeakPolarHBondContact O-CG 3.29Å; V293-E297 PolarHBondContact O-N 2.95Å; W295-E297 PolarHBondContact O-N 3.15Å; E297-H327 WeakPolarHBondContact CG-NE2 3.27Å; E297-H327 IonicContact OE1-CD2 2.59Å; E297-H327 PolarHBondContact OE1-CD2 3.37Å; E297-H327 IonicContact OE1-CG 3.92Å; E297-H327 IonicContact OE1-NE2 2.65Å; E297-H327 PolarHBondContact OE1-NE2 3.43Å |
| 298 | K | 83.2 | Confident | 81.1 | Confident | 137 Ų | 137 | 48.3 Ų | 48.3 | 60% | 0.596 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -82.6 | -29.7 | 177.8 | -68.5 | 178.3 | -177.4 | 178 | 0 | 113.1 | S294 W295 Y296 P300 | S294-K298 PolarHBondContact O-N 3.49Å; W295-K298 PolarHBondContact O-N 2.88Å; Y296-K298 PolarHBondContact O-N 3.48Å; K298-P300 VanDerWaalsContact C-CD 3.42Å |
| 299 | N | 83 | Confident | 80.7 | Confident | 45 Ų | 45 | 48.3 Ų | 48.3 | 24% | 0.241 | 26% | 0.264 | C | S | . | . | trans | -127.9 | 53.6 | -171.9 | -57.1 | -59.3 | 0 | 0 | 0 | 113.4 | W295 Y296 S301 E302 | W295-N299 HydrophobicContact CH2-CB 4.15Å; W295-N299 HydrophobicContact CZ2-CB 3.96Å; W295-N299 PolarHBondContact NE1-ND2 2.83Å; W295-N299 PolarHBondContact O-N 3.11Å; W295-N299 PolarHBondContact O-ND2 3.14Å; Y296-N299 CarbonylContact O-C 3.54Å; Y296-N299 PolarHBondContact O-N 3.41Å; Y296-N299 VanDerWaalsContact O-N 3.17Å; N299-S301 PolarHBondContact O-N 3.11Å; N299-S301 VanDerWaalsContact O-N 3.15Å; N299-E302 HydrophobicContact CB-CB 4.47Å; N299-E302 HydrophobicContact CB-CG 4.38Å; N299-E302 PolarHBondContact O-N 3.31Å | ||
| 300 | P | 73.9 | Confident | 80.1 | Confident | 61 Ų | 61 | 48.1 Ų | 48.1 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -20.1 | -174.1 | 27.3 | -35.4 | 0 | 0 | 0 | 113.7 | Y296 K298 | Y296-P300 WeakPolarHBondContact O-CD 3.38Å; Y296-P300 VanDerWaalsContact O-N 3.15Å; K298-P300 VanDerWaalsContact C-CD 3.42Å |
| 301 | S | 70.5 | Confident | 79.3 | Confident | 103 Ų | 103 | 48.7 Ų | 48.7 | 72% | 0.72 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -10.7 | 179.7 | 51.7 | 0 | 0 | 0 | 0 | 114.6 | N299 S303 | N299-S301 PolarHBondContact O-N 3.11Å; N299-S301 VanDerWaalsContact O-N 3.15Å; S301-S303 VanDerWaalsContact C-N 3.32Å; S301-S303 PolarHBondContact O-N 3.1Å |
| 302 | E | 74 | Confident | 78.8 | Confident | 72 Ų | 72 | 48.8 Ų | 48.8 | 34% | 0.336 | 27% | 0.266 | S | S | . | . | trans | -90 | 57.6 | -177.7 | -67.4 | -163.2 | 169.4 | 0 | 0 | 112.7 | W295 N299 A304 K305 L306 | W295-E302 HydrophobicContact CH2-CB 4.05Å; W295-E302 HydrophobicContact CZ2-CB 4.49Å; N299-E302 HydrophobicContact CB-CB 4.47Å; N299-E302 HydrophobicContact CB-CG 4.38Å; N299-E302 PolarHBondContact O-N 3.31Å; E302-A304 PolarHBondContact O-N 3.39Å; E302-A304 VanDerWaalsContact O-N 3.08Å; E302-K305 PolarHBondContact O-N 3.01Å; E302-K305 VanDerWaalsContact O-N 3.11Å; E302-K305 IonicContact OE1-NZ 3.47Å; E302-K305 WeakPolarHBondContact OE2-CD 3.45Å; E302-K305 VanDerWaalsContact OE2-CE 3.24Å; E302-K305 WeakPolarHBondContact OE2-CE 3.22Å; E302-K305 IonicContact OE2-NZ 3.01Å; E302-K305 PolarHBondContact OE2-NZ 3.25Å; E302-L306 PolarHBondContact O-N 3.17Å | ||
| 303 | S | 68.6 | Low | 78.4 | Confident | 18 Ų | 18 | 48.8 Ų | 48.8 | 13% | 0.126 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -52.9 | -35 | -176.2 | -32.9 | 0 | 0 | 0 | 0 | 113.3 | S301 L306 C307 | S301-S303 VanDerWaalsContact C-N 3.32Å; S301-S303 PolarHBondContact O-N 3.1Å; S303-L306 WeakPolarHBondContact O-CB 3.48Å; S303-L306 PolarHBondContact O-N 3.31Å; S303-C307 PolarHBondContact O-N 3.29Å |
| 304 | A | 67.2 | Low | 77.9 | Confident | 81 Ų | 81 | 51.7 Ų | 51.7 | 67% | 0.669 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -65.1 | -40.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E302 C307 | E302-A304 PolarHBondContact O-N 3.39Å; E302-A304 VanDerWaalsContact O-N 3.08Å; A304-C307 WeakPolarHBondContact O-CB 3.45Å; A304-C307 PolarHBondContact O-N 3.37Å |
| 305 | K | 69.8 | Low | 77.2 | Confident | 71 Ų | 71 | 57 Ų | 57 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.3 | -31.7 | 175.3 | -75.9 | -166.1 | -161 | 148.8 | 0 | 111.5 | D261 W295 E302 C307 H308 F309 | D261-K305 IonicContact OD1-NZ 3.7Å; W295-K305 HydrophobicContact CH2-CB 3.61Å; W295-K305 HydrophobicContact CH2-CD 4.31Å; W295-K305 HydrophobicContact CZ2-CB 3.99Å; W295-K305 HydrophobicContact CZ2-CD 3.83Å; E302-K305 PolarHBondContact O-N 3.01Å; E302-K305 VanDerWaalsContact O-N 3.11Å; E302-K305 IonicContact OE1-NZ 3.47Å; E302-K305 WeakPolarHBondContact OE2-CD 3.45Å; E302-K305 VanDerWaalsContact OE2-CE 3.24Å; E302-K305 WeakPolarHBondContact OE2-CE 3.22Å; E302-K305 IonicContact OE2-NZ 3.01Å; E302-K305 PolarHBondContact OE2-NZ 3.25Å; K305-C307 VanDerWaalsContact C-N 3.27Å; K305-C307 PolarHBondContact O-N 3.37Å; K305-H308 WeakPolarHBondContact O-CB 3.41Å; K305-H308 PolarHBondContact O-N 3.16Å; K305-F309 WeakPolarHBondContact O-CD2 3.19Å; K305-F309 PolarHBondContact O-N 3.34Å |
| 306 | L | 78.1 | Confident | 76.6 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.5 | -38.2 | 172.9 | -173.5 | 62.2 | 0 | 0 | 0 | 111.8 | Y296 E302 S303 H308 F309 I310 F330 H333 L337 | Y296-L306 HydrophobicContact CD2-CD1 4.11Å; Y296-L306 HydrophobicContact CD2-CD2 3.86Å; Y296-L306 HydrophobicContact CE2-CD2 3.68Å; E302-L306 PolarHBondContact O-N 3.17Å; S303-L306 WeakPolarHBondContact O-CB 3.48Å; S303-L306 PolarHBondContact O-N 3.31Å; L306-H308 VanDerWaalsContact C-N 3.3Å; L306-H308 PolarHBondContact O-N 3.31Å; L306-F309 PolarHBondContact O-N 3.38Å; L306-I310 HydrophobicContact CG-CD1 4.32Å; L306-I310 VanDerWaalsContact O-CG1 3.28Å; L306-I310 WeakPolarHBondContact O-CG1 3.45Å; L306-I310 PolarHBondContact O-N 3.1Å; L306-F330 HydrophobicContact CD1-CE2 3.96Å; L306-H333 HydrophobicContact CD2-CB 4.44Å; L306-L337 HydrophobicContact CB-CD1 4.21Å; L306-L337 HydrophobicContact CD2-CD1 3.54Å; L306-L337 HydrophobicContact CG-CD1 3.8Å |
| 307 | C | 74.7 | Confident | 76.2 | Confident | 48 Ų | 48 | 68.5 Ų | 68.5 | 32% | 0.324 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.7 | -38.3 | 172.6 | -67.8 | 0 | 0 | 0 | 0 | 112.9 | S303 A304 K305 I310 E311 | S303-C307 PolarHBondContact O-N 3.29Å; A304-C307 WeakPolarHBondContact O-CB 3.45Å; A304-C307 PolarHBondContact O-N 3.37Å; K305-C307 VanDerWaalsContact C-N 3.27Å; K305-C307 PolarHBondContact O-N 3.37Å; C307-I310 WeakPolarHBondContact O-CB 3.46Å; C307-I310 PolarHBondContact O-N 3.3Å; C307-I310 VanDerWaalsContact O-N 3.17Å; C307-E311 PolarHBondContact O-N 2.78Å |
| 308 | H | 75.9 | Confident | 76.1 | Confident | 99 Ų | 99 | 63.7 Ų | 63.7 | 46% | 0.458 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 174.6 | -110.9 | 80 | 0 | 0 | 0 | 112.1 | K305 L306 I310 E311 M312 | K305-H308 WeakPolarHBondContact O-CB 3.41Å; K305-H308 PolarHBondContact O-N 3.16Å; L306-H308 VanDerWaalsContact C-N 3.3Å; L306-H308 PolarHBondContact O-N 3.31Å; H308-I310 VanDerWaalsContact C-N 3.26Å; H308-I310 PolarHBondContact O-N 2.89Å; H308-E311 PolarHBondContact O-N 3.15Å; H308-M312 PolarHBondContact O-N 3.04Å; H308-M312 VanDerWaalsContact O-N 3.16Å |
| 309 | F | 82.4 | Confident | 76.1 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.1 | -33.2 | 172.9 | -65.6 | -51.5 | 0 | 0 | 0 | 112.2 | Y260 L265 I292 W295 K305 L306 M312 I313 | Y260-F309 AromaticContact CD1-CE1 3.45Å; Y260-F309 HydrophobicContact CD1-CE1 3.45Å; Y260-F309 VanDerWaalsContact CD1-CE1 3.45Å; Y260-F309 AromaticContact CD1-CZ 3.89Å; Y260-F309 HydrophobicContact CD1-CZ 3.89Å; Y260-F309 HydrophobicContact CD2-CE1 4.27Å; Y260-F309 HydrophobicContact CD2-CZ 4.16Å; Y260-F309 AromaticContact CE1-CE1 3.87Å; Y260-F309 HydrophobicContact CE1-CE1 3.87Å; Y260-F309 AromaticContact CG-CE1 3.67Å; Y260-F309 HydrophobicContact CG-CE1 3.67Å; Y260-F309 AromaticContact CG-CZ 3.62Å; Y260-F309 HydrophobicContact CG-CZ 3.62Å; L265-F309 HydrophobicContact CD1-CD1 3.94Å; L265-F309 HydrophobicContact CD1-CE1 3.73Å; L265-F309 HydrophobicContact CD2-CE1 4.09Å; I292-F309 HydrophobicContact CG2-CB 4.3Å; I292-F309 HydrophobicContact CG2-CG 4.29Å; W295-F309 AromaticContact CD2-CE2 3.63Å; W295-F309 HydrophobicContact CD2-CE2 3.63Å; W295-F309 HydrophobicContact CD2-CZ 4.25Å; W295-F309 AromaticContact CE2-CE2 3.9Å; W295-F309 AromaticContact CE3-CD2 3.86Å; W295-F309 HydrophobicContact CE3-CD2 3.86Å; W295-F309 AromaticContact CE3-CE2 3.38Å; W295-F309 HydrophobicContact CE3-CE2 3.38Å; W295-F309 HydrophobicContact CE3-CZ 4.39Å; W295-F309 HydrophobicContact CG-CE2 4.45Å; W295-F309 HydrophobicContact CH2-CD2 4.46Å; W295-F309 AromaticContact CH2-CE2 3.83Å; W295-F309 HydrophobicContact CH2-CE2 3.83Å; W295-F309 HydrophobicContact CZ2-CE2 4.02Å; W295-F309 AromaticContact CZ3-CD2 3.84Å; W295-F309 HydrophobicContact CZ3-CD2 3.84Å; W295-F309 AromaticContact CZ3-CE2 3.49Å; W295-F309 HydrophobicContact CZ3-CE2 3.49Å; W295-F309 VanDerWaalsContact CZ3-CE2 3.49Å; K305-F309 WeakPolarHBondContact O-CD2 3.19Å; K305-F309 PolarHBondContact O-N 3.34Å; L306-F309 PolarHBondContact O-N 3.38Å; F309-M312 HydrophobicContact CD1-CE 3.94Å; F309-M312 WeakPolarHBondContact O-CB 3.45Å; F309-M312 PolarHBondContact O-N 2.83Å; F309-I313 WeakPolarHBondContact O-CB 3.26Å; F309-I313 WeakPolarHBondContact O-CG1 3.42Å; F309-I313 PolarHBondContact O-N 2.82Å |
| 310 | I | 77.8 | Confident | 76 | Confident | 15 Ų | 15 | 63.4 Ų | 63.4 | 8% | 0.077 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65 | -45.3 | 176.8 | -72.3 | 171.9 | 0 | 0 | 0 | 111.3 | L306 C307 H308 M312 I313 M314 L334 L337 T338 | L306-I310 HydrophobicContact CG-CD1 4.32Å; L306-I310 VanDerWaalsContact O-CG1 3.28Å; L306-I310 WeakPolarHBondContact O-CG1 3.45Å; L306-I310 PolarHBondContact O-N 3.1Å; C307-I310 WeakPolarHBondContact O-CB 3.46Å; C307-I310 PolarHBondContact O-N 3.3Å; C307-I310 VanDerWaalsContact O-N 3.17Å; H308-I310 VanDerWaalsContact C-N 3.26Å; H308-I310 PolarHBondContact O-N 2.89Å; I310-M312 PolarHBondContact O-N 2.77Å; I310-I313 PolarHBondContact O-N 3.15Å; I310-I313 VanDerWaalsContact O-N 3.16Å; I310-M314 HydrophobicContact CG2-CG 4.19Å; I310-M314 WeakPolarHBondContact O-CB 3.47Å; I310-M314 VanDerWaalsContact O-CG 3.25Å; I310-M314 WeakPolarHBondContact O-CG 3.47Å; I310-M314 PolarHBondContact O-N 3.36Å; I310-L334 HydrophobicContact CD1-CD1 3.81Å; I310-L334 HydrophobicContact CG1-CD1 3.47Å; I310-L334 VanDerWaalsContact CG1-CD1 3.47Å; I310-L337 HydrophobicContact CD1-CB 3.29Å; I310-L337 HydrophobicContact CD1-CD1 3.58Å; I310-L337 HydrophobicContact CD1-CG 4.09Å; I310-T338 HydrophobicContact CB-CG2 4.47Å; I310-T338 HydrophobicContact CD1-CG2 4.27Å; I310-T338 HydrophobicContact CG1-CG2 4.39Å; I310-T338 HydrophobicContact CG2-CG2 3.32Å |
| 311 | E | 72.1 | Confident | 76.4 | Confident | 127 Ų | 127 | 62.7 Ų | 62.7 | 59% | 0.593 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -56.9 | -43.3 | 174 | -70.7 | -176.9 | -175.7 | 0 | 0 | 111 | C307 H308 M314 H315 | C307-E311 PolarHBondContact O-N 2.78Å; H308-E311 PolarHBondContact O-N 3.15Å; E311-M314 PolarHBondContact O-N 3.27Å; E311-H315 VanDerWaalsContact O-CB 3.24Å; E311-H315 WeakPolarHBondContact O-CB 3.24Å; E311-H315 PolarHBondContact O-N 3.39Å |
| 312 | M | 79.4 | Confident | 77.3 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -48.1 | 174.3 | -177.1 | 179 | 75.8 | 0 | 0 | 112.3 | L267 F270 I292 H308 F309 I310 M314 H315 F316 | L267-M312 HydrophobicContact CD2-CB 3.87Å; L267-M312 HydrophobicContact CD2-CG 3.58Å; L267-M312 HydrophobicContact CD2-SD 4.16Å; F270-M312 HydrophobicContact CB-SD 4.25Å; F270-M312 HydrophobicContact CD1-SD 4.47Å; F270-M312 HydrophobicContact CD2-SD 3.78Å; F270-M312 HydrophobicContact CE2-SD 4.21Å; F270-M312 HydrophobicContact CG-SD 3.93Å; I292-M312 HydrophobicContact CD1-CE 3.33Å; I292-M312 HydrophobicContact CG1-CE 4.34Å; H308-M312 PolarHBondContact O-N 3.04Å; H308-M312 VanDerWaalsContact O-N 3.16Å; F309-M312 HydrophobicContact CD1-CE 3.94Å; F309-M312 WeakPolarHBondContact O-CB 3.45Å; F309-M312 PolarHBondContact O-N 2.83Å; I310-M312 PolarHBondContact O-N 2.77Å; M312-M314 VanDerWaalsContact C-N 3.34Å; M312-M314 PolarHBondContact O-N 2.96Å; M312-H315 PolarHBondContact O-N 2.9Å; M312-F316 HydrophobicContact CB-CZ 4.46Å; M312-F316 HydrophobicContact CE-CE2 4.14Å; M312-F316 HydrophobicContact CG-CD2 4.14Å; M312-F316 HydrophobicContact CG-CE1 3.9Å; M312-F316 HydrophobicContact CG-CE2 3.27Å; M312-F316 HydrophobicContact CG-CZ 3.09Å; M312-F316 WeakPolarHBondContact O-CD1 3.45Å; M312-F316 WeakPolarHBondContact O-CD2 3.15Å; M312-F316 WeakPolarHBondContact O-CG 3.34Å; M312-F316 PolarHBondContact O-N 3.31Å; M312-F316 HydrophobicContact SD-CE2 3.81Å; M312-F316 HydrophobicContact SD-CZ 3.71Å |
| 313 | I | 81.8 | Confident | 77.8 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 178.3 | -70.6 | 165.7 | 0 | 0 | 0 | 111 | F309 I310 F316 R317 A318 L319 F322 L334 | F309-I313 WeakPolarHBondContact O-CB 3.26Å; F309-I313 WeakPolarHBondContact O-CG1 3.42Å; F309-I313 PolarHBondContact O-N 2.82Å; I310-I313 PolarHBondContact O-N 3.15Å; I310-I313 VanDerWaalsContact O-N 3.16Å; I313-F316 PolarHBondContact O-N 3.12Å; I313-R317 PolarHBondContact O-N 3.07Å; I313-A318 HydrophobicContact CG2-CB 4.22Å; I313-A318 PolarHBondContact O-N 3.28Å; I313-L319 HydrophobicContact CG2-CB 4.27Å; I313-L319 HydrophobicContact CG2-CD1 4.39Å; I313-F322 HydrophobicContact CB-CD2 4.42Å; I313-F322 HydrophobicContact CB-CE2 4.43Å; I313-F322 HydrophobicContact CD1-CD1 3.86Å; I313-F322 HydrophobicContact CD1-CD2 3.97Å; I313-F322 HydrophobicContact CD1-CE1 3.9Å; I313-F322 HydrophobicContact CD1-CE2 4.04Å; I313-F322 HydrophobicContact CD1-CG 3.89Å; I313-F322 HydrophobicContact CD1-CZ 4.01Å; I313-F322 HydrophobicContact CG1-CD2 3.86Å; I313-F322 HydrophobicContact CG1-CE1 4.27Å; I313-F322 HydrophobicContact CG1-CE2 3.62Å; I313-F322 HydrophobicContact CG1-CG 4.32Å; I313-F322 HydrophobicContact CG1-CZ 3.84Å; I313-F322 HydrophobicContact CG2-CD2 3.69Å; I313-F322 HydrophobicContact CG2-CE2 4.12Å; I313-F322 HydrophobicContact CG2-CG 4.34Å; I313-L334 HydrophobicContact CD1-CD1 4.39Å |
| 314 | M | 78.2 | Confident | 78.5 | Confident | 70 Ų | 70 | 59.4 Ų | 59.4 | 35% | 0.345 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.3 | -42 | 177.5 | -70.6 | -61.2 | -73.4 | 0 | 0 | 111.1 | I310 E311 M312 F316 R317 L319 T342 | I310-M314 HydrophobicContact CG2-CG 4.19Å; I310-M314 WeakPolarHBondContact O-CB 3.47Å; I310-M314 VanDerWaalsContact O-CG 3.25Å; I310-M314 WeakPolarHBondContact O-CG 3.47Å; I310-M314 PolarHBondContact O-N 3.36Å; E311-M314 PolarHBondContact O-N 3.27Å; M312-M314 VanDerWaalsContact C-N 3.34Å; M312-M314 PolarHBondContact O-N 2.96Å; M314-F316 PolarHBondContact O-N 3.29Å; M314-R317 PolarHBondContact O-N 3.4Å; M314-L319 HydrophobicContact SD-CB 4.26Å; M314-L319 HydrophobicContact SD-CD1 4.48Å; M314-L319 HydrophobicContact SD-CD2 4.16Å; M314-T342 HydrophobicContact CE-CG2 4.12Å; M314-T342 HydrophobicContact SD-CG2 4.26Å |
| 315 | H | 73.2 | Confident | 79.5 | Confident | 126 Ų | 126 | 56.6 Ų | 56.6 | 58% | 0.583 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.4 | -33.7 | 175.9 | -168.2 | -92.6 | 0 | 0 | 0 | 112.1 | E311 M312 R317 | E311-H315 VanDerWaalsContact O-CB 3.24Å; E311-H315 WeakPolarHBondContact O-CB 3.24Å; E311-H315 PolarHBondContact O-N 3.39Å; M312-H315 PolarHBondContact O-N 2.9Å; H315-R317 VanDerWaalsContact C-N 3.31Å |
| 316 | F | 75.1 | Confident | 80.1 | Confident | 18 Ų | 18 | 58.6 Ų | 58.6 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -12 | 174.4 | -58 | -16 | 0 | 0 | 0 | 114 | F270 V271 W274 M312 I313 M314 A318 | F270-F316 HydrophobicContact CB-CE1 4.26Å; F270-F316 HydrophobicContact CB-CE2 4.02Å; F270-F316 HydrophobicContact CB-CZ 3.37Å; F270-F316 HydrophobicContact CG-CZ 4.4Å; V271-F316 HydrophobicContact CB-CE1 4.38Å; V271-F316 HydrophobicContact CG2-CD1 3.93Å; V271-F316 HydrophobicContact CG2-CE1 3.45Å; V271-F316 VanDerWaalsContact CG2-CE1 3.45Å; V271-F316 HydrophobicContact CG2-CZ 4.5Å; W274-F316 HydrophobicContact CD2-CB 4.42Å; W274-F316 HydrophobicContact CD2-CD2 4.19Å; W274-F316 HydrophobicContact CE3-CD2 4.33Å; W274-F316 HydrophobicContact CG-CB 4.27Å; W274-F316 HydrophobicContact CG-CD2 4.27Å; W274-F316 HydrophobicContact CG-CG 4.27Å; M312-F316 HydrophobicContact CB-CZ 4.46Å; M312-F316 HydrophobicContact CE-CE2 4.14Å; M312-F316 HydrophobicContact CG-CD2 4.14Å; M312-F316 HydrophobicContact CG-CE1 3.9Å; M312-F316 HydrophobicContact CG-CE2 3.27Å; M312-F316 HydrophobicContact CG-CZ 3.09Å; M312-F316 WeakPolarHBondContact O-CD1 3.45Å; M312-F316 WeakPolarHBondContact O-CD2 3.15Å; M312-F316 WeakPolarHBondContact O-CG 3.34Å; M312-F316 PolarHBondContact O-N 3.31Å; M312-F316 HydrophobicContact SD-CE2 3.81Å; M312-F316 HydrophobicContact SD-CZ 3.71Å; I313-F316 PolarHBondContact O-N 3.12Å; M314-F316 PolarHBondContact O-N 3.29Å; F316-A318 HydrophobicContact CB-CB 3.8Å; F316-A318 PolarHBondContact O-N 2.83Å |
| 317 | R | 76 | Confident | 80.5 | Confident | 233 Ų | 233 | 60.8 Ų | 60.8 | 88% | 0.879 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 39.8 | -164.1 | -56.9 | -176.8 | 176.8 | -175.1 | -3.9 | 111.8 | I313 M314 H315 | I313-R317 PolarHBondContact O-N 3.07Å; M314-R317 PolarHBondContact O-N 3.4Å; H315-R317 VanDerWaalsContact C-N 3.31Å |
| 318 | A | 82.5 | Confident | 81.2 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.033 | 30% | 0.301 | C | S | . | . | trans | -96.1 | -3.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | W274 I313 F316 Q320 A321 F322 | W274-A318 HydrophobicContact CH2-CB 3.69Å; W274-A318 HydrophobicContact CZ2-CB 3.26Å; W274-A318 HydrophobicContact CZ3-CB 4.49Å; I313-A318 HydrophobicContact CG2-CB 4.22Å; I313-A318 PolarHBondContact O-N 3.28Å; F316-A318 HydrophobicContact CB-CB 3.8Å; F316-A318 PolarHBondContact O-N 2.83Å; A318-Q320 PolarHBondContact O-N 3.47Å; A318-A321 WeakPolarHBondContact O-CA 3.21Å; A318-A321 VanDerWaalsContact O-CB 3.3Å; A318-A321 WeakPolarHBondContact O-CB 3.32Å; A318-A321 PolarHBondContact O-N 3.43Å; A318-F322 HydrophobicContact CB-CD2 4.09Å; A318-F322 HydrophobicContact CB-CE2 3.86Å; A318-F322 WeakPolarHBondContact O-CD2 3.44Å; A318-F322 PolarHBondContact O-N 3.46Å | ||
| 319 | L | 83.4 | Confident | 81.7 | Confident | 29 Ų | 29 | 59.2 Ų | 59.2 | 15% | 0.152 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -46.4 | -46.1 | -171.5 | -176.3 | 68.8 | 0 | 0 | 0 | 113.1 | I313 M314 A321 F322 L323 L334 T338 T342 | I313-L319 HydrophobicContact CG2-CB 4.27Å; I313-L319 HydrophobicContact CG2-CD1 4.39Å; M314-L319 HydrophobicContact SD-CB 4.26Å; M314-L319 HydrophobicContact SD-CD1 4.48Å; M314-L319 HydrophobicContact SD-CD2 4.16Å; L319-A321 VanDerWaalsContact C-N 3.29Å; L319-A321 PolarHBondContact O-N 2.7Å; L319-F322 PolarHBondContact O-N 2.76Å; L319-L323 HydrophobicContact CD1-CG 4.38Å; L319-L323 HydrophobicContact CD2-CD1 4.29Å; L319-L323 HydrophobicContact CG-CD1 3.96Å; L319-L323 HydrophobicContact CG-CG 4.13Å; L319-L323 WeakPolarHBondContact O-CG 3.41Å; L319-L323 PolarHBondContact O-N 2.89Å; L319-L334 HydrophobicContact CD1-CD1 4.28Å; L319-L334 HydrophobicContact CD1-CD2 4.04Å; L319-L334 HydrophobicContact CD1-CG 4.1Å; L319-T338 HydrophobicContact CD1-CG2 4.23Å; L319-T342 HydrophobicContact CD2-CG2 3.33Å |
| 320 | Q | 82.3 | Confident | 82 | Confident | 147 Ų | 147 | 59.1 Ų | 59.1 | 69% | 0.687 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -66.5 | -27.7 | -178 | -162.5 | 150.8 | 9.7 | 0 | 0 | 114 | A318 N324 | A318-Q320 PolarHBondContact O-N 3.47Å; Q320-N324 PolarHBondContact O-N 3.06Å; Q320-N324 PolarHBondContact O-ND2 3.39Å; Q320-N324 VanDerWaalsContact O-ND2 3.11Å |
| 321 | A | 82.1 | Confident | 82.6 | Confident | 46 Ų | 46 | 58.5 Ų | 58.5 | 38% | 0.38 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | W274 V289 A318 L319 N324 | W274-A321 HydrophobicContact CH2-CB 4.36Å; V289-A321 HydrophobicContact CG2-CB 4.43Å; A318-A321 WeakPolarHBondContact O-CA 3.21Å; A318-A321 VanDerWaalsContact O-CB 3.3Å; A318-A321 WeakPolarHBondContact O-CB 3.32Å; A318-A321 PolarHBondContact O-N 3.43Å; L319-A321 VanDerWaalsContact C-N 3.29Å; L319-A321 PolarHBondContact O-N 2.7Å; A321-N324 PolarHBondContact O-N 3.01Å |
| 322 | F | 88.4 | Confident | 83.3 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.5 | -35.9 | 177.4 | -72.7 | -90.9 | 0 | 0 | 0 | 112.8 | W274 V289 I292 I313 A318 L319 N324 V325 F330 L334 | W274-F322 HydrophobicContact CH2-CE2 4.26Å; V289-F322 HydrophobicContact CB-CE1 4.21Å; V289-F322 HydrophobicContact CB-CZ 4.24Å; V289-F322 HydrophobicContact CG1-CD1 4.26Å; V289-F322 HydrophobicContact CG1-CE1 4.19Å; V289-F322 HydrophobicContact CG2-CD2 4.36Å; V289-F322 HydrophobicContact CG2-CE1 4.09Å; V289-F322 HydrophobicContact CG2-CE2 3.85Å; V289-F322 HydrophobicContact CG2-CZ 3.7Å; I292-F322 HydrophobicContact CB-CE1 4.05Å; I292-F322 HydrophobicContact CD1-CE1 3.93Å; I292-F322 HydrophobicContact CD1-CZ 3.78Å; I292-F322 HydrophobicContact CG2-CE1 4.17Å; I313-F322 HydrophobicContact CB-CD2 4.42Å; I313-F322 HydrophobicContact CB-CE2 4.43Å; I313-F322 HydrophobicContact CD1-CD1 3.86Å; I313-F322 HydrophobicContact CD1-CD2 3.97Å; I313-F322 HydrophobicContact CD1-CE1 3.9Å; I313-F322 HydrophobicContact CD1-CE2 4.04Å; I313-F322 HydrophobicContact CD1-CG 3.89Å; I313-F322 HydrophobicContact CD1-CZ 4.01Å; I313-F322 HydrophobicContact CG1-CD2 3.86Å; I313-F322 HydrophobicContact CG1-CE1 4.27Å; I313-F322 HydrophobicContact CG1-CE2 3.62Å; I313-F322 HydrophobicContact CG1-CG 4.32Å; I313-F322 HydrophobicContact CG1-CZ 3.84Å; I313-F322 HydrophobicContact CG2-CD2 3.69Å; I313-F322 HydrophobicContact CG2-CE2 4.12Å; I313-F322 HydrophobicContact CG2-CG 4.34Å; A318-F322 HydrophobicContact CB-CD2 4.09Å; A318-F322 HydrophobicContact CB-CE2 3.86Å; A318-F322 WeakPolarHBondContact O-CD2 3.44Å; A318-F322 PolarHBondContact O-N 3.46Å; L319-F322 PolarHBondContact O-N 2.76Å; F322-N324 PolarHBondContact O-N 3.42Å; F322-V325 WeakPolarHBondContact O-CB 3.39Å; F322-V325 WeakPolarHBondContact O-CG2 3.43Å; F322-V325 PolarHBondContact O-N 3.06Å; F322-V325 VanDerWaalsContact O-N 3.16Å; F322-F330 HydrophobicContact CB-CE1 4.26Å; F322-F330 AromaticContact CD1-CE1 3.87Å; F322-F330 HydrophobicContact CD1-CE1 3.87Å; F322-F330 AromaticContact CD1-CZ 3.83Å; F322-F330 HydrophobicContact CD1-CZ 3.83Å; F322-L334 HydrophobicContact CB-CD2 3.56Å |
| 323 | L | 85.1 | Confident | 83.7 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.3 | -15.8 | 175.8 | -66.5 | 179 | 0 | 0 | 0 | 114 | L319 V331 L334 V335 M344 W349 K353 | L319-L323 HydrophobicContact CD1-CG 4.38Å; L319-L323 HydrophobicContact CD2-CD1 4.29Å; L319-L323 HydrophobicContact CG-CD1 3.96Å; L319-L323 HydrophobicContact CG-CG 4.13Å; L319-L323 WeakPolarHBondContact O-CG 3.41Å; L319-L323 PolarHBondContact O-N 2.89Å; L323-V331 HydrophobicContact CD2-CG1 3.94Å; L323-L334 HydrophobicContact CD2-CD2 4.26Å; L323-V335 HydrophobicContact CD2-CG2 3.31Å; L323-M344 HydrophobicContact CD1-SD 4.3Å; L323-W349 HydrophobicContact CD2-CZ2 4.38Å; L323-K353 PolarHBondContact O-NZ 3.37Å |
| 324 | N | 83.9 | Confident | 84 | Confident | 107 Ų | 107 | 52.3 Ų | 52.3 | 57% | 0.572 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 0.2 | 177.8 | -71.4 | -24.8 | 0 | 0 | 0 | 113.4 | Q320 A321 F322 | Q320-N324 PolarHBondContact O-N 3.06Å; Q320-N324 PolarHBondContact O-ND2 3.39Å; Q320-N324 VanDerWaalsContact O-ND2 3.11Å; A321-N324 PolarHBondContact O-N 3.01Å; F322-N324 PolarHBondContact O-N 3.42Å |
| 325 | V | 86.5 | Confident | 84.3 | Confident | 23 Ų | 23 | 49 Ų | 49 | 14% | 0.139 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -69.6 | 134.6 | 176.2 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | V289 V293 F322 H327 V331 | V289-V325 HydrophobicContact CG1-CG2 3.36Å; V293-V325 HydrophobicContact CG1-CG1 4.06Å; V293-V325 HydrophobicContact CG2-CB 4.44Å; V293-V325 HydrophobicContact CG2-CG1 3.78Å; V293-V325 HydrophobicContact CG2-CG2 4.17Å; F322-V325 WeakPolarHBondContact O-CB 3.39Å; F322-V325 WeakPolarHBondContact O-CG2 3.43Å; F322-V325 PolarHBondContact O-N 3.06Å; F322-V325 VanDerWaalsContact O-N 3.16Å; V325-H327 HydrophobicContact CG1-CB 3.93Å; V325-H327 PolarHBondContact O-N 3.4Å; V325-V331 HydrophobicContact CB-CG2 4.41Å; V325-V331 VanDerWaalsContact O-CG2 3.32Å; V325-V331 WeakPolarHBondContact O-CG2 3.47Å |
| 326 | P | 83.2 | Confident | 84.7 | Confident | 113 Ų | 113 | 43.1 Ų | 43.1 | 73% | 0.734 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -76.5 | 29.6 | -179.4 | 33.8 | -37.1 | 0 | 0 | 0 | 113.7 | ||
| 327 | H | 87.1 | Confident | 84.9 | Confident | 48 Ų | 48 | 44 Ų | 44 | 22% | 0.222 | 22% | 0.222 | C | C | . | . | trans | -109.4 | 83.9 | 176.4 | -168.3 | -79.8 | 0 | 0 | 0 | 109.6 | V293 E297 V325 T329 F330 V331 | V293-H327 HydrophobicContact CG1-CB 3.86Å; E297-H327 WeakPolarHBondContact CG-NE2 3.27Å; E297-H327 IonicContact OE1-CD2 2.59Å; E297-H327 PolarHBondContact OE1-CD2 3.37Å; E297-H327 IonicContact OE1-CG 3.92Å; E297-H327 IonicContact OE1-NE2 2.65Å; E297-H327 PolarHBondContact OE1-NE2 3.43Å; V325-H327 HydrophobicContact CG1-CB 3.93Å; V325-H327 PolarHBondContact O-N 3.4Å; H327-T329 PolarHBondContact O-N 3.15Å; H327-F330 HydrophobicContact CB-CB 4.26Å; H327-F330 WeakPolarHBondContact ND1-CB 3.29Å; H327-F330 PolarHBondContact ND1-N 3.3Å; H327-F330 WeakPolarHBondContact O-CB 3.4Å; H327-F330 PolarHBondContact O-N 3.44Å; H327-F330 VanDerWaalsContact O-N 3.09Å; H327-V331 WeakPolarHBondContact O-CG2 3.32Å; H327-V331 PolarHBondContact O-N 3.35Å; H327-V331 VanDerWaalsContact O-N 3.1Å | ||
| 328 | Y | 88.5 | Confident | 84.9 | Confident | 69 Ų | 69 | 32.9 Ų | 32.9 | 27% | 0.271 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -56.9 | -42.9 | -165 | -54.8 | -34.9 | 0 | 0 | 0 | 114 | F330 V331 I332 C357 N360 F361 | Y328-F330 VanDerWaalsContact C-N 3.33Å; Y328-F330 PolarHBondContact O-N 2.95Å; Y328-V331 PolarHBondContact O-N 3.26Å; Y328-I332 WeakPolarHBondContact O-CB 3.36Å; Y328-I332 VanDerWaalsContact O-CD1 3.27Å; Y328-I332 WeakPolarHBondContact O-CD1 3.31Å; Y328-I332 WeakPolarHBondContact O-CG1 3.46Å; Y328-I332 PolarHBondContact O-N 2.93Å; Y328-C357 HydrophobicContact CE1-CB 4.22Å; Y328-N360 HydrophobicContact CE2-CB 4.01Å; Y328-F361 AromaticContact CD1-CD2 3.64Å; Y328-F361 HydrophobicContact CD1-CD2 3.64Å; Y328-F361 HydrophobicContact CD1-CE2 4.33Å; Y328-F361 HydrophobicContact CD2-CB 4.34Å; Y328-F361 HydrophobicContact CD2-CD2 4.38Å; Y328-F361 HydrophobicContact CE1-CD2 4.31Å; Y328-F361 HydrophobicContact CG-CB 4.45Å; Y328-F361 AromaticContact CG-CD2 3.67Å; Y328-F361 HydrophobicContact CG-CD2 3.67Å; Y328-F361 HydrophobicContact CG-CE2 4.49Å |
| 329 | T | 87.3 | Confident | 84.6 | Confident | 45 Ų | 45 | 34.6 Ų | 34.6 | 28% | 0.276 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.5 | -40.3 | 179.1 | -46.3 | 0 | 0 | 0 | 0 | 112.3 | H327 H333 F368 | H327-T329 PolarHBondContact O-N 3.15Å; T329-H333 WeakPolarHBondContact O-CB 3.35Å; T329-H333 PolarHBondContact O-N 3.14Å; T329-F368 HydrophobicContact CG2-CD2 4.18Å |
| 330 | F | 88.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.4 | -46.9 | 176.6 | 167.7 | -102.1 | 0 | 0 | 0 | 110.8 | I292 V293 Y296 L306 F322 H327 Y328 I332 H333 L334 | I292-F330 HydrophobicContact CG2-CE2 4.35Å; I292-F330 HydrophobicContact CG2-CZ 4.32Å; V293-F330 HydrophobicContact CG2-CD1 3.93Å; V293-F330 HydrophobicContact CG2-CE1 3.78Å; V293-F330 HydrophobicContact CG2-CG 4.48Å; V293-F330 HydrophobicContact CG2-CZ 4.19Å; Y296-F330 HydrophobicContact CD1-CB 3.59Å; Y296-F330 AromaticContact CD1-CD2 3.68Å; Y296-F330 HydrophobicContact CD1-CD2 3.68Å; Y296-F330 HydrophobicContact CD1-CG 4.09Å; Y296-F330 AromaticContact CD2-CD2 3.96Å; Y296-F330 HydrophobicContact CD2-CD2 3.96Å; Y296-F330 HydrophobicContact CE1-CB 3.68Å; Y296-F330 HydrophobicContact CE1-CD2 4.25Å; Y296-F330 HydrophobicContact CE1-CG 4.49Å; Y296-F330 HydrophobicContact CE2-CD2 4.5Å; Y296-F330 HydrophobicContact CG-CB 4.32Å; Y296-F330 AromaticContact CG-CD2 3.5Å; Y296-F330 HydrophobicContact CG-CD2 3.5Å; Y296-F330 HydrophobicContact CG-CE2 4.31Å; Y296-F330 HydrophobicContact CG-CG 4.36Å; L306-F330 HydrophobicContact CD1-CE2 3.96Å; F322-F330 HydrophobicContact CB-CE1 4.26Å; F322-F330 AromaticContact CD1-CE1 3.87Å; F322-F330 HydrophobicContact CD1-CE1 3.87Å; F322-F330 AromaticContact CD1-CZ 3.83Å; F322-F330 HydrophobicContact CD1-CZ 3.83Å; H327-F330 HydrophobicContact CB-CB 4.26Å; H327-F330 WeakPolarHBondContact ND1-CB 3.29Å; H327-F330 PolarHBondContact ND1-N 3.3Å; H327-F330 WeakPolarHBondContact O-CB 3.4Å; H327-F330 PolarHBondContact O-N 3.44Å; H327-F330 VanDerWaalsContact O-N 3.09Å; Y328-F330 VanDerWaalsContact C-N 3.33Å; Y328-F330 PolarHBondContact O-N 2.95Å; F330-I332 VanDerWaalsContact C-N 3.31Å; F330-I332 PolarHBondContact O-N 3.33Å; F330-H333 PolarHBondContact O-N 2.93Å; F330-L334 HydrophobicContact CE1-CD2 4.08Å; F330-L334 HydrophobicContact CZ-CD2 4.24Å; F330-L334 VanDerWaalsContact O-CB 3.3Å; F330-L334 WeakPolarHBondContact O-CB 3.35Å; F330-L334 PolarHBondContact O-N 3.38Å |
| 331 | V | 88.8 | Confident | 82.5 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | -179.2 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | L323 V325 H327 Y328 L334 V335 W349 | L323-V331 HydrophobicContact CD2-CG1 3.94Å; V325-V331 HydrophobicContact CB-CG2 4.41Å; V325-V331 VanDerWaalsContact O-CG2 3.32Å; V325-V331 WeakPolarHBondContact O-CG2 3.47Å; H327-V331 WeakPolarHBondContact O-CG2 3.32Å; H327-V331 PolarHBondContact O-N 3.35Å; H327-V331 VanDerWaalsContact O-N 3.1Å; Y328-V331 PolarHBondContact O-N 3.26Å; V331-L334 PolarHBondContact O-N 3.1Å; V331-V335 VanDerWaalsContact O-CG2 3.26Å; V331-V335 WeakPolarHBondContact O-CG2 3.49Å; V331-V335 PolarHBondContact O-N 3.46Å; V331-W349 HydrophobicContact CG1-CH2 3.72Å; V331-W349 HydrophobicContact CG1-CZ2 3.6Å |
| 332 | I | 88 | Confident | 81.3 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.1 | -48.6 | 175.7 | -66.2 | 158 | 0 | 0 | 0 | 110.2 | Y328 F330 L334 V335 C336 F361 A364 C365 F368 L397 | Y328-I332 WeakPolarHBondContact O-CB 3.36Å; Y328-I332 VanDerWaalsContact O-CD1 3.27Å; Y328-I332 WeakPolarHBondContact O-CD1 3.31Å; Y328-I332 WeakPolarHBondContact O-CG1 3.46Å; Y328-I332 PolarHBondContact O-N 2.93Å; F330-I332 VanDerWaalsContact C-N 3.31Å; F330-I332 PolarHBondContact O-N 3.33Å; I332-L334 PolarHBondContact O-N 2.93Å; I332-V335 PolarHBondContact O-N 3.39Å; I332-C336 PolarHBondContact O-N 3.31Å; I332-C336 PolarHBondContact O-SG 3.48Å; I332-F361 HydrophobicContact CD1-CE2 4.18Å; I332-F361 HydrophobicContact CD1-CZ 4.3Å; I332-F361 HydrophobicContact CG1-CE2 4Å; I332-F361 HydrophobicContact CG1-CZ 3.92Å; I332-A364 HydrophobicContact CD1-CB 3.93Å; I332-C365 HydrophobicContact CD1-CB 4.25Å; I332-C365 WeakPolarHBondContact CD1-SG 3.31Å; I332-F368 HydrophobicContact CG2-CB 4.28Å; I332-F368 HydrophobicContact CG2-CD1 3.69Å; I332-F368 HydrophobicContact CG2-CD2 4.39Å; I332-F368 HydrophobicContact CG2-CE1 4.12Å; I332-F368 HydrophobicContact CG2-CG 3.85Å; I332-L397 HydrophobicContact CG2-CD2 4.13Å |
| 333 | H | 87.3 | Confident | 80 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.8 | -41.7 | 179.9 | -160.2 | 171.8 | 0 | 0 | 0 | 112.2 | Y296 L306 T329 F330 V335 C336 L337 F368 | Y296-H333 HydrophobicContact CE2-CB 4.41Å; Y296-H333 AromaticContact CE2-ND1 3.37Å; Y296-H333 WeakPolarHBondContact CE2-ND1 3.5Å; Y296-H333 AromaticContact CZ-ND1 3.59Å; Y296-H333 PolarHBondContact OH-ND1 2.92Å; L306-H333 HydrophobicContact CD2-CB 4.44Å; T329-H333 WeakPolarHBondContact O-CB 3.35Å; T329-H333 PolarHBondContact O-N 3.14Å; F330-H333 PolarHBondContact O-N 2.93Å; H333-V335 VanDerWaalsContact C-N 3.32Å; H333-V335 PolarHBondContact O-N 3.49Å; H333-C336 WeakPolarHBondContact O-CB 3.17Å; H333-C336 PolarHBondContact O-N 3.12Å; H333-L337 WeakPolarHBondContact O-CG 2.77Å; H333-L337 PolarHBondContact O-N 3.3Å; H333-F368 HydrophobicContact CB-CD2 4.47Å; H333-F368 HydrophobicContact CB-CE2 3.61Å; H333-F368 HydrophobicContact CB-CZ 4.07Å; H333-F368 AromaticContact CD2-CE2 3.93Å; H333-F368 AromaticContact CD2-CZ 3.83Å; H333-F368 AromaticContact CG-CE2 3.59Å; H333-F368 AromaticContact CG-CZ 3.94Å; H333-F368 AromaticContact ND1-CE2 3.97Å |
| 334 | L | 87.5 | Confident | 79.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58 | -43.9 | 174.4 | 177.7 | 61.7 | 0 | 0 | 0 | 111.7 | I310 I313 L319 F322 L323 F330 V331 I332 L337 T338 | I310-L334 HydrophobicContact CD1-CD1 3.81Å; I310-L334 HydrophobicContact CG1-CD1 3.47Å; I310-L334 VanDerWaalsContact CG1-CD1 3.47Å; I313-L334 HydrophobicContact CD1-CD1 4.39Å; L319-L334 HydrophobicContact CD1-CD1 4.28Å; L319-L334 HydrophobicContact CD1-CD2 4.04Å; L319-L334 HydrophobicContact CD1-CG 4.1Å; F322-L334 HydrophobicContact CB-CD2 3.56Å; L323-L334 HydrophobicContact CD2-CD2 4.26Å; F330-L334 HydrophobicContact CE1-CD2 4.08Å; F330-L334 HydrophobicContact CZ-CD2 4.24Å; F330-L334 VanDerWaalsContact O-CB 3.3Å; F330-L334 WeakPolarHBondContact O-CB 3.35Å; F330-L334 PolarHBondContact O-N 3.38Å; V331-L334 PolarHBondContact O-N 3.1Å; I332-L334 PolarHBondContact O-N 2.93Å; L334-L337 PolarHBondContact O-N 3.31Å; L334-T338 HydrophobicContact CD1-CG2 4.15Å; L334-T338 WeakPolarHBondContact O-CB 3.36Å; L334-T338 WeakPolarHBondContact O-CG2 3.23Å; L334-T338 PolarHBondContact O-N 3.42Å; L334-T338 PolarHBondContact O-OG1 3.01Å |
| 335 | V | 85.3 | Confident | 78.9 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.4 | -38.9 | 177 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | L323 V331 I332 H333 T338 F339 M344 V346 W349 M393 | L323-V335 HydrophobicContact CD2-CG2 3.31Å; V331-V335 VanDerWaalsContact O-CG2 3.26Å; V331-V335 WeakPolarHBondContact O-CG2 3.49Å; V331-V335 PolarHBondContact O-N 3.46Å; I332-V335 PolarHBondContact O-N 3.39Å; H333-V335 VanDerWaalsContact C-N 3.32Å; H333-V335 PolarHBondContact O-N 3.49Å; V335-T338 PolarHBondContact O-N 3.27Å; V335-F339 PolarHBondContact O-N 3.05Å; V335-M344 HydrophobicContact CB-CE 4.07Å; V335-M344 HydrophobicContact CG1-CE 3.29Å; V335-M344 HydrophobicContact CG2-CE 3.51Å; V335-V346 HydrophobicContact CG1-CG1 4.45Å; V335-V346 HydrophobicContact CG1-CG2 3.8Å; V335-W349 HydrophobicContact CB-CH2 4.37Å; V335-W349 HydrophobicContact CB-CZ3 4.24Å; V335-W349 HydrophobicContact CG1-CE3 4.23Å; V335-W349 HydrophobicContact CG1-CZ3 4.14Å; V335-W349 HydrophobicContact CG2-CE3 4.42Å; V335-W349 HydrophobicContact CG2-CH2 3.7Å; V335-W349 HydrophobicContact CG2-CZ2 3.92Å; V335-W349 HydrophobicContact CG2-CZ3 3.96Å; V335-M393 HydrophobicContact CB-CE 4.42Å; V335-M393 HydrophobicContact CG1-CE 3.68Å |
| 336 | C | 81.3 | Confident | 78.7 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.4 | -48.9 | 173.4 | -67.3 | 0 | 0 | 0 | 0 | 112.6 | I332 H333 F339 F368 M393 | I332-C336 PolarHBondContact O-N 3.31Å; I332-C336 PolarHBondContact O-SG 3.48Å; H333-C336 WeakPolarHBondContact O-CB 3.17Å; H333-C336 PolarHBondContact O-N 3.12Å; C336-F339 VanDerWaalsContact O-CB 3.31Å; C336-F339 WeakPolarHBondContact O-CB 3.42Å; C336-F339 PolarHBondContact O-N 3.32Å; C336-F368 HydrophobicContact CB-CZ 4.48Å; C336-F368 VanDerWaalsContact SG-CE1 3.53Å; C336-M393 HydrophobicContact CB-CE 4.1Å; C336-M393 HydrophobicContact CB-CG 4.3Å |
| 337 | L | 79.4 | Confident | 78.7 | Confident | 35 Ų | 35 | 34.4 Ų | 34.4 | 18% | 0.183 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -75.5 | -25.9 | -176.7 | -67 | 174.7 | 0 | 0 | 0 | 112.9 | L306 I310 H333 L334 | L306-L337 HydrophobicContact CB-CD1 4.21Å; L306-L337 HydrophobicContact CD2-CD1 3.54Å; L306-L337 HydrophobicContact CG-CD1 3.8Å; I310-L337 HydrophobicContact CD1-CB 3.29Å; I310-L337 HydrophobicContact CD1-CD1 3.58Å; I310-L337 HydrophobicContact CD1-CG 4.09Å; H333-L337 WeakPolarHBondContact O-CG 2.77Å; H333-L337 PolarHBondContact O-N 3.3Å; L334-L337 PolarHBondContact O-N 3.31Å |
| 338 | T | 77.1 | Confident | 78.5 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 3.4 | 176.3 | 56.3 | 0 | 0 | 0 | 0 | 114 | I310 L319 L334 V335 N340 A341 T342 | I310-T338 HydrophobicContact CB-CG2 4.47Å; I310-T338 HydrophobicContact CD1-CG2 4.27Å; I310-T338 HydrophobicContact CG1-CG2 4.39Å; I310-T338 HydrophobicContact CG2-CG2 3.32Å; L319-T338 HydrophobicContact CD1-CG2 4.23Å; L334-T338 HydrophobicContact CD1-CG2 4.15Å; L334-T338 WeakPolarHBondContact O-CB 3.36Å; L334-T338 WeakPolarHBondContact O-CG2 3.23Å; L334-T338 PolarHBondContact O-N 3.42Å; L334-T338 PolarHBondContact O-OG1 3.01Å; V335-T338 PolarHBondContact O-N 3.27Å; T338-N340 PolarHBondContact O-N 2.82Å; T338-A341 PolarHBondContact O-N 2.91Å; T338-T342 HydrophobicContact CG2-CG2 4.46Å; T338-T342 WeakPolarHBondContact O-CG2 3.24Å; T338-T342 PolarHBondContact O-N 2.92Å; T338-T342 PolarHBondContact O-OG1 3.09Å |
| 339 | F | 74.6 | Confident | 78.3 | Confident | 40 Ų | 40 | 35.5 Ų | 35.5 | 18% | 0.175 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -51.6 | -52 | -172.7 | 179.7 | -114.2 | 0 | 0 | 0 | 112.6 | V335 C336 A341 V346 E392 M393 | V335-F339 PolarHBondContact O-N 3.05Å; C336-F339 VanDerWaalsContact O-CB 3.31Å; C336-F339 WeakPolarHBondContact O-CB 3.42Å; C336-F339 PolarHBondContact O-N 3.32Å; F339-A341 VanDerWaalsContact C-N 3.27Å; F339-A341 PolarHBondContact O-N 3.09Å; F339-V346 HydrophobicContact CD2-CG2 3.56Å; F339-V346 HydrophobicContact CE2-CB 4.45Å; F339-V346 HydrophobicContact CE2-CG2 3.75Å; F339-E392 HydrophobicContact CE1-CB 4.35Å; F339-M393 HydrophobicContact CB-CE 4.43Å; F339-M393 HydrophobicContact CB-CG 4.39Å; F339-M393 HydrophobicContact CB-SD 4.22Å; F339-M393 HydrophobicContact CD1-CB 4.08Å; F339-M393 HydrophobicContact CD2-CE 4.22Å; F339-M393 HydrophobicContact CD2-CG 4.45Å; F339-M393 HydrophobicContact CD2-SD 3.46Å; F339-M393 WeakPolarHBondContact CD2-SD 3.42Å; F339-M393 HydrophobicContact CE1-CB 4.36Å; F339-M393 HydrophobicContact CE2-SD 3.88Å; F339-M393 HydrophobicContact CG-CB 4.21Å; F339-M393 HydrophobicContact CG-CG 4.24Å; F339-M393 HydrophobicContact CG-SD 3.82Å |
| 340 | N | 64.8 | Low | 78.3 | Confident | 126 Ų | 126 | 33.3 Ų | 33.3 | 67% | 0.674 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -71 | -20.7 | 180 | -68.1 | -7.6 | 0 | 0 | 0 | 113.6 | T338 | T338-N340 PolarHBondContact O-N 2.82Å |
| 341 | A | 57.6 | Low | 78.1 | Confident | 66 Ų | 66 | 36.2 Ų | 36.2 | 55% | 0.545 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -96.5 | -17.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T338 F339 | T338-A341 PolarHBondContact O-N 2.91Å; F339-A341 VanDerWaalsContact C-N 3.27Å; F339-A341 PolarHBondContact O-N 3.09Å |
| 342 | T | 57.2 | Low | 77.9 | Confident | 34 Ų | 34 | 39.5 Ų | 39.5 | 21% | 0.209 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -114 | -13.5 | -169.6 | 55.9 | 0 | 0 | 0 | 0 | 114.4 | M314 L319 T338 M344 | M314-T342 HydrophobicContact CE-CG2 4.12Å; M314-T342 HydrophobicContact SD-CG2 4.26Å; L319-T342 HydrophobicContact CD2-CG2 3.33Å; T338-T342 HydrophobicContact CG2-CG2 4.46Å; T338-T342 WeakPolarHBondContact O-CG2 3.24Å; T338-T342 PolarHBondContact O-N 2.92Å; T338-T342 PolarHBondContact O-OG1 3.09Å; T342-M344 PolarHBondContact O-N 3.31Å |
| 343 | D | 60.9 | Low | 77.7 | Confident | 84 Ų | 84 | 41 Ų | 41 | 45% | 0.449 | 22% | 0.219 | S | C | . | . | trans | 53.8 | 22.3 | 179.9 | -75.4 | -60.3 | 0 | 0 | 0 | 114.1 | T624 | D343-T624 HydrophobicContact CB-CG2 3.79Å; D343-T624 VanDerWaalsContact CB-OG1 3.29Å; D343-T624 WeakPolarHBondContact CB-OG1 3.43Å; D343-T624 VanDerWaalsContact CG-CB 3.46Å; D343-T624 WeakPolarHBondContact OD1-CB 3.37Å; D343-T624 WeakPolarHBondContact OD1-CG2 3.29Å; D343-T624 PolarHBondContact OD1-OG1 3.25Å; D343-T624 WeakPolarHBondContact OD2-CG2 3.45Å | ||
| 344 | M | 70.1 | Confident | 77.7 | Confident | 38 Ų | 38 | 41 Ų | 41 | 19% | 0.187 | 22% | 0.219 | C | C | . | . | trans | -76.1 | 129 | -176.1 | -172.5 | 171.2 | 62.1 | 0 | 0 | 109.7 | L323 V335 T342 V346 W349 | L323-M344 HydrophobicContact CD1-SD 4.3Å; V335-M344 HydrophobicContact CB-CE 4.07Å; V335-M344 HydrophobicContact CG1-CE 3.29Å; V335-M344 HydrophobicContact CG2-CE 3.51Å; T342-M344 PolarHBondContact O-N 3.31Å; M344-V346 VanDerWaalsContact C-N 3.3Å; M344-V346 WeakPolarHBondContact O-CG2 3.26Å; M344-V346 PolarHBondContact O-N 3.06Å; M344-W349 HydrophobicContact CE-CB 4.43Å; M344-W349 HydrophobicContact CE-CD2 3.85Å; M344-W349 HydrophobicContact CE-CE3 4.24Å; M344-W349 HydrophobicContact CE-CG 3.9Å; M344-W349 HydrophobicContact CG-CB 4.31Å; M344-W349 HydrophobicContact SD-CB 4.21Å; M344-W349 HydrophobicContact SD-CD2 4.31Å; M344-W349 HydrophobicContact SD-CG 3.79Å | ||
| 345 | P | 76.2 | Confident | 77.5 | Confident | 55 Ų | 55 | 44.8 Ų | 44.8 | 36% | 0.357 | 24% | 0.239 | S | C | . | . | trans | -70.9 | 87.8 | 174.8 | 28.4 | -33.4 | 0 | 0 | 0 | 109.7 | D347 K348 W349 | P345-D347 VanDerWaalsContact C-N 3.26Å; P345-D347 PolarHBondContact O-N 3.32Å; P345-K348 HydrophobicContact CB-CB 4.28Å; P345-K348 HydrophobicContact CG-CB 4.43Å; P345-K348 PolarHBondContact O-N 3.12Å; P345-K348 VanDerWaalsContact O-N 3.15Å; P345-W349 WeakPolarHBondContact O-CB 3.19Å; P345-W349 PolarHBondContact O-N 2.8Å | ||
| 346 | V | 82.2 | Confident | 77.3 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.9 | -37.6 | -171.7 | 172.4 | 0 | 0 | 0 | 0 | 112.4 | V335 F339 M344 W349 I350 M393 L397 | V335-V346 HydrophobicContact CG1-CG1 4.45Å; V335-V346 HydrophobicContact CG1-CG2 3.8Å; F339-V346 HydrophobicContact CD2-CG2 3.56Å; F339-V346 HydrophobicContact CE2-CB 4.45Å; F339-V346 HydrophobicContact CE2-CG2 3.75Å; M344-V346 VanDerWaalsContact C-N 3.3Å; M344-V346 WeakPolarHBondContact O-CG2 3.26Å; M344-V346 PolarHBondContact O-N 3.06Å; V346-W349 PolarHBondContact O-N 3.2Å; V346-I350 HydrophobicContact CG1-CD1 3.61Å; V346-I350 HydrophobicContact CG1-CG1 4.21Å; V346-I350 WeakPolarHBondContact O-CB 3.28Å; V346-I350 WeakPolarHBondContact O-CD1 3.35Å; V346-I350 WeakPolarHBondContact O-CG1 3.27Å; V346-I350 PolarHBondContact O-N 3.49Å; V346-M393 HydrophobicContact CB-CE 4.28Å; V346-M393 HydrophobicContact CB-SD 4.17Å; V346-M393 HydrophobicContact CG1-CE 3.68Å; V346-M393 HydrophobicContact CG1-SD 3.84Å; V346-M393 HydrophobicContact CG2-CE 3.68Å; V346-M393 HydrophobicContact CG2-SD 3.79Å; V346-L397 HydrophobicContact CG1-CG 4.46Å |
| 347 | D | 82.5 | Confident | 77.3 | Confident | 73 Ų | 73 | 52.6 Ų | 52.6 | 39% | 0.39 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 177.8 | 62.5 | -39.1 | 0 | 0 | 0 | 111.8 | P345 H351 A399 G400 | P345-D347 VanDerWaalsContact C-N 3.26Å; P345-D347 PolarHBondContact O-N 3.32Å; D347-H351 PolarHBondContact O-N 3.03Å; D347-H351 VanDerWaalsContact O-N 3.14Å; D347-A399 HydrophobicContact CB-CB 4.29Å; D347-G400 WeakPolarHBondContact O-CA 3.41Å |
| 348 | K | 82.3 | Confident | 77.5 | Confident | 106 Ų | 106 | 52.3 Ų | 52.3 | 46% | 0.461 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.8 | -42.9 | 175.5 | -174.1 | 175 | 179.5 | 171.7 | 0 | 111.7 | P345 I350 H351 D352 | P345-K348 HydrophobicContact CB-CB 4.28Å; P345-K348 HydrophobicContact CG-CB 4.43Å; P345-K348 PolarHBondContact O-N 3.12Å; P345-K348 VanDerWaalsContact O-N 3.15Å; K348-I350 VanDerWaalsContact C-N 3.32Å; K348-I350 PolarHBondContact O-N 3.42Å; K348-H351 WeakPolarHBondContact O-CB 3.49Å; K348-H351 PolarHBondContact O-N 3.01Å; K348-H351 VanDerWaalsContact O-N 3.13Å; K348-D352 PolarHBondContact O-N 3.37Å |
| 349 | W | 85 | Confident | 78 | Confident | 33 Ų | 33 | 55.9 Ų | 55.9 | 13% | 0.125 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 178.3 | 174 | 82.6 | 0 | 0 | 0 | 112.3 | L323 V331 V335 M344 P345 V346 D352 K353 F361 | L323-W349 HydrophobicContact CD2-CZ2 4.38Å; V331-W349 HydrophobicContact CG1-CH2 3.72Å; V331-W349 HydrophobicContact CG1-CZ2 3.6Å; V335-W349 HydrophobicContact CB-CH2 4.37Å; V335-W349 HydrophobicContact CB-CZ3 4.24Å; V335-W349 HydrophobicContact CG1-CE3 4.23Å; V335-W349 HydrophobicContact CG1-CZ3 4.14Å; V335-W349 HydrophobicContact CG2-CE3 4.42Å; V335-W349 HydrophobicContact CG2-CH2 3.7Å; V335-W349 HydrophobicContact CG2-CZ2 3.92Å; V335-W349 HydrophobicContact CG2-CZ3 3.96Å; M344-W349 HydrophobicContact CE-CB 4.43Å; M344-W349 HydrophobicContact CE-CD2 3.85Å; M344-W349 HydrophobicContact CE-CE3 4.24Å; M344-W349 HydrophobicContact CE-CG 3.9Å; M344-W349 HydrophobicContact CG-CB 4.31Å; M344-W349 HydrophobicContact SD-CB 4.21Å; M344-W349 HydrophobicContact SD-CD2 4.31Å; M344-W349 HydrophobicContact SD-CG 3.79Å; P345-W349 WeakPolarHBondContact O-CB 3.19Å; P345-W349 PolarHBondContact O-N 2.8Å; V346-W349 PolarHBondContact O-N 3.2Å; W349-D352 PolarHBondContact O-N 3.3Å; W349-K353 HydrophobicContact CD2-CG 4.31Å; W349-K353 HydrophobicContact CH2-CG 4.48Å; W349-K353 HydrophobicContact CZ2-CG 3.89Å; W349-K353 WeakPolarHBondContact O-CB 3.45Å; W349-K353 WeakPolarHBondContact O-CG 3.38Å; W349-K353 PolarHBondContact O-N 3.18Å; W349-F361 HydrophobicContact CH2-CE2 4.33Å; W349-F361 AromaticContact CH2-CZ 3.73Å; W349-F361 HydrophobicContact CH2-CZ 3.73Å; W349-F361 HydrophobicContact CZ2-CZ 4.49Å; W349-F361 AromaticContact CZ3-CZ 3.95Å; W349-F361 HydrophobicContact CZ3-CZ 3.95Å |
| 350 | I | 87 | Confident | 78.4 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 172.7 | -73.4 | 165.8 | 0 | 0 | 0 | 110.6 | V346 K348 D352 K353 I354 F361 L397 L401 | V346-I350 HydrophobicContact CG1-CD1 3.61Å; V346-I350 HydrophobicContact CG1-CG1 4.21Å; V346-I350 WeakPolarHBondContact O-CB 3.28Å; V346-I350 WeakPolarHBondContact O-CD1 3.35Å; V346-I350 WeakPolarHBondContact O-CG1 3.27Å; V346-I350 PolarHBondContact O-N 3.49Å; K348-I350 VanDerWaalsContact C-N 3.32Å; K348-I350 PolarHBondContact O-N 3.42Å; I350-D352 VanDerWaalsContact C-N 3.32Å; I350-D352 PolarHBondContact O-N 2.75Å; I350-K353 PolarHBondContact O-N 3.31Å; I350-I354 HydrophobicContact CG2-CD1 3.58Å; I350-I354 HydrophobicContact CG2-CG1 4.22Å; I350-I354 WeakPolarHBondContact O-CB 3.19Å; I350-I354 VanDerWaalsContact O-CG1 3.24Å; I350-I354 WeakPolarHBondContact O-CG1 3.45Å; I350-I354 PolarHBondContact O-N 2.83Å; I350-F361 HydrophobicContact CG2-CE1 4.49Å; I350-L397 HydrophobicContact CD1-CB 4.26Å; I350-L397 HydrophobicContact CD1-CD2 3.47Å; I350-L397 VanDerWaalsContact CD1-CD2 3.47Å; I350-L397 HydrophobicContact CD1-CG 4.08Å; I350-L401 HydrophobicContact CG2-CG 4.47Å |
| 351 | H | 84.5 | Confident | 79.6 | Confident | 61 Ų | 61 | 53.8 Ų | 53.8 | 28% | 0.282 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.1 | -47 | 177.5 | -176 | 61.2 | 0 | 0 | 0 | 111.4 | D347 K348 I354 N355 S404 | D347-H351 PolarHBondContact O-N 3.03Å; D347-H351 VanDerWaalsContact O-N 3.14Å; K348-H351 WeakPolarHBondContact O-CB 3.49Å; K348-H351 PolarHBondContact O-N 3.01Å; K348-H351 VanDerWaalsContact O-N 3.13Å; H351-I354 PolarHBondContact O-N 3.27Å; H351-N355 PolarHBondContact CD2-ND2 3.5Å; H351-N355 PolarHBondContact NE2-ND2 2.83Å; H351-N355 VanDerWaalsContact NE2-ND2 3.2Å; H351-N355 VanDerWaalsContact O-CG 3.27Å; H351-N355 PolarHBondContact O-N 3.2Å; H351-N355 PolarHBondContact O-ND2 2.72Å; H351-N355 VanDerWaalsContact O-ND2 3.15Å; H351-S404 PolarHBondContact ND1-OG 3.42Å |
| 352 | D | 84.9 | Confident | 81.1 | Confident | 71 Ų | 71 | 50.6 Ų | 50.6 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 177.4 | -66.9 | -15.7 | 0 | 0 | 0 | 111.1 | K348 W349 I350 I354 N355 D356 | K348-D352 PolarHBondContact O-N 3.37Å; W349-D352 PolarHBondContact O-N 3.3Å; I350-D352 VanDerWaalsContact C-N 3.32Å; I350-D352 PolarHBondContact O-N 2.75Å; D352-I354 PolarHBondContact O-N 2.96Å; D352-N355 WeakPolarHBondContact O-CB 3.33Å; D352-N355 PolarHBondContact O-N 3.03Å; D352-D356 PolarHBondContact O-N 2.59Å |
| 353 | K | 84.8 | Confident | 82.6 | Confident | 32 Ų | 32 | 52.3 Ų | 52.3 | 14% | 0.139 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.2 | -32.6 | 176.1 | -80.8 | -67.5 | -171.9 | 178.5 | 0 | 114 | L323 W349 I350 D356 C357 F361 | L323-K353 PolarHBondContact O-NZ 3.37Å; W349-K353 HydrophobicContact CD2-CG 4.31Å; W349-K353 HydrophobicContact CH2-CG 4.48Å; W349-K353 HydrophobicContact CZ2-CG 3.89Å; W349-K353 WeakPolarHBondContact O-CB 3.45Å; W349-K353 WeakPolarHBondContact O-CG 3.38Å; W349-K353 PolarHBondContact O-N 3.18Å; I350-K353 PolarHBondContact O-N 3.31Å; K353-D356 PolarHBondContact O-N 2.86Å; K353-C357 WeakPolarHBondContact O-CA 3.42Å; K353-C357 WeakPolarHBondContact O-CB 3.37Å; K353-C357 PolarHBondContact O-N 3.35Å; K353-F361 HydrophobicContact CB-CD1 3.86Å; K353-F361 HydrophobicContact CB-CD2 4.5Å; K353-F361 HydrophobicContact CB-CE1 3.53Å; K353-F361 HydrophobicContact CB-CE2 4.24Å; K353-F361 HydrophobicContact CB-CG 4.33Å; K353-F361 HydrophobicContact CB-CZ 3.75Å; K353-F361 HydrophobicContact CG-CE1 4.41Å; K353-F361 HydrophobicContact CG-CE2 4.49Å; K353-F361 HydrophobicContact CG-CZ 4.15Å |
| 354 | I | 86.4 | Confident | 84 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.4 | -39 | 173.7 | -69.7 | 170.3 | 0 | 0 | 0 | 110.2 | I350 H351 D352 D356 G358 F361 A362 L401 L408 | I350-I354 HydrophobicContact CG2-CD1 3.58Å; I350-I354 HydrophobicContact CG2-CG1 4.22Å; I350-I354 WeakPolarHBondContact O-CB 3.19Å; I350-I354 VanDerWaalsContact O-CG1 3.24Å; I350-I354 WeakPolarHBondContact O-CG1 3.45Å; I350-I354 PolarHBondContact O-N 2.83Å; H351-I354 PolarHBondContact O-N 3.27Å; D352-I354 PolarHBondContact O-N 2.96Å; I354-D356 VanDerWaalsContact C-N 3.34Å; I354-G358 WeakPolarHBondContact O-CA 3.33Å; I354-G358 PolarHBondContact O-N 2.75Å; I354-F361 HydrophobicContact CG1-CD1 3.81Å; I354-F361 HydrophobicContact CG1-CE1 4.48Å; I354-A362 HydrophobicContact CD1-CB 3.97Å; I354-A362 HydrophobicContact CG1-CB 4.12Å; I354-L401 HydrophobicContact CD1-CD2 3.85Å; I354-L408 HydrophobicContact CG2-CD2 3.84Å |
| 355 | N | 83.5 | Confident | 84.8 | Confident | 79 Ų | 79 | 46.9 Ų | 46.9 | 42% | 0.422 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.2 | -38.3 | 175.2 | -69 | -32.3 | 0 | 0 | 0 | 111.7 | H351 D352 | H351-N355 PolarHBondContact CD2-ND2 3.5Å; H351-N355 PolarHBondContact NE2-ND2 2.83Å; H351-N355 VanDerWaalsContact NE2-ND2 3.2Å; H351-N355 VanDerWaalsContact O-CG 3.27Å; H351-N355 PolarHBondContact O-N 3.2Å; H351-N355 PolarHBondContact O-ND2 2.72Å; H351-N355 VanDerWaalsContact O-ND2 3.15Å; D352-N355 WeakPolarHBondContact O-CB 3.33Å; D352-N355 PolarHBondContact O-N 3.03Å |
| 356 | D | 80.8 | Confident | 85.4 | Confident | 131 Ų | 131 | 44.3 Ų | 44.3 | 70% | 0.701 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -79.5 | -43.2 | -179.6 | -71.8 | -14.6 | 0 | 0 | 0 | 113.5 | D352 K353 I354 | D352-D356 PolarHBondContact O-N 2.59Å; K353-D356 PolarHBondContact O-N 2.86Å; I354-D356 VanDerWaalsContact C-N 3.34Å |
| 357 | C | 81.8 | Confident | 85.6 | Confident | 37 Ų | 37 | 47.4 Ų | 47.4 | 25% | 0.25 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -105.3 | -8.8 | -170.5 | -55.9 | 0 | 0 | 0 | 0 | 114 | Y328 K353 F361 | Y328-C357 HydrophobicContact CE1-CB 4.22Å; K353-C357 WeakPolarHBondContact O-CA 3.42Å; K353-C357 WeakPolarHBondContact O-CB 3.37Å; K353-C357 PolarHBondContact O-N 3.35Å; C357-F361 HydrophobicContact CB-CB 3.94Å |
| 358 | G | 84 | Confident | 85.8 | Confident | 28 Ų | 28 | 44 Ų | 44 | 29% | 0.289 | 23% | 0.229 | S | C | . | . | trans | 73.9 | -163.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | I354 N360 F361 | I354-G358 WeakPolarHBondContact O-CA 3.33Å; I354-G358 PolarHBondContact O-N 2.75Å; G358-N360 PolarHBondContact O-N 3.41Å; G358-N360 VanDerWaalsContact O-N 3.17Å; G358-F361 PolarHBondContact O-N 3.44Å | ||
| 359 | E | 86.6 | Confident | 85.9 | Confident | 77 Ų | 77 | 38.9 Ų | 38.9 | 36% | 0.36 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.1 | -26.8 | -173.4 | -75.4 | -168 | -169.4 | 0 | 0 | 114.8 | F361 A362 Q363 L408 S409 I412 | E359-F361 VanDerWaalsContact C-N 3.29Å; E359-F361 PolarHBondContact O-N 3.23Å; E359-A362 PolarHBondContact O-N 3.02Å; E359-Q363 PolarHBondContact O-N 3.2Å; E359-L408 HydrophobicContact CG-CD2 4.18Å; E359-S409 WeakPolarHBondContact OE1-CA 3.07Å; E359-S409 WeakPolarHBondContact OE1-CB 2.95Å; E359-S409 PolarHBondContact OE1-N 2.87Å; E359-S409 PolarHBondContact OE1-OG 3.18Å; E359-S409 VanDerWaalsContact OE2-CB 3.27Å; E359-S409 WeakPolarHBondContact OE2-CB 3.19Å; E359-S409 PolarHBondContact OE2-OG 2.52Å; E359-I412 HydrophobicContact CB-CD1 3.64Å; E359-I412 HydrophobicContact CG-CD1 3.89Å; E359-I412 WeakPolarHBondContact OE2-CD1 3.46Å |
| 360 | N | 84 | Confident | 85.7 | Confident | 120 Ų | 120 | 42 Ų | 42 | 64% | 0.642 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -62.6 | -36.7 | -179.6 | -68.1 | -23.2 | 0 | 0 | 0 | 112.1 | Y328 G358 A364 | Y328-N360 HydrophobicContact CE2-CB 4.01Å; G358-N360 PolarHBondContact O-N 3.41Å; G358-N360 VanDerWaalsContact O-N 3.17Å; N360-A364 PolarHBondContact O-N 3.38Å; N360-A364 VanDerWaalsContact O-N 3.11Å |
| 361 | F | 90.4 | Very high | 85.2 | Confident | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.2 | -43.3 | 176.6 | -177.1 | -95.8 | 0 | 0 | 0 | 111.1 | Y328 I332 W349 I350 K353 I354 C357 G358 E359 Q363 A364 C365 | Y328-F361 AromaticContact CD1-CD2 3.64Å; Y328-F361 HydrophobicContact CD1-CD2 3.64Å; Y328-F361 HydrophobicContact CD1-CE2 4.33Å; Y328-F361 HydrophobicContact CD2-CB 4.34Å; Y328-F361 HydrophobicContact CD2-CD2 4.38Å; Y328-F361 HydrophobicContact CE1-CD2 4.31Å; Y328-F361 HydrophobicContact CG-CB 4.45Å; Y328-F361 AromaticContact CG-CD2 3.67Å; Y328-F361 HydrophobicContact CG-CD2 3.67Å; Y328-F361 HydrophobicContact CG-CE2 4.49Å; I332-F361 HydrophobicContact CD1-CE2 4.18Å; I332-F361 HydrophobicContact CD1-CZ 4.3Å; I332-F361 HydrophobicContact CG1-CE2 4Å; I332-F361 HydrophobicContact CG1-CZ 3.92Å; W349-F361 HydrophobicContact CH2-CE2 4.33Å; W349-F361 AromaticContact CH2-CZ 3.73Å; W349-F361 HydrophobicContact CH2-CZ 3.73Å; W349-F361 HydrophobicContact CZ2-CZ 4.49Å; W349-F361 AromaticContact CZ3-CZ 3.95Å; W349-F361 HydrophobicContact CZ3-CZ 3.95Å; I350-F361 HydrophobicContact CG2-CE1 4.49Å; K353-F361 HydrophobicContact CB-CD1 3.86Å; K353-F361 HydrophobicContact CB-CD2 4.5Å; K353-F361 HydrophobicContact CB-CE1 3.53Å; K353-F361 HydrophobicContact CB-CE2 4.24Å; K353-F361 HydrophobicContact CB-CG 4.33Å; K353-F361 HydrophobicContact CB-CZ 3.75Å; K353-F361 HydrophobicContact CG-CE1 4.41Å; K353-F361 HydrophobicContact CG-CE2 4.49Å; K353-F361 HydrophobicContact CG-CZ 4.15Å; I354-F361 HydrophobicContact CG1-CD1 3.81Å; I354-F361 HydrophobicContact CG1-CE1 4.48Å; C357-F361 HydrophobicContact CB-CB 3.94Å; G358-F361 PolarHBondContact O-N 3.44Å; E359-F361 VanDerWaalsContact C-N 3.29Å; E359-F361 PolarHBondContact O-N 3.23Å; F361-Q363 VanDerWaalsContact C-N 3.32Å; F361-Q363 PolarHBondContact O-N 3.35Å; F361-A364 WeakPolarHBondContact O-CB 3.16Å; F361-A364 PolarHBondContact O-N 3.4Å; F361-A364 VanDerWaalsContact O-N 3.1Å; F361-C365 PolarHBondContact O-N 2.96Å; F361-C365 PolarHBondContact O-SG 3.07Å |
| 362 | A | 88.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.2 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | I354 E359 A364 C365 I366 L401 L408 I412 | I354-A362 HydrophobicContact CD1-CB 3.97Å; I354-A362 HydrophobicContact CG1-CB 4.12Å; E359-A362 PolarHBondContact O-N 3.02Å; A362-A364 VanDerWaalsContact C-N 3.3Å; A362-A364 PolarHBondContact O-N 3.23Å; A362-C365 PolarHBondContact O-N 3.4Å; A362-I366 WeakPolarHBondContact O-CG1 3.49Å; A362-I366 PolarHBondContact O-N 2.77Å; A362-L401 HydrophobicContact CB-CD2 3.84Å; A362-L408 HydrophobicContact CB-CD1 4.17Å; A362-L408 HydrophobicContact CB-CD2 3.38Å; A362-L408 HydrophobicContact CB-CG 4.42Å; A362-I412 HydrophobicContact CB-CG2 4.18Å |
| 363 | Q | 89 | Confident | 83.7 | Confident | 69 Ų | 69 | 43 Ų | 43 | 32% | 0.322 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.6 | -37.5 | 174.4 | -171.4 | 61 | 59.7 | 0 | 0 | 111.9 | E359 F361 I366 N367 | E359-Q363 PolarHBondContact O-N 3.2Å; F361-Q363 VanDerWaalsContact C-N 3.32Å; F361-Q363 PolarHBondContact O-N 3.35Å; Q363-I366 PolarHBondContact O-N 2.99Å; Q363-N367 PolarHBondContact NE2-OD1 3.06Å; Q363-N367 PolarHBondContact O-N 3.41Å; Q363-N367 PolarHBondContact O-OD1 3.49Å |
| 364 | A | 88.9 | Confident | 82.7 | Confident | 9 Ų | 9 | 42.7 Ų | 42.7 | 7% | 0.074 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.6 | -42.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I332 N360 F361 A362 I366 N367 F368 | I332-A364 HydrophobicContact CD1-CB 3.93Å; N360-A364 PolarHBondContact O-N 3.38Å; N360-A364 VanDerWaalsContact O-N 3.11Å; F361-A364 WeakPolarHBondContact O-CB 3.16Å; F361-A364 PolarHBondContact O-N 3.4Å; F361-A364 VanDerWaalsContact O-N 3.1Å; A362-A364 VanDerWaalsContact C-N 3.3Å; A362-A364 PolarHBondContact O-N 3.23Å; A364-I366 VanDerWaalsContact C-N 3.32Å; A364-I366 PolarHBondContact O-N 2.71Å; A364-N367 PolarHBondContact O-N 3.14Å; A364-F368 WeakPolarHBondContact O-CB 3.4Å; A364-F368 PolarHBondContact O-N 3.46Å |
| 365 | C | 88.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.2 | -42.2 | 173.6 | -62.1 | 0 | 0 | 0 | 0 | 112.2 | I332 F361 A362 M369 L401 | I332-C365 HydrophobicContact CD1-CB 4.25Å; I332-C365 WeakPolarHBondContact CD1-SG 3.31Å; F361-C365 PolarHBondContact O-N 2.96Å; F361-C365 PolarHBondContact O-SG 3.07Å; A362-C365 PolarHBondContact O-N 3.4Å; C365-M369 WeakPolarHBondContact O-CG 3.48Å; C365-M369 PolarHBondContact O-N 2.98Å; C365-L401 HydrophobicContact CB-CD1 3.84Å; C365-L401 HydrophobicContact CB-CD2 4.07Å; C365-L401 HydrophobicContact CB-CG 4.29Å |
| 366 | I | 87.5 | Confident | 79.4 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 177.7 | -70.7 | 169.7 | 0 | 0 | 0 | 111.2 | A362 Q363 A364 M369 K370 L401 I412 A415 V416 I419 | A362-I366 WeakPolarHBondContact O-CG1 3.49Å; A362-I366 PolarHBondContact O-N 2.77Å; Q363-I366 PolarHBondContact O-N 2.99Å; A364-I366 VanDerWaalsContact C-N 3.32Å; A364-I366 PolarHBondContact O-N 2.71Å; I366-M369 HydrophobicContact CG1-CE 4.47Å; I366-K370 HydrophobicContact CG2-CD 4.31Å; I366-K370 WeakPolarHBondContact O-CG 3.3Å; I366-K370 PolarHBondContact O-N 3.19Å; I366-L401 HydrophobicContact CG1-CD1 4.32Å; I366-I412 HydrophobicContact CD1-CB 4.45Å; I366-I412 HydrophobicContact CD1-CG2 3.5Å; I366-A415 HydrophobicContact CD1-CB 4.13Å; I366-A415 HydrophobicContact CG2-CB 4.12Å; I366-V416 HydrophobicContact CD1-CG2 3.62Å; I366-V416 HydrophobicContact CG1-CG2 3.98Å; I366-I419 HydrophobicContact CB-CD1 4.28Å; I366-I419 HydrophobicContact CG1-CD1 4.47Å; I366-I419 HydrophobicContact CG2-CD1 3.73Å |
| 367 | N | 87.8 | Confident | 77.3 | Confident | 67 Ų | 67 | 48.2 Ų | 48.2 | 36% | 0.358 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65 | -47.1 | 178.9 | -67.8 | -6 | 0 | 0 | 0 | 110.6 | Q363 A364 M369 K370 E371 | Q363-N367 PolarHBondContact NE2-OD1 3.06Å; Q363-N367 PolarHBondContact O-N 3.41Å; Q363-N367 PolarHBondContact O-OD1 3.49Å; A364-N367 PolarHBondContact O-N 3.14Å; N367-M369 PolarHBondContact O-N 3.35Å; N367-K370 WeakPolarHBondContact O-CB 3.48Å; N367-K370 PolarHBondContact O-N 2.86Å; N367-K370 VanDerWaalsContact O-N 3.09Å; N367-E371 PolarHBondContact O-N 3.33Å |
| 368 | F | 86.3 | Confident | 75.5 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.9 | -47.5 | 176.4 | -179 | -94 | 0 | 0 | 0 | 112 | T329 I332 H333 C336 A364 K370 E371 H372 I389 | T329-F368 HydrophobicContact CG2-CD2 4.18Å; I332-F368 HydrophobicContact CG2-CB 4.28Å; I332-F368 HydrophobicContact CG2-CD1 3.69Å; I332-F368 HydrophobicContact CG2-CD2 4.39Å; I332-F368 HydrophobicContact CG2-CE1 4.12Å; I332-F368 HydrophobicContact CG2-CG 3.85Å; H333-F368 HydrophobicContact CB-CD2 4.47Å; H333-F368 HydrophobicContact CB-CE2 3.61Å; H333-F368 HydrophobicContact CB-CZ 4.07Å; H333-F368 AromaticContact CD2-CE2 3.93Å; H333-F368 AromaticContact CD2-CZ 3.83Å; H333-F368 AromaticContact CG-CE2 3.59Å; H333-F368 AromaticContact CG-CZ 3.94Å; H333-F368 AromaticContact ND1-CE2 3.97Å; C336-F368 HydrophobicContact CB-CZ 4.48Å; C336-F368 VanDerWaalsContact SG-CE1 3.53Å; A364-F368 WeakPolarHBondContact O-CB 3.4Å; A364-F368 PolarHBondContact O-N 3.46Å; F368-K370 VanDerWaalsContact C-N 3.35Å; F368-K370 PolarHBondContact O-N 2.88Å; F368-E371 PolarHBondContact O-N 3.11Å; F368-H372 AromaticContact CD2-CD2 3.44Å; F368-H372 VanDerWaalsContact CD2-CD2 3.44Å; F368-H372 WeakPolarHBondContact CD2-CD2 3.46Å; F368-H372 AromaticContact CD2-NE2 3.87Å; F368-H372 AromaticContact CE2-CD2 3.34Å; F368-H372 WeakPolarHBondContact CE2-CD2 3.35Å; F368-H372 AromaticContact CE2-CG 3.97Å; F368-H372 AromaticContact CE2-NE2 3.63Å; F368-H372 HydrophobicContact CZ-CB 4.37Å; F368-H372 AromaticContact CZ-CD2 3.93Å; F368-H372 PolarHBondContact O-CD2 3.33Å; F368-H372 PolarHBondContact O-N 3.3Å; F368-I389 HydrophobicContact CE1-CD1 4.06Å; F368-I389 HydrophobicContact CZ-CD1 3.84Å |
| 369 | M | 83.4 | Confident | 73.4 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 176.6 | -73.6 | -174 | -62.9 | 0 | 0 | 112.5 | C365 I366 N367 C373 F374 L397 L398 L401 I419 | C365-M369 WeakPolarHBondContact O-CG 3.48Å; C365-M369 PolarHBondContact O-N 2.98Å; I366-M369 HydrophobicContact CG1-CE 4.47Å; N367-M369 PolarHBondContact O-N 3.35Å; M369-C373 WeakPolarHBondContact O-CA 3.38Å; M369-C373 WeakPolarHBondContact O-CB 3.17Å; M369-C373 PolarHBondContact O-N 3.41Å; M369-F374 VanDerWaalsContact O-CD2 3.28Å; M369-F374 WeakPolarHBondContact O-CD2 3.42Å; M369-L397 HydrophobicContact SD-CB 4.1Å; M369-L398 HydrophobicContact SD-CG 4.08Å; M369-L401 HydrophobicContact CE-CD1 3.2Å; M369-L401 HydrophobicContact SD-CD1 4.37Å; M369-I419 HydrophobicContact CB-CD1 4.28Å; M369-I419 HydrophobicContact CE-CD1 3.95Å; M369-I419 HydrophobicContact CE-CG2 4.16Å; M369-I419 HydrophobicContact SD-CG2 4.19Å |
| 370 | K | 80.6 | Confident | 71.1 | Confident | 98 Ų | 98 | 63.2 Ų | 63.2 | 43% | 0.426 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 176.4 | -76.5 | 174.4 | -179.1 | 178.2 | 0 | 111.9 | I366 N367 F368 I419 | I366-K370 HydrophobicContact CG2-CD 4.31Å; I366-K370 WeakPolarHBondContact O-CG 3.3Å; I366-K370 PolarHBondContact O-N 3.19Å; N367-K370 WeakPolarHBondContact O-CB 3.48Å; N367-K370 PolarHBondContact O-N 2.86Å; N367-K370 VanDerWaalsContact O-N 3.09Å; F368-K370 VanDerWaalsContact C-N 3.35Å; F368-K370 PolarHBondContact O-N 2.88Å; K370-I419 HydrophobicContact CG-CD1 3.9Å; K370-I419 HydrophobicContact CG-CG1 4.35Å |
| 371 | E | 76.4 | Confident | 69 | Low | 126 Ų | 126 | 62.3 Ų | 62.3 | 59% | 0.589 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -74.7 | -43.3 | -176.5 | -73.5 | 174 | 175.8 | 0 | 0 | 112.5 | N367 F368 V375 | N367-E371 PolarHBondContact O-N 3.33Å; F368-E371 PolarHBondContact O-N 3.11Å; E371-V375 VanDerWaalsContact O-CG2 3.24Å; E371-V375 WeakPolarHBondContact O-CG2 3.41Å |
| 372 | H | 71.6 | Confident | 66.9 | Low | 27 Ų | 27 | 66.7 Ų | 66.7 | 13% | 0.125 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -100.1 | -20 | -172.9 | -67.3 | -86.9 | 0 | 0 | 0 | 114.8 | F368 D386 I389 | F368-H372 AromaticContact CD2-CD2 3.44Å; F368-H372 VanDerWaalsContact CD2-CD2 3.44Å; F368-H372 WeakPolarHBondContact CD2-CD2 3.46Å; F368-H372 AromaticContact CD2-NE2 3.87Å; F368-H372 AromaticContact CE2-CD2 3.34Å; F368-H372 WeakPolarHBondContact CE2-CD2 3.35Å; F368-H372 AromaticContact CE2-CG 3.97Å; F368-H372 AromaticContact CE2-NE2 3.63Å; F368-H372 HydrophobicContact CZ-CB 4.37Å; F368-H372 AromaticContact CZ-CD2 3.93Å; F368-H372 PolarHBondContact O-CD2 3.33Å; F368-H372 PolarHBondContact O-N 3.3Å; H372-D386 IonicContact ND1-OD2 3.16Å; H372-D386 PolarHBondContact O-N 3.09Å; H372-I389 HydrophobicContact CB-CD1 3.94Å |
| 373 | C | 66.5 | Low | 65.1 | Low | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -105.2 | -17 | -179.1 | -50.4 | 0 | 0 | 0 | 0 | 114.2 | M369 L385 | M369-C373 WeakPolarHBondContact O-CA 3.38Å; M369-C373 WeakPolarHBondContact O-CB 3.17Å; M369-C373 PolarHBondContact O-N 3.41Å; C373-L385 HydrophobicContact CB-CD1 3.88Å |
| 374 | F | 63.9 | Low | 63.4 | Low | 25 Ų | 25 | 69.3 Ų | 69.3 | 11% | 0.11 | 38% | 0.38 | C | S | . | . | trans | -133.8 | 50.3 | -173.4 | -56.7 | -79.5 | 0 | 0 | 0 | 113.3 | M369 Q376 I383 I419 K422 W423 | M369-F374 VanDerWaalsContact O-CD2 3.28Å; M369-F374 WeakPolarHBondContact O-CD2 3.42Å; F374-Q376 PolarHBondContact O-N 2.89Å; F374-I383 HydrophobicContact CD1-CD1 4.19Å; F374-I383 HydrophobicContact CD1-CG1 4.46Å; F374-I383 HydrophobicContact CD1-CG2 3.69Å; F374-I383 HydrophobicContact CE1-CD1 4.45Å; F374-I383 HydrophobicContact CE1-CG2 4.2Å; F374-I419 HydrophobicContact CE2-CG2 3.6Å; F374-I419 HydrophobicContact CZ-CG2 3.97Å; F374-K422 HydrophobicContact CD1-CB 4.04Å; F374-K422 HydrophobicContact CD1-CD 4.24Å; F374-K422 HydrophobicContact CE1-CB 3.49Å; F374-K422 VanDerWaalsContact CE1-CB 3.49Å; F374-K422 HydrophobicContact CE1-CD 4.45Å; F374-K422 HydrophobicContact CZ-CB 4Å; F374-W423 HydrophobicContact CZ-CB 4.21Å; F374-W423 HydrophobicContact CZ-CE3 4.41Å | ||
| 375 | V | 53.6 | Low | 62 | Low | 73 Ų | 73 | 70.4 Ų | 70.4 | 44% | 0.442 | 38% | 0.384 | S | S | . | . | B | Isolated β-bridge | trans | -69.1 | 119.9 | 175.5 | -174.1 | 0 | 0 | 0 | 0 | 109.7 | E371 | E371-V375 VanDerWaalsContact O-CG2 3.24Å; E371-V375 WeakPolarHBondContact O-CG2 3.41Å |
| 376 | Q | 47.2 | Very low | 60.8 | Low | 172 Ų | 172 | 72.2 Ų | 72.2 | 80% | 0.804 | 39% | 0.394 | S | S | * | . | trans | -88.3 | 111.4 | 173.8 | -114.3 | 177.1 | -26.2 | 0 | 0 | 108.6 | F374 | F374-Q376 PolarHBondContact O-N 2.89Š| ||
| 377 | T | 36 | Very low | 59.6 | Low | 83 Ų | 83 | 78.5 Ų | 78.5 | 51% | 0.509 | 43% | 0.434 | S | S | . | . | trans | -86.6 | 133.3 | 164 | 46.1 | 0 | 0 | 0 | 0 | 108.9 | D379 | T377-D379 PolarHBondContact O-N 2.85Š| ||
| 378 | D | 45.2 | Very low | 58.3 | Low | 163 Ų | 163 | 77.4 Ų | 77.4 | 87% | 0.872 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -61.9 | -10 | -161 | -84.8 | -33.7 | 0 | 0 | 0 | 116.9 | ||
| 379 | D | 38.8 | Very low | 57.6 | Low | 145 Ų | 145 | 77.5 Ų | 77.5 | 78% | 0.775 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -125 | 109.6 | 177.3 | -74 | -45.6 | 0 | 0 | 0 | 111.3 | T377 | T377-D379 PolarHBondContact O-N 2.85Š|
| 380 | L | 38.4 | Very low | 56.9 | Low | 148 Ų | 148 | 78.8 Ų | 78.8 | 78% | 0.775 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 74.6 | 122.8 | -176 | -69.8 | 100.7 | 0 | 0 | 0 | 116.6 | V382 | L380-V382 PolarHBondContact O-N 3.11Š|
| 381 | A | 40.7 | Very low | 56.6 | Low | 101 Ų | 101 | 77 Ų | 77 | 84% | 0.835 | 44% | 0.439 | S | S | * | . | trans | -67 | 63.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 382 | V | 46 | Very low | 56.7 | Low | 94 Ų | 94 | 76.8 Ų | 76.8 | 57% | 0.57 | 44% | 0.438 | S | S | * | . | trans | -102.1 | 111.9 | 170.5 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | L380 T384 | L380-V382 PolarHBondContact O-N 3.11Å; V382-T384 HydrophobicContact CG1-CG2 4.31Å; V382-T384 PolarHBondContact O-N 3.14Å | ||
| 383 | I | 50.6 | Low | 57.3 | Low | 53 Ų | 53 | 75.5 Ų | 75.5 | 27% | 0.272 | 43% | 0.433 | S | S | . | . | trans | -68.9 | 116.8 | 172.4 | -61.8 | 167.5 | 0 | 0 | 0 | 107.2 | F374 Y426 | F374-I383 HydrophobicContact CD1-CD1 4.19Å; F374-I383 HydrophobicContact CD1-CG1 4.46Å; F374-I383 HydrophobicContact CD1-CG2 3.69Å; F374-I383 HydrophobicContact CE1-CD1 4.45Å; F374-I383 HydrophobicContact CE1-CG2 4.2Å; I383-Y426 HydrophobicContact CB-CD2 4.08Å; I383-Y426 HydrophobicContact CG2-CD2 4.06Å; I383-Y426 WeakPolarHBondContact O-CE2 3.15Å | ||
| 384 | T | 54.2 | Low | 58 | Low | 71 Ų | 71 | 75.5 Ų | 75.5 | 44% | 0.436 | 43% | 0.433 | S | S | . | . | B | Isolated β-bridge | trans | -109.7 | 134.4 | 174.2 | 46.2 | 0 | 0 | 0 | 0 | 109.6 | V382 | V382-T384 HydrophobicContact CG1-CG2 4.31Å; V382-T384 PolarHBondContact O-N 3.14Å |
| 385 | L | 58.1 | Low | 59 | Low | 32 Ų | 32 | 76.6 Ų | 76.6 | 17% | 0.168 | 44% | 0.443 | C | S | . | . | trans | -90.2 | 143.5 | 176.6 | -142.5 | 82 | 0 | 0 | 0 | 109.4 | C373 P387 I389 V394 W423 | C373-L385 HydrophobicContact CB-CD1 3.88Å; L385-P387 WeakPolarHBondContact O-CD 3.13Å; L385-I389 VanDerWaalsContact CD2-O 3.32Å; L385-I389 WeakPolarHBondContact CD2-O 3.33Å; L385-V394 HydrophobicContact CD1-CG2 4.41Å; L385-V394 HydrophobicContact CD2-CG2 4.2Å; L385-W423 HydrophobicContact CD1-CH2 3.96Å; L385-W423 HydrophobicContact CD1-CZ3 3.48Å; L385-W423 VanDerWaalsContact CD1-CZ3 3.48Å; L385-W423 HydrophobicContact CD2-CH2 4.32Å | ||
| 386 | D | 63.2 | Low | 60.5 | Low | 37 Ų | 37 | 74.7 Ų | 74.7 | 20% | 0.198 | 43% | 0.433 | C | S | . | . | trans | -58.2 | 120.2 | 165.7 | -173.2 | -30.4 | 0 | 0 | 0 | 109.3 | H372 S388 I389 | H372-D386 IonicContact ND1-OD2 3.16Å; H372-D386 PolarHBondContact O-N 3.09Å; D386-S388 PolarHBondContact O-N 3.3Å; D386-S388 VanDerWaalsContact O-N 3.09Å; D386-S388 WeakPolarHBondContact OD1-CB 3.35Å; D386-S388 PolarHBondContact OD1-N 3.19Å; D386-S388 PolarHBondContact OD1-OG 2.93Å; D386-S388 PolarHBondContact OD2-OG 2.98Å; D386-I389 HydrophobicContact CB-CD1 4.38Å; D386-I389 HydrophobicContact CB-CG1 4.49Å; D386-I389 PolarHBondContact O-N 2.88Å; D386-I389 VanDerWaalsContact O-N 3.07Å | ||
| 387 | P | 64.1 | Low | 62.3 | Low | 132 Ų | 132 | 66.6 Ų | 66.6 | 86% | 0.857 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -16.4 | -175.2 | 25.2 | -34.3 | 0 | 0 | 0 | 113.7 | L385 I389 | L385-P387 WeakPolarHBondContact O-CD 3.13Å; P387-I389 VanDerWaalsContact C-N 3.3Å |
| 388 | S | 60.5 | Low | 64.7 | Low | 45 Ų | 45 | 63 Ų | 63 | 32% | 0.315 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -14.8 | 176 | 64.2 | 0 | 0 | 0 | 0 | 113.9 | D386 | D386-S388 PolarHBondContact O-N 3.3Å; D386-S388 VanDerWaalsContact O-N 3.09Å; D386-S388 WeakPolarHBondContact OD1-CB 3.35Å; D386-S388 PolarHBondContact OD1-N 3.19Å; D386-S388 PolarHBondContact OD1-OG 2.93Å; D386-S388 PolarHBondContact OD2-OG 2.98Å |
| 389 | I | 70.1 | Confident | 66.7 | Low | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.015 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -110 | 113.9 | -175.9 | -56.2 | 177.4 | 0 | 0 | 0 | 109.8 | F368 H372 L385 D386 P387 M393 V394 | F368-I389 HydrophobicContact CE1-CD1 4.06Å; F368-I389 HydrophobicContact CZ-CD1 3.84Å; H372-I389 HydrophobicContact CB-CD1 3.94Å; L385-I389 VanDerWaalsContact CD2-O 3.32Å; L385-I389 WeakPolarHBondContact CD2-O 3.33Å; D386-I389 HydrophobicContact CB-CD1 4.38Å; D386-I389 HydrophobicContact CB-CG1 4.49Å; D386-I389 PolarHBondContact O-N 2.88Å; D386-I389 VanDerWaalsContact O-N 3.07Å; P387-I389 VanDerWaalsContact C-N 3.3Å; I389-M393 HydrophobicContact CG2-CB 4.41Å; I389-M393 HydrophobicContact CG2-CG 4.38Å; I389-V394 HydrophobicContact CG2-CG2 4.08Å |
| 390 | P | 70.2 | Confident | 68.8 | Low | 26 Ų | 26 | 50.2 Ų | 50.2 | 17% | 0.169 | 31% | 0.31 | C | S | . | . | trans | -61.8 | 143.6 | 179.6 | -23 | 32.6 | 0 | 0 | 0 | 113.2 | E392 M393 V394 | P390-E392 WeakPolarHBondContact CB-OE2 3.46Å; P390-E392 PolarHBondContact O-N 2.71Å; P390-M393 HydrophobicContact CB-CB 4.35Å; P390-M393 VanDerWaalsContact O-CB 3.27Å; P390-M393 WeakPolarHBondContact O-CB 3.42Å; P390-M393 PolarHBondContact O-N 2.98Å; P390-V394 PolarHBondContact O-N 2.87Å | ||
| 391 | P | 74.3 | Confident | 71.2 | Confident | 60 Ų | 60 | 43.2 Ų | 43.2 | 39% | 0.39 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.4 | -31.7 | 176.4 | -19.8 | 30.5 | 0 | 0 | 0 | 113.5 | M393 V394 S395 W423 | P391-M393 PolarHBondContact O-N 3.32Å; P391-V394 PolarHBondContact O-N 3.49Å; P391-S395 PolarHBondContact O-N 3.25Å; P391-S395 VanDerWaalsContact O-N 3.17Å; P391-S395 PolarHBondContact O-OG 3.44Å; P391-S395 VanDerWaalsContact O-OG 3.11Å; P391-W423 HydrophobicContact CB-CH2 4.08Å; P391-W423 HydrophobicContact CB-CZ2 4.11Å; P391-W423 WeakPolarHBondContact O-CZ2 3.33Å |
| 392 | E | 78.1 | Confident | 73.5 | Confident | 122 Ų | 122 | 42.3 Ų | 42.3 | 57% | 0.57 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64.2 | -33 | 175.7 | -58.8 | 87.7 | -172.9 | 0 | 0 | 111.6 | F339 P390 S395 S396 | F339-E392 HydrophobicContact CE1-CB 4.35Å; P390-E392 WeakPolarHBondContact CB-OE2 3.46Å; P390-E392 PolarHBondContact O-N 2.71Å; E392-S395 PolarHBondContact O-N 3.27Å; E392-S396 PolarHBondContact O-N 2.89Å; E392-S396 PolarHBondContact O-OG 3.48Å |
| 393 | M | 83.4 | Confident | 75.3 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68 | -43.4 | 178.3 | -178 | 46.9 | 166.8 | 0 | 0 | 111.4 | V335 C336 F339 V346 I389 P390 P391 S395 S396 L397 | V335-M393 HydrophobicContact CB-CE 4.42Å; V335-M393 HydrophobicContact CG1-CE 3.68Å; C336-M393 HydrophobicContact CB-CE 4.1Å; C336-M393 HydrophobicContact CB-CG 4.3Å; F339-M393 HydrophobicContact CB-CE 4.43Å; F339-M393 HydrophobicContact CB-CG 4.39Å; F339-M393 HydrophobicContact CB-SD 4.22Å; F339-M393 HydrophobicContact CD1-CB 4.08Å; F339-M393 HydrophobicContact CD2-CE 4.22Å; F339-M393 HydrophobicContact CD2-CG 4.45Å; F339-M393 HydrophobicContact CD2-SD 3.46Å; F339-M393 WeakPolarHBondContact CD2-SD 3.42Å; F339-M393 HydrophobicContact CE1-CB 4.36Å; F339-M393 HydrophobicContact CE2-SD 3.88Å; F339-M393 HydrophobicContact CG-CB 4.21Å; F339-M393 HydrophobicContact CG-CG 4.24Å; F339-M393 HydrophobicContact CG-SD 3.82Å; V346-M393 HydrophobicContact CB-CE 4.28Å; V346-M393 HydrophobicContact CB-SD 4.17Å; V346-M393 HydrophobicContact CG1-CE 3.68Å; V346-M393 HydrophobicContact CG1-SD 3.84Å; V346-M393 HydrophobicContact CG2-CE 3.68Å; V346-M393 HydrophobicContact CG2-SD 3.79Å; I389-M393 HydrophobicContact CG2-CB 4.41Å; I389-M393 HydrophobicContact CG2-CG 4.38Å; P390-M393 HydrophobicContact CB-CB 4.35Å; P390-M393 VanDerWaalsContact O-CB 3.27Å; P390-M393 WeakPolarHBondContact O-CB 3.42Å; P390-M393 PolarHBondContact O-N 2.98Å; P391-M393 PolarHBondContact O-N 3.32Å; M393-S395 VanDerWaalsContact C-N 3.26Å; M393-S395 PolarHBondContact O-N 2.99Å; M393-S396 PolarHBondContact O-N 2.66Å; M393-S396 VanDerWaalsContact O-N 3.15Å; M393-L397 HydrophobicContact CE-CD1 4.48Å; M393-L397 HydrophobicContact CE-CG 4.49Å; M393-L397 HydrophobicContact CG-CD1 4.31Å; M393-L397 PolarHBondContact O-N 2.78Å |
| 394 | V | 81.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.1 | -39.9 | 174.3 | -177.3 | 0 | 0 | 0 | 0 | 111 | L385 I389 P390 P391 L397 L398 W423 | L385-V394 HydrophobicContact CD1-CG2 4.41Å; L385-V394 HydrophobicContact CD2-CG2 4.2Å; I389-V394 HydrophobicContact CG2-CG2 4.08Å; P390-V394 PolarHBondContact O-N 2.87Å; P391-V394 PolarHBondContact O-N 3.49Å; V394-L397 PolarHBondContact O-N 2.7Å; V394-L398 HydrophobicContact CG1-CD1 4.32Å; V394-L398 WeakPolarHBondContact O-CB 3.34Å; V394-L398 PolarHBondContact O-N 2.98Å; V394-L398 VanDerWaalsContact O-N 3.08Å; V394-W423 HydrophobicContact CB-CH2 4Å; V394-W423 HydrophobicContact CB-CZ2 3.82Å; V394-W423 HydrophobicContact CB-CZ3 4.47Å; V394-W423 HydrophobicContact CG1-CD2 3.82Å; V394-W423 HydrophobicContact CG1-CE3 3.92Å; V394-W423 HydrophobicContact CG1-CG 4.46Å; V394-W423 HydrophobicContact CG1-CH2 4.07Å; V394-W423 HydrophobicContact CG1-CZ2 3.95Å; V394-W423 HydrophobicContact CG1-CZ3 4.06Å; V394-W423 HydrophobicContact CG2-CH2 4.32Å |
| 395 | S | 85.6 | Confident | 78.2 | Confident | 48 Ų | 48 | 38 Ų | 38 | 34% | 0.336 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.1 | -38.6 | 176.7 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | P391 E392 M393 A399 W423 | P391-S395 PolarHBondContact O-N 3.25Å; P391-S395 VanDerWaalsContact O-N 3.17Å; P391-S395 PolarHBondContact O-OG 3.44Å; P391-S395 VanDerWaalsContact O-OG 3.11Å; E392-S395 PolarHBondContact O-N 3.27Å; M393-S395 VanDerWaalsContact C-N 3.26Å; M393-S395 PolarHBondContact O-N 2.99Å; S395-A399 WeakPolarHBondContact O-CB 3.47Å; S395-A399 PolarHBondContact O-N 3.32Å; S395-W423 PolarHBondContact OG-NE1 3.25Å; S395-W423 VanDerWaalsContact OG-NE1 3.1Å |
| 396 | S | 83.5 | Confident | 79.3 | Confident | 32 Ų | 32 | 41.2 Ų | 41.2 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.9 | -40.3 | 177 | -58 | 0 | 0 | 0 | 0 | 112.4 | E392 M393 L398 A399 G400 | E392-S396 PolarHBondContact O-N 2.89Å; E392-S396 PolarHBondContact O-OG 3.48Å; M393-S396 PolarHBondContact O-N 2.66Å; M393-S396 VanDerWaalsContact O-N 3.15Å; S396-L398 PolarHBondContact O-N 2.97Å; S396-A399 PolarHBondContact O-N 3Å; S396-G400 PolarHBondContact O-N 2.87Å |
| 397 | L | 86.2 | Confident | 80.2 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.9 | -48 | 171.9 | -83.7 | 156.9 | 0 | 0 | 0 | 111.8 | I332 V346 I350 M369 M393 V394 G400 L401 | I332-L397 HydrophobicContact CG2-CD2 4.13Å; V346-L397 HydrophobicContact CG1-CG 4.46Å; I350-L397 HydrophobicContact CD1-CB 4.26Å; I350-L397 HydrophobicContact CD1-CD2 3.47Å; I350-L397 VanDerWaalsContact CD1-CD2 3.47Å; I350-L397 HydrophobicContact CD1-CG 4.08Å; M369-L397 HydrophobicContact SD-CB 4.1Å; M393-L397 HydrophobicContact CE-CD1 4.48Å; M393-L397 HydrophobicContact CE-CG 4.49Å; M393-L397 HydrophobicContact CG-CD1 4.31Å; M393-L397 PolarHBondContact O-N 2.78Å; V394-L397 PolarHBondContact O-N 2.7Å; L397-G400 PolarHBondContact O-N 3.4Å; L397-L401 PolarHBondContact O-N 3.12Å; L397-L401 VanDerWaalsContact O-N 3.13Å |
| 398 | L | 86.8 | Confident | 81.2 | Confident | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -42.8 | 176.8 | -97 | 154.4 | 0 | 0 | 0 | 112.3 | M369 V394 S396 L401 Q402 V416 I419 A420 W423 | M369-L398 HydrophobicContact SD-CG 4.08Å; V394-L398 HydrophobicContact CG1-CD1 4.32Å; V394-L398 WeakPolarHBondContact O-CB 3.34Å; V394-L398 PolarHBondContact O-N 2.98Å; V394-L398 VanDerWaalsContact O-N 3.08Å; S396-L398 PolarHBondContact O-N 2.97Å; L398-L401 PolarHBondContact O-N 3.04Å; L398-Q402 WeakPolarHBondContact O-CB 3.31Å; L398-Q402 VanDerWaalsContact O-CG 3.26Å; L398-Q402 WeakPolarHBondContact O-CG 3.23Å; L398-Q402 PolarHBondContact O-N 3.4Å; L398-V416 HydrophobicContact CD2-CG1 4.41Å; L398-I419 HydrophobicContact CD1-CG2 4.25Å; L398-I419 HydrophobicContact CD2-CG2 4.17Å; L398-I419 HydrophobicContact CG-CG2 4.4Å; L398-A420 HydrophobicContact CD2-CB 3.6Å; L398-W423 HydrophobicContact CD1-CB 3.79Å; L398-W423 HydrophobicContact CD1-CG 3.73Å |
| 399 | A | 85.8 | Confident | 82.4 | Confident | 41 Ų | 41 | 37.2 Ų | 37.2 | 34% | 0.339 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | D347 S395 S396 Q402 S403 | D347-A399 HydrophobicContact CB-CB 4.29Å; S395-A399 WeakPolarHBondContact O-CB 3.47Å; S395-A399 PolarHBondContact O-N 3.32Å; S396-A399 PolarHBondContact O-N 3Å; A399-Q402 PolarHBondContact O-N 3.43Å; A399-S403 WeakPolarHBondContact O-CB 3.4Å; A399-S403 PolarHBondContact O-N 3.2Å; A399-S403 PolarHBondContact O-OG 2.94Å |
| 400 | G | 84.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.4 | -35.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D347 S396 L397 S403 S404 | D347-G400 WeakPolarHBondContact O-CA 3.41Å; S396-G400 PolarHBondContact O-N 2.87Å; L397-G400 PolarHBondContact O-N 3.4Å; G400-S403 PolarHBondContact O-OG 3.43Å; G400-S404 PolarHBondContact O-N 3.2Å; G400-S404 PolarHBondContact O-OG 3.41Å |
| 401 | L | 88.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70 | -40.4 | 173.2 | -76.8 | 164.8 | 0 | 0 | 0 | 112.2 | I350 I354 A362 C365 I366 M369 L397 L398 S404 V416 | I350-L401 HydrophobicContact CG2-CG 4.47Å; I354-L401 HydrophobicContact CD1-CD2 3.85Å; A362-L401 HydrophobicContact CB-CD2 3.84Å; C365-L401 HydrophobicContact CB-CD1 3.84Å; C365-L401 HydrophobicContact CB-CD2 4.07Å; C365-L401 HydrophobicContact CB-CG 4.29Å; I366-L401 HydrophobicContact CG1-CD1 4.32Å; M369-L401 HydrophobicContact CE-CD1 3.2Å; M369-L401 HydrophobicContact SD-CD1 4.37Å; L397-L401 PolarHBondContact O-N 3.12Å; L397-L401 VanDerWaalsContact O-N 3.13Å; L398-L401 PolarHBondContact O-N 3.04Å; L401-S404 PolarHBondContact O-N 3.26Å; L401-V416 HydrophobicContact CB-CG1 3.97Å; L401-V416 HydrophobicContact CB-CG2 4.06Å; L401-V416 HydrophobicContact CD1-CG2 4.4Å; L401-V416 HydrophobicContact CD2-CG2 4.43Å |
| 402 | Q | 87.7 | Confident | 84.4 | Confident | 83 Ų | 83 | 48.2 Ų | 48.2 | 39% | 0.388 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.5 | -38.7 | 179.8 | -75 | 176.1 | -19.9 | 0 | 0 | 112.8 | L398 A399 S404 S405 V416 | L398-Q402 WeakPolarHBondContact O-CB 3.31Å; L398-Q402 VanDerWaalsContact O-CG 3.26Å; L398-Q402 WeakPolarHBondContact O-CG 3.23Å; L398-Q402 PolarHBondContact O-N 3.4Å; A399-Q402 PolarHBondContact O-N 3.43Å; Q402-S404 PolarHBondContact O-N 3.44Å; Q402-S405 VanDerWaalsContact O-CB 3.3Å; Q402-S405 WeakPolarHBondContact O-CB 3.31Å; Q402-S405 PolarHBondContact O-N 2.84Å; Q402-S405 PolarHBondContact O-OG 3.42Å; Q402-V416 HydrophobicContact CG-CG1 3.84Å |
| 403 | S | 84.2 | Confident | 84.9 | Confident | 71 Ų | 71 | 44.1 Ų | 44.1 | 50% | 0.497 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.1 | -26.8 | 174.9 | 65.1 | 0 | 0 | 0 | 0 | 112.1 | A399 G400 | A399-S403 WeakPolarHBondContact O-CB 3.4Å; A399-S403 PolarHBondContact O-N 3.2Å; A399-S403 PolarHBondContact O-OG 2.94Å; G400-S403 PolarHBondContact O-OG 3.43Å |
| 404 | S | 84.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 5.9 | 179.1 | -51.7 | 0 | 0 | 0 | 0 | 114 | H351 G400 L401 Q402 A406 V407 L408 | H351-S404 PolarHBondContact ND1-OG 3.42Å; G400-S404 PolarHBondContact O-N 3.2Å; G400-S404 PolarHBondContact O-OG 3.41Å; L401-S404 PolarHBondContact O-N 3.26Å; Q402-S404 PolarHBondContact O-N 3.44Å; S404-A406 PolarHBondContact O-N 3.15Å; S404-V407 PolarHBondContact O-N 3.25Å; S404-L408 WeakPolarHBondContact O-CG 3.28Å |
| 405 | S | 81.8 | Confident | 85.3 | Confident | 56 Ų | 56 | 49.6 Ų | 49.6 | 39% | 0.392 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -29.1 | -173.9 | 57.6 | 0 | 0 | 0 | 0 | 114.8 | Q402 V407 L408 N413 | Q402-S405 VanDerWaalsContact O-CB 3.3Å; Q402-S405 WeakPolarHBondContact O-CB 3.31Å; Q402-S405 PolarHBondContact O-N 2.84Å; Q402-S405 PolarHBondContact O-OG 3.42Å; S405-V407 VanDerWaalsContact C-N 3.27Å; S405-V407 PolarHBondContact O-N 3.41Å; S405-L408 PolarHBondContact O-N 2.9Å; S405-N413 VanDerWaalsContact CA-OD1 3.24Å; S405-N413 WeakPolarHBondContact CA-OD1 3.39Å; S405-N413 VanDerWaalsContact CB-OD1 3.27Å; S405-N413 WeakPolarHBondContact CB-OD1 3.36Å; S405-N413 PolarHBondContact O-ND2 3.01Å |
| 406 | A | 79.7 | Confident | 85.4 | Confident | 100 Ų | 100 | 47.4 Ų | 47.4 | 83% | 0.826 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -24.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S404 | S404-A406 PolarHBondContact O-N 3.15Š|
| 407 | V | 81.7 | Confident | 85.6 | Confident | 78 Ų | 78 | 51.6 Ų | 51.6 | 47% | 0.473 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -17.2 | -176.3 | -171.7 | 0 | 0 | 0 | 0 | 111.6 | S404 S405 | S404-V407 PolarHBondContact O-N 3.25Å; S405-V407 VanDerWaalsContact C-N 3.27Å; S405-V407 PolarHBondContact O-N 3.41Å |
| 408 | L | 85.8 | Confident | 85.5 | Confident | 11 Ų | 11 | 54.3 Ų | 54.3 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -92.8 | 140.8 | -173.8 | -59.7 | 174.3 | 0 | 0 | 0 | 112 | I354 E359 A362 S404 S405 I412 N413 | I354-L408 HydrophobicContact CG2-CD2 3.84Å; E359-L408 HydrophobicContact CG-CD2 4.18Å; A362-L408 HydrophobicContact CB-CD1 4.17Å; A362-L408 HydrophobicContact CB-CD2 3.38Å; A362-L408 HydrophobicContact CB-CG 4.42Å; S404-L408 WeakPolarHBondContact O-CG 3.28Å; S405-L408 PolarHBondContact O-N 2.9Å; L408-I412 HydrophobicContact CB-CB 4.24Å; L408-I412 HydrophobicContact CB-CG2 4.03Å; L408-I412 HydrophobicContact CD1-CG2 3.87Å; L408-I412 HydrophobicContact CD2-CG2 4.16Å; L408-I412 HydrophobicContact CG-CG2 4.22Å; L408-N413 PolarHBondContact O-ND2 2.61Å; L408-N413 VanDerWaalsContact O-ND2 3.13Å |
| 409 | S | 85.8 | Confident | 85.3 | Confident | 41 Ų | 41 | 54 Ų | 54 | 29% | 0.287 | 32% | 0.315 | S | S | . | . | trans | -57.7 | 151.5 | 172.4 | 60.6 | 0 | 0 | 0 | 0 | 112.2 | E359 K411 I412 N413 | E359-S409 WeakPolarHBondContact OE1-CA 3.07Å; E359-S409 WeakPolarHBondContact OE1-CB 2.95Å; E359-S409 PolarHBondContact OE1-N 2.87Å; E359-S409 PolarHBondContact OE1-OG 3.18Å; E359-S409 VanDerWaalsContact OE2-CB 3.27Å; E359-S409 WeakPolarHBondContact OE2-CB 3.19Å; E359-S409 PolarHBondContact OE2-OG 2.52Å; S409-K411 PolarHBondContact O-N 3.1Å; S409-K411 VanDerWaalsContact O-N 3.09Å; S409-I412 PolarHBondContact O-N 2.91Å; S409-N413 PolarHBondContact O-N 3.43Å | ||
| 410 | I | 84.5 | Confident | 85.2 | Confident | 134 Ų | 134 | 52.2 Ų | 52.2 | 69% | 0.687 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -52.9 | -36.7 | -179.3 | -63.2 | 168.1 | 0 | 0 | 0 | 111.4 | N414 | I410-N414 WeakPolarHBondContact O-CB 3.21Å; I410-N414 PolarHBondContact O-N 2.9Å; I410-N414 PolarHBondContact O-ND2 3.21Å; I410-N414 PolarHBondContact O-OD1 3.24Å |
| 411 | K | 84.8 | Confident | 85.1 | Confident | 179 Ų | 179 | 55.8 Ų | 55.8 | 78% | 0.778 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.6 | -45.7 | 176.1 | -89.4 | -172.6 | 174.9 | -178.8 | 0 | 112.5 | S409 A415 | S409-K411 PolarHBondContact O-N 3.1Å; S409-K411 VanDerWaalsContact O-N 3.09Å; K411-A415 PolarHBondContact O-N 3.34Å |
| 412 | I | 87.8 | Confident | 84.6 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.4 | -46.7 | -179.7 | -65.9 | -177.7 | 0 | 0 | 0 | 109.6 | E359 A362 I366 L408 S409 N414 A415 V416 | E359-I412 HydrophobicContact CB-CD1 3.64Å; E359-I412 HydrophobicContact CG-CD1 3.89Å; E359-I412 WeakPolarHBondContact OE2-CD1 3.46Å; A362-I412 HydrophobicContact CB-CG2 4.18Å; I366-I412 HydrophobicContact CD1-CB 4.45Å; I366-I412 HydrophobicContact CD1-CG2 3.5Å; L408-I412 HydrophobicContact CB-CB 4.24Å; L408-I412 HydrophobicContact CB-CG2 4.03Å; L408-I412 HydrophobicContact CD1-CG2 3.87Å; L408-I412 HydrophobicContact CD2-CG2 4.16Å; L408-I412 HydrophobicContact CG-CG2 4.22Å; S409-I412 PolarHBondContact O-N 2.91Å; I412-N414 VanDerWaalsContact C-N 3.33Å; I412-N414 PolarHBondContact O-N 2.88Å; I412-A415 WeakPolarHBondContact O-CA 3.25Å; I412-A415 WeakPolarHBondContact O-CB 3.36Å; I412-A415 PolarHBondContact O-N 3.03Å; I412-V416 HydrophobicContact CG2-CG2 4.41Å; I412-V416 WeakPolarHBondContact O-CG2 3.36Å; I412-V416 PolarHBondContact O-N 3.46Å |
| 413 | N | 87.9 | Confident | 84.3 | Confident | 37 Ų | 37 | 57.3 Ų | 57.3 | 20% | 0.198 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.8 | -44.2 | 176.6 | -84.2 | -32.5 | 0 | 0 | 0 | 112.8 | S405 L408 S409 A415 V416 E417 | S405-N413 VanDerWaalsContact CA-OD1 3.24Å; S405-N413 WeakPolarHBondContact CA-OD1 3.39Å; S405-N413 VanDerWaalsContact CB-OD1 3.27Å; S405-N413 WeakPolarHBondContact CB-OD1 3.36Å; S405-N413 PolarHBondContact O-ND2 3.01Å; L408-N413 PolarHBondContact O-ND2 2.61Å; L408-N413 VanDerWaalsContact O-ND2 3.13Å; S409-N413 PolarHBondContact O-N 3.43Å; N413-A415 VanDerWaalsContact C-N 3.27Å; N413-A415 PolarHBondContact O-N 3.26Å; N413-V416 PolarHBondContact O-N 3.47Å; N413-E417 PolarHBondContact O-N 2.87Å |
| 414 | N | 87.6 | Confident | 84 | Confident | 95 Ų | 95 | 60 Ų | 60 | 51% | 0.508 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61 | -37 | 175.8 | -69.9 | -12.3 | 0 | 0 | 0 | 112.1 | I410 I412 S418 | I410-N414 WeakPolarHBondContact O-CB 3.21Å; I410-N414 PolarHBondContact O-N 2.9Å; I410-N414 PolarHBondContact O-ND2 3.21Å; I410-N414 PolarHBondContact O-OD1 3.24Å; I412-N414 VanDerWaalsContact C-N 3.33Å; I412-N414 PolarHBondContact O-N 2.88Å; N414-S418 WeakPolarHBondContact O-CB 3.47Å; N414-S418 PolarHBondContact O-N 2.88Å |
| 415 | A | 87 | Confident | 83.4 | Confident | 20 Ų | 20 | 62.7 Ų | 62.7 | 17% | 0.165 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -70.4 | -40 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I366 K411 I412 N413 S418 I419 | I366-A415 HydrophobicContact CD1-CB 4.13Å; I366-A415 HydrophobicContact CG2-CB 4.12Å; K411-A415 PolarHBondContact O-N 3.34Å; I412-A415 WeakPolarHBondContact O-CA 3.25Å; I412-A415 WeakPolarHBondContact O-CB 3.36Å; I412-A415 PolarHBondContact O-N 3.03Å; N413-A415 VanDerWaalsContact C-N 3.27Å; N413-A415 PolarHBondContact O-N 3.26Å; A415-S418 WeakPolarHBondContact O-CB 3.25Å; A415-S418 PolarHBondContact O-N 2.96Å; A415-I419 WeakPolarHBondContact O-CG1 3.47Å; A415-I419 PolarHBondContact O-N 2.76Å |
| 416 | V | 87.4 | Confident | 82.9 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.018 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 173.2 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | I366 L398 L401 Q402 I412 N413 S418 I419 A420 | I366-V416 HydrophobicContact CD1-CG2 3.62Å; I366-V416 HydrophobicContact CG1-CG2 3.98Å; L398-V416 HydrophobicContact CD2-CG1 4.41Å; L401-V416 HydrophobicContact CB-CG1 3.97Å; L401-V416 HydrophobicContact CB-CG2 4.06Å; L401-V416 HydrophobicContact CD1-CG2 4.4Å; L401-V416 HydrophobicContact CD2-CG2 4.43Å; Q402-V416 HydrophobicContact CG-CG1 3.84Å; I412-V416 HydrophobicContact CG2-CG2 4.41Å; I412-V416 WeakPolarHBondContact O-CG2 3.36Å; I412-V416 PolarHBondContact O-N 3.46Å; N413-V416 PolarHBondContact O-N 3.47Å; V416-S418 VanDerWaalsContact C-N 3.32Å; V416-S418 PolarHBondContact O-N 3.44Å; V416-I419 PolarHBondContact O-N 2.75Å; V416-A420 WeakPolarHBondContact O-CB 3.36Å; V416-A420 PolarHBondContact O-N 3.18Å |
| 417 | E | 86.7 | Confident | 82.4 | Confident | 120 Ų | 120 | 62 Ų | 62 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.5 | -38.1 | 175.5 | -94.3 | -178.6 | 145 | 0 | 0 | 112.7 | N413 A420 T421 | N413-E417 PolarHBondContact O-N 2.87Å; E417-A420 PolarHBondContact O-N 2.91Å; E417-T421 WeakPolarHBondContact O-CB 3.41Å; E417-T421 WeakPolarHBondContact O-CG2 3.38Å; E417-T421 PolarHBondContact O-N 3.46Å; E417-T421 PolarHBondContact O-OG1 3.32Å |
| 418 | S | 84.1 | Confident | 81.6 | Confident | 58 Ų | 58 | 62.9 Ų | 62.9 | 41% | 0.406 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 174.4 | 177.8 | 0 | 0 | 0 | 0 | 112.5 | N414 A415 V416 T421 K422 | N414-S418 WeakPolarHBondContact O-CB 3.47Å; N414-S418 PolarHBondContact O-N 2.88Å; A415-S418 WeakPolarHBondContact O-CB 3.25Å; A415-S418 PolarHBondContact O-N 2.96Å; V416-S418 VanDerWaalsContact C-N 3.32Å; V416-S418 PolarHBondContact O-N 3.44Å; S418-T421 WeakPolarHBondContact CA-OG1 3.4Å; S418-T421 PolarHBondContact O-OG1 3.05Å; S418-K422 WeakPolarHBondContact O-CG 3.39Å; S418-K422 PolarHBondContact O-N 3.45Å |
| 419 | I | 83.7 | Confident | 79.8 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.2 | -43.4 | 175.4 | -70.5 | 174.2 | 0 | 0 | 0 | 110.4 | I366 M369 K370 F374 L398 A415 V416 T421 K422 W423 | I366-I419 HydrophobicContact CB-CD1 4.28Å; I366-I419 HydrophobicContact CG1-CD1 4.47Å; I366-I419 HydrophobicContact CG2-CD1 3.73Å; M369-I419 HydrophobicContact CB-CD1 4.28Å; M369-I419 HydrophobicContact CE-CD1 3.95Å; M369-I419 HydrophobicContact CE-CG2 4.16Å; M369-I419 HydrophobicContact SD-CG2 4.19Å; K370-I419 HydrophobicContact CG-CD1 3.9Å; K370-I419 HydrophobicContact CG-CG1 4.35Å; F374-I419 HydrophobicContact CE2-CG2 3.6Å; F374-I419 HydrophobicContact CZ-CG2 3.97Å; L398-I419 HydrophobicContact CD1-CG2 4.25Å; L398-I419 HydrophobicContact CD2-CG2 4.17Å; L398-I419 HydrophobicContact CG-CG2 4.4Å; A415-I419 WeakPolarHBondContact O-CG1 3.47Å; A415-I419 PolarHBondContact O-N 2.76Å; V416-I419 PolarHBondContact O-N 2.75Å; I419-T421 VanDerWaalsContact C-N 3.27Å; I419-T421 PolarHBondContact O-N 3.43Å; I419-K422 PolarHBondContact O-N 2.84Å; I419-W423 WeakPolarHBondContact O-CB 3.33Å; I419-W423 PolarHBondContact O-N 3.25Å |
| 420 | A | 83.2 | Confident | 77.5 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 3% | 0.025 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.1 | -35.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L398 V416 E417 R424 | L398-A420 HydrophobicContact CD2-CB 3.6Å; V416-A420 WeakPolarHBondContact O-CB 3.36Å; V416-A420 PolarHBondContact O-N 3.18Å; E417-A420 PolarHBondContact O-N 2.91Å; A420-R424 WeakPolarHBondContact O-CB 3.42Å; A420-R424 WeakPolarHBondContact O-CG 3.37Å; A420-R424 PolarHBondContact O-N 3.43Å |
| 421 | T | 81.3 | Confident | 75 | Confident | 74 Ų | 74 | 67.5 Ų | 67.5 | 45% | 0.454 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.2 | -43.9 | 174.7 | 44.3 | 0 | 0 | 0 | 0 | 111.9 | E417 S418 I419 R424 A425 | E417-T421 WeakPolarHBondContact O-CB 3.41Å; E417-T421 WeakPolarHBondContact O-CG2 3.38Å; E417-T421 PolarHBondContact O-N 3.46Å; E417-T421 PolarHBondContact O-OG1 3.32Å; S418-T421 WeakPolarHBondContact CA-OG1 3.4Å; S418-T421 PolarHBondContact O-OG1 3.05Å; I419-T421 VanDerWaalsContact C-N 3.27Å; I419-T421 PolarHBondContact O-N 3.43Å; T421-R424 PolarHBondContact O-N 3.19Å; T421-A425 PolarHBondContact O-N 2.85Å |
| 422 | K | 78.9 | Confident | 72.3 | Confident | 105 Ų | 105 | 64 Ų | 64 | 46% | 0.457 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 173 | -71.3 | -178.1 | 178.6 | -171.9 | 0 | 112.4 | F374 S418 I419 A425 Y426 | F374-K422 HydrophobicContact CD1-CB 4.04Å; F374-K422 HydrophobicContact CD1-CD 4.24Å; F374-K422 HydrophobicContact CE1-CB 3.49Å; F374-K422 VanDerWaalsContact CE1-CB 3.49Å; F374-K422 HydrophobicContact CE1-CD 4.45Å; F374-K422 HydrophobicContact CZ-CB 4Å; S418-K422 WeakPolarHBondContact O-CG 3.39Å; S418-K422 PolarHBondContact O-N 3.45Å; I419-K422 PolarHBondContact O-N 2.84Å; K422-A425 WeakPolarHBondContact O-CB 3.32Å; K422-A425 PolarHBondContact O-N 3.37Å; K422-Y426 PolarHBondContact O-N 2.88Å |
| 423 | W | 80.9 | Confident | 69.5 | Low | 10 Ų | 10 | 70.6 Ų | 70.6 | 4% | 0.038 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 177.9 | -174.5 | -122.1 | 0 | 0 | 0 | 112.5 | F374 L385 P391 V394 S395 L398 I419 A425 Y426 L427 | F374-W423 HydrophobicContact CZ-CB 4.21Å; F374-W423 HydrophobicContact CZ-CE3 4.41Å; L385-W423 HydrophobicContact CD1-CH2 3.96Å; L385-W423 HydrophobicContact CD1-CZ3 3.48Å; L385-W423 VanDerWaalsContact CD1-CZ3 3.48Å; L385-W423 HydrophobicContact CD2-CH2 4.32Å; P391-W423 HydrophobicContact CB-CH2 4.08Å; P391-W423 HydrophobicContact CB-CZ2 4.11Å; P391-W423 WeakPolarHBondContact O-CZ2 3.33Å; V394-W423 HydrophobicContact CB-CH2 4Å; V394-W423 HydrophobicContact CB-CZ2 3.82Å; V394-W423 HydrophobicContact CB-CZ3 4.47Å; V394-W423 HydrophobicContact CG1-CD2 3.82Å; V394-W423 HydrophobicContact CG1-CE3 3.92Å; V394-W423 HydrophobicContact CG1-CG 4.46Å; V394-W423 HydrophobicContact CG1-CH2 4.07Å; V394-W423 HydrophobicContact CG1-CZ2 3.95Å; V394-W423 HydrophobicContact CG1-CZ3 4.06Å; V394-W423 HydrophobicContact CG2-CH2 4.32Å; S395-W423 PolarHBondContact OG-NE1 3.25Å; S395-W423 VanDerWaalsContact OG-NE1 3.1Å; L398-W423 HydrophobicContact CD1-CB 3.79Å; L398-W423 HydrophobicContact CD1-CG 3.73Å; I419-W423 WeakPolarHBondContact O-CB 3.33Å; I419-W423 PolarHBondContact O-N 3.25Å; W423-A425 VanDerWaalsContact C-N 3.3Å; W423-A425 PolarHBondContact O-N 3.46Å; W423-Y426 HydrophobicContact CE3-CD1 4.05Å; W423-Y426 HydrophobicContact CE3-CG 4.5Å; W423-Y426 AromaticContact CH2-CD1 3.98Å; W423-Y426 HydrophobicContact CH2-CD1 3.98Å; W423-Y426 HydrophobicContact CH2-CE1 4.08Å; W423-Y426 AromaticContact CZ3-CD1 3.54Å; W423-Y426 HydrophobicContact CZ3-CD1 3.54Å; W423-Y426 AromaticContact CZ3-CE1 3.94Å; W423-Y426 HydrophobicContact CZ3-CE1 3.94Å; W423-Y426 HydrophobicContact CZ3-CG 4.27Å; W423-Y426 WeakPolarHBondContact O-CB 3.5Å; W423-Y426 PolarHBondContact O-N 2.93Å; W423-L427 HydrophobicContact CZ2-CD2 4.3Å; W423-L427 HydrophobicContact CZ2-CG 4.47Å; W423-L427 PolarHBondContact O-N 3.39Å |
| 424 | R | 78.4 | Confident | 66.4 | Low | 127 Ų | 127 | 76.9 Ų | 76.9 | 48% | 0.479 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.9 | -39.9 | 173.6 | -84.8 | -177.6 | -106.3 | 107.8 | -3.9 | 112.1 | A420 T421 L427 T428 | A420-R424 WeakPolarHBondContact O-CB 3.42Å; A420-R424 WeakPolarHBondContact O-CG 3.37Å; A420-R424 PolarHBondContact O-N 3.43Å; T421-R424 PolarHBondContact O-N 3.19Å; R424-L427 PolarHBondContact O-N 2.96Å; R424-T428 PolarHBondContact O-N 3.33Å; R424-T428 PolarHBondContact O-OG1 3.28Å |
| 425 | A | 72.2 | Confident | 63.5 | Low | 57 Ų | 57 | 77.3 Ų | 77.3 | 47% | 0.471 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T421 K422 W423 T428 A429 | T421-A425 PolarHBondContact O-N 2.85Å; K422-A425 WeakPolarHBondContact O-CB 3.32Å; K422-A425 PolarHBondContact O-N 3.37Å; W423-A425 VanDerWaalsContact C-N 3.3Å; W423-A425 PolarHBondContact O-N 3.46Å; A425-T428 PolarHBondContact O-N 3.27Å; A425-A429 PolarHBondContact O-N 3.29Å |
| 426 | Y | 71.6 | Confident | 60.5 | Low | 63 Ų | 63 | 83.2 Ų | 83.2 | 25% | 0.247 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -59.2 | -51.4 | 174.6 | 176.2 | -97.2 | 0 | 0 | 0 | 112.3 | I383 K422 W423 T428 A429 S430 | I383-Y426 HydrophobicContact CB-CD2 4.08Å; I383-Y426 HydrophobicContact CG2-CD2 4.06Å; I383-Y426 WeakPolarHBondContact O-CE2 3.15Å; K422-Y426 PolarHBondContact O-N 2.88Å; W423-Y426 HydrophobicContact CE3-CD1 4.05Å; W423-Y426 HydrophobicContact CE3-CG 4.5Å; W423-Y426 AromaticContact CH2-CD1 3.98Å; W423-Y426 HydrophobicContact CH2-CD1 3.98Å; W423-Y426 HydrophobicContact CH2-CE1 4.08Å; W423-Y426 AromaticContact CZ3-CD1 3.54Å; W423-Y426 HydrophobicContact CZ3-CD1 3.54Å; W423-Y426 AromaticContact CZ3-CE1 3.94Å; W423-Y426 HydrophobicContact CZ3-CE1 3.94Å; W423-Y426 HydrophobicContact CZ3-CG 4.27Å; W423-Y426 WeakPolarHBondContact O-CB 3.5Å; W423-Y426 PolarHBondContact O-N 2.93Å; Y426-T428 PolarHBondContact O-N 2.83Å; Y426-A429 PolarHBondContact O-N 2.89Å; Y426-A429 VanDerWaalsContact O-N 3.16Å; Y426-S430 PolarHBondContact O-N 3.4Å |
| 427 | L | 69 | Low | 57.4 | Low | 78 Ų | 78 | 86.1 Ų | 86.1 | 41% | 0.408 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.6 | -29.9 | 177.7 | -71.5 | 171.5 | 0 | 0 | 0 | 113 | W423 R424 V431 | W423-L427 HydrophobicContact CZ2-CD2 4.3Å; W423-L427 HydrophobicContact CZ2-CG 4.47Å; W423-L427 PolarHBondContact O-N 3.39Å; R424-L427 PolarHBondContact O-N 2.96Å; L427-V431 WeakPolarHBondContact O-CG2 3.29Å |
| 428 | T | 63.9 | Low | 55.2 | Low | 98 Ų | 98 | 86 Ų | 86 | 60% | 0.601 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -78.8 | -34.3 | 179.6 | -45.4 | 0 | 0 | 0 | 0 | 111.9 | R424 A425 Y426 | R424-T428 PolarHBondContact O-N 3.33Å; R424-T428 PolarHBondContact O-OG1 3.28Å; A425-T428 PolarHBondContact O-N 3.27Å; Y426-T428 PolarHBondContact O-N 2.83Å |
| 429 | A | 48 | Very low | 52.1 | Low | 78 Ų | 78 | 92.5 Ų | 92.5 | 65% | 0.645 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.3 | -32 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | A425 Y426 V431 | A425-A429 PolarHBondContact O-N 3.29Å; Y426-A429 PolarHBondContact O-N 2.89Å; Y426-A429 VanDerWaalsContact O-N 3.16Å; A429-V431 VanDerWaalsContact C-N 3.27Å; A429-V431 PolarHBondContact O-N 3.47Å |
| 430 | S | 38.1 | Very low | 49.1 | Very low | 87 Ų | 87 | 99.3 Ų | 99.3 | 61% | 0.608 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -3.2 | -178.1 | -66.2 | 0 | 0 | 0 | 0 | 115.3 | Y426 | Y426-S430 PolarHBondContact O-N 3.4Š|
| 431 | V | 33.2 | Very low | 46.2 | Very low | 118 Ų | 118 | 108.7 Ų | 108.7 | 72% | 0.715 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | -4.7 | -170.3 | 179.4 | 0 | 0 | 0 | 0 | 114 | L427 A429 V433 | L427-V431 WeakPolarHBondContact O-CG2 3.29Å; A429-V431 VanDerWaalsContact C-N 3.27Å; A429-V431 PolarHBondContact O-N 3.47Å; V431-V433 PolarHBondContact O-N 3.14Å |
| 432 | V | 27.6 | Very low | 43.3 | Very low | 106 Ų | 106 | 109.1 Ų | 109.1 | 64% | 0.642 | 63% | 0.627 | S | S | * | * | trans | -90.9 | 87.1 | -177.9 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | E434 | V432-E434 HydrophobicContact CG1-CG 4.36Š| ||
| 433 | V | 27.9 | Very low | 40.5 | Very low | 144 Ų | 144 | 112.9 Ų | 112.9 | 87% | 0.873 | 65% | 0.646 | S | S | * | * | trans | -111.1 | 88 | 156 | -179.9 | 0 | 0 | 0 | 0 | 107 | V431 | V431-V433 PolarHBondContact O-N 3.14Š| ||
| 434 | E | 24.6 | Very low | 37.6 | Very low | 168 Ų | 168 | 116.2 Ų | 116.2 | 79% | 0.785 | 68% | 0.676 | S | S | * | * | trans | -73.6 | 126 | 175.6 | -98.1 | -176.3 | 161.6 | 0 | 0 | 111.4 | V432 | V432-E434 HydrophobicContact CG1-CG 4.36Š| ||
| 435 | S | 25.6 | Very low | 34.9 | Very low | 105 Ų | 105 | 117.4 Ų | 117.4 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | trans | -44.7 | 130.1 | 158 | 52.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 436 | V | 23.4 | Very low | 32.4 | Very low | 144 Ų | 144 | 123.1 Ų | 123.1 | 87% | 0.873 | 71% | 0.709 | S | S | * | * | trans | -156 | 114.9 | 140.5 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 437 | G | 22.8 | Very low | 30.2 | Very low | 63 Ų | 63 | 125.8 Ų | 125.8 | 65% | 0.649 | 73% | 0.734 | S | S | * | * | 43.7 | 136.9 | 120.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 438 | P | 41.1 | Very low | 27.9 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -84.6 | 133.6 | 170.7 | 34.4 | -28.3 | 0 | 0 | 0 | 110.2 | ||||
| 439 | F | 19.1 | Very low | 25.9 | Very low | 193 Ų | 193 | 131 Ų | 131 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | 175.9 | 142.7 | 137.7 | -108 | -67 | 0 | 0 | 0 | 113.5 | ||||
| 440 | L | 20.8 | Very low | 24.6 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | 84.1 | 111.6 | 148.6 | -62.7 | 169.5 | 0 | 0 | 0 | 120.8 | ||||
| 441 | K | 21.8 | Very low | 23.8 | Very low | 200 Ų | 200 | 139.2 Ų | 139.2 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | trans | -9.7 | 126 | 130.1 | -70 | 174.4 | 173.6 | 176.7 | 0 | 114.4 | ||||
| 442 | A | 20.5 | Very low | 23.4 | Very low | 83 Ų | 83 | 139 Ų | 139 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | 156.7 | 132.7 | 114.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 443 | Q | 19.1 | Very low | 23.2 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | 56.9 | 111.8 | 139.6 | -72.5 | 176.2 | -33.7 | 0 | 0 | 120.8 | ||||
| 444 | A | 20.3 | Very low | 22.9 | Very low | 81 Ų | 81 | 145.3 Ų | 145.3 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | 50.9 | 110.2 | 119.8 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 445 | N | 22.2 | Very low | 23.4 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | 174.5 | 130 | 104.9 | -92.5 | -27.1 | 0 | 0 | 0 | 112.6 | |||||
| 446 | Q | 20 | Very low | 23.3 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -0.7 | 140.3 | 149.2 | -71.2 | -178.4 | -11.8 | 0 | 0 | 118.6 | ||||
| 447 | P | 25 | Very low | 23.2 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | -144.5 | 140.8 | 80.8 | 34.1 | -15.5 | 0 | 0 | 0 | 117.7 | |||||
| 448 | K | 21.7 | Very low | 23.2 | Very low | 199 Ų | 199 | 142.8 Ų | 142.8 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | 31.8 | 146.7 | 137.8 | -64.1 | 176.2 | 175.2 | 179.2 | 0 | 120.7 | ||||
| 449 | A | 21 | Very low | 22.2 | Very low | 88 Ų | 88 | 142.6 Ų | 142.6 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | cis | 172 | 121.1 | -16.4 | 0 | 0 | 0 | 0 | 0 | 104 | ||||
| 450 | L | 21.2 | Very low | 22.2 | Very low | 174 Ų | 174 | 140.4 Ų | 140.4 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -166.1 | 123.7 | 156.8 | -98.5 | 160.8 | 0 | 0 | 0 | 106.3 | ||||
| 451 | D | 20.4 | Very low | 22.3 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | -73.5 | 135.3 | -154.5 | -68.6 | -54 | 0 | 0 | 0 | 116.5 | ||||
| 452 | P | 25.2 | Very low | 22.3 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -105.7 | 133.3 | 161.6 | 33.6 | -23.2 | 0 | 0 | 0 | 112.3 | ||||
| 453 | F | 22.8 | Very low | 22.3 | Very low | 218 Ų | 218 | 142.9 Ų | 142.9 | 96% | 0.956 | 79% | 0.79 | S | S | * | * | trans | -80.5 | 129 | 164.7 | -101.3 | -97 | 0 | 0 | 0 | 110.1 | ||||
| 454 | M | 22.6 | Very low | 22.3 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -86.4 | 177.2 | -165.3 | -102.2 | -133.1 | 152.9 | 0 | 0 | 113.4 | ||||
| 455 | P | 35.3 | Very low | 22.3 | Very low | 82 Ų | 82 | 143.6 Ų | 143.6 | 53% | 0.532 | 80% | 0.796 | S | S | . | * | cis | -153.3 | -169.3 | -43.2 | 42.6 | -24.1 | 0 | 0 | 0 | 114.8 | ||||
| 456 | T | 22.5 | Very low | 22.1 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | 89.5 | 135.3 | 149.1 | 62.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 457 | A | 21.7 | Very low | 22.2 | Very low | 96 Ų | 96 | 138 Ų | 138 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | cis | -171.4 | 131.2 | -21.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 458 | S | 23.7 | Very low | 22 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -81.8 | 140.5 | 162.4 | 46.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 459 | C | 18.5 | Very low | 22 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | -158.4 | 110.7 | 162.6 | -123.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 460 | E | 21.1 | Very low | 22 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | 92.1 | 128 | 95.8 | -90.4 | -157.9 | -179.9 | 0 | 0 | 116.5 | |||||
| 461 | K | 21.3 | Very low | 22 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 74% | 0.735 | 78% | 0.776 | S | S | * | * | trans | 75.8 | 111.2 | 150 | -69.8 | 177.3 | 179.1 | 122.8 | 0 | 121.7 | ||||
| 462 | N | 22.1 | Very low | 22 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | 19.8 | 121.8 | 125.9 | -84.6 | -5.8 | 0 | 0 | 0 | 119.9 | |||||
| 463 | I | 20.6 | Very low | 21.9 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | 138 | 117.6 | 132.9 | -72.5 | 155.1 | 0 | 0 | 0 | 113.7 | ||||
| 464 | S | 19.4 | Very low | 21.7 | Very low | 100 Ų | 100 | 135 Ų | 135 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | 38 | 118.2 | 153.6 | 69.2 | 0 | 0 | 0 | 0 | 121.8 | G466 | S464-G466 PolarHBondContact O-N 2.98Š| ||
| 465 | L | 19.7 | Very low | 21.6 | Very low | 180 Ų | 180 | 132.5 Ų | 132.5 | 94% | 0.942 | 77% | 0.771 | S | S | * | * | trans | 10.9 | 98.6 | 135.6 | -78.7 | 153.5 | 0 | 0 | 0 | 116.1 | ||||
| 466 | G | 19.6 | Very low | 21 | Very low | 63 Ų | 63 | 134 Ų | 134 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | trans | -167.8 | 95.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | S464 P468 | S464-G466 PolarHBondContact O-N 2.98Å; G466-P468 WeakPolarHBondContact O-CD 3.29Å | ||
| 467 | V | 20.9 | Very low | 20.9 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 90% | 0.903 | 78% | 0.781 | S | S | * | * | trans | -68.1 | 120.3 | 177.6 | 173.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 468 | P | 21.2 | Very low | 20.9 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | trans | -128.6 | 110.9 | 164.5 | 24.2 | 0.7 | 0 | 0 | 0 | 110.6 | G466 | G466-P468 WeakPolarHBondContact O-CD 3.29Š| ||
| 469 | S | 21.1 | Very low | 20.8 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | 14 | 115.1 | 139.8 | 59.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 470 | F | 20.9 | Very low | 21 | Very low | 211 Ų | 211 | 135.9 Ų | 135.9 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | trans | -116.3 | 105.1 | 152.9 | -104.2 | -85.5 | 0 | 0 | 0 | 110.2 | ||||
| 471 | T | 20.8 | Very low | 21 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | trans | -71.1 | 133 | 149.3 | 43.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 472 | D | 20.5 | Very low | 21 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | 161 | 97.6 | 128.5 | -85.3 | -20.7 | 0 | 0 | 0 | 111.3 | |||||
| 473 | L | 22.8 | Very low | 21 | Very low | 180 Ų | 180 | 130.9 Ų | 130.9 | 94% | 0.942 | 79% | 0.786 | S | S | * | * | trans | -135.4 | 107.4 | 145.2 | -99.6 | 166.1 | 0 | 0 | 0 | 107.6 | ||||
| 474 | Q | 19.2 | Very low | 21.6 | Very low | 168 Ų | 168 | 128 Ų | 128 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -74.2 | 139.2 | 178.1 | -67 | 171.8 | -23 | 0 | 0 | 111 | ||||
| 475 | S | 20.7 | Very low | 21.6 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | 163.1 | 150 | 112 | 54 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 476 | S | 23 | Very low | 21.8 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 89.3 | 80.3 | 167.5 | 59.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 477 | A | 21.1 | Very low | 22 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | 67.6 | 115.7 | 111.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 478 | I | 21.5 | Very low | 22 | Very low | 150 Ų | 150 | 129.4 Ų | 129.4 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 96.9 | 104.6 | 134.3 | -61.7 | 164.1 | 0 | 0 | 0 | 119.7 | ||||
| 479 | N | 21.1 | Very low | 22 | Very low | 147 Ų | 147 | 131.6 Ų | 131.6 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | 65.8 | 141.1 | 134.3 | -68.9 | -17.2 | 0 | 0 | 0 | 124.9 | ||||
| 480 | S | 22.4 | Very low | 22 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | 84.1 | 91 | 148 | 44.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 481 | A | 20.5 | Very low | 22.1 | Very low | 95 Ų | 95 | 127.2 Ų | 127.2 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | 38.7 | 141.3 | 115 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 482 | S | 22.3 | Very low | 22.1 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 96.6 | 91.8 | 152.4 | 67 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 483 | N | 21.3 | Very low | 22.1 | Very low | 153 Ų | 153 | 132.6 Ų | 132.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | 19.7 | 156.3 | 101.7 | -111.4 | 15.6 | 0 | 0 | 0 | 118.6 | |||||
| 484 | P | 33.3 | Very low | 22.2 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 63% | 0.63 | 78% | 0.782 | S | S | * | * | -126.8 | -171.4 | -92.4 | 31.3 | -10.4 | 0 | 0 | 0 | 112.6 | |||||
| 485 | L | 19.6 | Very low | 22.3 | Very low | 157 Ų | 157 | 127 Ų | 127 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | 85.8 | 117.6 | 154.8 | -73.1 | 149.7 | 0 | 0 | 0 | 119.7 | ||||
| 486 | M | 24.5 | Very low | 22.4 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | -37 | 144 | 157.3 | -74.3 | -84 | 172.3 | 0 | 0 | 114.2 | ||||
| 487 | P | 23.7 | Very low | 22.4 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | -144.5 | 144.9 | 121.9 | 34.7 | -19.3 | 0 | 0 | 0 | 114.6 | |||||
| 488 | G | 21.1 | Very low | 23.2 | Very low | 61 Ų | 61 | 130.2 Ų | 130.2 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | trans | 95 | 101.7 | 130.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 489 | T | 21.4 | Very low | 23.4 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | 30.9 | 124.1 | 125.3 | 49.7 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 490 | A | 21.3 | Very low | 23.5 | Very low | 82 Ų | 82 | 129.2 Ų | 129.2 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -165.1 | 119 | 137.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 491 | L | 21.1 | Very low | 23.6 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | 69.3 | 134.8 | 128.1 | -54 | 169.9 | 0 | 0 | 0 | 116.9 | |||||
| 492 | R | 21.6 | Very low | 23.8 | Very low | 212 Ų | 212 | 131.2 Ų | 131.2 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | cis | -169.3 | 123.9 | 12.2 | -114.3 | 164.5 | -174.8 | 176.1 | 6.8 | 105.7 | S494 | R492-S494 PolarHBondContact O-N 3.01Š| ||
| 493 | T | 21.5 | Very low | 24.1 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | trans | -60.3 | 113.6 | 164.8 | 40.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 494 | S | 23 | Very low | 24.2 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -79.5 | 118.2 | 167.2 | 52.2 | 0 | 0 | 0 | 0 | 110.2 | R492 | R492-S494 PolarHBondContact O-N 3.01Š| ||
| 495 | T | 21.7 | Very low | 23.7 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | trans | -30.6 | 126.8 | 161.7 | 43.7 | 0 | 0 | 0 | 0 | 116.7 | V497 | T495-V497 HydrophobicContact CG2-CG2 4.22Š| ||
| 496 | I | 24.3 | Very low | 23.9 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | -127.6 | 114.9 | 134.7 | -61.6 | -179.5 | 0 | 0 | 0 | 106.4 | ||||
| 497 | V | 22 | Very low | 24.7 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 67% | 0.673 | 78% | 0.783 | S | S | * | * | trans | -101.7 | 177.3 | 179.9 | -150.2 | 0 | 0 | 0 | 0 | 108.4 | T495 | T495-V497 HydrophobicContact CG2-CG2 4.22Š| ||
| 498 | P | 38.3 | Very low | 24.6 | Very low | 100 Ų | 100 | 142.3 Ų | 142.3 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | -102.4 | 170.3 | -114.2 | 37.9 | -19.6 | 0 | 0 | 0 | 113.3 | |||||
| 499 | H | 26 | Very low | 24.9 | Very low | 198 Ų | 198 | 146.5 Ų | 146.5 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -151.4 | 108.5 | 139.1 | -103.1 | -61.6 | 0 | 0 | 0 | 111.7 | ||||
| 500 | A | 22.5 | Very low | 25.7 | Very low | 79 Ų | 79 | 144.4 Ų | 144.4 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | trans | -68.4 | 145.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 501 | V | 24.5 | Very low | 25.7 | Very low | 146 Ų | 146 | 145.4 Ų | 145.4 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | trans | -131.3 | 125.8 | 144.3 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 502 | P | 24.6 | Very low | 25.7 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | trans | -102.2 | 169.1 | -152.4 | 8.4 | 15.8 | 0 | 0 | 0 | 113 | ||||
| 503 | P | 29.7 | Very low | 25.9 | Very low | 127 Ų | 127 | 143 Ų | 143 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -74 | 140.6 | -176.1 | 32.6 | -33.6 | 0 | 0 | 0 | 110.9 | ||||
| 504 | R | 23.1 | Very low | 26.6 | Very low | 247 Ų | 247 | 140.5 Ų | 140.5 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | trans | -119.4 | 86.3 | 173.1 | -142.3 | 178.1 | -172.6 | 173.5 | 1.3 | 108.7 | ||||
| 505 | E | 21.5 | Very low | 26.7 | Very low | 183 Ų | 183 | 146.9 Ų | 146.9 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -69.1 | 126.7 | 149.6 | -72.4 | -176.9 | 164.3 | 0 | 0 | 107.9 | ||||
| 506 | Q | 23.8 | Very low | 26.6 | Very low | 189 Ų | 189 | 148 Ų | 148 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | -165 | 147.7 | 128.4 | -104.9 | 179 | 3.2 | 0 | 0 | 110.7 | |||||
| 507 | P | 42.9 | Very low | 26.6 | Very low | 106 Ų | 106 | 151.2 Ų | 151.2 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | trans | -94.4 | 156.3 | -165.2 | 37.5 | -32.9 | 0 | 0 | 0 | 112.4 | ||||
| 508 | F | 20.9 | Very low | 26.7 | Very low | 209 Ų | 209 | 151.5 Ų | 151.5 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | trans | -160.3 | 116.4 | 152.9 | -109.9 | -80.2 | 0 | 0 | 0 | 112.3 | ||||
| 509 | N | 26.4 | Very low | 25.8 | Very low | 148 Ų | 148 | 153 Ų | 153 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -19 | 175.7 | 148.2 | -95.3 | -13.3 | 0 | 0 | 0 | 117.9 | ||||
| 510 | P | 39.3 | Very low | 25.7 | Very low | 102 Ų | 102 | 147.1 Ų | 147.1 | 66% | 0.662 | 80% | 0.802 | S | S | * | * | cis | -140.5 | -160.1 | -34.2 | 39.2 | -19.6 | 0 | 0 | 0 | 111.3 | ||||
| 511 | S | 21.3 | Very low | 25.7 | Very low | 103 Ų | 103 | 150.8 Ų | 150.8 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | 81.4 | 141.6 | 158.6 | 75.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 512 | E | 21.5 | Very low | 25.7 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | cis | -174.6 | 166 | -4.5 | -111.6 | 177.2 | 178 | 0 | 0 | 105.2 | ||||
| 513 | T | 25.7 | Very low | 25.7 | Very low | 133 Ų | 133 | 148.2 Ų | 148.2 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | trans | 113.7 | 141 | 150.2 | 68.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 514 | P | 36.8 | Very low | 25.4 | Very low | 96 Ų | 96 | 149.7 Ų | 149.7 | 62% | 0.623 | 81% | 0.808 | S | S | * | * | trans | -125.2 | 165 | -134.4 | 41.1 | -26.9 | 0 | 0 | 0 | 114.7 | ||||
| 515 | Y | 23.7 | Very low | 25.3 | Very low | 244 Ų | 244 | 146.4 Ų | 146.4 | 96% | 0.957 | 80% | 0.803 | S | S | * | * | trans | -140.2 | 104.4 | 155.7 | -79 | -77.8 | 0 | 0 | 0 | 110.1 | ||||
| 516 | D | 20.3 | Very low | 25.2 | Very low | 142 Ų | 142 | 142.8 Ų | 142.8 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | -73.5 | 135.9 | 168.5 | -93.7 | -38.8 | 0 | 0 | 0 | 110.7 | ||||
| 517 | Y | 23.4 | Very low | 25.1 | Very low | 241 Ų | 241 | 139.1 Ų | 139.1 | 95% | 0.945 | 79% | 0.793 | S | S | * | * | trans | -148.8 | 121.1 | 135.1 | -94.5 | -74.9 | 0 | 0 | 0 | 109.3 | ||||
| 518 | S | 24.1 | Very low | 24 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 135 | -165.9 | 42.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 519 | C | 19.8 | Very low | 24 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 89% | 0.892 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -96 | 127.9 | 169.6 | -168.6 | 0 | 0 | 0 | 0 | 109.1 | ||
| 520 | G | 24.2 | Very low | 23.8 | Very low | 75 Ų | 75 | 138.8 Ų | 138.8 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -86 | 127 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 521 | D | 22.8 | Very low | 22.9 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 152.7 | 178 | -151.7 | -8.6 | 0 | 0 | 0 | 113.1 | ||
| 522 | G | 25.1 | Very low | 23 | Very low | 74 Ų | 74 | 137.6 Ų | 137.6 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | trans | -179.6 | 64.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 523 | T | 24.5 | Very low | 22.9 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -64.6 | 151.5 | 162.5 | 18.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 524 | I | 23.1 | Very low | 22.7 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | 171.1 | 102.7 | 145.8 | -82.8 | 147.3 | 0 | 0 | 0 | 106.6 | ||||
| 525 | Q | 19.3 | Very low | 21.9 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | 64.7 | 136.7 | 82.6 | -89.6 | -173.5 | -11 | 0 | 0 | 117.7 | |||||
| 526 | S | 21.3 | Very low | 21.8 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 87 | 108.5 | 162 | 76.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 527 | S | 20 | Very low | 21.9 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | 94.4 | 143.9 | 68.3 | -67.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 528 | V | 21.5 | Very low | 21.7 | Very low | 125 Ų | 125 | 125 Ų | 125 | 76% | 0.758 | 79% | 0.789 | S | S | * | * | trans | 107.1 | 92.9 | 156.2 | -165.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 529 | D | 20.7 | Very low | 21.7 | Very low | 135 Ų | 135 | 130.4 Ų | 130.4 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | 53.8 | 107.4 | 123.7 | -60.8 | -33.6 | 0 | 0 | 0 | 122.3 | |||||
| 530 | H | 21.9 | Very low | 22.5 | Very low | 196 Ų | 196 | 129.9 Ų | 129.9 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | 15.8 | 104.3 | 123.2 | -68.5 | -67.8 | 0 | 0 | 0 | 118.2 | |||||
| 531 | G | 20.4 | Very low | 22.4 | Very low | 74 Ų | 74 | 132.1 Ų | 132.1 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | -164.4 | 93.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 532 | S | 22.1 | Very low | 22.5 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 10.7 | 143.5 | 149.9 | -156.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 533 | L | 20.5 | Very low | 22.4 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | 87.4 | 115.8 | 157 | -64.8 | 130.9 | 0 | 0 | 0 | 118.3 | ||||
| 534 | G | 20.3 | Very low | 22.4 | Very low | 65 Ų | 65 | 137.2 Ų | 137.2 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | 107.4 | 121.9 | 120.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 535 | S | 21 | Very low | 22.4 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | 69.7 | 114.3 | 144.3 | 67.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 536 | S | 20.9 | Very low | 22.5 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | 59.6 | 113.4 | 122.3 | -52.6 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 537 | T | 22.6 | Very low | 22.5 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | trans | -166.4 | 95.2 | 148.7 | 20.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 538 | Q | 20.5 | Very low | 22.6 | Very low | 183 Ų | 183 | 144 Ų | 144 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | 47.5 | 110.3 | 92.1 | -79.2 | -172.2 | -8.3 | 0 | 0 | 116.7 | |||||
| 539 | Y | 23.2 | Very low | 22.5 | Very low | 231 Ų | 231 | 142.7 Ų | 142.7 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -156.4 | 154 | 153.5 | -92.5 | -66.1 | 0 | 0 | 0 | 108.9 | ||||
| 540 | P | 36.2 | Very low | 22.5 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | -124.4 | 169.6 | -108.6 | 36 | -19.7 | 0 | 0 | 0 | 117 | |||||
| 541 | S | 23.4 | Very low | 22.6 | Very low | 122 Ų | 122 | 140 Ų | 140 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | -29.9 | 140.5 | -175.4 | -68.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 542 | L | 24.7 | Very low | 22.6 | Very low | 148 Ų | 148 | 140.1 Ų | 140.1 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | -56.5 | 143.6 | 153.8 | -86.2 | 89.8 | 0 | 0 | 0 | 113.8 | Q544 | L542-Q544 PolarHBondContact O-N 3.36Š| ||
| 543 | C | 22.7 | Very low | 22.6 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | trans | -74.8 | 106.7 | 154.1 | -76.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 544 | Q | 23.5 | Very low | 22.7 | Very low | 170 Ų | 170 | 142.5 Ų | 142.5 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 129.9 | 166.7 | -85.3 | -179.4 | -24 | 0 | 0 | 109.9 | L542 | L542-Q544 PolarHBondContact O-N 3.36Š|
| 545 | L | 23.4 | Very low | 22.8 | Very low | 168 Ų | 168 | 146.1 Ų | 146.1 | 88% | 0.88 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 141.2 | 171 | -77.8 | 155.7 | 0 | 0 | 0 | 110.4 | ||
| 546 | P | 21.6 | Very low | 22.8 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 68% | 0.682 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 122.8 | -164.1 | 31.7 | -33.1 | 0 | 0 | 0 | 112.1 | ||
| 547 | Y | 21.3 | Very low | 22.8 | Very low | 238 Ų | 238 | 144 Ų | 144 | 93% | 0.933 | 83% | 0.827 | S | S | * | * | trans | -112.9 | 95.8 | 148.9 | -103.8 | -89.8 | 0 | 0 | 0 | 106.3 | A549 | Y547-A549 PolarHBondContact O-N 3.1Š| ||
| 548 | E | 21.4 | Very low | 22.9 | Very low | 189 Ų | 189 | 142.6 Ų | 142.6 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | -81.8 | 108.3 | 175.2 | -76 | -174.9 | 155.5 | 0 | 0 | 109.9 | ||||
| 549 | A | 21 | Very low | 23 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 79% | 0.793 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -166.6 | 105.6 | 136.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y547 | Y547-A549 PolarHBondContact O-N 3.1Š|
| 550 | A | 20.7 | Very low | 23 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | 63.1 | 92.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 551 | N | 22.5 | Very low | 22.4 | Very low | 176 Ų | 176 | 132.6 Ų | 132.6 | 94% | 0.941 | 82% | 0.822 | S | S | * | * | trans | -126.7 | 132.9 | 146.4 | -99.8 | -20.5 | 0 | 0 | 0 | 110.2 | ||||
| 552 | A | 21.1 | Very low | 22.3 | Very low | 76 Ų | 76 | 137.7 Ų | 137.7 | 63% | 0.628 | 82% | 0.823 | S | S | * | * | trans | -117.7 | 143.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 553 | Y | 22.2 | Very low | 22.2 | Very low | 211 Ų | 211 | 135.7 Ų | 135.7 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | trans | 86.2 | 95.7 | 158.1 | -61.4 | -71.3 | 0 | 0 | 0 | 120.4 | ||||
| 554 | T | 23.2 | Very low | 22.1 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 68% | 0.675 | 82% | 0.817 | S | S | * | * | 70.7 | 102.7 | 117.3 | 56.7 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 555 | T | 21.3 | Very low | 22 | Very low | 141 Ų | 141 | 142 Ų | 142 | 87% | 0.865 | 83% | 0.825 | S | S | * | * | 43.5 | 123.7 | 114.6 | 59.1 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 556 | G | 21.6 | Very low | 21.8 | Very low | 83 Ų | 83 | 136.6 Ų | 136.6 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | trans | 151.8 | 99.9 | 143.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 557 | G | 21.7 | Very low | 21.9 | Very low | 82 Ų | 82 | 139.9 Ų | 139.9 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | 78.5 | 101.1 | 127.8 | 0 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 558 | S | 23.2 | Very low | 21.9 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | 43.2 | 113.8 | 133.6 | -167.4 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 559 | S | 24.2 | Very low | 22 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | 46.5 | 107.1 | 127.9 | -153.8 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 560 | A | 23.2 | Very low | 22 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -165 | 107.6 | 133.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 561 | A | 22.3 | Very low | 22.2 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -106.7 | 93.7 | 171 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 562 | R | 21.2 | Very low | 22.1 | Very low | 230 Ų | 230 | 137.6 Ų | 137.6 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | -156.4 | 125.2 | 153.5 | -114 | 177.4 | -172.8 | 177.6 | 2.4 | 110.6 | ||||
| 563 | S | 22.1 | Very low | 22.2 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | 52.6 | 98.7 | 155.3 | 62.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 564 | F | 21 | Very low | 22.2 | Very low | 194 Ų | 194 | 138.8 Ų | 138.8 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | -134.7 | 92 | 148.2 | -89.2 | -82.4 | 0 | 0 | 0 | 110.2 | ||||
| 565 | Y | 21.2 | Very low | 22.2 | Very low | 248 Ų | 248 | 138.5 Ų | 138.5 | 97% | 0.973 | 81% | 0.814 | S | S | * | * | trans | -94.6 | 118.5 | 132.6 | -90.4 | -85.9 | 0 | 0 | 0 | 104.8 | ||||
| 566 | G | 21.1 | Very low | 22.3 | Very low | 54 Ų | 54 | 139.1 Ų | 139.1 | 56% | 0.557 | 81% | 0.812 | S | S | * | * | trans | 160.3 | 89.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 567 | E | 21.8 | Very low | 22.4 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | 66.5 | 139.7 | 135.5 | -76.2 | -168.6 | 168.6 | 0 | 0 | 123.7 | ||||
| 568 | N | 22.2 | Very low | 22.3 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | trans | 80.8 | 92.1 | 147.5 | -61.7 | -25.3 | 0 | 0 | 0 | 119.2 | ||||
| 569 | V | 23.7 | Very low | 22.3 | Very low | 148 Ų | 148 | 146.5 Ų | 146.5 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | trans | -116.1 | 111.5 | 137 | 177.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 570 | Q | 20.3 | Very low | 22.3 | Very low | 179 Ų | 179 | 145.2 Ų | 145.2 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -62.1 | 133.9 | 168.9 | -68 | 159.6 | -41.7 | 0 | 0 | 110.5 | ||||
| 571 | S | 24.5 | Very low | 22.8 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -148.4 | 115.5 | 144.9 | 63.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 572 | Q | 21 | Very low | 23.9 | Very low | 176 Ų | 176 | 147 Ų | 147 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -46.7 | 142.2 | -179.7 | -65 | 155.5 | -38.2 | 0 | 0 | 114.2 | ||||
| 573 | N | 24.4 | Very low | 24.3 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | -176.6 | 137.1 | 113.2 | -91.1 | -21.6 | 0 | 0 | 0 | 112.2 | |||||
| 574 | D | 21.6 | Very low | 24.3 | Very low | 151 Ų | 151 | 144.5 Ų | 144.5 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | trans | -74 | 161 | -166.9 | -75.4 | -55.5 | 0 | 0 | 0 | 116.6 | ||||
| 575 | S | 22.2 | Very low | 24.4 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | 79.3 | 112 | 146 | -60.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 576 | L | 23.6 | Very low | 24.3 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | -174.9 | 112.2 | 96.3 | -87.7 | 168.7 | 0 | 0 | 0 | 112.4 | |||||
| 577 | L | 23.2 | Very low | 24.4 | Very low | 153 Ų | 153 | 136 Ų | 136 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | trans | 54.8 | 107.2 | 139.5 | -63.5 | 164.1 | 0 | 0 | 0 | 120.6 | ||||
| 578 | M | 20.5 | Very low | 24.3 | Very low | 181 Ų | 181 | 132 Ų | 132 | 89% | 0.892 | 79% | 0.788 | S | S | * | * | 76.7 | 135.3 | 72.5 | -106.2 | -84.9 | -162.8 | 0 | 0 | 117.3 | |||||
| 579 | A | 23.9 | Very low | 24.3 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 88.1 | 134.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 580 | A | 24.4 | Very low | 24.2 | Very low | 92 Ų | 92 | 129.5 Ų | 129.5 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | cis | -179.4 | 165.9 | -5.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 581 | P | 32.5 | Very low | 24.2 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -100.2 | -179 | -148.7 | 3.8 | 18.5 | 0 | 0 | 0 | 117.4 | ||||
| 582 | P | 46.1 | Very low | 24.2 | Very low | 120 Ų | 120 | 126 Ų | 126 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | -99.3 | 165.4 | -168.9 | 39.6 | -33.8 | 0 | 0 | 0 | 115.5 | ||||
| 583 | P | 29.1 | Very low | 24.2 | Very low | 120 Ų | 120 | 123 Ų | 123 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | -121.2 | 124.3 | 164.4 | 36 | -21.8 | 0 | 0 | 0 | 112.2 | ||||
| 584 | N | 22.8 | Very low | 24 | Very low | 164 Ų | 164 | 122 Ų | 122 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | 68.2 | 110.4 | 84.2 | -90.8 | -1 | 0 | 0 | 0 | 119 | |||||
| 585 | A | 21.5 | Very low | 24.1 | Very low | 83 Ų | 83 | 118.4 Ų | 118.4 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | 79.9 | 119.4 | 123.1 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 586 | S | 20.3 | Very low | 24.1 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | 94 | 146.1 | 117.1 | 67.3 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 587 | T | 22.9 | Very low | 24.8 | Very low | 134 Ų | 134 | 120.7 Ų | 120.7 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | 81.2 | 148 | 158.4 | 61.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 588 | S | 19.5 | Very low | 24.9 | Very low | 89 Ų | 89 | 118.9 Ų | 118.9 | 62% | 0.622 | 78% | 0.782 | S | S | * | * | cis | 175.1 | 164.1 | -26.9 | 54.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 589 | T | 22.3 | Very low | 24.9 | Very low | 128 Ų | 128 | 114.7 Ų | 114.7 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 68.8 | 146.5 | 152.2 | 47.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 590 | S | 20.7 | Very low | 24.9 | Very low | 98 Ų | 98 | 120.9 Ų | 120.9 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | cis | 176 | 138.3 | -8.5 | 50.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 591 | V | 20.5 | Very low | 25.1 | Very low | 150 Ų | 150 | 121.5 Ų | 121.5 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | trans | 61.9 | 128.7 | 131.6 | -175.1 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 592 | G | 24.5 | Very low | 24.5 | Very low | 72 Ų | 72 | 120.8 Ų | 120.8 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | 137.3 | 150.4 | 129.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 593 | S | 20.8 | Very low | 23.3 | Very low | 113 Ų | 113 | 120.4 Ų | 120.4 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | cis | 179.6 | 153 | -35.7 | -164.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 594 | V | 21.8 | Very low | 22.9 | Very low | 139 Ų | 139 | 120.8 Ų | 120.8 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | trans | 77.6 | 127.7 | 152.8 | -163.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 595 | G | 23.1 | Very low | 22.8 | Very low | 76 Ų | 76 | 118.7 Ų | 118.7 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | trans | 170.4 | 95.4 | 147.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 596 | Q | 21.8 | Very low | 22.8 | Very low | 187 Ų | 187 | 120 Ų | 120 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -74.8 | 158.9 | -171.5 | -80.1 | 169 | -51.4 | 0 | 0 | 117.5 | ||||
| 597 | P | 39.5 | Very low | 22.9 | Very low | 120 Ų | 120 | 119.2 Ų | 119.2 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -104.6 | 163.8 | 172.9 | 39.8 | -31.2 | 0 | 0 | 0 | 114.2 | ||||
| 598 | P | 24.4 | Very low | 22.9 | Very low | 115 Ų | 115 | 119.7 Ų | 119.7 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | trans | -127 | 121 | 162.3 | 33.1 | -16.6 | 0 | 0 | 0 | 114.8 | ||||
| 599 | S | 20.7 | Very low | 23.2 | Very low | 92 Ų | 92 | 122.1 Ų | 122.1 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | trans | 18.7 | 137.9 | 134.4 | 55.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 600 | Y | 23.1 | Very low | 23.3 | Very low | 224 Ų | 224 | 122.1 Ų | 122.1 | 88% | 0.878 | 79% | 0.786 | S | S | * | * | -166 | 153.9 | 104.6 | -92.3 | -74.2 | 0 | 0 | 0 | 112.2 | |||||
| 601 | P | 29.4 | Very low | 23.4 | Very low | 104 Ų | 104 | 122.4 Ų | 122.4 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | trans | -111.6 | 171.7 | -168.6 | 41.1 | -29.8 | 0 | 0 | 0 | 114.6 | ||||
| 602 | S | 20.9 | Very low | 23.4 | Very low | 108 Ų | 108 | 120 Ų | 120 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | 144.6 | 114.2 | 128 | 67.8 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 603 | S | 19.8 | Very low | 23.4 | Very low | 111 Ų | 111 | 122.7 Ų | 122.7 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | 43.4 | 124.6 | 137.1 | 62.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 604 | S | 21.1 | Very low | 23.5 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | -177.3 | 148.4 | 114.6 | 47.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 605 | S | 20.9 | Very low | 23.5 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | -106.9 | 144.3 | -170.7 | 42 | 0 | 0 | 0 | 0 | 112 | ||||
| 606 | A | 21.5 | Very low | 23.5 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | -169.7 | 134.3 | 145.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 607 | A | 21.8 | Very low | 23.5 | Very low | 85 Ų | 85 | 125.7 Ų | 125.7 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | trans | -96.1 | 151.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 608 | N | 23 | Very low | 22.7 | Very low | 144 Ų | 144 | 124 Ų | 124 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | 156 | 110.1 | 117.3 | -88.2 | -13.3 | 0 | 0 | 0 | 115.3 | |||||
| 609 | I | 25.9 | Very low | 22.8 | Very low | 140 Ų | 140 | 125.2 Ų | 125.2 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | 41.6 | 131.3 | 127.4 | -39.5 | 177.5 | 0 | 0 | 0 | 121.6 | |||||
| 610 | T | 23.9 | Very low | 23.1 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | 148.5 | 144.9 | 122.6 | 45.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 611 | S | 22.3 | Very low | 23.2 | Very low | 104 Ų | 104 | 123.3 Ų | 123.3 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | cis | 178.2 | 112.7 | -24.6 | 45.3 | 0 | 0 | 0 | 0 | 105 | ||||
| 612 | A | 21.9 | Very low | 23.1 | Very low | 101 Ų | 101 | 122 Ų | 122 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | trans | -149.7 | 77.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 613 | T | 23.4 | Very low | 23.4 | Very low | 127 Ų | 127 | 121.7 Ų | 121.7 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | -81.6 | 122.5 | 176.9 | 37 | 0 | 0 | 0 | 0 | 109.4 | V615 | T613-V615 PolarHBondContact O-N 3.18Š| ||
| 614 | P | 23.2 | Very low | 23.8 | Very low | 114 Ų | 114 | 118.9 Ų | 118.9 | 74% | 0.74 | 73% | 0.728 | S | S | * | * | trans | -71.4 | 127.1 | 170.4 | 29.7 | -29.3 | 0 | 0 | 0 | 108.5 | Q616 | P614-Q616 PolarHBondContact O-N 3.24Å; P614-Q616 VanDerWaalsContact O-N 3.17Å | ||
| 615 | V | 22.5 | Very low | 24.4 | Very low | 131 Ų | 131 | 114 Ų | 114 | 79% | 0.794 | 69% | 0.692 | S | S | * | * | trans | -56.7 | 114.7 | 175 | 174.9 | 0 | 0 | 0 | 0 | 108.9 | T613 L617 | T613-V615 PolarHBondContact O-N 3.18Å; V615-L617 PolarHBondContact O-N 2.92Å | ||
| 616 | Q | 21.7 | Very low | 25 | Very low | 192 Ų | 192 | 115.1 Ų | 115.1 | 90% | 0.897 | 69% | 0.688 | S | S | * | * | trans | -70.6 | 101.5 | 168.6 | -88.9 | 161.6 | -61.9 | 0 | 0 | 108.7 | P614 S618 | P614-Q616 PolarHBondContact O-N 3.24Å; P614-Q616 VanDerWaalsContact O-N 3.17Å; Q616-S618 PolarHBondContact O-N 3.49Å | ||
| 617 | L | 21.8 | Very low | 25.5 | Very low | 142 Ų | 142 | 113.5 Ų | 113.5 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | trans | -77.5 | 114.9 | 161.3 | -83 | 155 | 0 | 0 | 0 | 108.1 | V615 | V615-L617 PolarHBondContact O-N 2.92Š| ||
| 618 | S | 24.4 | Very low | 26 | Very low | 85 Ų | 85 | 110.6 Ų | 110.6 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | trans | -62.5 | 151.2 | 174.3 | 40.1 | 0 | 0 | 0 | 0 | 111.6 | Q616 E620 | Q616-S618 PolarHBondContact O-N 3.49Å; S618-E620 PolarHBondContact O-N 3.27Å | ||
| 619 | I | 25.8 | Very low | 26.5 | Very low | 139 Ų | 139 | 108.1 Ų | 108.1 | 71% | 0.713 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -66.7 | 20 | -174.1 | -64.5 | 165.7 | 0 | 0 | 0 | 113.6 | ||
| 620 | E | 27.1 | Very low | 26.9 | Very low | 141 Ų | 141 | 107 Ų | 107 | 66% | 0.659 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -80.4 | -15.7 | 176.1 | -75.1 | -168.8 | 147.8 | 0 | 0 | 113.5 | S618 K957 | S618-E620 PolarHBondContact O-N 3.27Å; E620-K957 IonicContact OE1-NZ 3.53Å; E620-K957 PolarHBondContact OE1-NZ 3.4Å; E620-K957 IonicContact OE2-NZ 3.19Å |
| 621 | D | 25.9 | Very low | 27.4 | Very low | 136 Ų | 136 | 101.7 Ų | 101.7 | 73% | 0.727 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -96.5 | 15.8 | -177.1 | -63.3 | -28 | 0 | 0 | 0 | 115.7 | I623 | D621-I623 PolarHBondContact O-N 3.49Å; D621-I623 VanDerWaalsContact O-N 3.16Å |
| 622 | A | 26.1 | Very low | 28.5 | Very low | 76 Ų | 76 | 99.1 Ų | 99.1 | 63% | 0.628 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -87.1 | 82.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 623 | I | 26.8 | Very low | 29.8 | Very low | 101 Ų | 101 | 96.4 Ų | 96.4 | 52% | 0.518 | 56% | 0.561 | S | S | . | * | trans | 46.4 | 101.5 | 153.7 | -47.7 | 175.4 | 0 | 0 | 0 | 115.3 | D621 I625 | D621-I623 PolarHBondContact O-N 3.49Å; D621-I623 VanDerWaalsContact O-N 3.16Å; I623-I625 HydrophobicContact CG2-CG1 3.97Å; I623-I625 PolarHBondContact O-N 3.18Å | ||
| 624 | T | 28.9 | Very low | 31 | Very low | 52 Ų | 52 | 93.9 Ų | 93.9 | 32% | 0.319 | 54% | 0.542 | S | S | . | . | trans | -67.3 | 80.6 | 164.8 | 32.7 | 0 | 0 | 0 | 0 | 112 | D343 D626 S627 | D343-T624 HydrophobicContact CB-CG2 3.79Å; D343-T624 VanDerWaalsContact CB-OG1 3.29Å; D343-T624 WeakPolarHBondContact CB-OG1 3.43Å; D343-T624 VanDerWaalsContact CG-CB 3.46Å; D343-T624 WeakPolarHBondContact OD1-CB 3.37Å; D343-T624 WeakPolarHBondContact OD1-CG2 3.29Å; D343-T624 PolarHBondContact OD1-OG1 3.25Å; D343-T624 WeakPolarHBondContact OD2-CG2 3.45Å; T624-D626 PolarHBondContact O-N 3.36Å; T624-D626 VanDerWaalsContact O-N 3.12Å; T624-S627 PolarHBondContact O-N 3.07Å; T624-S627 PolarHBondContact O-OG 3.03Å; T624-S627 VanDerWaalsContact O-OG 3.08Å | ||
| 625 | I | 33 | Very low | 31.8 | Very low | 27 Ų | 27 | 88.8 Ų | 88.8 | 14% | 0.138 | 51% | 0.509 | C | S | . | . | G | 310 helix | trans | -57.2 | -12.5 | 166.6 | -73 | 175.7 | 0 | 0 | 0 | 112 | I623 S627 L628 E680 | I623-I625 HydrophobicContact CG2-CG1 3.97Å; I623-I625 PolarHBondContact O-N 3.18Å; I625-S627 PolarHBondContact O-N 3.28Å; I625-L628 HydrophobicContact CG2-CD1 4.12Å; I625-L628 WeakPolarHBondContact O-CB 3.08Å; I625-L628 PolarHBondContact O-N 3.12Å; I625-E680 HydrophobicContact CG2-CB 4.48Å; I625-E680 HydrophobicContact CG2-CG 3.26Å |
| 626 | D | 34 | Very low | 32.9 | Very low | 143 Ų | 143 | 86.3 Ų | 86.3 | 77% | 0.765 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -63.7 | -10.2 | 175.4 | -74 | -7.1 | 0 | 0 | 0 | 114.1 | T624 | T624-D626 PolarHBondContact O-N 3.36Å; T624-D626 VanDerWaalsContact O-N 3.12Å |
| 627 | S | 31.9 | Very low | 34.2 | Very low | 75 Ų | 75 | 78.7 Ų | 78.7 | 52% | 0.524 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -84.1 | -8.4 | 171.9 | 58.8 | 0 | 0 | 0 | 0 | 114.3 | T624 I625 | T624-S627 PolarHBondContact O-N 3.07Å; T624-S627 PolarHBondContact O-OG 3.03Å; T624-S627 VanDerWaalsContact O-OG 3.08Å; I625-S627 PolarHBondContact O-N 3.28Å |
| 628 | L | 31.9 | Very low | 35.6 | Very low | 24 Ų | 24 | 75.9 Ų | 75.9 | 13% | 0.126 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -75.5 | 121.7 | 169.1 | -81.1 | 156.7 | 0 | 0 | 0 | 108.3 | I625 P630 N676 F713 | I625-L628 HydrophobicContact CG2-CD1 4.12Å; I625-L628 WeakPolarHBondContact O-CB 3.08Å; I625-L628 PolarHBondContact O-N 3.12Å; L628-P630 VanDerWaalsContact O-N 3.15Å; L628-N676 HydrophobicContact CD2-CB 4.35Å; L628-F713 HydrophobicContact CD2-CE1 3.62Å; L628-F713 HydrophobicContact CD2-CZ 3.61Å |
| 629 | P | 34.8 | Very low | 36.5 | Very low | 93 Ų | 93 | 72.5 Ų | 72.5 | 60% | 0.604 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 126.8 | 178.6 | 19.9 | -29.7 | 0 | 0 | 0 | 108.7 | F631 | P629-F631 PolarHBondContact O-N 2.67Š|
| 630 | P | 34.6 | Very low | 37.8 | Very low | 116 Ų | 116 | 68.9 Ų | 68.9 | 75% | 0.753 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 141.2 | -175.3 | 20.5 | -31.5 | 0 | 0 | 0 | 109.7 | L628 | L628-P630 VanDerWaalsContact O-N 3.15Š|
| 631 | F | 34.4 | Very low | 39.3 | Very low | 16 Ų | 16 | 65 Ų | 65 | 7% | 0.07 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 146.6 | -179.7 | -61.7 | -70.1 | 0 | 0 | 0 | 111 | P629 V633 V635 Q636 N676 N677 | P629-F631 PolarHBondContact O-N 2.67Å; F631-V633 PolarHBondContact O-N 3.29Å; F631-V633 VanDerWaalsContact O-N 3.14Å; F631-V635 HydrophobicContact CB-CB 4.42Å; F631-V635 HydrophobicContact CD1-CG1 4.34Å; F631-Q636 HydrophobicContact CB-CB 4.34Å; F631-N676 HydrophobicContact CE1-CB 3.36Å; F631-N676 HydrophobicContact CZ-CB 3.29Å; F631-N676 WeakPolarHBondContact CZ-O 3.34Å; F631-N677 WeakPolarHBondContact CD2-OD1 3.46Å; F631-N677 HydrophobicContact CE2-CB 4.44Å; F631-N677 WeakPolarHBondContact CE2-OD1 3.28Å; F631-N677 HydrophobicContact CZ-CB 4.47Å |
| 632 | A | 44.7 | Very low | 40.4 | Very low | 50 Ų | 50 | 60.6 Ų | 60.6 | 41% | 0.413 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 124 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107 | D634 V635 Q636 | A632-D634 WeakPolarHBondContact CB-OD1 3.37Å; A632-D634 PolarHBondContact O-N 2.96Å; A632-V635 HydrophobicContact CB-CG2 4.12Å; A632-V635 VanDerWaalsContact O-CB 3.23Å; A632-V635 WeakPolarHBondContact O-CB 3.38Å; A632-V635 PolarHBondContact O-N 3.39Å; A632-Q636 PolarHBondContact O-N 3.07Å |
| 633 | V | 49.2 | Very low | 41.7 | Very low | 44 Ų | 44 | 57.4 Ų | 57.4 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.3 | -17.5 | -163.4 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | F631 K637 S2176 | F631-V633 PolarHBondContact O-N 3.29Å; F631-V633 VanDerWaalsContact O-N 3.14Å; V633-K637 WeakPolarHBondContact O-CD 3.08Å; V633-K637 VanDerWaalsContact O-CG 3.26Å; V633-K637 WeakPolarHBondContact O-CG 3.36Å; V633-K637 PolarHBondContact O-N 3.18Å; V633-S2176 VanDerWaalsContact C-OG 3.23Å; V633-S2176 WeakPolarHBondContact CA-OG 3.44Å; V633-S2176 WeakPolarHBondContact CB-OG 3.35Å; V633-S2176 WeakPolarHBondContact CG1-O 3.39Å |
| 634 | D | 47.8 | Very low | 43.2 | Very low | 74 Ų | 74 | 58.1 Ų | 58.1 | 40% | 0.396 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 171.4 | 60 | -35.7 | 0 | 0 | 0 | 111.7 | A632 K637 E638 S2176 | A632-D634 WeakPolarHBondContact CB-OD1 3.37Å; A632-D634 PolarHBondContact O-N 2.96Å; D634-K637 PolarHBondContact O-N 3.47Å; D634-E638 PolarHBondContact O-N 3.49Å; D634-S2176 PolarHBondContact N-OG 3.44Å |
| 635 | V | 41.4 | Very low | 44.5 | Very low | 7 Ų | 7 | 62.6 Ų | 62.6 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.8 | -44.8 | 177.2 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | F631 A632 K637 E638 A639 R674 N677 | F631-V635 HydrophobicContact CB-CB 4.42Å; F631-V635 HydrophobicContact CD1-CG1 4.34Å; A632-V635 HydrophobicContact CB-CG2 4.12Å; A632-V635 VanDerWaalsContact O-CB 3.23Å; A632-V635 WeakPolarHBondContact O-CB 3.38Å; A632-V635 PolarHBondContact O-N 3.39Å; V635-K637 PolarHBondContact O-N 2.91Å; V635-E638 PolarHBondContact O-N 3.42Å; V635-A639 WeakPolarHBondContact O-CB 3.38Å; V635-A639 PolarHBondContact O-N 3.31Å; V635-A639 VanDerWaalsContact O-N 3.07Å; V635-R674 HydrophobicContact CG1-CB 3.95Å; V635-R674 WeakPolarHBondContact CG1-O 3.27Å; V635-R674 HydrophobicContact CG2-CB 3.87Å; V635-R674 HydrophobicContact CG2-CG 3.52Å; V635-N677 PolarHBondContact O-ND2 3.48Å |
| 636 | Q | 44 | Very low | 45.6 | Very low | 80 Ų | 80 | 61.9 Ų | 61.9 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.5 | -37.6 | 177.2 | -165.9 | 165.1 | 14.3 | 0 | 0 | 110.8 | F631 A632 S640 N677 | F631-Q636 HydrophobicContact CB-CB 4.34Å; A632-Q636 PolarHBondContact O-N 3.07Å; Q636-S640 WeakPolarHBondContact O-CB 3.39Å; Q636-S640 PolarHBondContact O-N 2.89Å; Q636-S640 PolarHBondContact O-OG 3.48Å; Q636-N677 WeakPolarHBondContact CA-ND2 2.96Å |
| 637 | K | 50.7 | Low | 46.7 | Very low | 32 Ų | 32 | 56.3 Ų | 56.3 | 14% | 0.139 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.6 | -44.6 | 177.6 | -75.3 | 175.3 | 174.6 | -165.9 | 0 | 115.2 | V633 D634 V635 A639 S640 A641 S2176 E2179 | V633-K637 WeakPolarHBondContact O-CD 3.08Å; V633-K637 VanDerWaalsContact O-CG 3.26Å; V633-K637 WeakPolarHBondContact O-CG 3.36Å; V633-K637 PolarHBondContact O-N 3.18Å; D634-K637 PolarHBondContact O-N 3.47Å; V635-K637 PolarHBondContact O-N 2.91Å; K637-A639 PolarHBondContact O-N 3.46Å; K637-S640 PolarHBondContact O-N 2.94Å; K637-A641 VanDerWaalsContact O-CB 3.26Å; K637-A641 WeakPolarHBondContact O-CB 3.34Å; K637-A641 PolarHBondContact O-N 3.42Å; K637-S2176 WeakPolarHBondContact CE-O 3.25Å; K637-S2176 PolarHBondContact NZ-O 2.89Å; K637-E2179 HydrophobicContact CD-CB 4.34Å; K637-E2179 VanDerWaalsContact NZ-CA 3.28Å; K637-E2179 IonicContact NZ-OE2 3.38Å |
| 638 | E | 49.5 | Very low | 47.7 | Very low | 82 Ų | 82 | 59 Ų | 59 | 38% | 0.383 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 177.3 | -166 | 179.1 | -179.3 | 0 | 0 | 109.5 | D634 V635 M642 | D634-E638 PolarHBondContact O-N 3.49Å; V635-E638 PolarHBondContact O-N 3.42Å; E638-M642 HydrophobicContact CG-CE 4.22Å; E638-M642 WeakPolarHBondContact O-CE 2.95Å; E638-M642 WeakPolarHBondContact O-CG 2.98Å; E638-M642 PolarHBondContact O-N 3.35Å |
| 639 | A | 44.5 | Very low | 48.5 | Very low | 14 Ų | 14 | 63 Ų | 63 | 12% | 0.116 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.3 | -52.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V635 K637 A641 M642 F643 N677 | V635-A639 WeakPolarHBondContact O-CB 3.38Å; V635-A639 PolarHBondContact O-N 3.31Å; V635-A639 VanDerWaalsContact O-N 3.07Å; K637-A639 PolarHBondContact O-N 3.46Å; A639-A641 VanDerWaalsContact C-N 3.35Å; A639-A641 PolarHBondContact O-N 2.98Å; A639-M642 PolarHBondContact O-N 3.32Å; A639-M642 VanDerWaalsContact O-N 3.11Å; A639-F643 HydrophobicContact CB-CE2 4.45Å; A639-F643 WeakPolarHBondContact O-CD2 3.44Å; A639-F643 PolarHBondContact O-N 3.23Å; A639-N677 HydrophobicContact CB-CB 4.39Å; A639-N677 WeakPolarHBondContact CB-ND2 3.33Å |
| 640 | S | 52.4 | Low | 49 | Very low | 64 Ų | 64 | 63.6 Ų | 63.6 | 45% | 0.448 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 179.8 | -64.1 | 0 | 0 | 0 | 0 | 113 | Q636 K637 M642 F643 H644 | Q636-S640 WeakPolarHBondContact O-CB 3.39Å; Q636-S640 PolarHBondContact O-N 2.89Å; Q636-S640 PolarHBondContact O-OG 3.48Å; K637-S640 PolarHBondContact O-N 2.94Å; S640-M642 VanDerWaalsContact C-N 3.26Å; S640-M642 PolarHBondContact O-N 3.04Å; S640-F643 PolarHBondContact O-N 3.24Å; S640-H644 WeakPolarHBondContact O-CB 3.31Å; S640-H644 PolarHBondContact O-N 3.37Å |
| 641 | A | 58.2 | Low | 49.5 | Very low | 59 Ų | 59 | 63.8 Ų | 63.8 | 49% | 0.488 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.1 | -32.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K637 A639 H644 K645 | K637-A641 VanDerWaalsContact O-CB 3.26Å; K637-A641 WeakPolarHBondContact O-CB 3.34Å; K637-A641 PolarHBondContact O-N 3.42Å; A639-A641 VanDerWaalsContact C-N 3.35Å; A639-A641 PolarHBondContact O-N 2.98Å; A641-H644 WeakPolarHBondContact O-CB 2.94Å; A641-K645 PolarHBondContact O-N 3.22Å; A641-K645 VanDerWaalsContact O-N 3.11Å |
| 642 | M | 49.1 | Very low | 50 | Low | 43 Ų | 43 | 70.5 Ų | 70.5 | 21% | 0.212 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -84.6 | -35.7 | 176.7 | -72.8 | -166.8 | -69.7 | 0 | 0 | 113.9 | E638 A639 S640 H644 K645 L646 F660 L663 | E638-M642 HydrophobicContact CG-CE 4.22Å; E638-M642 WeakPolarHBondContact O-CE 2.95Å; E638-M642 WeakPolarHBondContact O-CG 2.98Å; E638-M642 PolarHBondContact O-N 3.35Å; A639-M642 PolarHBondContact O-N 3.32Å; A639-M642 VanDerWaalsContact O-N 3.11Å; S640-M642 VanDerWaalsContact C-N 3.26Å; S640-M642 PolarHBondContact O-N 3.04Å; M642-H644 PolarHBondContact O-N 3.43Å; M642-K645 CarbonylContact O-C 3.53Å; M642-K645 WeakPolarHBondContact O-CA 3.46Å; M642-K645 WeakPolarHBondContact O-CB 3.18Å; M642-K645 PolarHBondContact O-N 3.13Å; M642-L646 WeakPolarHBondContact O-CB 3.01Å; M642-L646 PolarHBondContact O-N 3.43Å; M642-F660 HydrophobicContact CB-CD2 4.23Å; M642-F660 HydrophobicContact CB-CE2 4.27Å; M642-F660 HydrophobicContact CE-CD2 4.32Å; M642-F660 HydrophobicContact CE-CE2 4.2Å; M642-F660 HydrophobicContact SD-CD2 4.44Å; M642-L663 HydrophobicContact CE-CD2 3Å; M642-L663 HydrophobicContact CE-CG 4.42Å; M642-L663 HydrophobicContact SD-CD2 3.6Å; M642-L663 VanDerWaalsContact SD-CD2 3.6Å |
| 643 | F | 55 | Low | 49.9 | Very low | 9 Ų | 9 | 72.6 Ų | 72.6 | 4% | 0.039 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -52.9 | -41.7 | 165.2 | -82.6 | -65.6 | 0 | 0 | 0 | 109.6 | A639 S640 K645 L646 F647 F660 L678 | A639-F643 HydrophobicContact CB-CE2 4.45Å; A639-F643 WeakPolarHBondContact O-CD2 3.44Å; A639-F643 PolarHBondContact O-N 3.23Å; S640-F643 PolarHBondContact O-N 3.24Å; F643-K645 PolarHBondContact O-N 3.19Å; F643-L646 WeakPolarHBondContact O-CB 3.33Å; F643-L646 PolarHBondContact O-N 3.09Å; F643-F647 HydrophobicContact CB-CD2 4.42Å; F643-F647 HydrophobicContact CB-CE2 3.84Å; F643-F647 HydrophobicContact CB-CZ 4.35Å; F643-F647 HydrophobicContact CD1-CE2 4.17Å; F643-F647 AromaticContact CD1-CZ 3.83Å; F643-F647 HydrophobicContact CD1-CZ 3.83Å; F643-F647 HydrophobicContact CG-CE2 4.43Å; F643-F647 WeakPolarHBondContact O-CD2 3.42Å; F643-F647 WeakPolarHBondContact O-CG 2.95Å; F643-F647 PolarHBondContact O-N 3.48Å; F643-F660 HydrophobicContact CE2-CZ 4.44Å; F643-F660 HydrophobicContact CZ-CZ 4.22Å; F643-L678 HydrophobicContact CZ-CD1 4.06Å; F643-L678 HydrophobicContact CZ-CD2 4.43Å; F643-L678 HydrophobicContact CZ-CG 3.96Å |
| 644 | H | 56.4 | Low | 49.8 | Very low | 116 Ų | 116 | 73 Ų | 73 | 54% | 0.537 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 173.9 | -161.3 | 40.9 | 0 | 0 | 0 | 113.2 | S640 A641 M642 F647 M648 | S640-H644 WeakPolarHBondContact O-CB 3.31Å; S640-H644 PolarHBondContact O-N 3.37Å; A641-H644 WeakPolarHBondContact O-CB 2.94Å; M642-H644 PolarHBondContact O-N 3.43Å; H644-F647 PolarHBondContact O-N 3.13Å; H644-M648 WeakPolarHBondContact O-CB 3.13Å; H644-M648 VanDerWaalsContact O-CG 3.23Å; H644-M648 WeakPolarHBondContact O-CG 3.43Å; H644-M648 PolarHBondContact O-N 2.95Å |
| 645 | K | 57.8 | Low | 49.9 | Very low | 146 Ų | 146 | 72.1 Ų | 72.1 | 64% | 0.635 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.5 | -41.7 | 172.2 | -82.2 | -177.2 | 178 | 173.5 | 0 | 112.9 | A641 M642 F643 F647 M648 Q649 | A641-K645 PolarHBondContact O-N 3.22Å; A641-K645 VanDerWaalsContact O-N 3.11Å; M642-K645 CarbonylContact O-C 3.53Å; M642-K645 WeakPolarHBondContact O-CA 3.46Å; M642-K645 WeakPolarHBondContact O-CB 3.18Å; M642-K645 PolarHBondContact O-N 3.13Å; F643-K645 PolarHBondContact O-N 3.19Å; K645-F647 VanDerWaalsContact C-N 3.29Å; K645-F647 PolarHBondContact O-N 3.28Å; K645-M648 PolarHBondContact O-N 3.19Å; K645-Q649 PolarHBondContact O-N 3.29Å |
| 646 | L | 56.1 | Low | 50.9 | Low | 13 Ų | 13 | 72.9 Ų | 72.9 | 7% | 0.068 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.2 | -38.1 | 180 | -156.7 | 95.9 | 0 | 0 | 0 | 110.9 | M642 F643 C695 V699 | M642-L646 WeakPolarHBondContact O-CB 3.01Å; M642-L646 PolarHBondContact O-N 3.43Å; F643-L646 WeakPolarHBondContact O-CB 3.33Å; F643-L646 PolarHBondContact O-N 3.09Å; L646-C695 HydrophobicContact CD2-CB 3.85Å; L646-V699 HydrophobicContact CD2-CG2 3.89Å |
| 647 | F | 57.2 | Low | 51.9 | Low | 26 Ų | 26 | 70 Ų | 70 | 11% | 0.114 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -81.5 | -27.6 | 178.9 | -57.2 | -37 | 0 | 0 | 0 | 113.4 | F643 H644 K645 Y688 R691 E692 C695 | F643-F647 HydrophobicContact CB-CD2 4.42Å; F643-F647 HydrophobicContact CB-CE2 3.84Å; F643-F647 HydrophobicContact CB-CZ 4.35Å; F643-F647 HydrophobicContact CD1-CE2 4.17Å; F643-F647 AromaticContact CD1-CZ 3.83Å; F643-F647 HydrophobicContact CD1-CZ 3.83Å; F643-F647 HydrophobicContact CG-CE2 4.43Å; F643-F647 WeakPolarHBondContact O-CD2 3.42Å; F643-F647 WeakPolarHBondContact O-CG 2.95Å; F643-F647 PolarHBondContact O-N 3.48Å; H644-F647 PolarHBondContact O-N 3.13Å; K645-F647 VanDerWaalsContact C-N 3.29Å; K645-F647 PolarHBondContact O-N 3.28Å; F647-Y688 HydrophobicContact CE2-CE1 4.25Å; F647-Y688 HydrophobicContact CZ-CD1 4.42Å; F647-Y688 AromaticContact CZ-CE1 3.79Å; F647-Y688 HydrophobicContact CZ-CE1 3.79Å; F647-R691 VanDerWaalsContact O-CZ 3.26Å; F647-R691 PolarHBondContact O-NH1 3.43Å; F647-R691 PolarHBondContact O-NH2 2.93Å; F647-E692 HydrophobicContact CB-CG 4.14Å; F647-E692 HydrophobicContact CD1-CB 3.79Å; F647-E692 HydrophobicContact CD1-CG 3.57Å; F647-E692 HydrophobicContact CD2-CG 4.36Å; F647-E692 HydrophobicContact CE1-CB 3.73Å; F647-E692 HydrophobicContact CE1-CG 4.05Å; F647-E692 HydrophobicContact CG-CB 4.37Å; F647-E692 HydrophobicContact CG-CG 3.77Å; F647-E692 HydrophobicContact CZ-CB 4.26Å; F647-C695 HydrophobicContact CD1-CB 4.43Å; F647-C695 HydrophobicContact CE1-CB 4.11Å |
| 648 | M | 51.7 | Low | 52.7 | Low | 130 Ų | 130 | 74.8 Ų | 74.8 | 64% | 0.64 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -86.5 | -18.5 | -175.1 | -72.9 | -70.9 | 114.7 | 0 | 0 | 115.4 | H644 K645 | H644-M648 WeakPolarHBondContact O-CB 3.13Å; H644-M648 VanDerWaalsContact O-CG 3.23Å; H644-M648 WeakPolarHBondContact O-CG 3.43Å; H644-M648 PolarHBondContact O-N 2.95Å; K645-M648 PolarHBondContact O-N 3.19Å |
| 649 | Q | 48.1 | Very low | 53.5 | Low | 110 Ų | 110 | 76.9 Ų | 76.9 | 51% | 0.514 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -87.2 | 135.6 | -176.6 | -74.6 | -167.7 | -4.6 | 0 | 0 | 114.6 | K645 R691 | K645-Q649 PolarHBondContact O-N 3.29Å; Q649-R691 PolarHBondContact O-NH2 2.87Å |
| 650 | P | 45.9 | Very low | 54.5 | Low | 104 Ų | 104 | 76.8 Ų | 76.8 | 68% | 0.675 | 42% | 0.419 | S | S | * | . | trans | -70.1 | 164.4 | 177.4 | 29 | -32.1 | 0 | 0 | 0 | 112.2 | Q652 | P650-Q652 PolarHBondContact O-N 3.16Š| ||
| 651 | P | 44.6 | Very low | 55.2 | Low | 120 Ų | 120 | 74 Ų | 74 | 78% | 0.779 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -77.7 | 89.2 | -144.3 | 31.5 | -35.1 | 0 | 0 | 0 | 113.7 | ||
| 652 | Q | 45.4 | Very low | 55.8 | Low | 157 Ų | 157 | 76.2 Ų | 76.2 | 73% | 0.734 | 40% | 0.402 | S | S | * | . | trans | -123.6 | 63.1 | 151.4 | -65.6 | -158.2 | 3.9 | 0 | 0 | 109.3 | P650 G654 S655 | P650-Q652 PolarHBondContact O-N 3.16Å; Q652-G654 PolarHBondContact O-N 3.17Å; Q652-S655 PolarHBondContact O-N 3.4Å; Q652-S655 PolarHBondContact O-OG 2.59Å | ||
| 653 | M | 42.1 | Very low | 56.5 | Low | 94 Ų | 94 | 75.4 Ų | 75.4 | 46% | 0.463 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -49.3 | -28.3 | -169.1 | -83.1 | -81.3 | -121.9 | 0 | 0 | 116.2 | C695 | M653-C695 WeakPolarHBondContact CE-SG 3.26Å |
| 654 | G | 48.3 | Very low | 56.8 | Low | 52 Ų | 52 | 75.8 Ų | 75.8 | 54% | 0.536 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -70 | -46.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q652 T656 E658 | Q652-G654 PolarHBondContact O-N 3.17Å; G654-T656 PolarHBondContact O-N 2.83Å; G654-E658 PolarHBondContact O-N 3.01Å |
| 655 | S | 50.4 | Low | 57.3 | Low | 56 Ų | 56 | 74 Ų | 74 | 39% | 0.392 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -70.7 | -29.5 | -170.8 | 67.7 | 0 | 0 | 0 | 0 | 114 | Q652 Q659 | Q652-S655 PolarHBondContact O-N 3.4Å; Q652-S655 PolarHBondContact O-OG 2.59Å; S655-Q659 VanDerWaalsContact O-CG 3.27Å; S655-Q659 WeakPolarHBondContact O-CG 3.26Å; S655-Q659 PolarHBondContact O-N 2.77Å; S655-Q659 PolarHBondContact O-NE2 3.03Å |
| 656 | T | 62.2 | Low | 57.5 | Low | 23 Ų | 23 | 75.1 Ų | 75.1 | 14% | 0.141 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -80 | -34.9 | -178.4 | 21.1 | 0 | 0 | 0 | 0 | 113.4 | G654 F660 | G654-T656 PolarHBondContact O-N 2.83Å; T656-F660 PolarHBondContact O-N 3.35Å; T656-F660 VanDerWaalsContact O-N 3.15Å |
| 657 | V | 63.4 | Low | 57.4 | Low | 19 Ų | 19 | 75.3 Ų | 75.3 | 12% | 0.115 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69.5 | -39.9 | 175.7 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | F660 L661 V699 | V657-F660 PolarHBondContact O-N 3.31Å; V657-L661 HydrophobicContact CG1-CD1 4.11Å; V657-L661 HydrophobicContact CG1-CG 4.44Å; V657-L661 WeakPolarHBondContact O-CG 3.48Å; V657-L661 PolarHBondContact O-N 3.06Å; V657-V699 HydrophobicContact CG1-CG2 4.21Å; V657-V699 HydrophobicContact CG2-CG2 4.31Å |
| 658 | E | 69.1 | Low | 57.1 | Low | 133 Ų | 133 | 78.6 Ų | 78.6 | 62% | 0.621 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.7 | -43.5 | 173.9 | -77.2 | -175.4 | 166.4 | 0 | 0 | 112.3 | G654 F660 L661 D662 | G654-E658 PolarHBondContact O-N 3.01Å; E658-F660 VanDerWaalsContact C-N 3.27Å; E658-F660 PolarHBondContact O-N 3.25Å; E658-L661 PolarHBondContact O-N 2.58Å; E658-L661 VanDerWaalsContact O-N 3.12Å; E658-D662 PolarHBondContact O-N 2.92Å |
| 659 | Q | 65.4 | Low | 57.3 | Low | 127 Ų | 127 | 80.4 Ų | 80.4 | 59% | 0.593 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -59.1 | -38.8 | 174.9 | -76 | 171.2 | 39.1 | 0 | 0 | 112.5 | S655 L663 | S655-Q659 VanDerWaalsContact O-CG 3.27Å; S655-Q659 WeakPolarHBondContact O-CG 3.26Å; S655-Q659 PolarHBondContact O-N 2.77Å; S655-Q659 PolarHBondContact O-NE2 3.03Å; Q659-L663 PolarHBondContact O-N 2.99Å |
| 660 | F | 65.8 | Low | 57.1 | Low | 11 Ų | 11 | 76.9 Ų | 76.9 | 5% | 0.048 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 175.4 | -172.3 | -90.4 | 0 | 0 | 0 | 111.6 | M642 F643 T656 V657 E658 L663 M664 L678 V699 | M642-F660 HydrophobicContact CB-CD2 4.23Å; M642-F660 HydrophobicContact CB-CE2 4.27Å; M642-F660 HydrophobicContact CE-CD2 4.32Å; M642-F660 HydrophobicContact CE-CE2 4.2Å; M642-F660 HydrophobicContact SD-CD2 4.44Å; F643-F660 HydrophobicContact CE2-CZ 4.44Å; F643-F660 HydrophobicContact CZ-CZ 4.22Å; T656-F660 PolarHBondContact O-N 3.35Å; T656-F660 VanDerWaalsContact O-N 3.15Å; V657-F660 PolarHBondContact O-N 3.31Å; E658-F660 VanDerWaalsContact C-N 3.27Å; E658-F660 PolarHBondContact O-N 3.25Å; F660-L663 PolarHBondContact O-N 3.43Å; F660-M664 HydrophobicContact CD1-CG 3.96Å; F660-M664 HydrophobicContact CE1-CG 3.61Å; F660-M664 HydrophobicContact CE1-SD 4.21Å; F660-M664 HydrophobicContact CZ-CG 4.22Å; F660-M664 HydrophobicContact CZ-SD 4.35Å; F660-M664 WeakPolarHBondContact O-CG 3.48Å; F660-M664 PolarHBondContact O-N 3.14Å; F660-L678 HydrophobicContact CE1-CD1 3.89Å; F660-L678 HydrophobicContact CZ-CD1 4.05Å; F660-V699 HydrophobicContact CD1-CG1 3.55Å; F660-V699 HydrophobicContact CE1-CG1 3.41Å; F660-V699 VanDerWaalsContact CE1-CG1 3.41Å; F660-V699 HydrophobicContact CZ-CG1 4.34Å |
| 661 | L | 68 | Low | 57.1 | Low | 7 Ų | 7 | 77.9 Ų | 77.9 | 4% | 0.037 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.8 | -39.9 | 177.4 | -69.5 | 168.5 | 0 | 0 | 0 | 112.6 | V657 E658 L663 M664 K665 L708 | V657-L661 HydrophobicContact CG1-CD1 4.11Å; V657-L661 HydrophobicContact CG1-CG 4.44Å; V657-L661 WeakPolarHBondContact O-CG 3.48Å; V657-L661 PolarHBondContact O-N 3.06Å; E658-L661 PolarHBondContact O-N 2.58Å; E658-L661 VanDerWaalsContact O-N 3.12Å; L661-L663 VanDerWaalsContact C-N 3.28Å; L661-L663 PolarHBondContact O-N 2.87Å; L661-M664 PolarHBondContact O-N 3.17Å; L661-K665 WeakPolarHBondContact O-CB 3.47Å; L661-K665 VanDerWaalsContact O-CG 3.31Å; L661-K665 WeakPolarHBondContact O-CG 3.23Å; L661-K665 PolarHBondContact O-N 3.48Å; L661-L708 HydrophobicContact CD2-CD1 3.62Å |
| 662 | D | 70.4 | Confident | 56.8 | Low | 104 Ų | 104 | 76 Ų | 76 | 56% | 0.556 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62.7 | -37.9 | 176.2 | -80.7 | -12.3 | 0 | 0 | 0 | 111.5 | E658 R666 | E658-D662 PolarHBondContact O-N 2.92Å; D662-R666 WeakPolarHBondContact O-CB 3.44Å; D662-R666 PolarHBondContact O-N 2.87Å |
| 663 | L | 63.9 | Low | 56.7 | Low | 27 Ų | 27 | 76.7 Ų | 76.7 | 14% | 0.141 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -68.9 | -45.4 | 173.5 | -168 | 81.7 | 0 | 0 | 0 | 111.8 | M642 Q659 F660 L661 K665 R666 L667 | M642-L663 HydrophobicContact CE-CD2 3Å; M642-L663 HydrophobicContact CE-CG 4.42Å; M642-L663 HydrophobicContact SD-CD2 3.6Å; M642-L663 VanDerWaalsContact SD-CD2 3.6Å; Q659-L663 PolarHBondContact O-N 2.99Å; F660-L663 PolarHBondContact O-N 3.43Å; L661-L663 VanDerWaalsContact C-N 3.28Å; L661-L663 PolarHBondContact O-N 2.87Å; L663-K665 VanDerWaalsContact C-N 3.28Å; L663-K665 PolarHBondContact O-N 3.01Å; L663-R666 CarbonylContact O-C 3.35Å; L663-R666 WeakPolarHBondContact O-CA 3.4Å; L663-R666 WeakPolarHBondContact O-CB 3.22Å; L663-R666 PolarHBondContact O-N 2.91Å; L663-L667 HydrophobicContact CD2-CD1 4.16Å; L663-L667 HydrophobicContact CG-CD1 4.18Å; L663-L667 HydrophobicContact CG-CG 4.33Å; L663-L667 WeakPolarHBondContact O-CG 3.32Å; L663-L667 PolarHBondContact O-N 3.42Å |
| 664 | M | 60.4 | Low | 57.1 | Low | 17 Ų | 17 | 75.9 Ų | 75.9 | 8% | 0.084 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.4 | -41.2 | 176.1 | -74.2 | -68.1 | -64.8 | 0 | 0 | 111.3 | F660 L661 R666 L667 K668 L708 | F660-M664 HydrophobicContact CD1-CG 3.96Å; F660-M664 HydrophobicContact CE1-CG 3.61Å; F660-M664 HydrophobicContact CE1-SD 4.21Å; F660-M664 HydrophobicContact CZ-CG 4.22Å; F660-M664 HydrophobicContact CZ-SD 4.35Å; F660-M664 WeakPolarHBondContact O-CG 3.48Å; F660-M664 PolarHBondContact O-N 3.14Å; L661-M664 PolarHBondContact O-N 3.17Å; M664-R666 VanDerWaalsContact C-N 3.32Å; M664-R666 PolarHBondContact O-N 3.21Å; M664-L667 PolarHBondContact O-N 2.96Å; M664-L667 HydrophobicContact SD-CD1 4.4Å; M664-K668 PolarHBondContact O-N 2.82Å; M664-L708 HydrophobicContact CB-CD1 3.76Å; M664-L708 HydrophobicContact CB-CD2 4.42Å |
| 665 | K | 67.8 | Low | 57.1 | Low | 79 Ų | 79 | 74.3 Ų | 74.3 | 34% | 0.343 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57 | -45.4 | 171.5 | -75.4 | 174.7 | 179.2 | -178.7 | 0 | 111.6 | L661 L663 L667 K668 E669 E706 L708 | L661-K665 WeakPolarHBondContact O-CB 3.47Å; L661-K665 VanDerWaalsContact O-CG 3.31Å; L661-K665 WeakPolarHBondContact O-CG 3.23Å; L661-K665 PolarHBondContact O-N 3.48Å; L663-K665 VanDerWaalsContact C-N 3.28Å; L663-K665 PolarHBondContact O-N 3.01Å; K665-L667 VanDerWaalsContact C-N 3.34Å; K665-L667 PolarHBondContact O-N 3.27Å; K665-K668 WeakPolarHBondContact O-CB 3.38Å; K665-K668 PolarHBondContact O-N 3.14Å; K665-E669 PolarHBondContact O-N 3.29Å; K665-E706 VanDerWaalsContact CE-OE2 3.29Å; K665-E706 WeakPolarHBondContact CE-OE2 3.28Å; K665-E706 IonicContact NZ-OE2 3.2Å; K665-E706 PolarHBondContact NZ-OE2 3.22Å; K665-L708 HydrophobicContact CB-CD2 4.36Å; K665-L708 HydrophobicContact CG-CD2 3.67Å |
| 666 | R | 62 | Low | 57.2 | Low | 169 Ų | 169 | 72.5 Ų | 72.5 | 64% | 0.638 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.4 | -33.8 | 177.7 | -161.2 | 176.7 | 79.7 | 155 | 3.3 | 113 | D662 L663 M664 | D662-R666 WeakPolarHBondContact O-CB 3.44Å; D662-R666 PolarHBondContact O-N 2.87Å; L663-R666 CarbonylContact O-C 3.35Å; L663-R666 WeakPolarHBondContact O-CA 3.4Å; L663-R666 WeakPolarHBondContact O-CB 3.22Å; L663-R666 PolarHBondContact O-N 2.91Å; M664-R666 VanDerWaalsContact C-N 3.32Å; M664-R666 PolarHBondContact O-N 3.21Å |
| 667 | L | 52.6 | Low | 56.9 | Low | 17 Ų | 17 | 72.4 Ų | 72.4 | 9% | 0.089 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -71.7 | -33.2 | 176.1 | -70.2 | 171.3 | 0 | 0 | 0 | 111.6 | L663 M664 K665 E669 S670 R674 | L663-L667 HydrophobicContact CD2-CD1 4.16Å; L663-L667 HydrophobicContact CG-CD1 4.18Å; L663-L667 HydrophobicContact CG-CG 4.33Å; L663-L667 WeakPolarHBondContact O-CG 3.32Å; L663-L667 PolarHBondContact O-N 3.42Å; M664-L667 PolarHBondContact O-N 2.96Å; M664-L667 HydrophobicContact SD-CD1 4.4Å; K665-L667 VanDerWaalsContact C-N 3.34Å; K665-L667 PolarHBondContact O-N 3.27Å; L667-E669 VanDerWaalsContact C-N 3.29Å; L667-E669 PolarHBondContact O-N 3.45Å; L667-S670 WeakPolarHBondContact O-CB 3.43Å; L667-S670 PolarHBondContact O-N 2.68Å; L667-S670 VanDerWaalsContact O-N 3.13Å; L667-R674 HydrophobicContact CD2-CB 4.33Å |
| 668 | K | 52.7 | Low | 56.7 | Low | 94 Ų | 94 | 71.8 Ų | 71.8 | 41% | 0.409 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.9 | -36.6 | 173.7 | -161.2 | 170.7 | 179.5 | -173.6 | 0 | 113.3 | M664 K665 S670 E675 R707 L708 | M664-K668 PolarHBondContact O-N 2.82Å; K665-K668 WeakPolarHBondContact O-CB 3.38Å; K665-K668 PolarHBondContact O-N 3.14Å; K668-S670 VanDerWaalsContact C-N 3.26Å; K668-S670 PolarHBondContact O-N 3.26Å; K668-E675 VanDerWaalsContact CA-CD 3.45Å; K668-E675 WeakPolarHBondContact CA-OE1 3.3Å; K668-E675 WeakPolarHBondContact CB-OE1 3.31Å; K668-E675 PolarHBondContact N-OE1 3.12Å; K668-R707 PolarHBondContact NZ-O 3.25Å; K668-L708 HydrophobicContact CD-CD2 4.23Å |
| 669 | E | 54.1 | Low | 56.4 | Low | 168 Ų | 168 | 65.7 Ų | 65.7 | 79% | 0.785 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -12.2 | 177.8 | -67.7 | 178.4 | 174.2 | 0 | 0 | 113 | K665 L667 | K665-E669 PolarHBondContact O-N 3.29Å; L667-E669 VanDerWaalsContact C-N 3.29Å; L667-E669 PolarHBondContact O-N 3.45Å |
| 670 | S | 44.2 | Very low | 56 | Low | 36 Ų | 36 | 61 Ų | 61 | 25% | 0.252 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -77.6 | 132 | 178.3 | 142.7 | 0 | 0 | 0 | 0 | 111.2 | L667 K668 V672 | L667-S670 WeakPolarHBondContact O-CB 3.43Å; L667-S670 PolarHBondContact O-N 2.68Å; L667-S670 VanDerWaalsContact O-N 3.13Å; K668-S670 VanDerWaalsContact C-N 3.26Å; K668-S670 PolarHBondContact O-N 3.26Å; S670-V672 PolarHBondContact O-N 3.22Å; S670-V672 VanDerWaalsContact O-N 3.09Å; S670-V672 PolarHBondContact OG-N 2.88Å; S670-V672 PolarHBondContact OG-O 3.47Å |
| 671 | S | 45.6 | Very low | 56 | Low | 126 Ų | 126 | 62.6 Ų | 62.6 | 88% | 0.881 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -66.3 | -9.7 | 178.9 | 60.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 672 | V | 39.8 | Very low | 55.5 | Low | 79 Ų | 79 | 63.6 Ų | 63.6 | 48% | 0.479 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -98.6 | 135 | 178.6 | -173.1 | 0 | 0 | 0 | 0 | 109 | S670 R674 | S670-V672 PolarHBondContact O-N 3.22Å; S670-V672 VanDerWaalsContact O-N 3.09Å; S670-V672 PolarHBondContact OG-N 2.88Å; S670-V672 PolarHBondContact OG-O 3.47Å; V672-R674 VanDerWaalsContact O-CG 3.31Å; V672-R674 WeakPolarHBondContact O-CG 3.29Å; V672-R674 PolarHBondContact O-N 3.2Å |
| 673 | K | 43.2 | Very low | 55 | Low | 173 Ų | 173 | 64.7 Ų | 64.7 | 75% | 0.752 | 31% | 0.307 | S | S | * | . | trans | -74.2 | 91.1 | -164.1 | -59.1 | 173.3 | -178.6 | 178 | 0 | 113.4 | ||||
| 674 | R | 49.6 | Very low | 55 | Low | 77 Ų | 77 | 67.1 Ų | 67.1 | 29% | 0.291 | 32% | 0.316 | S | S | . | . | trans | -115.6 | 6.6 | -164.9 | -63.3 | -178.1 | 178.9 | 172.1 | -2.5 | 118.9 | V635 L667 V672 | V635-R674 HydrophobicContact CG1-CB 3.95Å; V635-R674 WeakPolarHBondContact CG1-O 3.27Å; V635-R674 HydrophobicContact CG2-CB 3.87Å; V635-R674 HydrophobicContact CG2-CG 3.52Å; L667-R674 HydrophobicContact CD2-CB 4.33Å; V672-R674 VanDerWaalsContact O-CG 3.31Å; V672-R674 WeakPolarHBondContact O-CG 3.29Å; V672-R674 PolarHBondContact O-N 3.2Å | ||
| 675 | E | 49.5 | Very low | 55.3 | Low | 18 Ų | 18 | 66.5 Ų | 66.5 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | trans | -115.1 | 4.6 | -153.4 | -60 | -169.8 | 120.2 | 0 | 0 | 120.8 | K668 | K668-E675 VanDerWaalsContact CA-CD 3.45Å; K668-E675 WeakPolarHBondContact CA-OE1 3.3Å; K668-E675 WeakPolarHBondContact CB-OE1 3.31Å; K668-E675 PolarHBondContact N-OE1 3.12Å | ||
| 676 | N | 51.7 | Low | 55.3 | Low | 18 Ų | 18 | 66.3 Ų | 66.3 | 10% | 0.096 | 32% | 0.316 | C | S | . | . | trans | -92.3 | 0.8 | -169.6 | -44.5 | -35.2 | 0 | 0 | 0 | 116.4 | L628 F631 L678 I679 | L628-N676 HydrophobicContact CD2-CB 4.35Å; F631-N676 HydrophobicContact CE1-CB 3.36Å; F631-N676 HydrophobicContact CZ-CB 3.29Å; F631-N676 WeakPolarHBondContact CZ-O 3.34Å; N676-L678 VanDerWaalsContact C-N 3.33Å; N676-L678 PolarHBondContact O-N 3.29Å; N676-I679 PolarHBondContact O-N 3.32Å | ||
| 677 | N | 55.9 | Low | 55.6 | Low | 21 Ų | 21 | 62.6 Ų | 62.6 | 11% | 0.112 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.6 | -36.8 | -169.9 | -91.2 | -38.1 | 0 | 0 | 0 | 114.7 | F631 V635 Q636 A639 I679 E680 E681 | F631-N677 WeakPolarHBondContact CD2-OD1 3.46Å; F631-N677 HydrophobicContact CE2-CB 4.44Å; F631-N677 WeakPolarHBondContact CE2-OD1 3.28Å; F631-N677 HydrophobicContact CZ-CB 4.47Å; V635-N677 PolarHBondContact O-ND2 3.48Å; Q636-N677 WeakPolarHBondContact CA-ND2 2.96Å; A639-N677 HydrophobicContact CB-CB 4.39Å; A639-N677 WeakPolarHBondContact CB-ND2 3.33Å; N677-I679 VanDerWaalsContact C-N 3.34Å; N677-I679 PolarHBondContact O-N 3.24Å; N677-E680 PolarHBondContact O-N 2.91Å; N677-E681 PolarHBondContact O-N 3.47Å |
| 678 | L | 59.7 | Low | 56.2 | Low | 7 Ų | 7 | 63.3 Ų | 63.3 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.6 | -24.6 | -174.1 | -103.3 | 124.5 | 0 | 0 | 0 | 114.3 | F643 F660 N676 V699 F700 F709 | F643-L678 HydrophobicContact CZ-CD1 4.06Å; F643-L678 HydrophobicContact CZ-CD2 4.43Å; F643-L678 HydrophobicContact CZ-CG 3.96Å; F660-L678 HydrophobicContact CE1-CD1 3.89Å; F660-L678 HydrophobicContact CZ-CD1 4.05Å; N676-L678 VanDerWaalsContact C-N 3.33Å; N676-L678 PolarHBondContact O-N 3.29Å; L678-V699 HydrophobicContact CD1-CG1 4.03Å; L678-V699 HydrophobicContact CD2-CG1 4.02Å; L678-F700 HydrophobicContact CB-CD2 4.31Å; L678-F700 HydrophobicContact CD2-CB 4.02Å; L678-F700 HydrophobicContact CD2-CD2 3.7Å; L678-F700 HydrophobicContact CD2-CG 4.34Å; L678-F709 HydrophobicContact CB-CE1 4.17Å; L678-F709 HydrophobicContact CB-CZ 4.2Å |
| 679 | I | 62.1 | Low | 57 | Low | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -78.8 | -37.7 | 178.8 | -63.1 | 177.1 | 0 | 0 | 0 | 109.8 | N676 N677 F682 F709 F713 I716 L720 | N676-I679 PolarHBondContact O-N 3.32Å; N677-I679 VanDerWaalsContact C-N 3.34Å; N677-I679 PolarHBondContact O-N 3.24Å; I679-F682 WeakPolarHBondContact O-CB 3.36Å; I679-F682 PolarHBondContact O-N 3.5Å; I679-F709 HydrophobicContact CD1-CD1 3.88Å; I679-F709 HydrophobicContact CD1-CE1 4.05Å; I679-F709 HydrophobicContact CG1-CD1 4.12Å; I679-F709 HydrophobicContact CG1-CE1 3.76Å; I679-F713 HydrophobicContact CD1-CB 3.74Å; I679-F713 HydrophobicContact CD1-CD1 4.23Å; I679-F713 HydrophobicContact CD1-CG 4.11Å; I679-I716 HydrophobicContact CG2-CG2 4.15Å; I679-L720 HydrophobicContact CG2-CD1 3.95Å |
| 680 | E | 56.7 | Low | 57.9 | Low | 29 Ų | 29 | 57 Ų | 57 | 14% | 0.136 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 176.8 | -112.1 | -175.2 | -135.2 | 0 | 0 | 112.8 | I625 N677 F682 R683 | I625-E680 HydrophobicContact CG2-CB 4.48Å; I625-E680 HydrophobicContact CG2-CG 3.26Å; N677-E680 PolarHBondContact O-N 2.91Å; E680-F682 PolarHBondContact O-N 3.23Å; E680-R683 VanDerWaalsContact O-CG 3.29Å; E680-R683 WeakPolarHBondContact O-CG 3.45Å; E680-R683 PolarHBondContact O-NE 3.27Å; E680-R683 IonicContact OE2-NH2 3.25Å |
| 681 | E | 65.5 | Low | 59.4 | Low | 45 Ų | 45 | 60.1 Ų | 60.1 | 21% | 0.21 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -65.9 | -18 | 177.1 | -86.9 | -156.3 | 154 | 0 | 0 | 113.5 | N677 R683 F684 Y688 | N677-E681 PolarHBondContact O-N 3.47Å; E681-R683 PolarHBondContact O-N 3.07Å; E681-R683 VanDerWaalsContact O-N 3.1Å; E681-F684 PolarHBondContact O-N 2.83Å; E681-Y688 PolarHBondContact OE1-OH 3Å; E681-Y688 PolarHBondContact OE2-OH 3.5Å; E681-Y688 VanDerWaalsContact OE2-OH 3.11Å |
| 682 | F | 58.6 | Low | 60.9 | Low | 27 Ų | 27 | 55.8 Ų | 55.8 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -56.3 | -32.6 | -177 | -154.9 | -85.3 | 0 | 0 | 0 | 112.8 | I679 E680 F684 L685 F700 L720 V724 F736 | I679-F682 WeakPolarHBondContact O-CB 3.36Å; I679-F682 PolarHBondContact O-N 3.5Å; E680-F682 PolarHBondContact O-N 3.23Å; F682-F684 PolarHBondContact O-N 3.31Å; F682-L685 HydrophobicContact CB-CD1 4.31Å; F682-L685 HydrophobicContact CD1-CD1 3.72Å; F682-L685 HydrophobicContact CD2-CD1 3.42Å; F682-L685 VanDerWaalsContact CD2-CD1 3.42Å; F682-L685 HydrophobicContact CE1-CD1 3.81Å; F682-L685 HydrophobicContact CE2-CD1 3.51Å; F682-L685 HydrophobicContact CG-CD1 3.54Å; F682-L685 HydrophobicContact CG-CG 4.42Å; F682-L685 HydrophobicContact CZ-CD1 3.71Å; F682-L685 VanDerWaalsContact O-CG 3.31Å; F682-L685 WeakPolarHBondContact O-CG 3.44Å; F682-L685 PolarHBondContact O-N 2.87Å; F682-F700 HydrophobicContact CD2-CD2 4.4Å; F682-F700 AromaticContact CD2-CE2 3.85Å; F682-F700 HydrophobicContact CD2-CE2 3.85Å; F682-F700 AromaticContact CD2-CZ 3.9Å; F682-F700 HydrophobicContact CD2-CZ 3.9Å; F682-F700 HydrophobicContact CE2-CE1 4.15Å; F682-F700 HydrophobicContact CE2-CE2 4.29Å; F682-F700 AromaticContact CE2-CZ 3.98Å; F682-F700 HydrophobicContact CE2-CZ 3.98Å; F682-L720 HydrophobicContact CB-CD1 4.17Å; F682-L720 HydrophobicContact CD1-CB 4.11Å; F682-L720 HydrophobicContact CD1-CD1 4.25Å; F682-L720 HydrophobicContact CD1-CD2 3.68Å; F682-L720 HydrophobicContact CD1-CG 4.22Å; F682-L720 HydrophobicContact CD2-CB 4.12Å; F682-L720 HydrophobicContact CD2-CD1 4.07Å; F682-L720 HydrophobicContact CE1-CB 3.71Å; F682-L720 HydrophobicContact CE1-CD2 3.86Å; F682-L720 HydrophobicContact CE1-CG 4.27Å; F682-L720 HydrophobicContact CE2-CB 3.73Å; F682-L720 HydrophobicContact CG-CB 4.28Å; F682-L720 HydrophobicContact CG-CD1 3.91Å; F682-L720 HydrophobicContact CG-CD2 4.19Å; F682-L720 HydrophobicContact CG-CG 4.36Å; F682-L720 HydrophobicContact CZ-CB 3.49Å; F682-L720 VanDerWaalsContact CZ-CB 3.49Å; F682-L720 HydrophobicContact CZ-CG 4.46Å; F682-L720 WeakPolarHBondContact CZ-O 3.25Å; F682-V724 HydrophobicContact CE1-CG2 3.84Å; F682-V724 HydrophobicContact CE2-CG2 4.35Å; F682-V724 HydrophobicContact CZ-CG2 3.28Å; F682-F736 HydrophobicContact CD2-CE1 4.49Å; F682-F736 HydrophobicContact CD2-CZ 4.47Å; F682-F736 AromaticContact CE2-CE1 3.58Å; F682-F736 HydrophobicContact CE2-CE1 3.58Å; F682-F736 AromaticContact CE2-CZ 3.95Å; F682-F736 HydrophobicContact CE2-CZ 3.95Å; F682-F736 AromaticContact CZ-CE1 3.97Å; F682-F736 HydrophobicContact CZ-CE1 3.97Å |
| 683 | R | 60.2 | Low | 62.8 | Low | 127 Ų | 127 | 52.3 Ų | 52.3 | 48% | 0.479 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -63.2 | -22 | 177.2 | 72 | -166.2 | 161.4 | 170.7 | -5.4 | 113.6 | E680 E681 | E680-R683 VanDerWaalsContact O-CG 3.29Å; E680-R683 WeakPolarHBondContact O-CG 3.45Å; E680-R683 PolarHBondContact O-NE 3.27Å; E680-R683 IonicContact OE2-NH2 3.25Å; E681-R683 PolarHBondContact O-N 3.07Å; E681-R683 VanDerWaalsContact O-N 3.1Å |
| 684 | F | 64 | Low | 64.4 | Low | 79 Ų | 79 | 51.7 Ų | 51.7 | 35% | 0.346 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -102.3 | 3.2 | -178.2 | -52.1 | -67.6 | 0 | 0 | 0 | 113.7 | E681 F682 N686 E687 Y688 | E681-F684 PolarHBondContact O-N 2.83Å; F682-F684 PolarHBondContact O-N 3.31Å; F684-N686 PolarHBondContact O-N 2.95Å; F684-E687 WeakPolarHBondContact O-CB 3.23Å; F684-E687 WeakPolarHBondContact O-CG 2.98Å; F684-E687 PolarHBondContact O-N 3.33Å; F684-Y688 HydrophobicContact CB-CE2 4.32Å; F684-Y688 WeakPolarHBondContact O-CD2 3.32Å |
| 685 | L | 66.4 | Low | 65.7 | Low | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -56.5 | -30.1 | -177.1 | -72.8 | 172.2 | 0 | 0 | 0 | 113.5 | F682 E687 Y688 L693 T696 L733 F736 | F682-L685 HydrophobicContact CB-CD1 4.31Å; F682-L685 HydrophobicContact CD1-CD1 3.72Å; F682-L685 HydrophobicContact CD2-CD1 3.42Å; F682-L685 VanDerWaalsContact CD2-CD1 3.42Å; F682-L685 HydrophobicContact CE1-CD1 3.81Å; F682-L685 HydrophobicContact CE2-CD1 3.51Å; F682-L685 HydrophobicContact CG-CD1 3.54Å; F682-L685 HydrophobicContact CG-CG 4.42Å; F682-L685 HydrophobicContact CZ-CD1 3.71Å; F682-L685 VanDerWaalsContact O-CG 3.31Å; F682-L685 WeakPolarHBondContact O-CG 3.44Å; F682-L685 PolarHBondContact O-N 2.87Å; L685-E687 PolarHBondContact O-N 3.29Å; L685-Y688 PolarHBondContact O-N 3.35Å; L685-L693 HydrophobicContact CB-CD1 3.91Å; L685-L693 HydrophobicContact CD2-CD1 3.62Å; L685-L693 HydrophobicContact CG-CD1 4.32Å; L685-L693 WeakPolarHBondContact O-CD1 3.22Å; L685-T696 HydrophobicContact CD2-CG2 3.91Å; L685-L733 HydrophobicContact CB-CD2 3.98Å; L685-F736 HydrophobicContact CD1-CD1 4.13Å; L685-F736 HydrophobicContact CD1-CD2 4.3Å; L685-F736 HydrophobicContact CD1-CE1 3.68Å; L685-F736 HydrophobicContact CD1-CE2 3.86Å; L685-F736 HydrophobicContact CD1-CG 4.45Å; L685-F736 HydrophobicContact CD1-CZ 3.53Å; L685-F736 HydrophobicContact CD2-CD2 3.95Å; L685-F736 HydrophobicContact CD2-CE2 3.42Å; L685-F736 VanDerWaalsContact CD2-CE2 3.42Å; L685-F736 HydrophobicContact CD2-CZ 3.88Å; L685-F736 HydrophobicContact CG-CE2 4.29Å; L685-F736 HydrophobicContact CG-CZ 4.39Å |
| 686 | N | 68.3 | Low | 67.3 | Low | 75 Ų | 75 | 47.5 Ų | 47.5 | 40% | 0.401 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -60.5 | -24.4 | 175.4 | -76.9 | -34.7 | 0 | 0 | 0 | 113.5 | F684 L733 | F684-N686 PolarHBondContact O-N 2.95Å; N686-L733 WeakPolarHBondContact OD1-CD1 3.36Å; N686-L733 WeakPolarHBondContact OD1-CD2 3.22Å; N686-L733 WeakPolarHBondContact OD1-CG 3.49Å |
| 687 | E | 67.5 | Low | 68.8 | Low | 91 Ų | 91 | 46.6 Ų | 46.6 | 43% | 0.425 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -87.5 | -14.2 | -176.4 | -43.6 | -166.5 | 176 | 0 | 0 | 113.6 | F684 L685 V843 | F684-E687 WeakPolarHBondContact O-CB 3.23Å; F684-E687 WeakPolarHBondContact O-CG 2.98Å; F684-E687 PolarHBondContact O-N 3.33Å; L685-E687 PolarHBondContact O-N 3.29Å; E687-V843 HydrophobicContact CB-CB 4.49Å; E687-V843 HydrophobicContact CB-CG1 4.29Å; E687-V843 HydrophobicContact CB-CG2 3.46Å; E687-V843 VanDerWaalsContact CB-CG2 3.46Å; E687-V843 HydrophobicContact CG-CB 4.05Å; E687-V843 HydrophobicContact CG-CG1 3.55Å; E687-V843 HydrophobicContact CG-CG2 3.49Å; E687-V843 VanDerWaalsContact CG-CG2 3.49Å; E687-V843 VanDerWaalsContact OE1-CG1 3.29Å; E687-V843 WeakPolarHBondContact OE1-CG1 3.33Å |
| 688 | Y | 64.3 | Low | 70.1 | Confident | 32 Ų | 32 | 46.4 Ų | 46.4 | 13% | 0.125 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -75.7 | 134.9 | -173.9 | -80.8 | -133.4 | 0 | 0 | 0 | 110.4 | F647 E681 F684 L685 E692 T696 K732 | F647-Y688 HydrophobicContact CE2-CE1 4.25Å; F647-Y688 HydrophobicContact CZ-CD1 4.42Å; F647-Y688 AromaticContact CZ-CE1 3.79Å; F647-Y688 HydrophobicContact CZ-CE1 3.79Å; E681-Y688 PolarHBondContact OE1-OH 3Å; E681-Y688 PolarHBondContact OE2-OH 3.5Å; E681-Y688 VanDerWaalsContact OE2-OH 3.11Å; F684-Y688 HydrophobicContact CB-CE2 4.32Å; F684-Y688 WeakPolarHBondContact O-CD2 3.32Å; L685-Y688 PolarHBondContact O-N 3.35Å; Y688-E692 HydrophobicContact CD1-CB 4.04Å; Y688-T696 WeakPolarHBondContact CE1-OG1 3.39Å; Y688-K732 PolarHBondContact O-NZ 3.06Å |
| 689 | P | 71 | Confident | 71.1 | Confident | 74 Ų | 74 | 46.1 Ų | 46.1 | 48% | 0.481 | 21% | 0.21 | S | C | . | . | trans | -63.2 | 156.5 | 167.9 | 0.4 | 7.8 | 0 | 0 | 0 | 110.7 | R691 E692 L693 | P689-R691 PolarHBondContact O-N 3.1Å; P689-E692 WeakPolarHBondContact CB-OE2 3.48Å; P689-E692 HydrophobicContact CG-CG 4.34Å; P689-E692 VanDerWaalsContact CG-OE2 3.3Å; P689-E692 WeakPolarHBondContact CG-OE2 3.47Å; P689-E692 PolarHBondContact O-N 3.31Å; P689-L693 VanDerWaalsContact O-CB 3.31Å; P689-L693 WeakPolarHBondContact O-CB 3.39Å; P689-L693 PolarHBondContact O-N 3.08Å | ||
| 690 | D | 73.2 | Confident | 72.2 | Confident | 54 Ų | 54 | 46 Ų | 46 | 29% | 0.289 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -54.5 | -32.9 | -167.9 | -75.6 | -47.4 | 0 | 0 | 0 | 114.3 | R694 K732 K840 | D690-R694 WeakPolarHBondContact O-CB 3.47Å; D690-R694 PolarHBondContact O-N 3.42Å; D690-K732 WeakPolarHBondContact OD1-CD 3.4Å; D690-K732 WeakPolarHBondContact OD1-CE 3.09Å; D690-K732 VanDerWaalsContact OD1-CG 3.28Å; D690-K732 WeakPolarHBondContact OD1-CG 3.45Å; D690-K840 WeakPolarHBondContact OD2-CE 3.29Å; D690-K840 IonicContact OD2-NZ 3.53Å |
| 691 | R | 74.2 | Confident | 73.6 | Confident | 103 Ų | 103 | 44.6 Ų | 44.6 | 39% | 0.389 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -75.9 | -50.7 | -178.5 | 170.6 | 174.8 | 169.4 | -105.2 | 2.9 | 110.8 | F647 Q649 P689 L693 R694 C695 | F647-R691 VanDerWaalsContact O-CZ 3.26Å; F647-R691 PolarHBondContact O-NH1 3.43Å; F647-R691 PolarHBondContact O-NH2 2.93Å; Q649-R691 PolarHBondContact O-NH2 2.87Å; P689-R691 PolarHBondContact O-N 3.1Å; R691-L693 VanDerWaalsContact C-N 3.31Å; R691-R694 PolarHBondContact O-N 3.39Å; R691-C695 PolarHBondContact O-N 2.93Å |
| 692 | E | 76.7 | Confident | 74.4 | Confident | 34 Ų | 34 | 42.5 Ų | 42.5 | 16% | 0.159 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.7 | -41.6 | -179.4 | -66.1 | 64.1 | -144.4 | 0 | 0 | 109.4 | F647 Y688 P689 R694 C695 T696 | F647-E692 HydrophobicContact CB-CG 4.14Å; F647-E692 HydrophobicContact CD1-CB 3.79Å; F647-E692 HydrophobicContact CD1-CG 3.57Å; F647-E692 HydrophobicContact CD2-CG 4.36Å; F647-E692 HydrophobicContact CE1-CB 3.73Å; F647-E692 HydrophobicContact CE1-CG 4.05Å; F647-E692 HydrophobicContact CG-CB 4.37Å; F647-E692 HydrophobicContact CG-CG 3.77Å; F647-E692 HydrophobicContact CZ-CB 4.26Å; Y688-E692 HydrophobicContact CD1-CB 4.04Å; P689-E692 WeakPolarHBondContact CB-OE2 3.48Å; P689-E692 HydrophobicContact CG-CG 4.34Å; P689-E692 VanDerWaalsContact CG-OE2 3.3Å; P689-E692 WeakPolarHBondContact CG-OE2 3.47Å; P689-E692 PolarHBondContact O-N 3.31Å; E692-R694 PolarHBondContact O-N 3.36Å; E692-C695 WeakPolarHBondContact O-CB 3.32Å; E692-C695 PolarHBondContact O-N 3.45Å; E692-T696 PolarHBondContact O-N 3.49Å; E692-T696 PolarHBondContact O-OG1 3.11Å |
| 693 | L | 80.1 | Confident | 75.5 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.8 | -43.4 | 174.1 | -173.5 | 62.5 | 0 | 0 | 0 | 112.1 | L685 P689 R691 T696 A697 K732 F736 | L685-L693 HydrophobicContact CB-CD1 3.91Å; L685-L693 HydrophobicContact CD2-CD1 3.62Å; L685-L693 HydrophobicContact CG-CD1 4.32Å; L685-L693 WeakPolarHBondContact O-CD1 3.22Å; P689-L693 VanDerWaalsContact O-CB 3.31Å; P689-L693 WeakPolarHBondContact O-CB 3.39Å; P689-L693 PolarHBondContact O-N 3.08Å; R691-L693 VanDerWaalsContact C-N 3.31Å; L693-T696 PolarHBondContact O-N 3.43Å; L693-A697 WeakPolarHBondContact O-CB 3.49Å; L693-A697 PolarHBondContact O-N 2.93Å; L693-K732 HydrophobicContact CD2-CB 3.77Å; L693-K732 HydrophobicContact CD2-CD 4.14Å; L693-F736 HydrophobicContact CD1-CB 4.22Å; L693-F736 HydrophobicContact CD1-CD2 3.45Å; L693-F736 VanDerWaalsContact CD1-CD2 3.45Å; L693-F736 HydrophobicContact CD1-CE2 4.18Å; L693-F736 HydrophobicContact CD1-CG 4.13Å; L693-F736 HydrophobicContact CD2-CB 4.36Å; L693-F736 HydrophobicContact CG-CB 4.14Å; L693-F736 HydrophobicContact CG-CD2 3.92Å; L693-F736 HydrophobicContact CG-CG 4.47Å; L693-F736 WeakPolarHBondContact O-CD2 3.45Å |
| 694 | R | 78.4 | Confident | 76.6 | Confident | 161 Ų | 161 | 35.2 Ų | 35.2 | 61% | 0.608 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -65.5 | -39.9 | 175.1 | -110.3 | -176.5 | -88.3 | 170.5 | -12.2 | 112.7 | D690 R691 E692 A697 A698 | D690-R694 WeakPolarHBondContact O-CB 3.47Å; D690-R694 PolarHBondContact O-N 3.42Å; R691-R694 PolarHBondContact O-N 3.39Å; E692-R694 PolarHBondContact O-N 3.36Å; R694-A697 PolarHBondContact O-N 3.47Å; R694-A698 PolarHBondContact O-N 3.44Å |
| 695 | C | 76.2 | Confident | 77.6 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.4 | -48.6 | 173.3 | -76.5 | 0 | 0 | 0 | 0 | 110.9 | L646 F647 M653 R691 E692 A697 A698 V699 | L646-C695 HydrophobicContact CD2-CB 3.85Å; F647-C695 HydrophobicContact CD1-CB 4.43Å; F647-C695 HydrophobicContact CE1-CB 4.11Å; M653-C695 WeakPolarHBondContact CE-SG 3.26Å; R691-C695 PolarHBondContact O-N 2.93Å; E692-C695 WeakPolarHBondContact O-CB 3.32Å; E692-C695 PolarHBondContact O-N 3.45Å; C695-A697 VanDerWaalsContact C-N 3.32Å; C695-A697 PolarHBondContact O-N 3.32Å; C695-A698 WeakPolarHBondContact O-CB 3.48Å; C695-A698 PolarHBondContact O-N 2.87Å; C695-A698 VanDerWaalsContact O-N 3.12Å; C695-V699 WeakPolarHBondContact O-CG2 3.48Å; C695-V699 PolarHBondContact O-N 3.25Å |
| 696 | T | 82.1 | Confident | 78.3 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.6 | -40.7 | 178.4 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | L685 Y688 E692 L693 A698 V699 F700 F736 | L685-T696 HydrophobicContact CD2-CG2 3.91Å; Y688-T696 WeakPolarHBondContact CE1-OG1 3.39Å; E692-T696 PolarHBondContact O-N 3.49Å; E692-T696 PolarHBondContact O-OG1 3.11Å; L693-T696 PolarHBondContact O-N 3.43Å; T696-A698 VanDerWaalsContact C-N 3.31Å; T696-A698 PolarHBondContact O-N 3.29Å; T696-V699 PolarHBondContact O-N 2.94Å; T696-F700 VanDerWaalsContact O-CB 3.25Å; T696-F700 WeakPolarHBondContact O-CB 3.28Å; T696-F700 PolarHBondContact O-N 3.43Å; T696-F736 HydrophobicContact CG2-CE2 4.18Å |
| 697 | A | 84 | Confident | 78.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.6 | -43.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L693 R694 C695 G701 F736 A739 A740 | L693-A697 WeakPolarHBondContact O-CB 3.49Å; L693-A697 PolarHBondContact O-N 2.93Å; R694-A697 PolarHBondContact O-N 3.47Å; C695-A697 VanDerWaalsContact C-N 3.32Å; C695-A697 PolarHBondContact O-N 3.32Å; A697-G701 PolarHBondContact O-N 3.43Å; A697-F736 HydrophobicContact CB-CB 4.47Å; A697-F736 HydrophobicContact CB-CD2 3.41Å; A697-F736 VanDerWaalsContact CB-CD2 3.41Å; A697-F736 HydrophobicContact CB-CE2 3.65Å; A697-F736 HydrophobicContact CB-CG 3.94Å; A697-F736 HydrophobicContact CB-CZ 4.34Å; A697-F736 VanDerWaalsContact N-CE2 3.32Å; A697-A739 HydrophobicContact CB-CB 3.79Å; A697-A740 HydrophobicContact CB-CB 4.5Å |
| 698 | A | 83.5 | Confident | 78.7 | Confident | 17 Ų | 17 | 35.9 Ų | 35.9 | 14% | 0.14 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.8 | -41.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R694 C695 T696 S702 Q743 | R694-A698 PolarHBondContact O-N 3.44Å; C695-A698 WeakPolarHBondContact O-CB 3.48Å; C695-A698 PolarHBondContact O-N 2.87Å; C695-A698 VanDerWaalsContact O-N 3.12Å; T696-A698 VanDerWaalsContact C-N 3.31Å; T696-A698 PolarHBondContact O-N 3.29Å; A698-S702 VanDerWaalsContact O-CB 3.24Å; A698-S702 WeakPolarHBondContact O-CB 3.34Å; A698-S702 PolarHBondContact O-N 2.89Å; A698-S702 PolarHBondContact O-OG 3.24Å; A698-Q743 HydrophobicContact CB-CG 4.4Å |
| 699 | V | 80.1 | Confident | 79 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.8 | -48.2 | 175.9 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | L646 V657 F660 L678 C695 T696 G701 S702 C703 | L646-V699 HydrophobicContact CD2-CG2 3.89Å; V657-V699 HydrophobicContact CG1-CG2 4.21Å; V657-V699 HydrophobicContact CG2-CG2 4.31Å; F660-V699 HydrophobicContact CD1-CG1 3.55Å; F660-V699 HydrophobicContact CE1-CG1 3.41Å; F660-V699 VanDerWaalsContact CE1-CG1 3.41Å; F660-V699 HydrophobicContact CZ-CG1 4.34Å; L678-V699 HydrophobicContact CD1-CG1 4.03Å; L678-V699 HydrophobicContact CD2-CG1 4.02Å; C695-V699 WeakPolarHBondContact O-CG2 3.48Å; C695-V699 PolarHBondContact O-N 3.25Å; T696-V699 PolarHBondContact O-N 2.94Å; V699-G701 PolarHBondContact O-N 2.92Å; V699-S702 PolarHBondContact O-N 2.97Å; V699-C703 PolarHBondContact O-N 3.13Å; V699-C703 PolarHBondContact O-SG 3.48Å |
| 700 | F | 85.3 | Confident | 78.5 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.5 | -48.7 | -179.2 | -165 | -87.3 | 0 | 0 | 0 | 111.3 | L678 F682 T696 S702 C703 I704 F709 A717 L720 V721 F736 | L678-F700 HydrophobicContact CB-CD2 4.31Å; L678-F700 HydrophobicContact CD2-CB 4.02Å; L678-F700 HydrophobicContact CD2-CD2 3.7Å; L678-F700 HydrophobicContact CD2-CG 4.34Å; F682-F700 HydrophobicContact CD2-CD2 4.4Å; F682-F700 AromaticContact CD2-CE2 3.85Å; F682-F700 HydrophobicContact CD2-CE2 3.85Å; F682-F700 AromaticContact CD2-CZ 3.9Å; F682-F700 HydrophobicContact CD2-CZ 3.9Å; F682-F700 HydrophobicContact CE2-CE1 4.15Å; F682-F700 HydrophobicContact CE2-CE2 4.29Å; F682-F700 AromaticContact CE2-CZ 3.98Å; F682-F700 HydrophobicContact CE2-CZ 3.98Å; T696-F700 VanDerWaalsContact O-CB 3.25Å; T696-F700 WeakPolarHBondContact O-CB 3.28Å; T696-F700 PolarHBondContact O-N 3.43Å; F700-S702 PolarHBondContact O-N 3.19Å; F700-C703 WeakPolarHBondContact O-CB 3.32Å; F700-C703 PolarHBondContact O-N 3.1Å; F700-I704 HydrophobicContact CD1-CD1 3.99Å; F700-I704 HydrophobicContact CE1-CD1 3.86Å; F700-I704 PolarHBondContact O-N 3.13Å; F700-I704 VanDerWaalsContact O-N 3.14Å; F700-F709 HydrophobicContact CD2-CZ 4.07Å; F700-F709 AromaticContact CE2-CZ 3.92Å; F700-F709 HydrophobicContact CE2-CZ 3.92Å; F700-F709 HydrophobicContact CZ-CZ 4.3Å; F700-A717 HydrophobicContact CE1-CB 4.02Å; F700-A717 HydrophobicContact CZ-CB 3.87Å; F700-L720 HydrophobicContact CZ-CD1 4.44Å; F700-V721 HydrophobicContact CD1-CG2 4.25Å; F700-V721 HydrophobicContact CE1-CG2 3.93Å; F700-F736 HydrophobicContact CB-CZ 4.32Å; F700-F736 HydrophobicContact CG-CZ 4.44Å |
| 701 | G | 86 | Confident | 78 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.5 | -37.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A697 V699 C703 I704 R705 | A697-G701 PolarHBondContact O-N 3.43Å; V699-G701 PolarHBondContact O-N 2.92Å; G701-C703 VanDerWaalsContact C-N 3.34Å; G701-I704 PolarHBondContact O-N 3.12Å; G701-R705 PolarHBondContact O-N 3.32Å |
| 702 | S | 83.4 | Confident | 77.4 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.3 | -34.5 | 174.4 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | A698 V699 F700 I704 R705 E706 | A698-S702 VanDerWaalsContact O-CB 3.24Å; A698-S702 WeakPolarHBondContact O-CB 3.34Å; A698-S702 PolarHBondContact O-N 2.89Å; A698-S702 PolarHBondContact O-OG 3.24Å; V699-S702 PolarHBondContact O-N 2.97Å; F700-S702 PolarHBondContact O-N 3.19Å; S702-I704 VanDerWaalsContact C-N 3.33Å; S702-I704 PolarHBondContact O-N 2.72Å; S702-R705 WeakPolarHBondContact O-CB 3.45Å; S702-R705 PolarHBondContact O-N 2.92Å; S702-E706 WeakPolarHBondContact O-CG 3.31Å; S702-E706 PolarHBondContact O-N 3.45Å |
| 703 | C | 81.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.9 | -35.9 | 174 | -68.1 | 0 | 0 | 0 | 0 | 112.2 | V699 F700 G701 R707 L708 F709 | V699-C703 PolarHBondContact O-N 3.13Å; V699-C703 PolarHBondContact O-SG 3.48Å; F700-C703 WeakPolarHBondContact O-CB 3.32Å; F700-C703 PolarHBondContact O-N 3.1Å; G701-C703 VanDerWaalsContact C-N 3.34Å; C703-R707 PolarHBondContact O-N 2.92Å; C703-R707 VanDerWaalsContact O-N 3.16Å; C703-L708 HydrophobicContact CB-CB 4.21Å; C703-L708 PolarHBondContact O-N 3Å; C703-F709 HydrophobicContact CB-CD2 4.02Å; C703-F709 HydrophobicContact CB-CE2 3.41Å; C703-F709 VanDerWaalsContact CB-CE2 3.41Å; C703-F709 HydrophobicContact CB-CZ 3.8Å |
| 704 | I | 83.4 | Confident | 76.8 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.6 | -44.8 | 170.8 | -61.8 | 173.2 | 0 | 0 | 0 | 110.3 | F700 G701 S702 E706 R707 F709 A717 L718 V721 F744 | F700-I704 HydrophobicContact CD1-CD1 3.99Å; F700-I704 HydrophobicContact CE1-CD1 3.86Å; F700-I704 PolarHBondContact O-N 3.13Å; F700-I704 VanDerWaalsContact O-N 3.14Å; G701-I704 PolarHBondContact O-N 3.12Å; S702-I704 VanDerWaalsContact C-N 3.33Å; S702-I704 PolarHBondContact O-N 2.72Å; I704-E706 PolarHBondContact O-N 3.39Å; I704-R707 PolarHBondContact O-N 2.91Å; I704-R707 VanDerWaalsContact O-N 3.17Å; I704-F709 HydrophobicContact CG1-CD2 3.96Å; I704-F709 HydrophobicContact CG1-CE2 3.85Å; I704-A717 HydrophobicContact CD1-CB 4.16Å; I704-A717 HydrophobicContact CG1-CB 4.25Å; I704-L718 HydrophobicContact CG2-CD2 4.41Å; I704-V721 HydrophobicContact CD1-CG2 4.06Å; I704-F744 HydrophobicContact CB-CB 4.33Å; I704-F744 HydrophobicContact CB-CD1 4.02Å; I704-F744 HydrophobicContact CB-CE1 4.48Å; I704-F744 HydrophobicContact CB-CG 4.12Å; I704-F744 HydrophobicContact CD1-CD1 4.16Å; I704-F744 HydrophobicContact CD1-CE1 3.77Å; I704-F744 HydrophobicContact CD1-CZ 4.15Å; I704-F744 HydrophobicContact CG2-CB 4.15Å; I704-F744 HydrophobicContact CG2-CD1 4.08Å; I704-F744 HydrophobicContact CG2-CD2 3.87Å; I704-F744 HydrophobicContact CG2-CE1 4.43Å; I704-F744 HydrophobicContact CG2-CE2 4.22Å; I704-F744 HydrophobicContact CG2-CG 3.79Å; I704-F744 HydrophobicContact CG2-CZ 4.48Å |
| 705 | R | 85.3 | Confident | 76.6 | Confident | 77 Ų | 77 | 33.5 Ų | 33.5 | 29% | 0.291 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -57.1 | -47.8 | 178.3 | -175.9 | -178.1 | 60.4 | -139.5 | 5 | 111.8 | G701 S702 R707 Q743 F744 N747 | G701-R705 PolarHBondContact O-N 3.32Å; S702-R705 WeakPolarHBondContact O-CB 3.45Å; S702-R705 PolarHBondContact O-N 2.92Å; R705-R707 PolarHBondContact O-N 3.36Å; R705-Q743 VanDerWaalsContact CD-O 3.28Å; R705-Q743 WeakPolarHBondContact CD-O 3.38Å; R705-Q743 PolarHBondContact NH1-O 3.14Å; R705-F744 HydrophobicContact CB-CB 3.84Å; R705-N747 WeakPolarHBondContact CA-ND2 3.48Å; R705-N747 PolarHBondContact O-ND2 2.7Å |
| 706 | E | 80 | Confident | 76.5 | Confident | 71 Ų | 71 | 36.2 Ų | 36.2 | 33% | 0.332 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 3.9 | -177.2 | -57 | -62.3 | 135.9 | 0 | 0 | 112.9 | K665 S702 I704 L708 | K665-E706 VanDerWaalsContact CE-OE2 3.29Å; K665-E706 WeakPolarHBondContact CE-OE2 3.28Å; K665-E706 IonicContact NZ-OE2 3.2Å; K665-E706 PolarHBondContact NZ-OE2 3.22Å; S702-E706 WeakPolarHBondContact O-CG 3.31Å; S702-E706 PolarHBondContact O-N 3.45Å; I704-E706 PolarHBondContact O-N 3.39Å; E706-L708 VanDerWaalsContact C-N 3.26Å; E706-L708 HydrophobicContact CB-CD1 4.03Å; E706-L708 HydrophobicContact CB-CG 3.91Å; E706-L708 PolarHBondContact O-N 2.85Å |
| 707 | R | 73.9 | Confident | 76.3 | Confident | 111 Ų | 111 | 36 Ų | 36 | 42% | 0.419 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 43.9 | -174.5 | -59.9 | -173.1 | -178.9 | 179.4 | 0 | 113 | K668 C703 I704 R705 I714 | K668-R707 PolarHBondContact NZ-O 3.25Å; C703-R707 PolarHBondContact O-N 2.92Å; C703-R707 VanDerWaalsContact O-N 3.16Å; I704-R707 PolarHBondContact O-N 2.91Å; I704-R707 VanDerWaalsContact O-N 3.17Å; R705-R707 PolarHBondContact O-N 3.36Å; R707-I714 HydrophobicContact CG-CD1 4.27Å |
| 708 | L | 69.9 | Low | 76.3 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | trans | -76.2 | -28.5 | 179 | -70.9 | 170.5 | 0 | 0 | 0 | 112.1 | L661 M664 K665 K668 C703 E706 | L661-L708 HydrophobicContact CD2-CD1 3.62Å; M664-L708 HydrophobicContact CB-CD1 3.76Å; M664-L708 HydrophobicContact CB-CD2 4.42Å; K665-L708 HydrophobicContact CB-CD2 4.36Å; K665-L708 HydrophobicContact CG-CD2 3.67Å; K668-L708 HydrophobicContact CD-CD2 4.23Å; C703-L708 HydrophobicContact CB-CB 4.21Å; C703-L708 PolarHBondContact O-N 3Å; E706-L708 VanDerWaalsContact C-N 3.26Å; E706-L708 HydrophobicContact CB-CD1 4.03Å; E706-L708 HydrophobicContact CB-CG 3.91Å; E706-L708 PolarHBondContact O-N 2.85Å | ||
| 709 | F | 71.3 | Confident | 76 | Confident | 7 Ų | 7 | 44.4 Ų | 44.4 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -65.8 | 138.1 | 164.7 | -59.9 | -65.3 | 0 | 0 | 0 | 109.7 | L678 I679 F700 C703 I704 F713 A717 | L678-F709 HydrophobicContact CB-CE1 4.17Å; L678-F709 HydrophobicContact CB-CZ 4.2Å; I679-F709 HydrophobicContact CD1-CD1 3.88Å; I679-F709 HydrophobicContact CD1-CE1 4.05Å; I679-F709 HydrophobicContact CG1-CD1 4.12Å; I679-F709 HydrophobicContact CG1-CE1 3.76Å; F700-F709 HydrophobicContact CD2-CZ 4.07Å; F700-F709 AromaticContact CE2-CZ 3.92Å; F700-F709 HydrophobicContact CE2-CZ 3.92Å; F700-F709 HydrophobicContact CZ-CZ 4.3Å; C703-F709 HydrophobicContact CB-CD2 4.02Å; C703-F709 HydrophobicContact CB-CE2 3.41Å; C703-F709 VanDerWaalsContact CB-CE2 3.41Å; C703-F709 HydrophobicContact CB-CZ 3.8Å; I704-F709 HydrophobicContact CG1-CD2 3.96Å; I704-F709 HydrophobicContact CG1-CE2 3.85Å; F709-F713 HydrophobicContact CB-CB 4.36Å; F709-A717 HydrophobicContact CD2-CB 4.11Å; F709-A717 HydrophobicContact CE2-CB 4.24Å |
| 710 | R | 60.1 | Low | 76.1 | Confident | 93 Ų | 93 | 45.3 Ų | 45.3 | 35% | 0.351 | 21% | 0.208 | S | C | . | . | trans | -58.7 | 153.6 | 171.3 | -60.8 | -177.2 | -166.8 | 172.5 | 3.6 | 110 | E712 F713 I714 | R710-E712 HydrophobicContact CB-CG 3.83Å; R710-E712 VanDerWaalsContact CD-OE1 3.29Å; R710-E712 WeakPolarHBondContact CD-OE1 3.34Å; R710-E712 IonicContact NH1-OE1 3.42Å; R710-E712 PolarHBondContact NH1-OE1 2.86Å; R710-E712 PolarHBondContact O-N 3.07Å; R710-E712 VanDerWaalsContact O-N 3.07Å; R710-F713 HydrophobicContact CB-CD2 3.97Å; R710-F713 HydrophobicContact CG-CD2 4.44Å; R710-F713 PolarHBondContact O-N 3.23Å; R710-I714 PolarHBondContact O-N 3.45Å; R710-I714 VanDerWaalsContact O-N 3.12Å | ||
| 711 | D | 63.2 | Low | 76.2 | Confident | 129 Ų | 129 | 45.2 Ų | 45.2 | 69% | 0.69 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -56.4 | -30 | -177 | -65.9 | -38.2 | 0 | 0 | 0 | 112.7 | I714 | D711-I714 WeakPolarHBondContact O-CG2 3.42Å |
| 712 | E | 61.2 | Low | 76 | Confident | 101 Ų | 101 | 45.9 Ų | 45.9 | 47% | 0.472 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.4 | -34.3 | 172.7 | 50.1 | -179 | 171.3 | 0 | 0 | 113.6 | R710 | R710-E712 HydrophobicContact CB-CG 3.83Å; R710-E712 VanDerWaalsContact CD-OE1 3.29Å; R710-E712 WeakPolarHBondContact CD-OE1 3.34Å; R710-E712 IonicContact NH1-OE1 3.42Å; R710-E712 PolarHBondContact NH1-OE1 2.86Å; R710-E712 PolarHBondContact O-N 3.07Å; R710-E712 VanDerWaalsContact O-N 3.07Å |
| 713 | F | 69.4 | Low | 76 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 11% | 0.11 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -93.2 | -14.7 | -176.8 | -64.5 | -62.5 | 0 | 0 | 0 | 113.9 | L628 I679 F709 R710 G715 I716 A717 | L628-F713 HydrophobicContact CD2-CE1 3.62Å; L628-F713 HydrophobicContact CD2-CZ 3.61Å; I679-F713 HydrophobicContact CD1-CB 3.74Å; I679-F713 HydrophobicContact CD1-CD1 4.23Å; I679-F713 HydrophobicContact CD1-CG 4.11Å; F709-F713 HydrophobicContact CB-CB 4.36Å; R710-F713 HydrophobicContact CB-CD2 3.97Å; R710-F713 HydrophobicContact CG-CD2 4.44Å; R710-F713 PolarHBondContact O-N 3.23Å; F713-G715 PolarHBondContact O-N 3.18Å; F713-I716 HydrophobicContact CD1-CD1 3.81Å; F713-I716 HydrophobicContact CE1-CD1 4.34Å; F713-I716 WeakPolarHBondContact O-CB 3.15Å; F713-I716 PolarHBondContact O-N 3.16Å; F713-I716 VanDerWaalsContact O-N 3.08Å; F713-A717 PolarHBondContact O-N 2.9Å |
| 714 | I | 75.8 | Confident | 76.2 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 11% | 0.113 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.5 | -33.1 | -178.4 | -152.8 | 153.5 | 0 | 0 | 0 | 111.8 | R707 R710 D711 A717 L718 | R707-I714 HydrophobicContact CG-CD1 4.27Å; R710-I714 PolarHBondContact O-N 3.45Å; R710-I714 VanDerWaalsContact O-N 3.12Å; D711-I714 WeakPolarHBondContact O-CG2 3.42Å; I714-A717 PolarHBondContact O-N 3.42Å; I714-L718 WeakPolarHBondContact O-CB 3.1Å; I714-L718 VanDerWaalsContact O-CG 3.29Å; I714-L718 WeakPolarHBondContact O-CG 3.47Å; I714-L718 PolarHBondContact O-N 2.98Å |
| 715 | G | 73.7 | Confident | 76.4 | Confident | 37 Ų | 37 | 48.9 Ų | 48.9 | 38% | 0.381 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.5 | -39.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F713 R719 | F713-G715 PolarHBondContact O-N 3.18Å; G715-R719 PolarHBondContact O-N 2.89Å |
| 716 | I | 73 | Confident | 76.3 | Confident | 59 Ų | 59 | 51.7 Ų | 51.7 | 30% | 0.303 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.3 | -47.9 | 175.2 | -66.8 | 163 | 0 | 0 | 0 | 109.6 | I679 F713 L718 R719 L720 | I679-I716 HydrophobicContact CG2-CG2 4.15Å; F713-I716 HydrophobicContact CD1-CD1 3.81Å; F713-I716 HydrophobicContact CE1-CD1 4.34Å; F713-I716 WeakPolarHBondContact O-CB 3.15Å; F713-I716 PolarHBondContact O-N 3.16Å; F713-I716 VanDerWaalsContact O-N 3.08Å; I716-L718 VanDerWaalsContact C-N 3.3Å; I716-L718 PolarHBondContact O-N 3.04Å; I716-R719 PolarHBondContact O-N 3.37Å; I716-R719 VanDerWaalsContact O-N 3.13Å; I716-L720 HydrophobicContact CG2-CD1 3.98Å; I716-L720 HydrophobicContact CG2-CG 4.28Å; I716-L720 WeakPolarHBondContact O-CB 3.21Å; I716-L720 VanDerWaalsContact O-CG 3.29Å; I716-L720 WeakPolarHBondContact O-CG 3.37Å; I716-L720 PolarHBondContact O-N 3.31Å |
| 717 | A | 78 | Confident | 76.6 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.4 | -40.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F700 I704 F709 F713 I714 L720 V721 | F700-A717 HydrophobicContact CE1-CB 4.02Å; F700-A717 HydrophobicContact CZ-CB 3.87Å; I704-A717 HydrophobicContact CD1-CB 4.16Å; I704-A717 HydrophobicContact CG1-CB 4.25Å; F709-A717 HydrophobicContact CD2-CB 4.11Å; F709-A717 HydrophobicContact CE2-CB 4.24Å; F713-A717 PolarHBondContact O-N 2.9Å; I714-A717 PolarHBondContact O-N 3.42Å; A717-L720 PolarHBondContact O-N 2.94Å; A717-V721 WeakPolarHBondContact O-CG2 3.48Å; A717-V721 PolarHBondContact O-N 3.12Å |
| 718 | L | 84.2 | Confident | 76.7 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 7% | 0.068 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 174.5 | -71.3 | 170 | 0 | 0 | 0 | 112.2 | I704 I714 I716 L720 V721 M722 F744 H751 F754 | I704-L718 HydrophobicContact CG2-CD2 4.41Å; I714-L718 WeakPolarHBondContact O-CB 3.1Å; I714-L718 VanDerWaalsContact O-CG 3.29Å; I714-L718 WeakPolarHBondContact O-CG 3.47Å; I714-L718 PolarHBondContact O-N 2.98Å; I716-L718 VanDerWaalsContact C-N 3.3Å; I716-L718 PolarHBondContact O-N 3.04Å; L718-L720 VanDerWaalsContact C-N 3.31Å; L718-L720 PolarHBondContact O-N 2.88Å; L718-V721 PolarHBondContact O-N 3.25Å; L718-M722 PolarHBondContact O-N 3.47Å; L718-F744 HydrophobicContact CD2-CE2 3.88Å; L718-F744 HydrophobicContact CD2-CZ 4.09Å; L718-H751 HydrophobicContact CD1-CB 4.36Å; L718-F754 HydrophobicContact CB-CD2 4.05Å; L718-F754 HydrophobicContact CB-CE2 4.03Å; L718-F754 HydrophobicContact CD2-CD1 3.99Å; L718-F754 HydrophobicContact CD2-CD2 4.4Å; L718-F754 HydrophobicContact CD2-CE1 3.8Å; L718-F754 HydrophobicContact CD2-CE2 4.24Å; L718-F754 HydrophobicContact CD2-CG 4.28Å; L718-F754 HydrophobicContact CD2-CZ 3.94Å; L718-F754 WeakPolarHBondContact O-CE2 3.26Å |
| 719 | R | 78 | Confident | 77.1 | Confident | 180 Ų | 180 | 59.9 Ų | 59.9 | 68% | 0.679 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59 | -44.2 | 174.6 | -81.8 | -178.5 | -167.9 | 164.2 | 4.4 | 111.7 | G715 I716 V721 M722 D723 | G715-R719 PolarHBondContact O-N 2.89Å; I716-R719 PolarHBondContact O-N 3.37Å; I716-R719 VanDerWaalsContact O-N 3.13Å; R719-V721 VanDerWaalsContact C-N 3.34Å; R719-V721 PolarHBondContact O-N 3.06Å; R719-M722 WeakPolarHBondContact O-CA 3.29Å; R719-M722 VanDerWaalsContact O-CB 3.26Å; R719-M722 WeakPolarHBondContact O-CB 3.45Å; R719-M722 PolarHBondContact O-N 3.09Å; R719-D723 PolarHBondContact O-N 3.19Å |
| 720 | L | 81.8 | Confident | 77.3 | Confident | 18 Ų | 18 | 64.9 Ų | 64.9 | 9% | 0.094 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.1 | -46 | 175.9 | -71.9 | 176.1 | 0 | 0 | 0 | 111 | I679 F682 F700 I716 A717 L718 M722 D723 V724 | I679-L720 HydrophobicContact CG2-CD1 3.95Å; F682-L720 HydrophobicContact CB-CD1 4.17Å; F682-L720 HydrophobicContact CD1-CB 4.11Å; F682-L720 HydrophobicContact CD1-CD1 4.25Å; F682-L720 HydrophobicContact CD1-CD2 3.68Å; F682-L720 HydrophobicContact CD1-CG 4.22Å; F682-L720 HydrophobicContact CD2-CB 4.12Å; F682-L720 HydrophobicContact CD2-CD1 4.07Å; F682-L720 HydrophobicContact CE1-CB 3.71Å; F682-L720 HydrophobicContact CE1-CD2 3.86Å; F682-L720 HydrophobicContact CE1-CG 4.27Å; F682-L720 HydrophobicContact CE2-CB 3.73Å; F682-L720 HydrophobicContact CG-CB 4.28Å; F682-L720 HydrophobicContact CG-CD1 3.91Å; F682-L720 HydrophobicContact CG-CD2 4.19Å; F682-L720 HydrophobicContact CG-CG 4.36Å; F682-L720 HydrophobicContact CZ-CB 3.49Å; F682-L720 VanDerWaalsContact CZ-CB 3.49Å; F682-L720 HydrophobicContact CZ-CG 4.46Å; F682-L720 WeakPolarHBondContact CZ-O 3.25Å; F700-L720 HydrophobicContact CZ-CD1 4.44Å; I716-L720 HydrophobicContact CG2-CD1 3.98Å; I716-L720 HydrophobicContact CG2-CG 4.28Å; I716-L720 WeakPolarHBondContact O-CB 3.21Å; I716-L720 VanDerWaalsContact O-CG 3.29Å; I716-L720 WeakPolarHBondContact O-CG 3.37Å; I716-L720 PolarHBondContact O-N 3.31Å; A717-L720 PolarHBondContact O-N 2.94Å; L718-L720 VanDerWaalsContact C-N 3.31Å; L718-L720 PolarHBondContact O-N 2.88Å; L720-M722 VanDerWaalsContact C-N 3.31Å; L720-M722 PolarHBondContact O-N 3.44Å; L720-D723 PolarHBondContact O-N 3.16Å; L720-V724 WeakPolarHBondContact O-CG2 3.46Å; L720-V724 PolarHBondContact O-N 3.48Å |
| 721 | V | 86.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.4 | -39.6 | 173.5 | 175.7 | 0 | 0 | 0 | 0 | 111.9 | F700 I704 A717 L718 R719 L725 A740 L741 F744 F754 | F700-V721 HydrophobicContact CD1-CG2 4.25Å; F700-V721 HydrophobicContact CE1-CG2 3.93Å; I704-V721 HydrophobicContact CD1-CG2 4.06Å; A717-V721 WeakPolarHBondContact O-CG2 3.48Å; A717-V721 PolarHBondContact O-N 3.12Å; L718-V721 PolarHBondContact O-N 3.25Å; R719-V721 VanDerWaalsContact C-N 3.34Å; R719-V721 PolarHBondContact O-N 3.06Å; V721-L725 HydrophobicContact CG1-CD1 4.08Å; V721-L725 WeakPolarHBondContact O-CG 3.44Å; V721-L725 PolarHBondContact O-N 2.83Å; V721-L725 VanDerWaalsContact O-N 3.14Å; V721-A740 HydrophobicContact CG2-CB 4.4Å; V721-L741 HydrophobicContact CG1-CD1 4.01Å; V721-F744 HydrophobicContact CG1-CZ 4.3Å; V721-F744 HydrophobicContact CG2-CE1 4.46Å; V721-F754 HydrophobicContact CB-CZ 4.25Å; V721-F754 HydrophobicContact CG1-CZ 4.03Å |
| 722 | M | 83.2 | Confident | 79.3 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 6% | 0.064 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 175.4 | -169.9 | 68.6 | 71.3 | 0 | 0 | 111.8 | L718 R719 L720 V724 L725 R726 F754 A757 I758 I762 | L718-M722 PolarHBondContact O-N 3.47Å; R719-M722 WeakPolarHBondContact O-CA 3.29Å; R719-M722 VanDerWaalsContact O-CB 3.26Å; R719-M722 WeakPolarHBondContact O-CB 3.45Å; R719-M722 PolarHBondContact O-N 3.09Å; L720-M722 VanDerWaalsContact C-N 3.31Å; L720-M722 PolarHBondContact O-N 3.44Å; M722-V724 VanDerWaalsContact C-N 3.3Å; M722-V724 PolarHBondContact O-N 3.44Å; M722-L725 PolarHBondContact O-N 2.87Å; M722-L725 VanDerWaalsContact O-N 3.15Å; M722-R726 WeakPolarHBondContact O-CG 3.45Å; M722-R726 PolarHBondContact O-N 3.47Å; M722-F754 HydrophobicContact CB-CE2 4.07Å; M722-F754 HydrophobicContact CE-CD2 3.47Å; M722-F754 VanDerWaalsContact CE-CD2 3.47Å; M722-F754 HydrophobicContact CE-CE2 3.57Å; M722-F754 HydrophobicContact CE-CG 4.31Å; M722-F754 HydrophobicContact CE-CZ 4.48Å; M722-A757 HydrophobicContact CE-CB 3.45Å; M722-A757 VanDerWaalsContact CE-CB 3.45Å; M722-A757 HydrophobicContact SD-CB 4.49Å; M722-I758 HydrophobicContact CE-CG1 3.75Å; M722-I758 HydrophobicContact SD-CG1 3.98Å; M722-I762 HydrophobicContact SD-CD1 3.71Å; M722-I762 HydrophobicContact SD-CG1 3.92Å |
| 723 | D | 82 | Confident | 80.6 | Confident | 63 Ų | 63 | 53.4 Ų | 53.4 | 34% | 0.337 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.1 | -33.1 | -176.4 | -68.9 | -25.8 | 0 | 0 | 0 | 112.4 | R719 L720 R726 | R719-D723 PolarHBondContact O-N 3.19Å; L720-D723 PolarHBondContact O-N 3.16Å; D723-R726 IonicContact OD1-NH1 3.45Å |
| 724 | V | 87.4 | Confident | 81.5 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73.3 | -36.8 | 172.8 | -123.4 | 0 | 0 | 0 | 0 | 112.2 | F682 L720 M722 R726 R727 L733 F734 F736 | F682-V724 HydrophobicContact CE1-CG2 3.84Å; F682-V724 HydrophobicContact CE2-CG2 4.35Å; F682-V724 HydrophobicContact CZ-CG2 3.28Å; L720-V724 WeakPolarHBondContact O-CG2 3.46Å; L720-V724 PolarHBondContact O-N 3.48Å; M722-V724 VanDerWaalsContact C-N 3.3Å; M722-V724 PolarHBondContact O-N 3.44Å; V724-R726 PolarHBondContact O-N 3.37Å; V724-R727 WeakPolarHBondContact O-CB 3.09Å; V724-R727 WeakPolarHBondContact O-CG 3.45Å; V724-R727 PolarHBondContact O-N 2.98Å; V724-L733 WeakPolarHBondContact CB-O 3.44Å; V724-L733 VanDerWaalsContact CG1-C 3.49Å; V724-L733 HydrophobicContact CG1-CB 3.53Å; V724-L733 HydrophobicContact CG1-CD1 3.94Å; V724-L733 HydrophobicContact CG1-CD2 3.61Å; V724-L733 HydrophobicContact CG1-CG 3.85Å; V724-L733 WeakPolarHBondContact CG1-O 3.42Å; V724-F734 WeakPolarHBondContact O-CA 3.42Å; V724-F736 HydrophobicContact CB-CD1 4.4Å; V724-F736 HydrophobicContact CG1-CD1 4.14Å; V724-F736 HydrophobicContact CG2-CD1 4.01Å; V724-F736 HydrophobicContact CG2-CE1 4.29Å |
| 725 | L | 87.2 | Confident | 82 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.7 | -23.2 | 175.6 | -74 | 175.1 | 0 | 0 | 0 | 113 | V721 M722 R727 F734 V738 L741 I758 I762 F768 | V721-L725 HydrophobicContact CG1-CD1 4.08Å; V721-L725 WeakPolarHBondContact O-CG 3.44Å; V721-L725 PolarHBondContact O-N 2.83Å; V721-L725 VanDerWaalsContact O-N 3.14Å; M722-L725 PolarHBondContact O-N 2.87Å; M722-L725 VanDerWaalsContact O-N 3.15Å; L725-R727 VanDerWaalsContact C-N 3.25Å; L725-R727 PolarHBondContact O-N 3.41Å; L725-F734 HydrophobicContact CD2-CD2 4.39Å; L725-F734 HydrophobicContact CD2-CE2 4.26Å; L725-F734 VanDerWaalsContact O-CD2 3.28Å; L725-F734 WeakPolarHBondContact O-CD2 3.28Å; L725-F734 WeakPolarHBondContact O-CE2 3.34Å; L725-V738 HydrophobicContact CD2-CG2 3.87Å; L725-L741 HydrophobicContact CD1-CD1 4.15Å; L725-I758 HydrophobicContact CD1-CD1 4.07Å; L725-I758 HydrophobicContact CD1-CG1 4.27Å; L725-I762 HydrophobicContact CB-CD1 3.79Å; L725-I762 HydrophobicContact CB-CG1 4.18Å; L725-I762 HydrophobicContact CB-CG2 4.22Å; L725-I762 WeakPolarHBondContact O-CG2 3.37Å; L725-F768 HydrophobicContact CD1-CZ 4.31Å; L725-F768 HydrophobicContact CD2-CE1 4.1Å; L725-F768 HydrophobicContact CD2-CZ 3.75Å |
| 726 | R | 83.2 | Confident | 82.8 | Confident | 137 Ų | 137 | 53 Ų | 53 | 52% | 0.517 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -12.2 | 175 | -75.3 | 174.8 | 176.2 | 179.4 | -5.7 | 113.7 | M722 D723 V724 I762 | M722-R726 WeakPolarHBondContact O-CG 3.45Å; M722-R726 PolarHBondContact O-N 3.47Å; D723-R726 IonicContact OD1-NH1 3.45Å; V724-R726 PolarHBondContact O-N 3.37Å; R726-I762 HydrophobicContact CB-CD1 4.29Å; R726-I762 HydrophobicContact CG-CD1 3.43Å; R726-I762 VanDerWaalsContact CG-CD1 3.43Å |
| 727 | R | 85.4 | Confident | 83.6 | Confident | 137 Ų | 137 | 50.2 Ų | 50.2 | 52% | 0.517 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -70.2 | 168.2 | 176.3 | -57.2 | -63 | -179.2 | 166 | -1.1 | 110.6 | V724 L725 V729 L733 | V724-R727 WeakPolarHBondContact O-CB 3.09Å; V724-R727 WeakPolarHBondContact O-CG 3.45Å; V724-R727 PolarHBondContact O-N 2.98Å; L725-R727 VanDerWaalsContact C-N 3.25Å; L725-R727 PolarHBondContact O-N 3.41Å; R727-V729 PolarHBondContact O-N 3.17Å; R727-L733 HydrophobicContact CB-CB 4.29Å; R727-L733 HydrophobicContact CG-CB 4.06Å; R727-L733 HydrophobicContact CG-CD1 3.93Å |
| 728 | E | 77 | Confident | 84.2 | Confident | 158 Ų | 158 | 51.6 Ų | 51.6 | 74% | 0.738 | 24% | 0.24 | S | C | * | . | P | Polyproline II helix | trans | -53.3 | 137.1 | -179.2 | -65.9 | -175.3 | 164.5 | 0 | 0 | 111.6 | D730 S731 F734 | E728-D730 PolarHBondContact O-N 3.05Å; E728-S731 WeakPolarHBondContact O-CB 3.08Å; E728-S731 PolarHBondContact O-N 2.87Å; E728-S731 PolarHBondContact O-OG 3.08Å; E728-F734 WeakPolarHBondContact O-CB 3.33Å |
| 729 | V | 77.6 | Confident | 84.5 | Confident | 63 Ų | 63 | 52.3 Ų | 52.3 | 38% | 0.382 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 135.5 | 178.1 | -171.1 | 0 | 0 | 0 | 0 | 109 | R727 S731 F734 | R727-V729 PolarHBondContact O-N 3.17Å; V729-S731 PolarHBondContact O-N 3.12Å; V729-F734 HydrophobicContact CG1-CE1 3.99Å; V729-F734 HydrophobicContact CG1-CZ 4.17Å |
| 730 | D | 75.6 | Confident | 85 | Confident | 111 Ų | 111 | 43.7 Ų | 43.7 | 59% | 0.594 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 5.1 | -173.6 | -58.1 | -39.7 | 0 | 0 | 0 | 116.8 | E728 F734 N735 | E728-D730 PolarHBondContact O-N 3.05Å; D730-F734 VanDerWaalsContact N-CD1 3.34Å; D730-N735 PolarHBondContact O-ND2 2.94Å |
| 731 | S | 83.9 | Confident | 85.5 | Confident | 28 Ų | 28 | 42.9 Ų | 42.9 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | trans | -63.7 | 155.2 | 168.3 | 68.5 | 0 | 0 | 0 | 0 | 111.4 | E728 V729 L733 F734 N735 | E728-S731 WeakPolarHBondContact O-CB 3.08Å; E728-S731 PolarHBondContact O-N 2.87Å; E728-S731 PolarHBondContact O-OG 3.08Å; V729-S731 PolarHBondContact O-N 3.12Å; S731-L733 PolarHBondContact O-N 3.17Å; S731-L733 VanDerWaalsContact O-N 3.17Å; S731-F734 PolarHBondContact O-N 3.02Å; S731-F734 VanDerWaalsContact O-N 3.12Å; S731-F734 VanDerWaalsContact OG-CB 3.23Å; S731-F734 WeakPolarHBondContact OG-CB 3.46Å; S731-F734 PolarHBondContact OG-N 3.39Å; S731-F734 VanDerWaalsContact OG-N 3.09Å; S731-N735 WeakPolarHBondContact O-CB 3.38Å; S731-N735 PolarHBondContact O-N 3.45Å; S731-N735 PolarHBondContact O-ND2 2.84Å; S731-N735 VanDerWaalsContact O-ND2 3.17Å | ||
| 732 | K | 82.5 | Confident | 85.7 | Confident | 36 Ų | 36 | 45.5 Ų | 45.5 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -50.2 | -43 | 176.4 | -77.5 | -153.5 | -169.2 | 156.7 | 0 | 112.5 | Y688 D690 L693 N735 F736 P841 | Y688-K732 PolarHBondContact O-NZ 3.06Å; D690-K732 WeakPolarHBondContact OD1-CD 3.4Å; D690-K732 WeakPolarHBondContact OD1-CE 3.09Å; D690-K732 VanDerWaalsContact OD1-CG 3.28Å; D690-K732 WeakPolarHBondContact OD1-CG 3.45Å; L693-K732 HydrophobicContact CD2-CB 3.77Å; L693-K732 HydrophobicContact CD2-CD 4.14Å; K732-N735 PolarHBondContact O-N 3.24Å; K732-F736 PolarHBondContact O-N 3.42Å; K732-P841 HydrophobicContact CB-CG 4.2Å; K732-P841 HydrophobicContact CD-CG 3.31Å; K732-P841 HydrophobicContact CG-CG 3.72Å; K732-P841 VanDerWaalsContact NZ-CD 3.25Å |
| 733 | L | 86.6 | Confident | 86 | Confident | 19 Ų | 19 | 47.8 Ų | 47.8 | 10% | 0.099 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.4 | -46.1 | 179.1 | -90 | -153.7 | 0 | 0 | 0 | 112 | L685 N686 V724 R727 S731 N735 F736 G737 | L685-L733 HydrophobicContact CB-CD2 3.98Å; N686-L733 WeakPolarHBondContact OD1-CD1 3.36Å; N686-L733 WeakPolarHBondContact OD1-CD2 3.22Å; N686-L733 WeakPolarHBondContact OD1-CG 3.49Å; V724-L733 WeakPolarHBondContact CB-O 3.44Å; V724-L733 VanDerWaalsContact CG1-C 3.49Å; V724-L733 HydrophobicContact CG1-CB 3.53Å; V724-L733 HydrophobicContact CG1-CD1 3.94Å; V724-L733 HydrophobicContact CG1-CD2 3.61Å; V724-L733 HydrophobicContact CG1-CG 3.85Å; V724-L733 WeakPolarHBondContact CG1-O 3.42Å; R727-L733 HydrophobicContact CB-CB 4.29Å; R727-L733 HydrophobicContact CG-CB 4.06Å; R727-L733 HydrophobicContact CG-CD1 3.93Å; S731-L733 PolarHBondContact O-N 3.17Å; S731-L733 VanDerWaalsContact O-N 3.17Å; L733-N735 VanDerWaalsContact C-N 3.29Å; L733-N735 PolarHBondContact O-N 3.17Å; L733-F736 WeakPolarHBondContact O-CB 3.38Å; L733-F736 PolarHBondContact O-N 2.91Å; L733-F736 VanDerWaalsContact O-N 3.16Å; L733-G737 PolarHBondContact O-N 3.27Å |
| 734 | F | 88.5 | Confident | 86.4 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.9 | -44.7 | 172.8 | -179.7 | -94.3 | 0 | 0 | 0 | 111.4 | V724 L725 E728 V729 D730 S731 F736 G737 V738 I762 S767 F768 | V724-F734 WeakPolarHBondContact O-CA 3.42Å; L725-F734 HydrophobicContact CD2-CD2 4.39Å; L725-F734 HydrophobicContact CD2-CE2 4.26Å; L725-F734 VanDerWaalsContact O-CD2 3.28Å; L725-F734 WeakPolarHBondContact O-CD2 3.28Å; L725-F734 WeakPolarHBondContact O-CE2 3.34Å; E728-F734 WeakPolarHBondContact O-CB 3.33Å; V729-F734 HydrophobicContact CG1-CE1 3.99Å; V729-F734 HydrophobicContact CG1-CZ 4.17Å; D730-F734 VanDerWaalsContact N-CD1 3.34Å; S731-F734 PolarHBondContact O-N 3.02Å; S731-F734 VanDerWaalsContact O-N 3.12Å; S731-F734 VanDerWaalsContact OG-CB 3.23Å; S731-F734 WeakPolarHBondContact OG-CB 3.46Å; S731-F734 PolarHBondContact OG-N 3.39Å; S731-F734 VanDerWaalsContact OG-N 3.09Å; F734-F736 VanDerWaalsContact C-N 3.33Å; F734-F736 PolarHBondContact O-N 3.49Å; F734-G737 WeakPolarHBondContact O-CA 3.38Å; F734-G737 PolarHBondContact O-N 3.38Å; F734-G737 VanDerWaalsContact O-N 3.09Å; F734-V738 HydrophobicContact CD1-CG2 4.06Å; F734-V738 HydrophobicContact CE1-CG2 3.7Å; F734-V738 HydrophobicContact CZ-CG2 4.04Å; F734-V738 WeakPolarHBondContact O-CG2 3.31Å; F734-V738 PolarHBondContact O-N 3.25Å; F734-I762 HydrophobicContact CE2-CG2 4.15Å; F734-S767 WeakPolarHBondContact CE1-OG 3.46Å; F734-S767 WeakPolarHBondContact CZ-OG 3.21Å; F734-F768 HydrophobicContact CE1-CE1 4.4Å; F734-F768 HydrophobicContact CE2-CE1 4.2Å; F734-F768 HydrophobicContact CZ-CD1 4.21Å; F734-F768 AromaticContact CZ-CE1 3.64Å; F734-F768 HydrophobicContact CZ-CE1 3.64Å |
| 735 | N | 87 | Confident | 86.6 | Confident | 72 Ų | 72 | 47 Ų | 47 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.9 | -34.6 | 176.3 | -72.4 | -39.4 | 0 | 0 | 0 | 113.1 | D730 S731 K732 L733 A739 | D730-N735 PolarHBondContact O-ND2 2.94Å; S731-N735 WeakPolarHBondContact O-CB 3.38Å; S731-N735 PolarHBondContact O-N 3.45Å; S731-N735 PolarHBondContact O-ND2 2.84Å; S731-N735 VanDerWaalsContact O-ND2 3.17Å; K732-N735 PolarHBondContact O-N 3.24Å; L733-N735 VanDerWaalsContact C-N 3.29Å; L733-N735 PolarHBondContact O-N 3.17Å; N735-A739 VanDerWaalsContact O-CB 3.22Å; N735-A739 WeakPolarHBondContact O-CB 3.27Å; N735-A739 PolarHBondContact O-N 3.34Å |
| 736 | F | 91.5 | Very high | 86.3 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.5 | -48.6 | 169.4 | 172 | -80.6 | 0 | 0 | 0 | 110.5 | F682 L685 L693 T696 A697 F700 V724 K732 L733 F734 V738 A739 A740 | F682-F736 HydrophobicContact CD2-CE1 4.49Å; F682-F736 HydrophobicContact CD2-CZ 4.47Å; F682-F736 AromaticContact CE2-CE1 3.58Å; F682-F736 HydrophobicContact CE2-CE1 3.58Å; F682-F736 AromaticContact CE2-CZ 3.95Å; F682-F736 HydrophobicContact CE2-CZ 3.95Å; F682-F736 AromaticContact CZ-CE1 3.97Å; F682-F736 HydrophobicContact CZ-CE1 3.97Å; L685-F736 HydrophobicContact CD1-CD1 4.13Å; L685-F736 HydrophobicContact CD1-CD2 4.3Å; L685-F736 HydrophobicContact CD1-CE1 3.68Å; L685-F736 HydrophobicContact CD1-CE2 3.86Å; L685-F736 HydrophobicContact CD1-CG 4.45Å; L685-F736 HydrophobicContact CD1-CZ 3.53Å; L685-F736 HydrophobicContact CD2-CD2 3.95Å; L685-F736 HydrophobicContact CD2-CE2 3.42Å; L685-F736 VanDerWaalsContact CD2-CE2 3.42Å; L685-F736 HydrophobicContact CD2-CZ 3.88Å; L685-F736 HydrophobicContact CG-CE2 4.29Å; L685-F736 HydrophobicContact CG-CZ 4.39Å; L693-F736 HydrophobicContact CD1-CB 4.22Å; L693-F736 HydrophobicContact CD1-CD2 3.45Å; L693-F736 VanDerWaalsContact CD1-CD2 3.45Å; L693-F736 HydrophobicContact CD1-CE2 4.18Å; L693-F736 HydrophobicContact CD1-CG 4.13Å; L693-F736 HydrophobicContact CD2-CB 4.36Å; L693-F736 HydrophobicContact CG-CB 4.14Å; L693-F736 HydrophobicContact CG-CD2 3.92Å; L693-F736 HydrophobicContact CG-CG 4.47Å; L693-F736 WeakPolarHBondContact O-CD2 3.45Å; T696-F736 HydrophobicContact CG2-CE2 4.18Å; A697-F736 HydrophobicContact CB-CB 4.47Å; A697-F736 HydrophobicContact CB-CD2 3.41Å; A697-F736 VanDerWaalsContact CB-CD2 3.41Å; A697-F736 HydrophobicContact CB-CE2 3.65Å; A697-F736 HydrophobicContact CB-CG 3.94Å; A697-F736 HydrophobicContact CB-CZ 4.34Å; A697-F736 VanDerWaalsContact N-CE2 3.32Å; F700-F736 HydrophobicContact CB-CZ 4.32Å; F700-F736 HydrophobicContact CG-CZ 4.44Å; V724-F736 HydrophobicContact CB-CD1 4.4Å; V724-F736 HydrophobicContact CG1-CD1 4.14Å; V724-F736 HydrophobicContact CG2-CD1 4.01Å; V724-F736 HydrophobicContact CG2-CE1 4.29Å; K732-F736 PolarHBondContact O-N 3.42Å; L733-F736 WeakPolarHBondContact O-CB 3.38Å; L733-F736 PolarHBondContact O-N 2.91Å; L733-F736 VanDerWaalsContact O-N 3.16Å; F734-F736 VanDerWaalsContact C-N 3.33Å; F734-F736 PolarHBondContact O-N 3.49Å; F736-V738 PolarHBondContact O-N 3.13Å; F736-A739 PolarHBondContact O-N 3.09Å; F736-A740 WeakPolarHBondContact O-CB 3.35Å; F736-A740 PolarHBondContact O-N 3.18Å |
| 737 | G | 89.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.4 | -45.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L733 F734 A740 L741 | L733-G737 PolarHBondContact O-N 3.27Å; F734-G737 WeakPolarHBondContact O-CA 3.38Å; F734-G737 PolarHBondContact O-N 3.38Å; F734-G737 VanDerWaalsContact O-N 3.09Å; G737-A740 PolarHBondContact O-N 2.44Å; G737-L741 WeakPolarHBondContact O-CB 3.31Å; G737-L741 PolarHBondContact O-N 3.46Å |
| 738 | V | 90.4 | Very high | 86.5 | Confident | 29 Ų | 29 | 37.5 Ų | 37.5 | 18% | 0.176 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 176.3 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | L725 F734 F736 A740 L741 E742 F768 L772 | L725-V738 HydrophobicContact CD2-CG2 3.87Å; F734-V738 HydrophobicContact CD1-CG2 4.06Å; F734-V738 HydrophobicContact CE1-CG2 3.7Å; F734-V738 HydrophobicContact CZ-CG2 4.04Å; F734-V738 WeakPolarHBondContact O-CG2 3.31Å; F734-V738 PolarHBondContact O-N 3.25Å; F736-V738 PolarHBondContact O-N 3.13Å; V738-A740 VanDerWaalsContact C-N 3.32Å; V738-A740 PolarHBondContact O-N 2.99Å; V738-L741 PolarHBondContact O-N 2.95Å; V738-E742 PolarHBondContact O-N 3.01Å; V738-F768 HydrophobicContact CG2-CD1 3.95Å; V738-F768 HydrophobicContact CG2-CE1 3.52Å; V738-F768 HydrophobicContact CG2-CZ 4.2Å; V738-L772 HydrophobicContact CG1-CD2 4.12Å |
| 739 | A | 88.6 | Confident | 86.8 | Confident | 27 Ų | 27 | 33.2 Ų | 33.2 | 22% | 0.223 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.5 | -37.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A697 N735 F736 Q743 | A697-A739 HydrophobicContact CB-CB 3.79Å; N735-A739 VanDerWaalsContact O-CB 3.22Å; N735-A739 WeakPolarHBondContact O-CB 3.27Å; N735-A739 PolarHBondContact O-N 3.34Å; F736-A739 PolarHBondContact O-N 3.09Å; A739-Q743 WeakPolarHBondContact O-CG 3.42Å |
| 740 | A | 90.3 | Very high | 87 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.1 | -47.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | A697 V721 F736 G737 V738 E742 Q743 F744 | A697-A740 HydrophobicContact CB-CB 4.5Å; V721-A740 HydrophobicContact CG2-CB 4.4Å; F736-A740 WeakPolarHBondContact O-CB 3.35Å; F736-A740 PolarHBondContact O-N 3.18Å; G737-A740 PolarHBondContact O-N 2.44Å; V738-A740 VanDerWaalsContact C-N 3.32Å; V738-A740 PolarHBondContact O-N 2.99Å; A740-E742 VanDerWaalsContact C-N 3.27Å; A740-E742 PolarHBondContact O-N 2.92Å; A740-Q743 WeakPolarHBondContact O-CB 3.47Å; A740-Q743 PolarHBondContact O-N 3.46Å; A740-Q743 VanDerWaalsContact O-N 3.07Å; A740-F744 HydrophobicContact CB-CE1 4.49Å; A740-F744 WeakPolarHBondContact O-CD1 3.29Å; A740-F744 VanDerWaalsContact O-CE1 3.23Å; A740-F744 WeakPolarHBondContact O-CE1 3.33Å |
| 741 | L | 91.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.4 | -41 | 178.1 | -147.3 | 85.9 | 0 | 0 | 0 | 111.9 | V721 L725 G737 V738 Q743 F744 K745 L748 F754 I758 F768 L772 V776 | V721-L741 HydrophobicContact CG1-CD1 4.01Å; L725-L741 HydrophobicContact CD1-CD1 4.15Å; G737-L741 WeakPolarHBondContact O-CB 3.31Å; G737-L741 PolarHBondContact O-N 3.46Å; V738-L741 PolarHBondContact O-N 2.95Å; L741-Q743 PolarHBondContact O-N 3.48Å; L741-F744 HydrophobicContact CD1-CE1 4.44Å; L741-F744 HydrophobicContact CD1-CE2 4.13Å; L741-F744 HydrophobicContact CD1-CZ 3.7Å; L741-F744 HydrophobicContact CG-CZ 4.38Å; L741-F744 CarbonylContact O-C 3.5Å; L741-F744 PolarHBondContact O-N 3.02Å; L741-K745 PolarHBondContact O-N 3.16Å; L741-L748 HydrophobicContact CD1-CD2 4.24Å; L741-L748 HydrophobicContact CD2-CD1 4.4Å; L741-L748 HydrophobicContact CG-CD1 4.41Å; L741-L748 HydrophobicContact CG-CD2 4.39Å; L741-F754 HydrophobicContact CD1-CE1 3.75Å; L741-F754 HydrophobicContact CD1-CZ 4.06Å; L741-I758 HydrophobicContact CD1-CD1 3.7Å; L741-I758 HydrophobicContact CD2-CD1 4.1Å; L741-F768 HydrophobicContact CD2-CD2 4.37Å; L741-F768 HydrophobicContact CD2-CE2 3.67Å; L741-F768 HydrophobicContact CD2-CZ 4.4Å; L741-L772 HydrophobicContact CB-CD2 4.4Å; L741-L772 HydrophobicContact CD2-CD1 3.98Å; L741-L772 HydrophobicContact CD2-CD2 3.95Å; L741-L772 HydrophobicContact CD2-CG 4.06Å; L741-L772 HydrophobicContact CG-CD1 4.39Å; L741-V776 HydrophobicContact CD2-CG2 3.74Å |
| 742 | E | 90.6 | Very high | 87.3 | Confident | 56 Ų | 56 | 32 Ų | 32 | 26% | 0.262 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.8 | -31.4 | 179.3 | -162.8 | 68.2 | -149.7 | 0 | 0 | 112.4 | V738 A740 K745 L772 | V738-E742 PolarHBondContact O-N 3.01Å; A740-E742 VanDerWaalsContact C-N 3.27Å; A740-E742 PolarHBondContact O-N 2.92Å; E742-K745 WeakPolarHBondContact O-CG 3.24Å; E742-K745 IonicContact OE1-NZ 3.88Å; E742-K745 PolarHBondContact OE1-NZ 3.36Å; E742-L772 WeakPolarHBondContact OE2-CD2 3.36Å |
| 743 | Q | 89.6 | Confident | 87.2 | Confident | 61 Ų | 61 | 40.5 Ų | 40.5 | 29% | 0.285 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -74 | -30.4 | 179.5 | -63.3 | -56.9 | -32.9 | 0 | 0 | 113.6 | A698 R705 A739 A740 L741 | A698-Q743 HydrophobicContact CB-CG 4.4Å; R705-Q743 VanDerWaalsContact CD-O 3.28Å; R705-Q743 WeakPolarHBondContact CD-O 3.38Å; R705-Q743 PolarHBondContact NH1-O 3.14Å; A739-Q743 WeakPolarHBondContact O-CG 3.42Å; A740-Q743 WeakPolarHBondContact O-CB 3.47Å; A740-Q743 PolarHBondContact O-N 3.46Å; A740-Q743 VanDerWaalsContact O-N 3.07Å; L741-Q743 PolarHBondContact O-N 3.48Å |
| 744 | F | 91.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -115.3 | 19.1 | -179.8 | 68.4 | -91 | 0 | 0 | 0 | 113.7 | I704 R705 L718 V721 A740 L741 S746 N747 L748 F754 | I704-F744 HydrophobicContact CB-CB 4.33Å; I704-F744 HydrophobicContact CB-CD1 4.02Å; I704-F744 HydrophobicContact CB-CE1 4.48Å; I704-F744 HydrophobicContact CB-CG 4.12Å; I704-F744 HydrophobicContact CD1-CD1 4.16Å; I704-F744 HydrophobicContact CD1-CE1 3.77Å; I704-F744 HydrophobicContact CD1-CZ 4.15Å; I704-F744 HydrophobicContact CG2-CB 4.15Å; I704-F744 HydrophobicContact CG2-CD1 4.08Å; I704-F744 HydrophobicContact CG2-CD2 3.87Å; I704-F744 HydrophobicContact CG2-CE1 4.43Å; I704-F744 HydrophobicContact CG2-CE2 4.22Å; I704-F744 HydrophobicContact CG2-CG 3.79Å; I704-F744 HydrophobicContact CG2-CZ 4.48Å; R705-F744 HydrophobicContact CB-CB 3.84Å; L718-F744 HydrophobicContact CD2-CE2 3.88Å; L718-F744 HydrophobicContact CD2-CZ 4.09Å; V721-F744 HydrophobicContact CG1-CZ 4.3Å; V721-F744 HydrophobicContact CG2-CE1 4.46Å; A740-F744 HydrophobicContact CB-CE1 4.49Å; A740-F744 WeakPolarHBondContact O-CD1 3.29Å; A740-F744 VanDerWaalsContact O-CE1 3.23Å; A740-F744 WeakPolarHBondContact O-CE1 3.33Å; L741-F744 HydrophobicContact CD1-CE1 4.44Å; L741-F744 HydrophobicContact CD1-CE2 4.13Å; L741-F744 HydrophobicContact CD1-CZ 3.7Å; L741-F744 HydrophobicContact CG-CZ 4.38Å; L741-F744 CarbonylContact O-C 3.5Å; L741-F744 PolarHBondContact O-N 3.02Å; F744-S746 PolarHBondContact O-N 3.12Å; F744-S746 VanDerWaalsContact O-N 3.12Å; F744-N747 HydrophobicContact CB-CB 4.49Å; F744-N747 WeakPolarHBondContact O-CA 3.32Å; F744-N747 WeakPolarHBondContact O-CB 3.46Å; F744-N747 PolarHBondContact O-N 3.04Å; F744-L748 HydrophobicContact CD2-CD2 4.17Å; F744-L748 HydrophobicContact CE2-CD2 3.77Å; F744-L748 PolarHBondContact O-N 3.38Å; F744-F754 HydrophobicContact CE2-CE1 4.13Å; F744-F754 HydrophobicContact CZ-CE1 4.25Å |
| 745 | K | 89.9 | Confident | 87.3 | Confident | 48 Ų | 48 | 40.5 Ų | 40.5 | 21% | 0.209 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -53.5 | -34.1 | 179.6 | 65.4 | -174.6 | 171.3 | -177.7 | 0 | 114.2 | L741 E742 N747 L748 L772 Y775 | L741-K745 PolarHBondContact O-N 3.16Å; E742-K745 WeakPolarHBondContact O-CG 3.24Å; E742-K745 IonicContact OE1-NZ 3.88Å; E742-K745 PolarHBondContact OE1-NZ 3.36Å; K745-N747 PolarHBondContact O-N 3.39Å; K745-L748 HydrophobicContact CB-CD1 4.16Å; K745-L748 WeakPolarHBondContact O-CB 3.45Å; K745-L748 PolarHBondContact O-N 3.41Å; K745-L772 HydrophobicContact CB-CD1 3.81Å; K745-L772 HydrophobicContact CD-CD1 4.4Å; K745-Y775 HydrophobicContact CB-CD1 4.37Å; K745-Y775 HydrophobicContact CB-CG 4.17Å; K745-Y775 HydrophobicContact CD-CD2 4.25Å; K745-Y775 HydrophobicContact CD-CE2 4.46Å; K745-Y775 HydrophobicContact CG-CD1 4.49Å; K745-Y775 HydrophobicContact CG-CG 4.41Å; K745-Y775 VanDerWaalsContact O-CD1 3.28Å; K745-Y775 WeakPolarHBondContact O-CD1 3.49Å |
| 746 | S | 82.5 | Confident | 87.2 | Confident | 46 Ų | 46 | 42.3 Ų | 42.3 | 32% | 0.322 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -64.7 | -21.9 | 174.7 | 55.5 | 0 | 0 | 0 | 0 | 114 | F744 | F744-S746 PolarHBondContact O-N 3.12Å; F744-S746 VanDerWaalsContact O-N 3.12Å |
| 747 | N | 85.6 | Confident | 86.8 | Confident | 29 Ų | 29 | 43.4 Ų | 43.4 | 16% | 0.155 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -96.6 | -6.2 | -178.7 | -66.6 | 29.1 | 0 | 0 | 0 | 112.1 | R705 F744 K745 K749 M750 | R705-N747 WeakPolarHBondContact CA-ND2 3.48Å; R705-N747 PolarHBondContact O-ND2 2.7Å; F744-N747 HydrophobicContact CB-CB 4.49Å; F744-N747 WeakPolarHBondContact O-CA 3.32Å; F744-N747 WeakPolarHBondContact O-CB 3.46Å; F744-N747 PolarHBondContact O-N 3.04Å; K745-N747 PolarHBondContact O-N 3.39Å; N747-K749 PolarHBondContact O-N 3.12Å; N747-M750 VanDerWaalsContact O-CB 3.28Å; N747-M750 WeakPolarHBondContact O-CB 3.48Å; N747-M750 PolarHBondContact O-N 3.35Å |
| 748 | L | 86.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -58.6 | -31.3 | -178.5 | -75.7 | 172.8 | 0 | 0 | 0 | 113 | L741 F744 K745 M750 H751 F754 C755 V776 | L741-L748 HydrophobicContact CD1-CD2 4.24Å; L741-L748 HydrophobicContact CD2-CD1 4.4Å; L741-L748 HydrophobicContact CG-CD1 4.41Å; L741-L748 HydrophobicContact CG-CD2 4.39Å; F744-L748 HydrophobicContact CD2-CD2 4.17Å; F744-L748 HydrophobicContact CE2-CD2 3.77Å; F744-L748 PolarHBondContact O-N 3.38Å; K745-L748 HydrophobicContact CB-CD1 4.16Å; K745-L748 WeakPolarHBondContact O-CB 3.45Å; K745-L748 PolarHBondContact O-N 3.41Å; L748-M750 PolarHBondContact O-N 3.14Å; L748-M750 VanDerWaalsContact O-N 3.12Å; L748-H751 CarbonylContact O-C 3.59Å; L748-H751 PolarHBondContact O-N 2.98Å; L748-F754 HydrophobicContact CD2-CD1 4.09Å; L748-F754 HydrophobicContact CD2-CE1 4.04Å; L748-C755 PolarHBondContact O-SG 2.58Å; L748-C755 VanDerWaalsContact O-SG 3.33Å; L748-V776 HydrophobicContact CD1-CG2 3.7Å |
| 749 | K | 83.9 | Confident | 86.5 | Confident | 68 Ų | 68 | 45.2 Ų | 45.2 | 30% | 0.296 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -57.3 | -22.5 | 171.5 | 67.4 | 176.7 | 170.4 | -145.4 | 0 | 114.8 | N747 H751 D784 | N747-K749 PolarHBondContact O-N 3.12Å; K749-H751 VanDerWaalsContact C-N 3.28Å; K749-D784 WeakPolarHBondContact CD-OD1 3.22Å; K749-D784 IonicContact NZ-OD1 3.82Å; K749-D784 PolarHBondContact NZ-OD1 3.36Å; K749-D784 IonicContact NZ-OD2 3.59Å; K749-D784 PolarHBondContact NZ-OD2 3.43Å |
| 750 | M | 81.6 | Confident | 86.2 | Confident | 99 Ų | 99 | 47.8 Ų | 47.8 | 49% | 0.488 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -82.2 | -10 | 177.1 | -53.6 | -56.5 | -64.9 | 0 | 0 | 112.2 | N747 L748 P752 | N747-M750 VanDerWaalsContact O-CB 3.28Å; N747-M750 WeakPolarHBondContact O-CB 3.48Å; N747-M750 PolarHBondContact O-N 3.35Å; L748-M750 PolarHBondContact O-N 3.14Å; L748-M750 VanDerWaalsContact O-N 3.12Å; M750-P752 VanDerWaalsContact C-CD 3.48Å |
| 751 | H | 85.2 | Confident | 85.8 | Confident | 41 Ų | 41 | 53.3 Ų | 53.3 | 19% | 0.19 | 26% | 0.263 | C | S | . | . | trans | -131.2 | 62.8 | -175.4 | -54.5 | -67.6 | 0 | 0 | 0 | 111.2 | L718 L748 K749 R753 F754 C755 | L718-H751 HydrophobicContact CD1-CB 4.36Å; L748-H751 CarbonylContact O-C 3.59Å; L748-H751 PolarHBondContact O-N 2.98Å; K749-H751 VanDerWaalsContact C-N 3.28Å; H751-R753 PolarHBondContact O-N 2.85Å; H751-F754 HydrophobicContact CB-CB 3.87Å; H751-F754 HydrophobicContact CB-CD1 4.49Å; H751-F754 WeakPolarHBondContact O-CB 3.45Å; H751-F754 PolarHBondContact O-N 2.91Å; H751-F754 VanDerWaalsContact O-N 3.14Å; H751-C755 PolarHBondContact O-N 2.9Å; H751-C755 VanDerWaalsContact O-N 3.07Å; H751-C755 PolarHBondContact O-SG 3.32Å | ||
| 752 | P | 80 | Confident | 85.6 | Confident | 38 Ų | 38 | 53.7 Ų | 53.7 | 25% | 0.247 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.9 | -43.3 | -174.7 | 23.2 | -34 | 0 | 0 | 0 | 113.1 | M750 F754 C755 E756 G779 S782 | M750-P752 VanDerWaalsContact C-CD 3.48Å; P752-F754 VanDerWaalsContact C-N 3.26Å; P752-F754 PolarHBondContact O-N 3.04Å; P752-C755 CarbonylContact O-C 3.59Å; P752-C755 WeakPolarHBondContact O-CB 3.22Å; P752-C755 PolarHBondContact O-N 3.49Å; P752-C755 VanDerWaalsContact O-N 3.09Å; P752-E756 PolarHBondContact O-N 3.16Å; P752-G779 VanDerWaalsContact CA-O 3.32Å; P752-G779 WeakPolarHBondContact CA-O 3.46Å; P752-G779 WeakPolarHBondContact CB-O 3.23Å; P752-S782 WeakPolarHBondContact CB-OG 3.41Å; P752-S782 WeakPolarHBondContact CG-OG 3.35Å |
| 753 | R | 80.1 | Confident | 85 | Confident | 213 Ų | 213 | 56 Ų | 56 | 80% | 0.804 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -60.4 | -35.6 | 176.9 | -68.1 | -173.9 | 178.5 | 175 | -0 | 113 | H751 A757 | H751-R753 PolarHBondContact O-N 2.85Å; R753-A757 VanDerWaalsContact O-CB 3.29Å; R753-A757 WeakPolarHBondContact O-CB 3.37Å; R753-A757 PolarHBondContact O-N 3.08Å |
| 754 | F | 89.6 | Confident | 84.5 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 10% | 0.096 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.6 | -42.3 | 176 | 175.7 | -106.1 | 0 | 0 | 0 | 110.6 | L718 V721 M722 L741 F744 L748 H751 P752 A757 I758 | L718-F754 HydrophobicContact CB-CD2 4.05Å; L718-F754 HydrophobicContact CB-CE2 4.03Å; L718-F754 HydrophobicContact CD2-CD1 3.99Å; L718-F754 HydrophobicContact CD2-CD2 4.4Å; L718-F754 HydrophobicContact CD2-CE1 3.8Å; L718-F754 HydrophobicContact CD2-CE2 4.24Å; L718-F754 HydrophobicContact CD2-CG 4.28Å; L718-F754 HydrophobicContact CD2-CZ 3.94Å; L718-F754 WeakPolarHBondContact O-CE2 3.26Å; V721-F754 HydrophobicContact CB-CZ 4.25Å; V721-F754 HydrophobicContact CG1-CZ 4.03Å; M722-F754 HydrophobicContact CB-CE2 4.07Å; M722-F754 HydrophobicContact CE-CD2 3.47Å; M722-F754 VanDerWaalsContact CE-CD2 3.47Å; M722-F754 HydrophobicContact CE-CE2 3.57Å; M722-F754 HydrophobicContact CE-CG 4.31Å; M722-F754 HydrophobicContact CE-CZ 4.48Å; L741-F754 HydrophobicContact CD1-CE1 3.75Å; L741-F754 HydrophobicContact CD1-CZ 4.06Å; F744-F754 HydrophobicContact CE2-CE1 4.13Å; F744-F754 HydrophobicContact CZ-CE1 4.25Å; L748-F754 HydrophobicContact CD2-CD1 4.09Å; L748-F754 HydrophobicContact CD2-CE1 4.04Å; H751-F754 HydrophobicContact CB-CB 3.87Å; H751-F754 HydrophobicContact CB-CD1 4.49Å; H751-F754 WeakPolarHBondContact O-CB 3.45Å; H751-F754 PolarHBondContact O-N 2.91Å; H751-F754 VanDerWaalsContact O-N 3.14Å; P752-F754 VanDerWaalsContact C-N 3.26Å; P752-F754 PolarHBondContact O-N 3.04Å; F754-A757 PolarHBondContact O-N 3.44Å; F754-I758 HydrophobicContact CD1-CD1 3.96Å; F754-I758 HydrophobicContact CE1-CD1 3.51Å; F754-I758 HydrophobicContact CE1-CG1 4.5Å; F754-I758 HydrophobicContact CE2-CD1 4.44Å; F754-I758 HydrophobicContact CZ-CD1 3.78Å; F754-I758 HydrophobicContact CZ-CG1 4.48Å; F754-I758 WeakPolarHBondContact O-CG1 3.47Å; F754-I758 PolarHBondContact O-N 3.44Å |
| 755 | C | 88.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 174.7 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | L748 H751 P752 A757 I758 I759 V776 A780 | L748-C755 PolarHBondContact O-SG 2.58Å; L748-C755 VanDerWaalsContact O-SG 3.33Å; H751-C755 PolarHBondContact O-N 2.9Å; H751-C755 VanDerWaalsContact O-N 3.07Å; H751-C755 PolarHBondContact O-SG 3.32Å; P752-C755 CarbonylContact O-C 3.59Å; P752-C755 WeakPolarHBondContact O-CB 3.22Å; P752-C755 PolarHBondContact O-N 3.49Å; P752-C755 VanDerWaalsContact O-N 3.09Å; C755-A757 VanDerWaalsContact C-N 3.32Å; C755-A757 PolarHBondContact O-N 3.2Å; C755-I758 WeakPolarHBondContact O-CB 3.29Å; C755-I758 PolarHBondContact O-N 3.49Å; C755-I759 VanDerWaalsContact O-CG1 3.3Å; C755-I759 WeakPolarHBondContact O-CG1 3.31Å; C755-I759 PolarHBondContact O-N 3.08Å; C755-V776 HydrophobicContact CB-CG1 4.12Å; C755-V776 WeakPolarHBondContact CB-O 3.47Å; C755-A780 HydrophobicContact CB-CB 3.84Å; C755-A780 VanDerWaalsContact CB-N 3.35Å |
| 756 | E | 85.1 | Confident | 83.8 | Confident | 109 Ų | 109 | 57.9 Ų | 57.9 | 51% | 0.509 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 173.2 | -75.6 | -179.4 | 162 | 0 | 0 | 111.4 | P752 I758 I759 S760 A780 | P752-E756 PolarHBondContact O-N 3.16Å; E756-I758 VanDerWaalsContact C-N 3.33Å; E756-I758 PolarHBondContact O-N 2.94Å; E756-I759 PolarHBondContact O-N 3.46Å; E756-S760 WeakPolarHBondContact O-CB 3.35Å; E756-S760 PolarHBondContact O-N 2.91Å; E756-S760 PolarHBondContact O-OG 2.73Å; E756-A780 HydrophobicContact CG-CB 3.89Å |
| 757 | A | 82.9 | Confident | 83.8 | Confident | 25 Ų | 25 | 58.5 Ų | 58.5 | 21% | 0.207 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63 | -37.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | M722 R753 F754 C755 S760 H761 | M722-A757 HydrophobicContact CE-CB 3.45Å; M722-A757 VanDerWaalsContact CE-CB 3.45Å; M722-A757 HydrophobicContact SD-CB 4.49Å; R753-A757 VanDerWaalsContact O-CB 3.29Å; R753-A757 WeakPolarHBondContact O-CB 3.37Å; R753-A757 PolarHBondContact O-N 3.08Å; F754-A757 PolarHBondContact O-N 3.44Å; C755-A757 VanDerWaalsContact C-N 3.32Å; C755-A757 PolarHBondContact O-N 3.2Å; A757-S760 WeakPolarHBondContact CA-OG 3.4Å; A757-S760 PolarHBondContact O-OG 3.1Å; A757-H761 VanDerWaalsContact O-CB 3.3Å; A757-H761 WeakPolarHBondContact O-CB 3.43Å; A757-H761 PolarHBondContact O-N 3.49Å; A757-H761 PolarHBondContact O-ND1 3.49Å |
| 758 | I | 87.7 | Confident | 84 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.7 | -48.4 | 172.7 | -69.3 | 172 | 0 | 0 | 0 | 110.7 | M722 L725 L741 F754 C755 E756 S760 I762 F765 F768 V776 | M722-I758 HydrophobicContact CE-CG1 3.75Å; M722-I758 HydrophobicContact SD-CG1 3.98Å; L725-I758 HydrophobicContact CD1-CD1 4.07Å; L725-I758 HydrophobicContact CD1-CG1 4.27Å; L741-I758 HydrophobicContact CD1-CD1 3.7Å; L741-I758 HydrophobicContact CD2-CD1 4.1Å; F754-I758 HydrophobicContact CD1-CD1 3.96Å; F754-I758 HydrophobicContact CE1-CD1 3.51Å; F754-I758 HydrophobicContact CE1-CG1 4.5Å; F754-I758 HydrophobicContact CE2-CD1 4.44Å; F754-I758 HydrophobicContact CZ-CD1 3.78Å; F754-I758 HydrophobicContact CZ-CG1 4.48Å; F754-I758 WeakPolarHBondContact O-CG1 3.47Å; F754-I758 PolarHBondContact O-N 3.44Å; C755-I758 WeakPolarHBondContact O-CB 3.29Å; C755-I758 PolarHBondContact O-N 3.49Å; E756-I758 VanDerWaalsContact C-N 3.33Å; E756-I758 PolarHBondContact O-N 2.94Å; I758-S760 VanDerWaalsContact C-N 3.33Å; I758-S760 PolarHBondContact O-N 2.9Å; I758-I762 HydrophobicContact CB-CG1 4.36Å; I758-I762 HydrophobicContact CG1-CG1 4.42Å; I758-I762 HydrophobicContact CG2-CB 4.42Å; I758-I762 HydrophobicContact CG2-CG1 4.26Å; I758-I762 VanDerWaalsContact O-CB 3.26Å; I758-I762 WeakPolarHBondContact O-CB 3.34Å; I758-I762 PolarHBondContact O-N 2.96Å; I758-F765 HydrophobicContact CG2-CD2 3.75Å; I758-F765 HydrophobicContact CG2-CE2 4.31Å; I758-F768 HydrophobicContact CG2-CE2 3.97Å; I758-F768 HydrophobicContact CG2-CZ 4.33Å; I758-V776 HydrophobicContact CB-CG1 4.17Å; I758-V776 HydrophobicContact CG2-CG1 3.98Å |
| 759 | I | 87.1 | Confident | 83.8 | Confident | 68 Ų | 68 | 60 Ų | 60 | 35% | 0.349 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | -177.4 | -64.6 | 163.6 | 0 | 0 | 0 | 111.6 | C755 E756 F765 V776 Q777 A780 | C755-I759 VanDerWaalsContact O-CG1 3.3Å; C755-I759 WeakPolarHBondContact O-CG1 3.31Å; C755-I759 PolarHBondContact O-N 3.08Å; E756-I759 PolarHBondContact O-N 3.46Å; I759-F765 HydrophobicContact CG1-CE1 4.17Å; I759-F765 HydrophobicContact CG1-CE2 4.26Å; I759-F765 HydrophobicContact CG1-CZ 3.94Å; I759-F765 HydrophobicContact CG2-CE1 4.49Å; I759-V776 HydrophobicContact CD1-CG1 4.16Å; I759-V776 HydrophobicContact CG1-CG1 3.81Å; I759-Q777 HydrophobicContact CD1-CG 4.28Å; I759-A780 HydrophobicContact CD1-CB 3.66Å |
| 760 | S | 81.9 | Confident | 83.7 | Confident | 80 Ų | 80 | 62.9 Ų | 62.9 | 56% | 0.559 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -88.5 | -33.2 | -173.5 | 49.8 | 0 | 0 | 0 | 0 | 114.4 | E756 A757 I758 | E756-S760 WeakPolarHBondContact O-CB 3.35Å; E756-S760 PolarHBondContact O-N 2.91Å; E756-S760 PolarHBondContact O-OG 2.73Å; A757-S760 WeakPolarHBondContact CA-OG 3.4Å; A757-S760 PolarHBondContact O-OG 3.1Å; I758-S760 VanDerWaalsContact C-N 3.33Å; I758-S760 PolarHBondContact O-N 2.9Å |
| 761 | H | 81.9 | Confident | 83.9 | Confident | 117 Ų | 117 | 62.2 Ų | 62.2 | 54% | 0.542 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -115.2 | -7.9 | -169.2 | -59.5 | 82.4 | 0 | 0 | 0 | 114.8 | A757 P763 | A757-H761 VanDerWaalsContact O-CB 3.3Å; A757-H761 WeakPolarHBondContact O-CB 3.43Å; A757-H761 PolarHBondContact O-N 3.49Å; A757-H761 PolarHBondContact O-ND1 3.49Å; H761-P763 WeakPolarHBondContact O-CD 3.34Å |
| 762 | I | 86.9 | Confident | 84.1 | Confident | 7 Ų | 7 | 60.3 Ų | 60.3 | 4% | 0.036 | 32% | 0.319 | C | S | . | . | trans | -100.6 | 107.9 | -178.9 | -57.9 | -58.6 | 0 | 0 | 0 | 110.3 | M722 L725 R726 F734 I758 G764 F765 | M722-I762 HydrophobicContact SD-CD1 3.71Å; M722-I762 HydrophobicContact SD-CG1 3.92Å; L725-I762 HydrophobicContact CB-CD1 3.79Å; L725-I762 HydrophobicContact CB-CG1 4.18Å; L725-I762 HydrophobicContact CB-CG2 4.22Å; L725-I762 WeakPolarHBondContact O-CG2 3.37Å; R726-I762 HydrophobicContact CB-CD1 4.29Å; R726-I762 HydrophobicContact CG-CD1 3.43Å; R726-I762 VanDerWaalsContact CG-CD1 3.43Å; F734-I762 HydrophobicContact CE2-CG2 4.15Å; I758-I762 HydrophobicContact CB-CG1 4.36Å; I758-I762 HydrophobicContact CG1-CG1 4.42Å; I758-I762 HydrophobicContact CG2-CB 4.42Å; I758-I762 HydrophobicContact CG2-CG1 4.26Å; I758-I762 VanDerWaalsContact O-CB 3.26Å; I758-I762 WeakPolarHBondContact O-CB 3.34Å; I758-I762 PolarHBondContact O-N 2.96Å; I762-G764 PolarHBondContact O-N 2.78Å; I762-F765 WeakPolarHBondContact O-CB 3.34Å; I762-F765 PolarHBondContact O-N 2.65Å; I762-F765 VanDerWaalsContact O-N 3.09Å | ||
| 763 | P | 77.3 | Confident | 84.5 | Confident | 105 Ų | 105 | 59.9 Ų | 59.9 | 68% | 0.682 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -59.1 | -33 | -179.2 | -21.1 | 31.7 | 0 | 0 | 0 | 112.6 | H761 F765 | H761-P763 WeakPolarHBondContact O-CD 3.34Å; P763-F765 VanDerWaalsContact C-N 3.28Å; P763-F765 PolarHBondContact O-N 2.86Å |
| 764 | G | 80.3 | Confident | 84.9 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -78 | 1.3 | -180 | 0 | 0 | 0 | 0 | 0 | 115.6 | I762 N766 S767 | I762-G764 PolarHBondContact O-N 2.78Å; G764-N766 PolarHBondContact O-N 2.95Å; G764-N766 VanDerWaalsContact O-N 3.1Å; G764-S767 WeakPolarHBondContact O-CB 3.29Å; G764-S767 PolarHBondContact O-N 3.33Å; G764-S767 PolarHBondContact O-OG 2.98Å |
| 765 | F | 84.9 | Confident | 85.1 | Confident | 14 Ų | 14 | 56.3 Ų | 56.3 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -55.4 | -33.2 | -177.9 | 178.1 | -113.3 | 0 | 0 | 0 | 113 | I758 I759 I762 P763 S767 F768 K773 V776 Q777 | I758-F765 HydrophobicContact CG2-CD2 3.75Å; I758-F765 HydrophobicContact CG2-CE2 4.31Å; I759-F765 HydrophobicContact CG1-CE1 4.17Å; I759-F765 HydrophobicContact CG1-CE2 4.26Å; I759-F765 HydrophobicContact CG1-CZ 3.94Å; I759-F765 HydrophobicContact CG2-CE1 4.49Å; I762-F765 WeakPolarHBondContact O-CB 3.34Å; I762-F765 PolarHBondContact O-N 2.65Å; I762-F765 VanDerWaalsContact O-N 3.09Å; P763-F765 VanDerWaalsContact C-N 3.28Å; P763-F765 PolarHBondContact O-N 2.86Å; F765-S767 PolarHBondContact O-N 3.05Å; F765-F768 AromaticContact CD2-CD2 3.82Å; F765-F768 HydrophobicContact CD2-CD2 3.82Å; F765-F768 AromaticContact CD2-CE2 3.96Å; F765-F768 HydrophobicContact CD2-CE2 3.96Å; F765-F768 HydrophobicContact CD2-CG 4.42Å; F765-F768 HydrophobicContact CE2-CD2 4.11Å; F765-F768 HydrophobicContact CE2-CE2 4.47Å; F765-F768 WeakPolarHBondContact O-CB 3.09Å; F765-F768 PolarHBondContact O-N 3.3Å; F765-K773 HydrophobicContact CE2-CG 4.26Å; F765-K773 HydrophobicContact CZ-CB 4.18Å; F765-K773 HydrophobicContact CZ-CG 4.14Å; F765-K773 VanDerWaalsContact O-CE 3.32Å; F765-K773 WeakPolarHBondContact O-CE 3.48Å; F765-V776 HydrophobicContact CD2-CG1 4.48Å; F765-V776 HydrophobicContact CE2-CB 3.85Å; F765-V776 HydrophobicContact CE2-CG1 3.68Å; F765-V776 HydrophobicContact CE2-CG2 4.34Å; F765-V776 HydrophobicContact CZ-CB 4.42Å; F765-V776 HydrophobicContact CZ-CG1 4.27Å; F765-Q777 HydrophobicContact CZ-CG 4.05Å |
| 766 | N | 81 | Confident | 85.1 | Confident | 132 Ų | 132 | 56.3 Ų | 56.3 | 71% | 0.706 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -67.2 | -20 | 176.6 | -70.4 | -31.2 | 0 | 0 | 0 | 114.3 | G764 K773 | G764-N766 PolarHBondContact O-N 2.95Å; G764-N766 VanDerWaalsContact O-N 3.1Å; N766-K773 WeakPolarHBondContact O-CE 3.5Å; N766-K773 PolarHBondContact O-NZ 2.9Å |
| 767 | S | 82.2 | Confident | 85.4 | Confident | 58 Ų | 58 | 55 Ų | 55 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -83.4 | -10.7 | 177.8 | 71.4 | 0 | 0 | 0 | 0 | 113.7 | F734 G764 F765 | F734-S767 WeakPolarHBondContact CE1-OG 3.46Å; F734-S767 WeakPolarHBondContact CZ-OG 3.21Å; G764-S767 WeakPolarHBondContact O-CB 3.29Å; G764-S767 PolarHBondContact O-N 3.33Å; G764-S767 PolarHBondContact O-OG 2.98Å; F765-S767 PolarHBondContact O-N 3.05Å |
| 768 | F | 89 | Confident | 85.5 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -63.6 | 153.5 | -179.4 | -73.4 | 14.3 | 0 | 0 | 0 | 111 | L725 F734 V738 L741 I758 F765 L772 K773 | L725-F768 HydrophobicContact CD1-CZ 4.31Å; L725-F768 HydrophobicContact CD2-CE1 4.1Å; L725-F768 HydrophobicContact CD2-CZ 3.75Å; F734-F768 HydrophobicContact CE1-CE1 4.4Å; F734-F768 HydrophobicContact CE2-CE1 4.2Å; F734-F768 HydrophobicContact CZ-CD1 4.21Å; F734-F768 AromaticContact CZ-CE1 3.64Å; F734-F768 HydrophobicContact CZ-CE1 3.64Å; V738-F768 HydrophobicContact CG2-CD1 3.95Å; V738-F768 HydrophobicContact CG2-CE1 3.52Å; V738-F768 HydrophobicContact CG2-CZ 4.2Å; L741-F768 HydrophobicContact CD2-CD2 4.37Å; L741-F768 HydrophobicContact CD2-CE2 3.67Å; L741-F768 HydrophobicContact CD2-CZ 4.4Å; I758-F768 HydrophobicContact CG2-CE2 3.97Å; I758-F768 HydrophobicContact CG2-CZ 4.33Å; F765-F768 AromaticContact CD2-CD2 3.82Å; F765-F768 HydrophobicContact CD2-CD2 3.82Å; F765-F768 AromaticContact CD2-CE2 3.96Å; F765-F768 HydrophobicContact CD2-CE2 3.96Å; F765-F768 HydrophobicContact CD2-CG 4.42Å; F765-F768 HydrophobicContact CE2-CD2 4.11Å; F765-F768 HydrophobicContact CE2-CE2 4.47Å; F765-F768 WeakPolarHBondContact O-CB 3.09Å; F765-F768 PolarHBondContact O-N 3.3Å; F768-L772 HydrophobicContact CB-CB 4.45Å; F768-L772 HydrophobicContact CB-CD2 4.25Å; F768-L772 HydrophobicContact CD2-CD2 3.65Å; F768-L772 HydrophobicContact CD2-CG 3.98Å; F768-L772 HydrophobicContact CE2-CD2 4.15Å; F768-L772 HydrophobicContact CG-CD2 3.99Å; F768-K773 HydrophobicContact CB-CG 3.73Å; F768-K773 WeakPolarHBondContact O-CE 3.24Å |
| 769 | S | 84 | Confident | 85.3 | Confident | 55 Ų | 55 | 54.2 Ų | 54.2 | 39% | 0.385 | 29% | 0.292 | S | S | . | . | trans | -57.6 | 144.1 | 171.4 | 78.2 | 0 | 0 | 0 | 0 | 109.7 | L771 L772 K773 | S769-L771 PolarHBondContact O-N 3.49Å; S769-L771 VanDerWaalsContact O-N 3.13Å; S769-L772 PolarHBondContact O-N 3.49Å; S769-L772 WeakPolarHBondContact OG-CB 3.4Å; S769-L772 PolarHBondContact OG-N 3.38Å; S769-K773 PolarHBondContact O-N 2.97Å | ||
| 770 | E | 80.4 | Confident | 85.2 | Confident | 129 Ų | 129 | 51.8 Ų | 51.8 | 60% | 0.603 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.2 | -33.4 | -174.4 | -149.7 | 61.8 | -170 | 0 | 0 | 111.8 | K773 E774 | E770-K773 PolarHBondContact O-N 3.37Å; E770-K773 IonicContact OE2-NZ 3.3Å; E770-K773 PolarHBondContact OE2-NZ 3.44Å; E770-E774 PolarHBondContact O-N 3.45Å; E770-E774 VanDerWaalsContact O-N 3.1Å |
| 771 | L | 85.7 | Confident | 85.3 | Confident | 85 Ų | 85 | 55.9 Ų | 55.9 | 45% | 0.445 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.7 | -48 | 172.1 | -171.4 | 68.3 | 0 | 0 | 0 | 112 | S769 K773 E774 Y775 | S769-L771 PolarHBondContact O-N 3.49Å; S769-L771 VanDerWaalsContact O-N 3.13Å; L771-K773 VanDerWaalsContact C-N 3.32Å; L771-K773 PolarHBondContact O-N 3.16Å; L771-E774 PolarHBondContact O-N 3.48Å; L771-Y775 HydrophobicContact CD1-CD2 4.35Å; L771-Y775 HydrophobicContact CD1-CE2 3.97Å; L771-Y775 HydrophobicContact CG-CD2 4.19Å; L771-Y775 HydrophobicContact CG-CE2 4.09Å; L771-Y775 WeakPolarHBondContact O-CD2 3.39Å; L771-Y775 PolarHBondContact O-N 3.47Å; L771-Y775 VanDerWaalsContact O-N 3.1Å |
| 772 | L | 89.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 180 | -172 | 63.8 | 0 | 0 | 0 | 111.6 | V738 L741 E742 K745 F768 S769 Y775 V776 | V738-L772 HydrophobicContact CG1-CD2 4.12Å; L741-L772 HydrophobicContact CB-CD2 4.4Å; L741-L772 HydrophobicContact CD2-CD1 3.98Å; L741-L772 HydrophobicContact CD2-CD2 3.95Å; L741-L772 HydrophobicContact CD2-CG 4.06Å; L741-L772 HydrophobicContact CG-CD1 4.39Å; E742-L772 WeakPolarHBondContact OE2-CD2 3.36Å; K745-L772 HydrophobicContact CB-CD1 3.81Å; K745-L772 HydrophobicContact CD-CD1 4.4Å; F768-L772 HydrophobicContact CB-CB 4.45Å; F768-L772 HydrophobicContact CB-CD2 4.25Å; F768-L772 HydrophobicContact CD2-CD2 3.65Å; F768-L772 HydrophobicContact CD2-CG 3.98Å; F768-L772 HydrophobicContact CE2-CD2 4.15Å; F768-L772 HydrophobicContact CG-CD2 3.99Å; S769-L772 PolarHBondContact O-N 3.49Å; S769-L772 WeakPolarHBondContact OG-CB 3.4Å; S769-L772 PolarHBondContact OG-N 3.38Å; L772-Y775 PolarHBondContact O-N 3.37Å; L772-V776 WeakPolarHBondContact O-CG2 3.46Å; L772-V776 PolarHBondContact O-N 3.01Å |
| 773 | K | 89.5 | Confident | 85 | Confident | 30 Ų | 30 | 58.1 Ų | 58.1 | 13% | 0.13 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.1 | -46 | 173 | -69.1 | -179.6 | -171.1 | 155.1 | 0 | 111.7 | F765 N766 F768 S769 E770 L771 Y775 V776 Q777 | F765-K773 HydrophobicContact CE2-CG 4.26Å; F765-K773 HydrophobicContact CZ-CB 4.18Å; F765-K773 HydrophobicContact CZ-CG 4.14Å; F765-K773 VanDerWaalsContact O-CE 3.32Å; F765-K773 WeakPolarHBondContact O-CE 3.48Å; N766-K773 WeakPolarHBondContact O-CE 3.5Å; N766-K773 PolarHBondContact O-NZ 2.9Å; F768-K773 HydrophobicContact CB-CG 3.73Å; F768-K773 WeakPolarHBondContact O-CE 3.24Å; S769-K773 PolarHBondContact O-N 2.97Å; E770-K773 PolarHBondContact O-N 3.37Å; E770-K773 IonicContact OE2-NZ 3.3Å; E770-K773 PolarHBondContact OE2-NZ 3.44Å; L771-K773 VanDerWaalsContact C-N 3.32Å; L771-K773 PolarHBondContact O-N 3.16Å; K773-Y775 VanDerWaalsContact C-N 3.32Å; K773-Y775 PolarHBondContact O-N 3.17Å; K773-V776 PolarHBondContact O-N 3.2Å; K773-Q777 WeakPolarHBondContact O-CB 3.31Å; K773-Q777 VanDerWaalsContact O-CG 3.29Å; K773-Q777 WeakPolarHBondContact O-CG 3.31Å; K773-Q777 PolarHBondContact O-N 3.23Å |
| 774 | E | 88.2 | Confident | 84.9 | Confident | 104 Ų | 104 | 56.8 Ų | 56.8 | 49% | 0.486 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59 | -43.7 | 176.6 | -76.3 | -176.1 | 176.5 | 0 | 0 | 111.5 | E770 L771 Q777 A778 P785 | E770-E774 PolarHBondContact O-N 3.45Å; E770-E774 VanDerWaalsContact O-N 3.1Å; L771-E774 PolarHBondContact O-N 3.48Å; E774-Q777 PolarHBondContact O-N 2.95Å; E774-A778 WeakPolarHBondContact O-CB 3.16Å; E774-A778 PolarHBondContact O-N 3.42Å; E774-P785 HydrophobicContact CB-CB 4.14Å |
| 775 | Y | 92.8 | Very high | 84.7 | Confident | 55 Ų | 55 | 57.4 Ų | 57.4 | 22% | 0.216 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65 | -40.2 | 176.5 | -87.8 | -86.3 | 0 | 0 | 0 | 113.2 | K745 L771 L772 K773 G779 P785 | K745-Y775 HydrophobicContact CB-CD1 4.37Å; K745-Y775 HydrophobicContact CB-CG 4.17Å; K745-Y775 HydrophobicContact CD-CD2 4.25Å; K745-Y775 HydrophobicContact CD-CE2 4.46Å; K745-Y775 HydrophobicContact CG-CD1 4.49Å; K745-Y775 HydrophobicContact CG-CG 4.41Å; K745-Y775 VanDerWaalsContact O-CD1 3.28Å; K745-Y775 WeakPolarHBondContact O-CD1 3.49Å; L771-Y775 HydrophobicContact CD1-CD2 4.35Å; L771-Y775 HydrophobicContact CD1-CE2 3.97Å; L771-Y775 HydrophobicContact CG-CD2 4.19Å; L771-Y775 HydrophobicContact CG-CE2 4.09Å; L771-Y775 WeakPolarHBondContact O-CD2 3.39Å; L771-Y775 PolarHBondContact O-N 3.47Å; L771-Y775 VanDerWaalsContact O-N 3.1Å; L772-Y775 PolarHBondContact O-N 3.37Å; K773-Y775 VanDerWaalsContact C-N 3.32Å; K773-Y775 PolarHBondContact O-N 3.17Å; Y775-G779 WeakPolarHBondContact O-CA 3.21Å; Y775-G779 PolarHBondContact O-N 2.96Å; Y775-P785 HydrophobicContact CD1-CG 3.74Å; Y775-P785 HydrophobicContact CD2-CG 3.79Å; Y775-P785 HydrophobicContact CE1-CG 3.68Å; Y775-P785 HydrophobicContact CE2-CG 3.71Å; Y775-P785 HydrophobicContact CG-CG 3.8Å |
| 776 | V | 89.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.1 | -42.7 | 176.4 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | L741 L748 C755 I758 I759 F765 L772 K773 G779 A780 | L741-V776 HydrophobicContact CD2-CG2 3.74Å; L748-V776 HydrophobicContact CD1-CG2 3.7Å; C755-V776 HydrophobicContact CB-CG1 4.12Å; C755-V776 WeakPolarHBondContact CB-O 3.47Å; I758-V776 HydrophobicContact CB-CG1 4.17Å; I758-V776 HydrophobicContact CG2-CG1 3.98Å; I759-V776 HydrophobicContact CD1-CG1 4.16Å; I759-V776 HydrophobicContact CG1-CG1 3.81Å; F765-V776 HydrophobicContact CD2-CG1 4.48Å; F765-V776 HydrophobicContact CE2-CB 3.85Å; F765-V776 HydrophobicContact CE2-CG1 3.68Å; F765-V776 HydrophobicContact CE2-CG2 4.34Å; F765-V776 HydrophobicContact CZ-CB 4.42Å; F765-V776 HydrophobicContact CZ-CG1 4.27Å; L772-V776 WeakPolarHBondContact O-CG2 3.46Å; L772-V776 PolarHBondContact O-N 3.01Å; K773-V776 PolarHBondContact O-N 3.2Å; V776-G779 PolarHBondContact O-N 3.07Å; V776-A780 PolarHBondContact O-N 3.24Å |
| 777 | Q | 91 | Very high | 81.4 | Confident | 81 Ų | 81 | 63.6 Ų | 63.6 | 38% | 0.379 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.6 | -37.6 | 179.1 | -72.7 | 176.7 | -2 | 0 | 0 | 113.3 | I759 F765 K773 E774 R781 | I759-Q777 HydrophobicContact CD1-CG 4.28Å; F765-Q777 HydrophobicContact CZ-CG 4.05Å; K773-Q777 WeakPolarHBondContact O-CB 3.31Å; K773-Q777 VanDerWaalsContact O-CG 3.29Å; K773-Q777 WeakPolarHBondContact O-CG 3.31Å; K773-Q777 PolarHBondContact O-N 3.23Å; E774-Q777 PolarHBondContact O-N 2.95Å; Q777-R781 PolarHBondContact O-NE 3.4Å |
| 778 | A | 84.1 | Confident | 79.1 | Confident | 10 Ų | 10 | 71.9 Ų | 71.9 | 8% | 0.083 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.5 | -41.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | E774 A780 R781 S782 E783 P785 | E774-A778 WeakPolarHBondContact O-CB 3.16Å; E774-A778 PolarHBondContact O-N 3.42Å; A778-A780 VanDerWaalsContact C-N 3.33Å; A778-A780 PolarHBondContact O-N 3.12Å; A778-R781 CarbonylContact O-C 3.59Å; A778-R781 WeakPolarHBondContact O-CA 3.48Å; A778-R781 WeakPolarHBondContact O-CB 3.34Å; A778-R781 PolarHBondContact O-N 3.17Å; A778-S782 PolarHBondContact O-N 3.06Å; A778-E783 CarbonylContact C-O 3.52Å; A778-E783 VanDerWaalsContact CB-O 3.24Å; A778-E783 WeakPolarHBondContact CB-O 3.49Å; A778-E783 PolarHBondContact O-N 3.16Å; A778-E783 VanDerWaalsContact O-O 3.11Å; A778-P785 HydrophobicContact CB-CB 4.06Å |
| 779 | G | 84.8 | Confident | 76 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.4 | -37.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P752 Y775 V776 R781 S782 E783 | P752-G779 VanDerWaalsContact CA-O 3.32Å; P752-G779 WeakPolarHBondContact CA-O 3.46Å; P752-G779 WeakPolarHBondContact CB-O 3.23Å; Y775-G779 WeakPolarHBondContact O-CA 3.21Å; Y775-G779 PolarHBondContact O-N 2.96Å; V776-G779 PolarHBondContact O-N 3.07Å; G779-R781 PolarHBondContact O-N 3.39Å; G779-S782 WeakPolarHBondContact O-CA 3.31Å; G779-S782 PolarHBondContact O-N 3.07Å; G779-E783 PolarHBondContact N-O 2.96Å |
| 780 | A | 84.2 | Confident | 73.3 | Confident | 16 Ų | 16 | 81.2 Ų | 81.2 | 13% | 0.132 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.3 | -29.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C755 E756 I759 V776 A778 S782 | C755-A780 HydrophobicContact CB-CB 3.84Å; C755-A780 VanDerWaalsContact CB-N 3.35Å; E756-A780 HydrophobicContact CG-CB 3.89Å; I759-A780 HydrophobicContact CD1-CB 3.66Å; V776-A780 PolarHBondContact O-N 3.24Å; A778-A780 VanDerWaalsContact C-N 3.33Å; A778-A780 PolarHBondContact O-N 3.12Å; A780-S782 VanDerWaalsContact C-N 3.31Å |
| 781 | R | 84.4 | Confident | 70.5 | Confident | 167 Ų | 167 | 80.2 Ų | 80.2 | 63% | 0.63 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 4 | 172.7 | -60.3 | 177.1 | -127.8 | -175.1 | -1.8 | 113 | Q777 A778 G779 E783 | Q777-R781 PolarHBondContact O-NE 3.4Å; A778-R781 CarbonylContact O-C 3.59Å; A778-R781 WeakPolarHBondContact O-CA 3.48Å; A778-R781 WeakPolarHBondContact O-CB 3.34Å; A778-R781 PolarHBondContact O-N 3.17Å; G779-R781 PolarHBondContact O-N 3.39Å; R781-E783 HydrophobicContact CB-CG 4.33Å; R781-E783 PolarHBondContact O-N 3.26Å |
| 782 | S | 82 | Confident | 67.5 | Low | 66 Ų | 66 | 83.2 Ų | 83.2 | 46% | 0.462 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 28.3 | -171.3 | -47.6 | 0 | 0 | 0 | 0 | 114.1 | P752 A778 G779 A780 | P752-S782 WeakPolarHBondContact CB-OG 3.41Å; P752-S782 WeakPolarHBondContact CG-OG 3.35Å; A778-S782 PolarHBondContact O-N 3.06Å; G779-S782 WeakPolarHBondContact O-CA 3.31Å; G779-S782 PolarHBondContact O-N 3.07Å; A780-S782 VanDerWaalsContact C-N 3.31Å |
| 783 | E | 79.6 | Confident | 64.3 | Low | 105 Ų | 105 | 92.3 Ų | 92.3 | 49% | 0.491 | 47% | 0.472 | S | S | . | . | trans | -114.4 | 153.7 | -179.2 | -67.5 | 176.4 | 171.5 | 0 | 0 | 110.6 | A778 G779 R781 | A778-E783 CarbonylContact C-O 3.52Å; A778-E783 VanDerWaalsContact CB-O 3.24Å; A778-E783 WeakPolarHBondContact CB-O 3.49Å; A778-E783 PolarHBondContact O-N 3.16Å; A778-E783 VanDerWaalsContact O-O 3.11Å; G779-E783 PolarHBondContact N-O 2.96Å; R781-E783 HydrophobicContact CB-CG 4.33Å; R781-E783 PolarHBondContact O-N 3.26Å | ||
| 784 | D | 76.5 | Confident | 61.2 | Low | 77 Ų | 77 | 100.4 Ų | 100.4 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | trans | -76.8 | 145.5 | 160.8 | -69.2 | -61.7 | 0 | 0 | 0 | 108.7 | K749 I786 | K749-D784 WeakPolarHBondContact CD-OD1 3.22Å; K749-D784 IonicContact NZ-OD1 3.82Å; K749-D784 PolarHBondContact NZ-OD1 3.36Å; K749-D784 IonicContact NZ-OD2 3.59Å; K749-D784 PolarHBondContact NZ-OD2 3.43Å; D784-I786 PolarHBondContact O-N 3.06Å | ||
| 785 | P | 74.7 | Confident | 57.9 | Low | 16 Ų | 16 | 98.7 Ų | 98.7 | 10% | 0.104 | 52% | 0.52 | C | S | . | . | trans | -56.1 | 132.3 | 175.2 | 21.9 | -30.1 | 0 | 0 | 0 | 109.3 | E774 Y775 A778 T787 | E774-P785 HydrophobicContact CB-CB 4.14Å; Y775-P785 HydrophobicContact CD1-CG 3.74Å; Y775-P785 HydrophobicContact CD2-CG 3.79Å; Y775-P785 HydrophobicContact CE1-CG 3.68Å; Y775-P785 HydrophobicContact CE2-CG 3.71Å; Y775-P785 HydrophobicContact CG-CG 3.8Å; A778-P785 HydrophobicContact CB-CB 4.06Å; P785-T787 PolarHBondContact O-N 2.99Å | ||
| 786 | I | 52.6 | Low | 54.8 | Low | 156 Ų | 156 | 103.2 Ų | 103.2 | 80% | 0.8 | 55% | 0.554 | S | S | * | * | trans | -61.9 | 87 | -178.9 | -55.8 | 170.8 | 0 | 0 | 0 | 107.9 | D784 R788 | D784-I786 PolarHBondContact O-N 3.06Å; I786-R788 PolarHBondContact O-N 3.19Å | ||
| 787 | T | 44.7 | Very low | 51.4 | Low | 120 Ų | 120 | 108.1 Ų | 108.1 | 74% | 0.736 | 59% | 0.588 | S | S | * | * | trans | -57.8 | 113.7 | 164.9 | 16.4 | 0 | 0 | 0 | 0 | 105.6 | P785 A789 | P785-T787 PolarHBondContact O-N 2.99Å; T787-A789 PolarHBondContact O-N 3.14Å | ||
| 788 | R | 32.5 | Very low | 48.2 | Very low | 231 Ų | 231 | 110.5 Ų | 110.5 | 87% | 0.872 | 61% | 0.613 | S | S | * | * | trans | -45.5 | 99.1 | 163 | -76 | 177.4 | 176.7 | 151.1 | -0 | 106.6 | I786 L790 | I786-R788 PolarHBondContact O-N 3.19Å; R788-L790 PolarHBondContact O-N 3.33Å | ||
| 789 | A | 25.2 | Very low | 45.2 | Very low | 95 Ų | 95 | 113.6 Ų | 113.6 | 79% | 0.785 | 65% | 0.646 | S | S | * | * | trans | -68.2 | 84.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 105.3 | T787 S791 | T787-A789 PolarHBondContact O-N 3.14Å; A789-S791 VanDerWaalsContact C-N 3.34Å; A789-S791 PolarHBondContact O-N 3.08Å | ||
| 790 | L | 27.3 | Very low | 42.8 | Very low | 163 Ų | 163 | 118 Ų | 118 | 85% | 0.853 | 68% | 0.682 | S | S | * | * | trans | -59.8 | 107.6 | 163.3 | -80.3 | 170 | 0 | 0 | 0 | 105.6 | R788 I792 | R788-L790 PolarHBondContact O-N 3.33Å; L790-I792 PolarHBondContact O-N 3.28Å | ||
| 791 | S | 21.7 | Very low | 40.9 | Very low | 107 Ų | 107 | 121.9 Ų | 121.9 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | trans | -30.6 | 119.9 | 172.7 | -71.5 | 0 | 0 | 0 | 0 | 112.7 | A789 | A789-S791 VanDerWaalsContact C-N 3.34Å; A789-S791 PolarHBondContact O-N 3.08Å | ||
| 792 | I | 22.1 | Very low | 37.8 | Very low | 149 Ų | 149 | 122.4 Ų | 122.4 | 76% | 0.764 | 71% | 0.714 | S | S | * | * | 36.1 | 111 | 122.8 | -54.1 | 175.6 | 0 | 0 | 0 | 115.1 | L790 H794 | L790-I792 PolarHBondContact O-N 3.28Å; I792-H794 PolarHBondContact O-N 3.01Å | |||
| 793 | K | 23.5 | Very low | 35.1 | Very low | 190 Ų | 190 | 127.3 Ų | 127.3 | 83% | 0.826 | 73% | 0.729 | S | S | * | * | trans | 13.1 | 108.3 | 138.4 | -70.1 | 177.1 | 175.1 | 176.6 | 0 | 115 | ||||
| 794 | H | 22.8 | Very low | 32.8 | Very low | 201 Ų | 201 | 129.5 Ų | 129.5 | 93% | 0.931 | 74% | 0.743 | S | S | * | * | trans | -178.9 | 117.2 | 133.5 | -93.8 | -61.1 | 0 | 0 | 0 | 108.4 | I792 | I792-H794 PolarHBondContact O-N 3.01Š| ||
| 795 | G | 20.6 | Very low | 30.7 | Very low | 68 Ų | 68 | 131.8 Ų | 131.8 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | 157.9 | 61.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S797 | G795-S797 PolarHBondContact O-N 3.36Š| ||
| 796 | T | 26.1 | Very low | 28.1 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 92% | 0.92 | 79% | 0.794 | S | S | * | * | trans | -63.5 | 108.9 | 154.6 | 36.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 797 | S | 19.9 | Very low | 26.8 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -171.8 | 95.4 | 160.8 | 51.6 | 0 | 0 | 0 | 0 | 108.1 | G795 | G795-S797 PolarHBondContact O-N 3.36Š| ||
| 798 | S | 22.2 | Very low | 25.7 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | 54.6 | 110.2 | 89.1 | -174 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 799 | G | 21.8 | Very low | 25.2 | Very low | 75 Ų | 75 | 128.3 Ų | 128.3 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | 166.6 | 82 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 800 | A | 34.3 | Very low | 25 | Very low | 92 Ų | 92 | 133 Ų | 133 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -53.8 | 178 | 155.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 801 | P | 43.8 | Very low | 25.6 | Very low | 99 Ų | 99 | 131 Ų | 131 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | cis | -156.6 | -170.2 | 29.2 | 24.3 | 7.6 | 0 | 0 | 0 | 117.2 | ||||
| 802 | F | 20.7 | Very low | 25.7 | Very low | 177 Ų | 177 | 131.4 Ų | 131.4 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | 82.9 | 133.3 | 155 | -65.7 | -69.6 | 0 | 0 | 0 | 118.7 | ||||
| 803 | H | 24.7 | Very low | 25.7 | Very low | 169 Ų | 169 | 135.5 Ų | 135.5 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | cis | -156.5 | 132.6 | 15.3 | -144.8 | -75.9 | 0 | 0 | 0 | 110.2 | ||||
| 804 | L | 32.1 | Very low | 25.5 | Very low | 151 Ų | 151 | 131.9 Ų | 131.9 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -73.3 | 158.8 | 167.1 | -89.5 | 130.9 | 0 | 0 | 0 | 110.4 | ||||
| 805 | P | 31.6 | Very low | 25.4 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | -154.6 | 172.4 | 61.5 | 39.8 | -16.9 | 0 | 0 | 0 | 119.8 | |||||
| 806 | S | 20.6 | Very low | 25.4 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -51.7 | 145.2 | 167.2 | 179.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 807 | G | 24.9 | Very low | 25.1 | Very low | 81 Ų | 81 | 125.5 Ų | 125.5 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -153.1 | 96.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 808 | A | 21.4 | Very low | 25.1 | Very low | 82 Ų | 82 | 126.6 Ų | 126.6 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -89.1 | 147.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 809 | M | 21.7 | Very low | 25.1 | Very low | 178 Ų | 178 | 124.7 Ų | 124.7 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | 165.8 | 116.8 | 119.2 | -98.9 | 170.7 | 142.3 | 0 | 0 | 114.2 | |||||
| 810 | K | 22.2 | Very low | 26.1 | Very low | 193 Ų | 193 | 126.8 Ų | 126.8 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | 47.9 | 132.9 | 139.2 | -78.8 | -179.2 | 175.3 | 177.9 | 0 | 123.6 | ||||
| 811 | P | 38.2 | Very low | 25.4 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -90.9 | 156.5 | 173.4 | 38.4 | -33.1 | 0 | 0 | 0 | 113 | ||||
| 812 | P | 25 | Very low | 24.4 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | -145.6 | 141.4 | 127.3 | 34 | -16.6 | 0 | 0 | 0 | 115.9 | |||||
| 813 | R | 20.9 | Very low | 24.5 | Very low | 235 Ų | 235 | 129.6 Ų | 129.6 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | trans | 69.4 | 109.8 | 138.1 | -72.6 | -177.6 | 174.6 | 174.9 | -2 | 121.4 | ||||
| 814 | S | 19.9 | Very low | 24.3 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | 54.6 | 122.8 | 124.8 | 66.1 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 815 | G | 20.1 | Very low | 24.3 | Very low | 73 Ų | 73 | 127.7 Ų | 127.7 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | 120.6 | 120.1 | 131.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 816 | A | 20.7 | Very low | 24.3 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | 59.9 | 111.9 | 148.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 817 | S | 20.1 | Very low | 24.3 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | 103.8 | 144.6 | 78.3 | -167.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 818 | V | 20.5 | Very low | 24.3 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 76% | 0.758 | 77% | 0.773 | S | S | * | * | trans | 87.1 | 94.6 | 160.7 | -164.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 819 | A | 21.8 | Very low | 24.2 | Very low | 92 Ų | 92 | 130 Ų | 130 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | 67.5 | 154.1 | 116.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 820 | P | 42.7 | Very low | 24.5 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -106.4 | 165.1 | -149.9 | 40.6 | -32.9 | 0 | 0 | 0 | 113.7 | ||||
| 821 | M | 20.5 | Very low | 24.6 | Very low | 166 Ų | 166 | 124.7 Ų | 124.7 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -177.5 | 140.8 | 133.3 | -114.2 | -179.1 | 163 | 0 | 0 | 114 | ||||
| 822 | N | 21.7 | Very low | 25 | Very low | 117 Ų | 117 | 125 Ų | 125 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | 98.2 | 128.5 | 129.5 | -89.6 | -6.2 | 0 | 0 | 0 | 123.9 | |||||
| 823 | I | 23 | Very low | 24.8 | Very low | 143 Ų | 143 | 124.1 Ų | 124.1 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | 81.6 | 133.6 | 132.8 | -69.4 | 168.7 | 0 | 0 | 0 | 114.9 | ||||
| 824 | S | 20.7 | Very low | 25.1 | Very low | 100 Ų | 100 | 123 Ų | 123 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | cis | -178.1 | 157.6 | 9.6 | 36.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 825 | Q | 31.8 | Very low | 25.2 | Very low | 181 Ų | 181 | 123 Ų | 123 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | 1.2 | 153.1 | 149.2 | -75.3 | -178.9 | -17.2 | 0 | 0 | 120.4 | ||||
| 826 | P | 32.2 | Very low | 25.4 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | -162.2 | 158.4 | 60.9 | 42.5 | -19 | 0 | 0 | 0 | 121.9 | |||||
| 827 | T | 20.8 | Very low | 25.4 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | 68.3 | 144.9 | 132.6 | 59 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 828 | S | 23.5 | Very low | 25.5 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | 91.3 | 102.9 | 153.9 | 78.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 829 | S | 21.1 | Very low | 25.6 | Very low | 100 Ų | 100 | 128 Ų | 128 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | 95.9 | 104.6 | 69 | 67.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 830 | D | 26.1 | Very low | 25.6 | Very low | 170 Ų | 170 | 131.6 Ų | 131.6 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | 166 | 140.6 | 131.2 | -86.2 | -19 | 0 | 0 | 0 | 111.9 | ||||
| 831 | A | 25.6 | Very low | 25.1 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | -107.3 | -165.3 | -164 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 832 | P | 45.5 | Very low | 25.2 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | -131.6 | 158.5 | -68.9 | 36.1 | -20.6 | 0 | 0 | 0 | 113.4 | |||||
| 833 | A | 22 | Very low | 25.3 | Very low | 98 Ų | 98 | 122.6 Ų | 122.6 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | trans | 178.8 | 123.6 | 135.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 834 | K | 27 | Very low | 25.4 | Very low | 210 Ų | 210 | 121 Ų | 121 | 91% | 0.913 | 73% | 0.733 | S | S | * | * | trans | -59.3 | 136.8 | -173.7 | -67.7 | 168.8 | 172.5 | 177.8 | 0 | 113.3 | ||||
| 835 | P | 22.4 | Very low | 25.9 | Very low | 116 Ų | 116 | 117 Ų | 117 | 75% | 0.753 | 71% | 0.705 | S | S | * | * | trans | -131 | 116.4 | 130.5 | 30.9 | -16.2 | 0 | 0 | 0 | 112.2 | ||||
| 836 | K | 23.4 | Very low | 26 | Very low | 213 Ų | 213 | 112.2 Ų | 112.2 | 93% | 0.926 | 69% | 0.688 | S | S | * | * | trans | 7 | 107.4 | 142.7 | -61.7 | 175.5 | 177.2 | -178 | 0 | 116.6 | ||||
| 837 | S | 21.5 | Very low | 26.5 | Very low | 111 Ų | 111 | 109.8 Ų | 109.8 | 78% | 0.776 | 67% | 0.669 | S | S | * | * | trans | -159.9 | 149.9 | 154.2 | 76.9 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 838 | S | 22.7 | Very low | 27.5 | Very low | 99 Ų | 99 | 104.5 Ų | 104.5 | 69% | 0.692 | 64% | 0.637 | S | S | * | * | cis | -167.3 | 124.3 | 8 | 27.3 | 0 | 0 | 0 | 0 | 105.4 | K840 | S838-K840 PolarHBondContact O-N 3.17Š| ||
| 839 | A | 22.5 | Very low | 28 | Very low | 92 Ų | 92 | 105 Ų | 105 | 76% | 0.76 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 129 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 840 | K | 21.4 | Very low | 29.2 | Very low | 167 Ų | 167 | 103.5 Ų | 103.5 | 73% | 0.726 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 137.4 | 152.3 | -87.9 | -178.6 | 172.6 | -177.2 | 0 | 108.2 | D690 S838 | D690-K840 WeakPolarHBondContact OD2-CE 3.29Å; D690-K840 IonicContact OD2-NZ 3.53Å; S838-K840 PolarHBondContact O-N 3.17Å |
| 841 | P | 31.6 | Very low | 30.1 | Very low | 51 Ų | 51 | 95.7 Ų | 95.7 | 33% | 0.331 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -94.1 | 144.8 | -157.9 | 35.9 | -28.7 | 0 | 0 | 0 | 113.3 | K732 | K732-P841 HydrophobicContact CB-CG 4.2Å; K732-P841 HydrophobicContact CD-CG 3.31Å; K732-P841 HydrophobicContact CG-CG 3.72Å; K732-P841 VanDerWaalsContact NZ-CD 3.25Å |
| 842 | S | 23.6 | Very low | 31.2 | Very low | 98 Ų | 98 | 93.6 Ų | 93.6 | 69% | 0.685 | 55% | 0.549 | S | S | * | . | trans | -108.8 | 136 | 173.4 | -83 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 843 | V | 22.8 | Very low | 30.9 | Very low | 63 Ų | 63 | 91.7 Ų | 91.7 | 38% | 0.382 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -62.6 | 133.9 | 171.2 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | E687 T845 | E687-V843 HydrophobicContact CB-CB 4.49Å; E687-V843 HydrophobicContact CB-CG1 4.29Å; E687-V843 HydrophobicContact CB-CG2 3.46Å; E687-V843 VanDerWaalsContact CB-CG2 3.46Å; E687-V843 HydrophobicContact CG-CB 4.05Å; E687-V843 HydrophobicContact CG-CG1 3.55Å; E687-V843 HydrophobicContact CG-CG2 3.49Å; E687-V843 VanDerWaalsContact CG-CG2 3.49Å; E687-V843 VanDerWaalsContact OE1-CG1 3.29Å; E687-V843 WeakPolarHBondContact OE1-CG1 3.33Å; V843-T845 PolarHBondContact O-N 3.1Å |
| 844 | T | 26.1 | Very low | 32.1 | Very low | 109 Ų | 109 | 91.3 Ų | 91.3 | 67% | 0.669 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 54.5 | 51.9 | 165.1 | -34.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 845 | T | 29.3 | Very low | 32.9 | Very low | 17 Ų | 17 | 81.8 Ų | 81.8 | 10% | 0.104 | 49% | 0.486 | C | S | . | . | trans | -96.4 | 13.6 | 177.3 | -32.3 | 0 | 0 | 0 | 0 | 114.1 | V843 T848 E849 | V843-T845 PolarHBondContact O-N 3.1Å; T845-T848 WeakPolarHBondContact CG2-OG1 3.29Å; T845-E849 WeakPolarHBondContact CB-OE1 3.4Å; T845-E849 HydrophobicContact CG2-CB 4.44Å; T845-E849 HydrophobicContact CG2-CG 3.62Å; T845-E849 WeakPolarHBondContact CG2-OE1 3.43Å; T845-E849 WeakPolarHBondContact O-CB 3.38Å; T845-E849 WeakPolarHBondContact O-CG 3.28Å; T845-E849 PolarHBondContact O-N 2.85Å | ||
| 846 | T | 35 | Very low | 33.9 | Very low | 80 Ų | 80 | 81 Ų | 81 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.9 | -49.8 | -179.5 | 2.1 | 0 | 0 | 0 | 0 | 111.6 | T848 E849 T850 | T846-T848 PolarHBondContact O-N 3.41Å; T846-E849 PolarHBondContact O-N 3.47Å; T846-T850 PolarHBondContact O-N 3.36Å; T846-T850 PolarHBondContact O-OG1 2.84Å |
| 847 | N | 42.6 | Very low | 34.7 | Very low | 56 Ų | 56 | 79.2 Ų | 79.2 | 30% | 0.299 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -74.9 | -23.4 | -177.4 | -68.4 | 11.2 | 0 | 0 | 0 | 114.4 | R851 D962 | N847-R851 VanDerWaalsContact O-CD 3.25Å; N847-R851 WeakPolarHBondContact O-CD 3.36Å; N847-R851 VanDerWaalsContact O-CG 3.25Å; N847-R851 WeakPolarHBondContact O-CG 3.43Å; N847-D962 PolarHBondContact ND2-OD1 2.98Å |
| 848 | T | 40.9 | Very low | 35.7 | Very low | 18 Ų | 18 | 77.6 Ų | 77.6 | 11% | 0.11 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -85.1 | -33.7 | 173.7 | 38.2 | 0 | 0 | 0 | 0 | 112.7 | T845 T846 R851 V852 V910 K911 | T845-T848 WeakPolarHBondContact CG2-OG1 3.29Å; T846-T848 PolarHBondContact O-N 3.41Å; T848-R851 PolarHBondContact O-N 3.02Å; T848-V852 WeakPolarHBondContact O-CG2 3.32Å; T848-V852 PolarHBondContact O-N 2.96Å; T848-V910 HydrophobicContact CG2-CG1 4Å; T848-K911 PolarHBondContact OG1-NZ 3.08Å |
| 849 | E | 35.5 | Very low | 36.6 | Very low | 119 Ų | 119 | 75.1 Ų | 75.1 | 56% | 0.556 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.9 | -42.7 | 172.6 | -83.3 | 163 | -164.4 | 0 | 0 | 111.3 | T845 T846 R851 V852 S853 | T845-E849 WeakPolarHBondContact CB-OE1 3.4Å; T845-E849 HydrophobicContact CG2-CB 4.44Å; T845-E849 HydrophobicContact CG2-CG 3.62Å; T845-E849 WeakPolarHBondContact CG2-OE1 3.43Å; T845-E849 WeakPolarHBondContact O-CB 3.38Å; T845-E849 WeakPolarHBondContact O-CG 3.28Å; T845-E849 PolarHBondContact O-N 2.85Å; T846-E849 PolarHBondContact O-N 3.47Å; E849-R851 PolarHBondContact O-N 2.93Å; E849-V852 PolarHBondContact O-N 2.86Å; E849-V852 VanDerWaalsContact O-N 3.09Å; E849-S853 PolarHBondContact O-N 3.07Å; E849-S853 PolarHBondContact O-OG 2.87Å |
| 850 | T | 46 | Very low | 37.6 | Very low | 68 Ų | 68 | 76 Ų | 76 | 42% | 0.417 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.3 | -33.9 | 175.5 | -45.3 | 0 | 0 | 0 | 0 | 111.7 | T846 S853 V854 | T846-T850 PolarHBondContact O-N 3.36Å; T846-T850 PolarHBondContact O-OG1 2.84Å; T850-S853 VanDerWaalsContact CA-OG 3.25Å; T850-S853 WeakPolarHBondContact CA-OG 3.36Å; T850-S853 PolarHBondContact O-N 2.85Å; T850-S853 PolarHBondContact O-OG 2.68Å; T850-V854 WeakPolarHBondContact O-CG2 3.5Å; T850-V854 PolarHBondContact O-N 3.03Å |
| 851 | R | 44.2 | Very low | 39 | Very low | 7 Ų | 7 | 75.6 Ų | 75.6 | 3% | 0.026 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -73.5 | -36.7 | 176.2 | -72.4 | 169.1 | 90 | 152.1 | 2.4 | 113 | N847 T848 E849 S853 V854 T855 S946 I949 L950 | N847-R851 VanDerWaalsContact O-CD 3.25Å; N847-R851 WeakPolarHBondContact O-CD 3.36Å; N847-R851 VanDerWaalsContact O-CG 3.25Å; N847-R851 WeakPolarHBondContact O-CG 3.43Å; T848-R851 PolarHBondContact O-N 3.02Å; E849-R851 PolarHBondContact O-N 2.93Å; R851-S853 VanDerWaalsContact C-N 3.29Å; R851-V854 PolarHBondContact O-N 3.04Å; R851-T855 WeakPolarHBondContact O-CG2 3.5Å; R851-T855 PolarHBondContact O-N 2.78Å; R851-T855 PolarHBondContact O-OG1 3.48Å; R851-T855 VanDerWaalsContact O-OG1 3.12Å; R851-S946 PolarHBondContact NH2-O 3.45Å; R851-I949 HydrophobicContact CG-CG2 4.14Å; R851-L950 VanDerWaalsContact CZ-CG 3.46Å; R851-L950 VanDerWaalsContact NH1-CD1 3.32Å |
| 852 | V | 48.7 | Very low | 40.1 | Very low | 46 Ų | 46 | 78.6 Ų | 78.6 | 28% | 0.279 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.6 | -31.9 | 172.6 | 176.3 | 0 | 0 | 0 | 0 | 111 | T848 E849 T855 V910 | T848-V852 WeakPolarHBondContact O-CG2 3.32Å; T848-V852 PolarHBondContact O-N 2.96Å; E849-V852 PolarHBondContact O-N 2.86Å; E849-V852 VanDerWaalsContact O-N 3.09Å; V852-T855 WeakPolarHBondContact CA-OG1 3.5Å; V852-T855 PolarHBondContact O-OG1 3.31Å; V852-V910 HydrophobicContact CG2-CG1 4.07Å |
| 853 | S | 40.2 | Very low | 42.2 | Very low | 87 Ų | 87 | 79.5 Ų | 79.5 | 61% | 0.608 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -78.4 | -27.4 | 176.6 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | E849 T850 R851 | E849-S853 PolarHBondContact O-N 3.07Å; E849-S853 PolarHBondContact O-OG 2.87Å; T850-S853 VanDerWaalsContact CA-OG 3.25Å; T850-S853 WeakPolarHBondContact CA-OG 3.36Å; T850-S853 PolarHBondContact O-N 2.85Å; T850-S853 PolarHBondContact O-OG 2.68Å; R851-S853 VanDerWaalsContact C-N 3.29Å |
| 854 | V | 46.4 | Very low | 44.7 | Very low | 90 Ų | 90 | 76.8 Ų | 76.8 | 55% | 0.545 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -78.5 | -25.1 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 111.9 | T850 R851 D856 I949 | T850-V854 WeakPolarHBondContact O-CG2 3.5Å; T850-V854 PolarHBondContact O-N 3.03Å; R851-V854 PolarHBondContact O-N 3.04Å; V854-D856 PolarHBondContact O-N 3.18Å; V854-D856 VanDerWaalsContact O-N 3.12Å; V854-I949 HydrophobicContact CB-CD1 4.38Å; V854-I949 HydrophobicContact CG1-CD1 3.92Å; V854-I949 HydrophobicContact CG1-CG1 4.2Å |
| 855 | T | 44.5 | Very low | 47 | Very low | 11 Ų | 11 | 79 Ų | 79 | 7% | 0.067 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -75.4 | 98.8 | 176 | 43.5 | 0 | 0 | 0 | 0 | 111.4 | R851 V852 Q906 E942 I949 | R851-T855 WeakPolarHBondContact O-CG2 3.5Å; R851-T855 PolarHBondContact O-N 2.78Å; R851-T855 PolarHBondContact O-OG1 3.48Å; R851-T855 VanDerWaalsContact O-OG1 3.12Å; V852-T855 WeakPolarHBondContact CA-OG1 3.5Å; V852-T855 PolarHBondContact O-OG1 3.31Å; T855-Q906 PolarHBondContact OG1-NE2 3.06Å; T855-E942 WeakPolarHBondContact CG2-OE1 3.31Å; T855-I949 HydrophobicContact CG2-CD1 4.49Å |
| 856 | D | 42.7 | Very low | 49.3 | Very low | 99 Ų | 99 | 85.5 Ų | 85.5 | 53% | 0.529 | 46% | 0.46 | S | S | . | . | trans | 27.6 | 117.4 | 166.9 | -81.5 | -42.9 | 0 | 0 | 0 | 117.1 | V854 A858 A859 K945 | V854-D856 PolarHBondContact O-N 3.18Å; V854-D856 VanDerWaalsContact O-N 3.12Å; D856-A858 HydrophobicContact CB-CB 4.36Å; D856-A858 PolarHBondContact O-N 2.9Å; D856-A859 PolarHBondContact O-N 3.2Å; D856-K945 IonicContact OD2-NZ 3.43Å; D856-K945 PolarHBondContact OD2-NZ 3.3Å | ||
| 857 | E | 40.2 | Very low | 51.3 | Low | 175 Ų | 175 | 84.9 Ų | 84.9 | 82% | 0.818 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | -22.1 | 167.7 | -72.8 | -164.4 | 146.9 | 0 | 0 | 113.7 | A859 | E857-A859 VanDerWaalsContact C-N 3.34Å; E857-A859 PolarHBondContact O-N 3.42Å |
| 858 | A | 42.1 | Very low | 53.2 | Low | 77 Ų | 77 | 83.5 Ų | 83.5 | 64% | 0.636 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -28.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D856 | D856-A858 HydrophobicContact CB-CB 4.36Å; D856-A858 PolarHBondContact O-N 2.9Å |
| 859 | A | 42.2 | Very low | 55.2 | Low | 47 Ų | 47 | 84.6 Ų | 84.6 | 39% | 0.388 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -81.4 | -23.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D856 E857 Q861 H862 | D856-A859 PolarHBondContact O-N 3.2Å; E857-A859 VanDerWaalsContact C-N 3.34Å; E857-A859 PolarHBondContact O-N 3.42Å; A859-Q861 PolarHBondContact O-N 3.42Å; A859-H862 PolarHBondContact O-N 3.23Å |
| 860 | L | 43 | Very low | 57.4 | Low | 111 Ų | 111 | 84.6 Ų | 84.6 | 58% | 0.581 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -64.8 | -18 | 176.3 | -84.2 | 161.7 | 0 | 0 | 0 | 113.1 | H862 | L860-H862 VanDerWaalsContact C-N 3.31Å; L860-H862 PolarHBondContact O-N 2.67Å |
| 861 | Q | 50.3 | Low | 59.1 | Low | 158 Ų | 158 | 86 Ų | 86 | 74% | 0.738 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -74.3 | -13.1 | -178.9 | -73 | -165 | -8.5 | 0 | 0 | 115 | A859 | A859-Q861 PolarHBondContact O-N 3.42Š|
| 862 | H | 55.8 | Low | 61.1 | Low | 115 Ų | 115 | 85.8 Ų | 85.8 | 53% | 0.532 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -133.7 | 44.1 | -172.9 | -70.3 | -47.6 | 0 | 0 | 0 | 114.8 | A859 L860 P864 | A859-H862 PolarHBondContact O-N 3.23Å; L860-H862 VanDerWaalsContact C-N 3.31Å; L860-H862 PolarHBondContact O-N 2.67Å; H862-P864 WeakPolarHBondContact O-CD 3.36Å |
| 863 | Q | 66.8 | Low | 62.7 | Low | 116 Ų | 116 | 85.1 Ų | 85.1 | 54% | 0.542 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 127.9 | 163.9 | -85.2 | -169.4 | 5 | 0 | 0 | 110.3 | ||
| 864 | P | 75.1 | Confident | 64.8 | Low | 7 Ų | 7 | 87.1 Ų | 87.1 | 5% | 0.045 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 159.2 | 171.1 | -20.3 | 31 | 0 | 0 | 0 | 110.8 | H862 E866 V868 Q869 N900 W903 | H862-P864 WeakPolarHBondContact O-CD 3.36Å; P864-E866 PolarHBondContact O-N 3.29Å; P864-V868 HydrophobicContact CB-CB 3.98Å; P864-V868 HydrophobicContact CB-CG1 3.97Å; P864-Q869 HydrophobicContact CB-CG 4.21Å; P864-Q869 PolarHBondContact O-NE2 3.1Å; P864-N900 HydrophobicContact CG-CB 4.12Å; P864-W903 VanDerWaalsContact CD-CD2 3.44Å; P864-W903 HydrophobicContact CG-CB 4.15Å; P864-W903 HydrophobicContact CG-CD2 3.78Å; P864-W903 HydrophobicContact CG-CE3 3.67Å; P864-W903 HydrophobicContact CG-CG 3.99Å; P864-W903 HydrophobicContact CG-CZ3 4.39Å |
| 865 | E | 75.7 | Confident | 66.7 | Low | 156 Ų | 156 | 83.1 Ų | 83.1 | 73% | 0.729 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 141 | 171.1 | -67.5 | -173.1 | 164 | 0 | 0 | 110.7 | A867 V868 Q869 | E865-A867 PolarHBondContact O-N 3.38Å; E865-V868 HydrophobicContact CB-CG2 4.36Å; E865-V868 WeakPolarHBondContact O-CA 3.37Å; E865-V868 VanDerWaalsContact O-CB 3.31Å; E865-V868 WeakPolarHBondContact O-CB 3.31Å; E865-V868 PolarHBondContact O-N 3Å; E865-Q869 PolarHBondContact O-N 3.45Å; E865-Q869 VanDerWaalsContact O-N 3.08Å |
| 866 | E | 78.2 | Confident | 68.8 | Low | 152 Ų | 152 | 82.9 Ų | 82.9 | 71% | 0.71 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -54.6 | -31.4 | -174.4 | -156.2 | 175.6 | -167.8 | 0 | 0 | 112.6 | P864 Q869 L870 | P864-E866 PolarHBondContact O-N 3.29Å; E866-Q869 PolarHBondContact O-N 3.02Å; E866-L870 WeakPolarHBondContact O-CB 3.07Å; E866-L870 PolarHBondContact O-N 3.46Å |
| 867 | A | 77 | Confident | 70.8 | Confident | 67 Ų | 67 | 82.9 Ų | 82.9 | 55% | 0.554 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.3 | -41.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E865 Q871 | E865-A867 PolarHBondContact O-N 3.38Å; A867-Q871 WeakPolarHBondContact O-CB 3.47Å; A867-Q871 PolarHBondContact O-N 2.91Å |
| 868 | V | 80.9 | Confident | 73.1 | Confident | 27 Ų | 27 | 77.9 Ų | 77.9 | 16% | 0.164 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.8 | -40.3 | 176 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | P864 E865 Q871 I872 V894 | P864-V868 HydrophobicContact CB-CB 3.98Å; P864-V868 HydrophobicContact CB-CG1 3.97Å; E865-V868 HydrophobicContact CB-CG2 4.36Å; E865-V868 WeakPolarHBondContact O-CA 3.37Å; E865-V868 VanDerWaalsContact O-CB 3.31Å; E865-V868 WeakPolarHBondContact O-CB 3.31Å; E865-V868 PolarHBondContact O-N 3Å; V868-Q871 WeakPolarHBondContact O-CB 3.48Å; V868-Q871 PolarHBondContact O-N 3.44Å; V868-I872 HydrophobicContact CG1-CD1 3.91Å; V868-I872 HydrophobicContact CG1-CG1 4.45Å; V868-I872 WeakPolarHBondContact O-CG1 3.42Å; V868-I872 PolarHBondContact O-N 3.28Å; V868-V894 HydrophobicContact CG1-CG1 3.5Å |
| 869 | Q | 84.2 | Confident | 75.3 | Confident | 42 Ų | 42 | 74.9 Ų | 74.9 | 20% | 0.196 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 175.9 | -57.5 | -173 | 24.7 | 0 | 0 | 111.5 | P864 E865 E866 Q871 I872 S873 W903 | P864-Q869 HydrophobicContact CB-CG 4.21Å; P864-Q869 PolarHBondContact O-NE2 3.1Å; E865-Q869 PolarHBondContact O-N 3.45Å; E865-Q869 VanDerWaalsContact O-N 3.08Å; E866-Q869 PolarHBondContact O-N 3.02Å; Q869-Q871 VanDerWaalsContact C-N 3.35Å; Q869-I872 PolarHBondContact O-N 3.49Å; Q869-S873 WeakPolarHBondContact O-CB 3.14Å; Q869-S873 PolarHBondContact O-N 3.43Å; Q869-W903 HydrophobicContact CB-CH2 3.67Å; Q869-W903 HydrophobicContact CB-CZ2 3.95Å; Q869-W903 HydrophobicContact CB-CZ3 4.48Å; Q869-W903 HydrophobicContact CG-CH2 3.6Å; Q869-W903 HydrophobicContact CG-CZ2 3.54Å; Q869-W903 HydrophobicContact CG-CZ3 4.25Å |
| 870 | L | 81.5 | Confident | 77.6 | Confident | 118 Ų | 118 | 74.8 Ų | 74.8 | 62% | 0.618 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.9 | -41.3 | 174.2 | -85 | 162 | 0 | 0 | 0 | 111.8 | E866 S873 F874 | E866-L870 WeakPolarHBondContact O-CB 3.07Å; E866-L870 PolarHBondContact O-N 3.46Å; L870-S873 PolarHBondContact O-N 3.25Å; L870-F874 VanDerWaalsContact O-CB 3.25Å; L870-F874 WeakPolarHBondContact O-CB 3.47Å; L870-F874 PolarHBondContact O-N 3.4Å |
| 871 | Q | 82.4 | Confident | 79.6 | Confident | 98 Ų | 98 | 73 Ų | 73 | 46% | 0.458 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 176.5 | -174.8 | 179.9 | -2.7 | 0 | 0 | 111.8 | A867 V868 Q869 F874 L875 | A867-Q871 WeakPolarHBondContact O-CB 3.47Å; A867-Q871 PolarHBondContact O-N 2.91Å; V868-Q871 WeakPolarHBondContact O-CB 3.48Å; V868-Q871 PolarHBondContact O-N 3.44Å; Q869-Q871 VanDerWaalsContact C-N 3.35Å; Q871-F874 PolarHBondContact O-N 3.25Å; Q871-L875 WeakPolarHBondContact O-CB 3.42Å; Q871-L875 PolarHBondContact O-N 2.92Å |
| 872 | I | 85.6 | Confident | 81.4 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 176.2 | -70.4 | 166.7 | 0 | 0 | 0 | 110.5 | V868 Q869 F874 L875 F876 M891 V894 W903 L904 Y907 | V868-I872 HydrophobicContact CG1-CD1 3.91Å; V868-I872 HydrophobicContact CG1-CG1 4.45Å; V868-I872 WeakPolarHBondContact O-CG1 3.42Å; V868-I872 PolarHBondContact O-N 3.28Å; Q869-I872 PolarHBondContact O-N 3.49Å; I872-F874 VanDerWaalsContact C-N 3.34Å; I872-F874 PolarHBondContact O-N 3.08Å; I872-L875 WeakPolarHBondContact O-CB 3.32Å; I872-L875 PolarHBondContact O-N 3.28Å; I872-F876 HydrophobicContact CG2-CD2 3.95Å; I872-F876 HydrophobicContact CG2-CE2 4.07Å; I872-F876 WeakPolarHBondContact O-CD2 3.1Å; I872-F876 PolarHBondContact O-N 3.27Å; I872-M891 HydrophobicContact CG1-CE 4.33Å; I872-M891 HydrophobicContact CG1-SD 4.47Å; I872-M891 HydrophobicContact CG2-CE 4.24Å; I872-V894 HydrophobicContact CD1-CG1 3.91Å; I872-V894 HydrophobicContact CG1-CG1 3.95Å; I872-W903 HydrophobicContact CB-CZ3 4.49Å; I872-W903 HydrophobicContact CD1-CE3 4.3Å; I872-W903 HydrophobicContact CD1-CZ3 3.73Å; I872-W903 HydrophobicContact CG2-CZ3 4.34Å; I872-L904 HydrophobicContact CD1-CD1 4.33Å; I872-L904 HydrophobicContact CG2-CD1 3.73Å; I872-Y907 HydrophobicContact CG2-CD1 4Å; I872-Y907 HydrophobicContact CG2-CE1 3.81Å |
| 873 | S | 81.3 | Confident | 82.9 | Confident | 33 Ų | 33 | 64.6 Ų | 64.6 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 177.8 | -174.5 | 0 | 0 | 0 | 0 | 112 | Q869 L870 L875 F876 N877 Y907 R912 | Q869-S873 WeakPolarHBondContact O-CB 3.14Å; Q869-S873 PolarHBondContact O-N 3.43Å; L870-S873 PolarHBondContact O-N 3.25Å; S873-L875 VanDerWaalsContact C-N 3.32Å; S873-L875 PolarHBondContact O-N 2.79Å; S873-F876 PolarHBondContact O-N 3.1Å; S873-N877 WeakPolarHBondContact O-CB 3.44Å; S873-N877 VanDerWaalsContact O-CG 3.26Å; S873-N877 PolarHBondContact O-N 3.44Å; S873-N877 PolarHBondContact O-ND2 2.86Å; S873-Y907 WeakPolarHBondContact CA-OH 3.46Å; S873-Y907 PolarHBondContact OG-OH 3.28Å; S873-R912 PolarHBondContact OG-NH2 3.09Å |
| 874 | F | 84.8 | Confident | 84.1 | Confident | 129 Ų | 129 | 59.5 Ų | 59.5 | 57% | 0.566 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62.3 | -39 | 174.6 | -175.8 | -97.3 | 0 | 0 | 0 | 112.1 | L870 Q871 I872 N878 | L870-F874 VanDerWaalsContact O-CB 3.25Å; L870-F874 WeakPolarHBondContact O-CB 3.47Å; L870-F874 PolarHBondContact O-N 3.4Å; Q871-F874 PolarHBondContact O-N 3.25Å; I872-F874 VanDerWaalsContact C-N 3.34Å; I872-F874 PolarHBondContact O-N 3.08Å; F874-N878 WeakPolarHBondContact CD2-ND2 3.36Å; F874-N878 WeakPolarHBondContact CE2-ND2 3.5Å; F874-N878 VanDerWaalsContact CZ-ND2 3.29Å; F874-N878 WeakPolarHBondContact CZ-ND2 3.46Å; F874-N878 WeakPolarHBondContact O-CB 3.29Å; F874-N878 PolarHBondContact O-N 3.4Å; F874-N878 VanDerWaalsContact O-N 3.15Å; F874-N878 PolarHBondContact O-ND2 3.33Å |
| 875 | L | 86.9 | Confident | 84.8 | Confident | 5 Ų | 5 | 64.7 Ų | 64.7 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.4 | -48 | 178.5 | -171.3 | 150.3 | 0 | 0 | 0 | 111.6 | Q871 I872 S873 N878 L879 K887 Q890 M891 F926 | Q871-L875 WeakPolarHBondContact O-CB 3.42Å; Q871-L875 PolarHBondContact O-N 2.92Å; I872-L875 WeakPolarHBondContact O-CB 3.32Å; I872-L875 PolarHBondContact O-N 3.28Å; S873-L875 VanDerWaalsContact C-N 3.32Å; S873-L875 PolarHBondContact O-N 2.79Å; L875-N878 CarbonylContact O-C 3.53Å; L875-N878 PolarHBondContact O-N 3.09Å; L875-L879 PolarHBondContact O-N 3.31Å; L875-K887 HydrophobicContact CD2-CB 4.11Å; L875-K887 HydrophobicContact CG-CB 4.24Å; L875-K887 HydrophobicContact CG-CD 4.23Å; L875-K887 HydrophobicContact CG-CG 4.48Å; L875-Q890 HydrophobicContact CD1-CB 3.96Å; L875-M891 HydrophobicContact CD1-CB 4.05Å; L875-M891 HydrophobicContact CD1-SD 3.86Å; L875-M891 HydrophobicContact CD2-SD 4.14Å; L875-F926 HydrophobicContact CD2-CE2 3.92Å; L875-F926 HydrophobicContact CD2-CZ 3.78Å |
| 876 | F | 88.2 | Confident | 85.3 | Confident | 6 Ų | 6 | 62.5 Ų | 62.5 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.2 | -38.1 | 178.9 | -81 | -76.7 | 0 | 0 | 0 | 113.1 | I872 S873 N878 L879 M891 L904 Y907 L908 Y923 F926 | I872-F876 HydrophobicContact CG2-CD2 3.95Å; I872-F876 HydrophobicContact CG2-CE2 4.07Å; I872-F876 WeakPolarHBondContact O-CD2 3.1Å; I872-F876 PolarHBondContact O-N 3.27Å; S873-F876 PolarHBondContact O-N 3.1Å; F876-N878 PolarHBondContact O-N 3.01Å; F876-L879 HydrophobicContact CD1-CD2 3.94Å; F876-L879 HydrophobicContact CE1-CD2 4.07Å; F876-L879 WeakPolarHBondContact O-CB 3.29Å; F876-L879 PolarHBondContact O-N 2.94Å; F876-L879 VanDerWaalsContact O-N 3.15Å; F876-M891 HydrophobicContact CE2-CE 3.58Å; F876-M891 HydrophobicContact CZ-CE 4.13Å; F876-L904 HydrophobicContact CE2-CD1 4.21Å; F876-Y907 HydrophobicContact CD2-CE1 4.21Å; F876-L908 HydrophobicContact CD1-CD2 3.95Å; F876-L908 HydrophobicContact CD2-CD2 4.09Å; F876-L908 HydrophobicContact CE1-CD2 3.41Å; F876-L908 VanDerWaalsContact CE1-CD2 3.41Å; F876-L908 HydrophobicContact CE2-CD1 4.4Å; F876-L908 HydrophobicContact CE2-CD2 3.56Å; F876-L908 HydrophobicContact CE2-CG 4.25Å; F876-L908 HydrophobicContact CG-CD2 4.27Å; F876-L908 HydrophobicContact CZ-CD1 3.94Å; F876-L908 HydrophobicContact CZ-CD2 3.2Å; F876-L908 HydrophobicContact CZ-CG 4.05Å; F876-Y923 HydrophobicContact CD1-CD1 4.06Å; F876-Y923 AromaticContact CD1-CE1 3.79Å; F876-Y923 HydrophobicContact CD1-CE1 3.79Å; F876-Y923 HydrophobicContact CE1-CD1 4.12Å; F876-Y923 HydrophobicContact CE1-CE1 4.32Å; F876-F926 HydrophobicContact CE1-CD1 4.02Å; F876-F926 HydrophobicContact CE1-CE1 4.03Å; F876-F926 HydrophobicContact CZ-CD1 4.01Å; F876-F926 AromaticContact CZ-CE1 3.61Å; F876-F926 HydrophobicContact CZ-CE1 3.61Å; F876-F926 HydrophobicContact CZ-CZ 4.24Å |
| 877 | N | 85.1 | Confident | 85.8 | Confident | 99 Ų | 99 | 56.1 Ų | 56.1 | 53% | 0.529 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.5 | -29.3 | 174.4 | -76.6 | -20.6 | 0 | 0 | 0 | 112.9 | S873 R912 | S873-N877 WeakPolarHBondContact O-CB 3.44Å; S873-N877 VanDerWaalsContact O-CG 3.26Å; S873-N877 PolarHBondContact O-N 3.44Å; S873-N877 PolarHBondContact O-ND2 2.86Å; N877-R912 VanDerWaalsContact OD1-CZ 3.23Å; N877-R912 PolarHBondContact OD1-NH1 3.44Å; N877-R912 PolarHBondContact OD1-NH2 2.98Å |
| 878 | N | 87.3 | Confident | 86.4 | Confident | 71 Ų | 71 | 53.1 Ų | 53.1 | 38% | 0.38 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 8.7 | 178.4 | -68.5 | -74.8 | 0 | 0 | 0 | 113.1 | F874 L875 F876 N883 | F874-N878 WeakPolarHBondContact CD2-ND2 3.36Å; F874-N878 WeakPolarHBondContact CE2-ND2 3.5Å; F874-N878 VanDerWaalsContact CZ-ND2 3.29Å; F874-N878 WeakPolarHBondContact CZ-ND2 3.46Å; F874-N878 WeakPolarHBondContact O-CB 3.29Å; F874-N878 PolarHBondContact O-N 3.4Å; F874-N878 VanDerWaalsContact O-N 3.15Å; F874-N878 PolarHBondContact O-ND2 3.33Å; L875-N878 CarbonylContact O-C 3.53Å; L875-N878 PolarHBondContact O-N 3.09Å; F876-N878 PolarHBondContact O-N 3.01Å; N878-N883 PolarHBondContact O-ND2 3.35Å |
| 879 | L | 89.9 | Confident | 86.5 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 7% | 0.073 | 30% | 0.295 | C | S | . | . | trans | -73.8 | 133.7 | -179.6 | -174.9 | 65 | 0 | 0 | 0 | 109.7 | L875 F876 K887 L922 Y923 F926 | L875-L879 PolarHBondContact O-N 3.31Å; F876-L879 HydrophobicContact CD1-CD2 3.94Å; F876-L879 HydrophobicContact CE1-CD2 4.07Å; F876-L879 WeakPolarHBondContact O-CB 3.29Å; F876-L879 PolarHBondContact O-N 2.94Å; F876-L879 VanDerWaalsContact O-N 3.15Å; L879-K887 HydrophobicContact CD1-CB 3.76Å; L879-K887 HydrophobicContact CD1-CG 4.01Å; L879-L922 HydrophobicContact CB-CD2 4.33Å; L879-L922 HydrophobicContact CD2-CD2 4.22Å; L879-L922 HydrophobicContact CD2-CG 3.93Å; L879-L922 HydrophobicContact CG-CD1 4.2Å; L879-L922 HydrophobicContact CG-CD2 3.94Å; L879-L922 HydrophobicContact CG-CG 3.94Å; L879-L922 WeakPolarHBondContact O-CD2 2.99Å; L879-Y923 HydrophobicContact CD2-CD1 4.04Å; L879-Y923 HydrophobicContact CD2-CE1 4.17Å; L879-F926 HydrophobicContact CD1-CD2 3.56Å; L879-F926 HydrophobicContact CD1-CE2 3.98Å; L879-F926 HydrophobicContact CD1-CG 4.42Å; L879-F926 HydrophobicContact CD2-CB 3.95Å; L879-F926 HydrophobicContact CD2-CD2 3.87Å; L879-F926 HydrophobicContact CD2-CG 3.92Å; L879-F926 HydrophobicContact CG-CD2 4.39Å | ||
| 880 | S | 89.7 | Confident | 86.5 | Confident | 44 Ų | 44 | 57.6 Ų | 57.6 | 31% | 0.308 | 30% | 0.3 | S | S | . | . | trans | -146.4 | 161.7 | 174.8 | 73.5 | 0 | 0 | 0 | 0 | 109.6 | A882 N883 L884 L922 | S880-A882 PolarHBondContact O-N 3.07Å; S880-A882 PolarHBondContact OG-N 3.1Å; S880-N883 WeakPolarHBondContact CA-OD1 3.09Å; S880-N883 PolarHBondContact N-OD1 2.99Å; S880-N883 PolarHBondContact O-N 3.34Å; S880-N883 PolarHBondContact O-OD1 3.31Å; S880-N883 VanDerWaalsContact OG-CG 3.26Å; S880-N883 PolarHBondContact OG-N 3.22Å; S880-N883 PolarHBondContact OG-OD1 2.91Å; S880-L884 PolarHBondContact O-N 3.1Å; S880-L884 VanDerWaalsContact O-N 3.1Å; S880-L922 VanDerWaalsContact C-CD1 3.4Å | ||
| 881 | Q | 86.1 | Confident | 86.7 | Confident | 75 Ų | 75 | 52 Ų | 52 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -20.5 | 177.4 | -164.4 | 67 | 35.3 | 0 | 0 | 112.1 | L922 N925 M2218 | Q881-L922 HydrophobicContact CB-CD1 4.29Å; Q881-L922 VanDerWaalsContact N-CD1 3.34Å; Q881-N925 PolarHBondContact NE2-ND2 2.96Å; Q881-N925 PolarHBondContact OE1-ND2 3.06Å; Q881-M2218 HydrophobicContact CB-CE 3.79Å; Q881-M2218 HydrophobicContact CB-SD 3.64Å; Q881-M2218 HydrophobicContact CG-SD 3.73Å |
| 882 | A | 86.7 | Confident | 86.6 | Confident | 60 Ų | 60 | 51.7 Ų | 51.7 | 50% | 0.496 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -41.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S880 K2215 | S880-A882 PolarHBondContact O-N 3.07Å; S880-A882 PolarHBondContact OG-N 3.1Å; A882-K2215 VanDerWaalsContact CB-CE 3.44Å |
| 883 | N | 88.7 | Confident | 86.1 | Confident | 35 Ų | 35 | 57.5 Ų | 57.5 | 19% | 0.187 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 10.5 | -176.1 | 65 | 0.3 | 0 | 0 | 0 | 112.4 | N878 S880 N885 E886 K887 | N878-N883 PolarHBondContact O-ND2 3.35Å; S880-N883 WeakPolarHBondContact CA-OD1 3.09Å; S880-N883 PolarHBondContact N-OD1 2.99Å; S880-N883 PolarHBondContact O-N 3.34Å; S880-N883 PolarHBondContact O-OD1 3.31Å; S880-N883 VanDerWaalsContact OG-CG 3.26Å; S880-N883 PolarHBondContact OG-N 3.22Å; S880-N883 PolarHBondContact OG-OD1 2.91Å; N883-N885 PolarHBondContact O-N 3.44Å; N883-E886 WeakPolarHBondContact O-CB 3.23Å; N883-E886 PolarHBondContact O-N 3.33Å; N883-E886 VanDerWaalsContact O-N 3.12Å; N883-K887 HydrophobicContact CB-CG 4.47Å; N883-K887 WeakPolarHBondContact O-CG 3.41Å; N883-K887 PolarHBondContact O-N 2.97Å |
| 884 | L | 91 | Very high | 85.6 | Confident | 10 Ų | 10 | 56.6 Ų | 56.6 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -51.5 | -50.4 | -174.5 | -175.8 | 144.1 | 0 | 0 | 0 | 112.8 | S880 E886 K887 V888 L922 N925 F926 A929 | S880-L884 PolarHBondContact O-N 3.1Å; S880-L884 VanDerWaalsContact O-N 3.1Å; L884-E886 PolarHBondContact O-N 3.44Å; L884-K887 PolarHBondContact O-N 3.45Å; L884-V888 HydrophobicContact CD2-CG2 4.12Å; L884-V888 WeakPolarHBondContact O-CB 3.13Å; L884-V888 WeakPolarHBondContact O-CG2 3.18Å; L884-V888 PolarHBondContact O-N 3.4Å; L884-L922 HydrophobicContact CD1-CD1 4.09Å; L884-N925 HydrophobicContact CD1-CB 3.61Å; L884-F926 HydrophobicContact CD1-CB 4.39Å; L884-A929 HydrophobicContact CD2-CB 3.58Å |
| 885 | N | 89.4 | Confident | 84.9 | Confident | 116 Ų | 116 | 50.8 Ų | 50.8 | 62% | 0.62 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65.5 | -39.7 | -179.2 | -66.6 | -22.5 | 0 | 0 | 0 | 112.3 | N883 K887 V888 E889 | N883-N885 PolarHBondContact O-N 3.44Å; N885-K887 VanDerWaalsContact C-N 3.35Å; N885-V888 PolarHBondContact O-N 3.01Å; N885-E889 PolarHBondContact O-N 2.89Å |
| 886 | E | 87.2 | Confident | 83.9 | Confident | 110 Ų | 110 | 58.3 Ų | 58.3 | 51% | 0.514 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 176.4 | -170.7 | -156.6 | 135.9 | 0 | 0 | 111 | N883 L884 E889 Q890 | N883-E886 WeakPolarHBondContact O-CB 3.23Å; N883-E886 PolarHBondContact O-N 3.33Å; N883-E886 VanDerWaalsContact O-N 3.12Å; L884-E886 PolarHBondContact O-N 3.44Å; E886-E889 PolarHBondContact O-N 3.22Å; E886-Q890 WeakPolarHBondContact O-CG 3.38Å; E886-Q890 PolarHBondContact O-N 3.02Å; E886-Q890 PolarHBondContact OE1-NE2 2.88Å |
| 887 | K | 89 | Confident | 83 | Confident | 18 Ų | 18 | 63.6 Ų | 63.6 | 8% | 0.078 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.5 | -32.7 | 176.3 | -65.4 | -42.6 | -166.3 | -169.5 | 0 | 112.5 | L875 L879 N883 L884 N885 Q890 M891 F926 | L875-K887 HydrophobicContact CD2-CB 4.11Å; L875-K887 HydrophobicContact CG-CB 4.24Å; L875-K887 HydrophobicContact CG-CD 4.23Å; L875-K887 HydrophobicContact CG-CG 4.48Å; L879-K887 HydrophobicContact CD1-CB 3.76Å; L879-K887 HydrophobicContact CD1-CG 4.01Å; N883-K887 HydrophobicContact CB-CG 4.47Å; N883-K887 WeakPolarHBondContact O-CG 3.41Å; N883-K887 PolarHBondContact O-N 2.97Å; L884-K887 PolarHBondContact O-N 3.45Å; N885-K887 VanDerWaalsContact C-N 3.35Å; K887-Q890 VanDerWaalsContact CD-OE1 3.25Å; K887-Q890 PolarHBondContact O-N 2.91Å; K887-M891 VanDerWaalsContact O-CB 3.29Å; K887-M891 WeakPolarHBondContact O-CB 3.23Å; K887-M891 PolarHBondContact O-N 3.44Å; K887-F926 HydrophobicContact CB-CE2 4.08Å |
| 888 | V | 88 | Confident | 82 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 173.7 | 166 | 0 | 0 | 0 | 0 | 110.5 | L884 N885 M891 R892 F926 A929 L930 | L884-V888 HydrophobicContact CD2-CG2 4.12Å; L884-V888 WeakPolarHBondContact O-CB 3.13Å; L884-V888 WeakPolarHBondContact O-CG2 3.18Å; L884-V888 PolarHBondContact O-N 3.4Å; N885-V888 PolarHBondContact O-N 3.01Å; V888-M891 PolarHBondContact O-N 3.22Å; V888-R892 WeakPolarHBondContact O-CG 3.43Å; V888-R892 PolarHBondContact O-N 2.97Å; V888-F926 HydrophobicContact CB-CE2 4.49Å; V888-F926 HydrophobicContact CG2-CD2 3.6Å; V888-F926 HydrophobicContact CG2-CE2 3.74Å; V888-F926 HydrophobicContact CG2-CG 4.33Å; V888-A929 HydrophobicContact CG2-CB 3.83Å; V888-L930 HydrophobicContact CG1-CB 4.35Å; V888-L930 HydrophobicContact CG1-CD1 4.16Å |
| 889 | E | 84.1 | Confident | 81.2 | Confident | 98 Ų | 98 | 62.1 Ų | 62.1 | 46% | 0.458 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 175.3 | -62.4 | -54.6 | 149.4 | 0 | 0 | 111.4 | N885 E886 M891 R892 D893 | N885-E889 PolarHBondContact O-N 2.89Å; E886-E889 PolarHBondContact O-N 3.22Å; E889-M891 PolarHBondContact O-N 2.98Å; E889-R892 PolarHBondContact O-N 3.5Å; E889-R892 VanDerWaalsContact O-N 3.14Å; E889-R892 IonicContact OE1-CZ 3.92Å; E889-R892 IonicContact OE1-NH1 3.6Å; E889-R892 PolarHBondContact OE1-NH1 2.9Å; E889-R892 IonicContact OE2-CZ 3.62Å; E889-R892 IonicContact OE2-NH1 2.7Å; E889-R892 PolarHBondContact OE2-NH1 3.43Å; E889-D893 PolarHBondContact O-N 3.18Å |
| 890 | Q | 83.9 | Confident | 80.8 | Confident | 65 Ų | 65 | 62.3 Ų | 62.3 | 30% | 0.304 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58 | -32.1 | 174.6 | -73.1 | 169.5 | 24.5 | 0 | 0 | 112.9 | L875 E886 K887 | L875-Q890 HydrophobicContact CD1-CB 3.96Å; E886-Q890 WeakPolarHBondContact O-CG 3.38Å; E886-Q890 PolarHBondContact O-N 3.02Å; E886-Q890 PolarHBondContact OE1-NE2 2.88Å; K887-Q890 VanDerWaalsContact CD-OE1 3.25Å; K887-Q890 PolarHBondContact O-N 2.91Å |
| 891 | M | 85.3 | Confident | 80.4 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -79.5 | -32.7 | 179.5 | -164.1 | 71.9 | 163.7 | 0 | 0 | 112.8 | I872 L875 F876 K887 V888 E889 D893 V894 I895 L904 F926 L930 | I872-M891 HydrophobicContact CG1-CE 4.33Å; I872-M891 HydrophobicContact CG1-SD 4.47Å; I872-M891 HydrophobicContact CG2-CE 4.24Å; L875-M891 HydrophobicContact CD1-CB 4.05Å; L875-M891 HydrophobicContact CD1-SD 3.86Å; L875-M891 HydrophobicContact CD2-SD 4.14Å; F876-M891 HydrophobicContact CE2-CE 3.58Å; F876-M891 HydrophobicContact CZ-CE 4.13Å; K887-M891 VanDerWaalsContact O-CB 3.29Å; K887-M891 WeakPolarHBondContact O-CB 3.23Å; K887-M891 PolarHBondContact O-N 3.44Å; V888-M891 PolarHBondContact O-N 3.22Å; E889-M891 PolarHBondContact O-N 2.98Å; M891-D893 PolarHBondContact O-N 2.87Å; M891-V894 PolarHBondContact O-N 3.29Å; M891-V894 VanDerWaalsContact O-N 3.1Å; M891-I895 HydrophobicContact CE-CD1 4.28Å; M891-I895 HydrophobicContact CG-CD1 3.56Å; M891-I895 HydrophobicContact CG-CG1 4.1Å; M891-I895 WeakPolarHBondContact O-CG1 3.43Å; M891-I895 PolarHBondContact O-N 3.38Å; M891-L904 HydrophobicContact CE-CD1 3.4Å; M891-L904 HydrophobicContact CE-CD2 3.44Å; M891-L904 VanDerWaalsContact CE-CD2 3.44Å; M891-L904 HydrophobicContact CE-CG 4.05Å; M891-F926 HydrophobicContact CB-CE2 4.45Å; M891-F926 HydrophobicContact CB-CZ 3.68Å; M891-F926 HydrophobicContact CG-CE1 4.13Å; M891-F926 HydrophobicContact CG-CZ 3.68Å; M891-F926 HydrophobicContact SD-CZ 4.35Å; M891-L930 HydrophobicContact CB-CD1 4.42Å |
| 892 | R | 81.4 | Confident | 80.3 | Confident | 92 Ų | 92 | 59.8 Ų | 59.8 | 35% | 0.347 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.1 | -42.5 | 175.9 | -77.7 | 179.1 | 179.3 | 159.4 | 5.5 | 110.5 | V888 E889 V894 I895 F896 L930 | V888-R892 WeakPolarHBondContact O-CG 3.43Å; V888-R892 PolarHBondContact O-N 2.97Å; E889-R892 PolarHBondContact O-N 3.5Å; E889-R892 VanDerWaalsContact O-N 3.14Å; E889-R892 IonicContact OE1-CZ 3.92Å; E889-R892 IonicContact OE1-NH1 3.6Å; E889-R892 PolarHBondContact OE1-NH1 2.9Å; E889-R892 IonicContact OE2-CZ 3.62Å; E889-R892 IonicContact OE2-NH1 2.7Å; E889-R892 PolarHBondContact OE2-NH1 3.43Å; R892-V894 PolarHBondContact O-N 3.32Å; R892-I895 PolarHBondContact O-N 3.44Å; R892-F896 WeakPolarHBondContact O-CD2 3.31Å; R892-F896 PolarHBondContact O-N 3.33Å; R892-L930 HydrophobicContact CG-CD1 3.78Å |
| 893 | D | 73.7 | Confident | 80.3 | Confident | 123 Ų | 123 | 58.4 Ų | 58.4 | 66% | 0.658 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -59.2 | -34.3 | 177.7 | -64.5 | -24.5 | 0 | 0 | 0 | 112.9 | E889 M891 | E889-D893 PolarHBondContact O-N 3.18Å; M891-D893 PolarHBondContact O-N 2.87Å |
| 894 | V | 71.3 | Confident | 80.3 | Confident | 14 Ų | 14 | 56.8 Ų | 56.8 | 9% | 0.085 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -82.7 | -34.4 | -178.7 | 179.9 | 0 | 0 | 0 | 0 | 112.6 | V868 I872 M891 R892 N900 | V868-V894 HydrophobicContact CG1-CG1 3.5Å; I872-V894 HydrophobicContact CD1-CG1 3.91Å; I872-V894 HydrophobicContact CG1-CG1 3.95Å; M891-V894 PolarHBondContact O-N 3.29Å; M891-V894 VanDerWaalsContact O-N 3.1Å; R892-V894 PolarHBondContact O-N 3.32Å; V894-N900 PolarHBondContact O-ND2 3.08Å |
| 895 | I | 70.6 | Confident | 80.2 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -77.3 | -20.7 | -176.9 | -69.2 | 172.9 | 0 | 0 | 0 | 112.4 | M891 R892 H897 L904 L930 F932 L935 | M891-I895 HydrophobicContact CE-CD1 4.28Å; M891-I895 HydrophobicContact CG-CD1 3.56Å; M891-I895 HydrophobicContact CG-CG1 4.1Å; M891-I895 WeakPolarHBondContact O-CG1 3.43Å; M891-I895 PolarHBondContact O-N 3.38Å; R892-I895 PolarHBondContact O-N 3.44Å; I895-H897 CarbonylContact O-C 3.57Å; I895-H897 PolarHBondContact O-N 3.19Å; I895-L904 HydrophobicContact CD1-CD2 3.75Å; I895-L904 HydrophobicContact CG1-CD2 3.78Å; I895-L930 HydrophobicContact CD1-CD1 4.07Å; I895-L930 HydrophobicContact CD1-CD2 3.47Å; I895-L930 VanDerWaalsContact CD1-CD2 3.47Å; I895-L930 HydrophobicContact CD1-CG 4.33Å; I895-F932 HydrophobicContact CG2-CD1 3.98Å; I895-F932 HydrophobicContact CG2-CE1 3.78Å; I895-F932 HydrophobicContact CG2-CE2 4.43Å; I895-F932 HydrophobicContact CG2-CG 4.37Å; I895-F932 HydrophobicContact CG2-CZ 4.03Å; I895-L935 HydrophobicContact CD1-CD2 3.99Å |
| 896 | F | 65.1 | Low | 80.2 | Confident | 163 Ų | 163 | 52 Ų | 52 | 72% | 0.715 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -22.4 | -179.5 | -96.7 | -70.9 | 0 | 0 | 0 | 114 | R892 P898 | R892-F896 WeakPolarHBondContact O-CD2 3.31Å; R892-F896 PolarHBondContact O-N 3.33Å; F896-P898 VanDerWaalsContact O-CD 3.29Å; F896-P898 WeakPolarHBondContact O-CD 3.4Å |
| 897 | H | 69 | Low | 80.3 | Confident | 117 Ų | 117 | 48 Ų | 48 | 54% | 0.542 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -82.8 | 111.6 | 171.7 | -148.4 | -82.3 | 0 | 0 | 0 | 110.7 | I895 S899 N900 | I895-H897 CarbonylContact O-C 3.57Å; I895-H897 PolarHBondContact O-N 3.19Å; H897-S899 PolarHBondContact CE1-OG 3.4Å; H897-S899 PolarHBondContact ND1-OG 3.49Å; H897-S899 PolarHBondContact O-N 3.11Å; H897-N900 PolarHBondContact O-N 2.99Å |
| 898 | P | 65.4 | Low | 80.4 | Confident | 104 Ų | 104 | 47.3 Ų | 47.3 | 68% | 0.675 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -30.4 | -172.4 | -24.6 | 33.9 | 0 | 0 | 0 | 113.9 | F896 N900 T901 | F896-P898 VanDerWaalsContact O-CD 3.29Å; F896-P898 WeakPolarHBondContact O-CD 3.4Å; P898-N900 PolarHBondContact O-N 3.27Å; P898-T901 PolarHBondContact O-N 3.22Å; P898-T901 PolarHBondContact O-OG1 3.39Å |
| 899 | S | 69.9 | Low | 80.7 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 25% | 0.245 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.4 | 179.4 | 64.3 | 0 | 0 | 0 | 0 | 114.2 | H897 | H897-S899 PolarHBondContact CE1-OG 3.4Å; H897-S899 PolarHBondContact ND1-OG 3.49Å; H897-S899 PolarHBondContact O-N 3.11Å |
| 900 | N | 80.4 | Confident | 80.8 | Confident | 19 Ų | 19 | 42.6 Ų | 42.6 | 10% | 0.102 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -84.4 | -18.4 | -174.8 | -62.2 | -12.7 | 0 | 0 | 0 | 112.6 | P864 V894 H897 P898 L904 | P864-N900 HydrophobicContact CG-CB 4.12Å; V894-N900 PolarHBondContact O-ND2 3.08Å; H897-N900 PolarHBondContact O-N 2.99Å; P898-N900 PolarHBondContact O-N 3.27Å; N900-L904 VanDerWaalsContact O-CB 3.29Å; N900-L904 WeakPolarHBondContact O-CB 3.42Å; N900-L904 PolarHBondContact O-N 2.92Å |
| 901 | T | 82.6 | Confident | 80.9 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.025 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.7 | -45.8 | -170.9 | -45.4 | 0 | 0 | 0 | 0 | 113.3 | P898 L904 A905 F932 L935 L938 | P898-T901 PolarHBondContact O-N 3.22Å; P898-T901 PolarHBondContact O-OG1 3.39Å; T901-L904 PolarHBondContact O-N 3.09Å; T901-A905 PolarHBondContact O-N 3.28Å; T901-F932 HydrophobicContact CG2-CE1 4.18Å; T901-L935 HydrophobicContact CG2-CB 3.79Å; T901-L935 HydrophobicContact CG2-CD1 3.75Å; T901-L935 HydrophobicContact CG2-CG 4.36Å; T901-L938 HydrophobicContact CG2-CD1 3.78Å |
| 902 | P | 84.2 | Confident | 81.2 | Confident | 62 Ų | 62 | 43.8 Ų | 43.8 | 40% | 0.403 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.9 | -44.2 | 178.5 | -21.4 | 34.6 | 0 | 0 | 0 | 112.6 | L904 A905 Q906 L938 | P902-L904 VanDerWaalsContact C-N 3.31Å; P902-L904 PolarHBondContact O-N 3.26Å; P902-A905 WeakPolarHBondContact O-CB 3.32Å; P902-A905 PolarHBondContact O-N 2.82Å; P902-Q906 PolarHBondContact O-N 2.98Å; P902-Q906 VanDerWaalsContact O-N 3.1Å; P902-L938 HydrophobicContact CG-CD1 4.31Å |
| 903 | W | 85.9 | Confident | 81.8 | Confident | 30 Ų | 30 | 39.4 Ų | 39.4 | 11% | 0.114 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61 | -41.5 | 176.4 | -179.7 | 88.2 | 0 | 0 | 0 | 111.6 | P864 Q869 I872 A905 Q906 Y907 | P864-W903 VanDerWaalsContact CD-CD2 3.44Å; P864-W903 HydrophobicContact CG-CB 4.15Å; P864-W903 HydrophobicContact CG-CD2 3.78Å; P864-W903 HydrophobicContact CG-CE3 3.67Å; P864-W903 HydrophobicContact CG-CG 3.99Å; P864-W903 HydrophobicContact CG-CZ3 4.39Å; Q869-W903 HydrophobicContact CB-CH2 3.67Å; Q869-W903 HydrophobicContact CB-CZ2 3.95Å; Q869-W903 HydrophobicContact CB-CZ3 4.48Å; Q869-W903 HydrophobicContact CG-CH2 3.6Å; Q869-W903 HydrophobicContact CG-CZ2 3.54Å; Q869-W903 HydrophobicContact CG-CZ3 4.25Å; I872-W903 HydrophobicContact CB-CZ3 4.49Å; I872-W903 HydrophobicContact CD1-CE3 4.3Å; I872-W903 HydrophobicContact CD1-CZ3 3.73Å; I872-W903 HydrophobicContact CG2-CZ3 4.34Å; W903-A905 VanDerWaalsContact C-N 3.33Å; W903-A905 PolarHBondContact O-N 3.1Å; W903-Q906 PolarHBondContact O-N 2.97Å; W903-Y907 HydrophobicContact CH2-CD2 4.11Å; W903-Y907 HydrophobicContact CH2-CG 4.05Å; W903-Y907 HydrophobicContact CZ2-CD2 4.4Å; W903-Y907 HydrophobicContact CZ3-CG 4.23Å; W903-Y907 WeakPolarHBondContact O-CB 3.29Å; W903-Y907 PolarHBondContact O-N 2.63Å |
| 904 | L | 88.1 | Confident | 82.6 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.5 | -40.1 | 176.8 | 174.6 | 64.2 | 0 | 0 | 0 | 112.1 | I872 F876 M891 I895 N900 T901 P902 Y907 L908 L935 | I872-L904 HydrophobicContact CD1-CD1 4.33Å; I872-L904 HydrophobicContact CG2-CD1 3.73Å; F876-L904 HydrophobicContact CE2-CD1 4.21Å; M891-L904 HydrophobicContact CE-CD1 3.4Å; M891-L904 HydrophobicContact CE-CD2 3.44Å; M891-L904 VanDerWaalsContact CE-CD2 3.44Å; M891-L904 HydrophobicContact CE-CG 4.05Å; I895-L904 HydrophobicContact CD1-CD2 3.75Å; I895-L904 HydrophobicContact CG1-CD2 3.78Å; N900-L904 VanDerWaalsContact O-CB 3.29Å; N900-L904 WeakPolarHBondContact O-CB 3.42Å; N900-L904 PolarHBondContact O-N 2.92Å; T901-L904 PolarHBondContact O-N 3.09Å; P902-L904 VanDerWaalsContact C-N 3.31Å; P902-L904 PolarHBondContact O-N 3.26Å; L904-Y907 HydrophobicContact CD1-CD1 4.47Å; L904-L908 HydrophobicContact CD1-CD1 3.95Å; L904-L908 HydrophobicContact CD1-CG 4.09Å; L904-L908 HydrophobicContact CG-CD1 4.03Å; L904-L908 WeakPolarHBondContact O-CB 3.49Å; L904-L908 WeakPolarHBondContact O-CG 3.41Å; L904-L908 PolarHBondContact O-N 3.28Å; L904-L935 HydrophobicContact CB-CD1 4.46Å; L904-L935 HydrophobicContact CD2-CD1 4.03Å; L904-L935 HydrophobicContact CD2-CD2 3.79Å; L904-L935 HydrophobicContact CG-CD1 4.18Å |
| 905 | A | 89.6 | Confident | 83.2 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T901 P902 W903 L908 V909 L935 L938 I939 | T901-A905 PolarHBondContact O-N 3.28Å; P902-A905 WeakPolarHBondContact O-CB 3.32Å; P902-A905 PolarHBondContact O-N 2.82Å; W903-A905 VanDerWaalsContact C-N 3.33Å; W903-A905 PolarHBondContact O-N 3.1Å; A905-L908 PolarHBondContact O-N 3.02Å; A905-V909 WeakPolarHBondContact O-CG2 3.27Å; A905-V909 PolarHBondContact O-N 2.89Å; A905-L935 HydrophobicContact CB-CD1 4.07Å; A905-L938 HydrophobicContact CB-CB 3.8Å; A905-I939 HydrophobicContact CB-CG1 3.82Å |
| 906 | Q | 89.4 | Confident | 84.1 | Confident | 22 Ų | 22 | 39.3 Ų | 39.3 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 175.8 | -169.5 | -170.1 | 35.8 | 0 | 0 | 112.7 | T855 P902 W903 L908 V909 V910 E942 | T855-Q906 PolarHBondContact OG1-NE2 3.06Å; P902-Q906 PolarHBondContact O-N 2.98Å; P902-Q906 VanDerWaalsContact O-N 3.1Å; W903-Q906 PolarHBondContact O-N 2.97Å; Q906-L908 VanDerWaalsContact C-N 3.33Å; Q906-L908 PolarHBondContact O-N 3.44Å; Q906-V909 PolarHBondContact O-N 3.33Å; Q906-V910 HydrophobicContact CG-CG2 4.13Å; Q906-V910 VanDerWaalsContact O-CB 3.32Å; Q906-V910 WeakPolarHBondContact O-CB 3.49Å; Q906-V910 WeakPolarHBondContact O-CG2 3.42Å; Q906-V910 PolarHBondContact O-N 2.71Å; Q906-E942 HydrophobicContact CB-CG 4.19Å; Q906-E942 HydrophobicContact CG-CG 4.46Å |
| 907 | Y | 89.6 | Confident | 85.1 | Confident | 27 Ų | 27 | 34.1 Ų | 34.1 | 11% | 0.106 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.6 | -46.6 | 176.1 | 169.7 | -99.9 | 0 | 0 | 0 | 111.4 | I872 S873 F876 W903 L904 K911 R912 | I872-Y907 HydrophobicContact CG2-CD1 4Å; I872-Y907 HydrophobicContact CG2-CE1 3.81Å; S873-Y907 WeakPolarHBondContact CA-OH 3.46Å; S873-Y907 PolarHBondContact OG-OH 3.28Å; F876-Y907 HydrophobicContact CD2-CE1 4.21Å; W903-Y907 HydrophobicContact CH2-CD2 4.11Å; W903-Y907 HydrophobicContact CH2-CG 4.05Å; W903-Y907 HydrophobicContact CZ2-CD2 4.4Å; W903-Y907 HydrophobicContact CZ3-CG 4.23Å; W903-Y907 WeakPolarHBondContact O-CB 3.29Å; W903-Y907 PolarHBondContact O-N 2.63Å; L904-Y907 HydrophobicContact CD1-CD1 4.47Å; Y907-K911 HydrophobicContact CD2-CB 3.96Å; Y907-K911 HydrophobicContact CD2-CG 4.22Å; Y907-K911 HydrophobicContact CE2-CB 4.04Å; Y907-K911 WeakPolarHBondContact O-CA 3.44Å; Y907-K911 WeakPolarHBondContact O-CB 3.48Å; Y907-K911 PolarHBondContact O-N 3.27Å; Y907-R912 HydrophobicContact CE1-CG 4.12Å; Y907-R912 PolarHBondContact OH-NE 3.25Å; Y907-R912 PolarHBondContact OH-NH2 2.7Å |
| 908 | L | 91.7 | Very high | 86 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63 | -47.2 | 178.8 | -79.8 | 170.4 | 0 | 0 | 0 | 111.8 | F876 L904 A905 Q906 R912 I913 L927 I939 | F876-L908 HydrophobicContact CD1-CD2 3.95Å; F876-L908 HydrophobicContact CD2-CD2 4.09Å; F876-L908 HydrophobicContact CE1-CD2 3.41Å; F876-L908 VanDerWaalsContact CE1-CD2 3.41Å; F876-L908 HydrophobicContact CE2-CD1 4.4Å; F876-L908 HydrophobicContact CE2-CD2 3.56Å; F876-L908 HydrophobicContact CE2-CG 4.25Å; F876-L908 HydrophobicContact CG-CD2 4.27Å; F876-L908 HydrophobicContact CZ-CD1 3.94Å; F876-L908 HydrophobicContact CZ-CD2 3.2Å; F876-L908 HydrophobicContact CZ-CG 4.05Å; L904-L908 HydrophobicContact CD1-CD1 3.95Å; L904-L908 HydrophobicContact CD1-CG 4.09Å; L904-L908 HydrophobicContact CG-CD1 4.03Å; L904-L908 WeakPolarHBondContact O-CB 3.49Å; L904-L908 WeakPolarHBondContact O-CG 3.41Å; L904-L908 PolarHBondContact O-N 3.28Å; A905-L908 PolarHBondContact O-N 3.02Å; Q906-L908 VanDerWaalsContact C-N 3.33Å; Q906-L908 PolarHBondContact O-N 3.44Å; L908-R912 CarbonylContact O-C 3.6Å; L908-R912 WeakPolarHBondContact O-CB 3.38Å; L908-R912 PolarHBondContact O-N 3.35Å; L908-I913 HydrophobicContact CB-CD1 4.02Å; L908-I913 WeakPolarHBondContact O-CB 3.33Å; L908-I913 WeakPolarHBondContact O-CD1 3.35Å; L908-I913 VanDerWaalsContact O-CG1 3.31Å; L908-I913 WeakPolarHBondContact O-CG1 3.45Å; L908-I913 PolarHBondContact O-N 2.98Å; L908-L927 HydrophobicContact CD1-CD2 4.37Å; L908-I939 HydrophobicContact CD1-CD1 3.89Å |
| 909 | V | 92.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -69.5 | -50.8 | -176.8 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | A905 Q906 I913 S914 I939 E942 L969 | A905-V909 WeakPolarHBondContact O-CG2 3.27Å; A905-V909 PolarHBondContact O-N 2.89Å; Q906-V909 PolarHBondContact O-N 3.33Å; V909-I913 HydrophobicContact CG2-CD1 4.18Å; V909-S914 VanDerWaalsContact O-CB 3.27Å; V909-S914 WeakPolarHBondContact O-CB 3.31Å; V909-S914 PolarHBondContact O-N 3.44Å; V909-S914 PolarHBondContact O-OG 2.6Å; V909-I939 HydrophobicContact CG2-CG2 4.05Å; V909-E942 HydrophobicContact CB-CB 4.47Å; V909-E942 HydrophobicContact CB-CG 4.09Å; V909-E942 HydrophobicContact CG1-CG 4.44Å; V909-E942 HydrophobicContact CG2-CB 4.12Å; V909-E942 HydrophobicContact CG2-CG 4.25Å; V909-L969 HydrophobicContact CG1-CD2 3.9Å |
| 910 | V | 86.6 | Confident | 88.3 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -82.9 | -36.4 | -169.2 | -178.9 | 0 | 0 | 0 | 0 | 112.8 | T848 V852 Q906 S914 | T848-V910 HydrophobicContact CG2-CG1 4Å; V852-V910 HydrophobicContact CG2-CG1 4.07Å; Q906-V910 HydrophobicContact CG-CG2 4.13Å; Q906-V910 VanDerWaalsContact O-CB 3.32Å; Q906-V910 WeakPolarHBondContact O-CB 3.49Å; Q906-V910 WeakPolarHBondContact O-CG2 3.42Å; Q906-V910 PolarHBondContact O-N 2.71Å; V910-S914 PolarHBondContact O-OG 2.88Å |
| 911 | K | 86.9 | Confident | 88.8 | Confident | 66 Ų | 66 | 34.9 Ų | 34.9 | 29% | 0.287 | 17% | 0.174 | S | C | . | . | I | π-helix | trans | -104.9 | -7.3 | -174.4 | -63 | -71.2 | -174.7 | 178 | 0 | 114.3 | T848 Y907 | T848-K911 PolarHBondContact OG1-NZ 3.08Å; Y907-K911 HydrophobicContact CD2-CB 3.96Å; Y907-K911 HydrophobicContact CD2-CG 4.22Å; Y907-K911 HydrophobicContact CE2-CB 4.04Å; Y907-K911 WeakPolarHBondContact O-CA 3.44Å; Y907-K911 WeakPolarHBondContact O-CB 3.48Å; Y907-K911 PolarHBondContact O-N 3.27Å |
| 912 | R | 92 | Very high | 89.2 | Confident | 24 Ų | 24 | 35.1 Ų | 35.1 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -127.9 | -68.9 | 179.3 | -59.6 | -65 | 178.7 | 164.3 | 5.4 | 112.8 | S873 N877 Y907 L908 S914 L915 E916 Y923 | S873-R912 PolarHBondContact OG-NH2 3.09Å; N877-R912 VanDerWaalsContact OD1-CZ 3.23Å; N877-R912 PolarHBondContact OD1-NH1 3.44Å; N877-R912 PolarHBondContact OD1-NH2 2.98Å; Y907-R912 HydrophobicContact CE1-CG 4.12Å; Y907-R912 PolarHBondContact OH-NE 3.25Å; Y907-R912 PolarHBondContact OH-NH2 2.7Å; L908-R912 CarbonylContact O-C 3.6Å; L908-R912 WeakPolarHBondContact O-CB 3.38Å; L908-R912 PolarHBondContact O-N 3.35Å; R912-S914 PolarHBondContact O-N 3.42Å; R912-L915 PolarHBondContact O-N 3.1Å; R912-E916 WeakPolarHBondContact CD-OE1 3.36Å; R912-E916 IonicContact CZ-OE1 3.02Å; R912-E916 IonicContact NH1-OE1 3.77Å; R912-E916 PolarHBondContact NH1-OE1 3.13Å; R912-E916 VanDerWaalsContact O-CB 3.28Å; R912-E916 WeakPolarHBondContact O-CB 3.35Å; R912-E916 PolarHBondContact O-N 3.37Å; R912-Y923 HydrophobicContact CB-CE2 4.28Å |
| 913 | I | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -59.6 | -43.6 | -172.8 | -67.9 | 159.5 | 0 | 0 | 0 | 111.5 | L908 V909 L915 H920 Y923 I939 W972 | L908-I913 HydrophobicContact CB-CD1 4.02Å; L908-I913 WeakPolarHBondContact O-CB 3.33Å; L908-I913 WeakPolarHBondContact O-CD1 3.35Å; L908-I913 VanDerWaalsContact O-CG1 3.31Å; L908-I913 WeakPolarHBondContact O-CG1 3.45Å; L908-I913 PolarHBondContact O-N 2.98Å; V909-I913 HydrophobicContact CG2-CD1 4.18Å; I913-L915 PolarHBondContact O-N 3.25Å; I913-H920 PolarHBondContact O-NE2 3.42Å; I913-Y923 HydrophobicContact CG1-CD2 4.23Å; I913-I939 HydrophobicContact CD1-CG2 4.47Å; I913-W972 HydrophobicContact CD1-CD2 4.09Å; I913-W972 VanDerWaalsContact CD1-CE2 3.45Å; I913-W972 HydrophobicContact CD1-CH2 4.21Å; I913-W972 HydrophobicContact CD1-CZ2 3.52Å; I913-W972 HydrophobicContact CG1-CD2 4.19Å; I913-W972 HydrophobicContact CG1-CE3 4.46Å; I913-W972 HydrophobicContact CG1-CH2 4.47Å; I913-W972 HydrophobicContact CG1-CZ2 4.19Å; I913-W972 HydrophobicContact CG2-CB 3.56Å; I913-W972 HydrophobicContact CG2-CD2 3.55Å; I913-W972 HydrophobicContact CG2-CE3 4.13Å; I913-W972 HydrophobicContact CG2-CG 3.25Å |
| 914 | S | 89.8 | Confident | 90.1 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.028 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -27.5 | 178 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | V909 V910 R912 L965 N968 | V909-S914 VanDerWaalsContact O-CB 3.27Å; V909-S914 WeakPolarHBondContact O-CB 3.31Å; V909-S914 PolarHBondContact O-N 3.44Å; V909-S914 PolarHBondContact O-OG 2.6Å; V910-S914 PolarHBondContact O-OG 2.88Å; R912-S914 PolarHBondContact O-N 3.42Å; S914-L965 VanDerWaalsContact O-CD2 3.27Å; S914-L965 WeakPolarHBondContact O-CD2 3.38Å; S914-N968 WeakPolarHBondContact O-CB 3.48Å; S914-N968 PolarHBondContact O-ND2 3.27Å |
| 915 | L | 85.2 | Confident | 90.2 | Very high | 93 Ų | 93 | 34.9 Ų | 34.9 | 49% | 0.487 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -29.1 | -172.9 | -60 | 177.6 | 0 | 0 | 0 | 113.2 | R912 I913 L965 | R912-L915 PolarHBondContact O-N 3.1Å; I913-L915 PolarHBondContact O-N 3.25Å; L915-L965 HydrophobicContact CD2-CD2 3.63Å |
| 916 | E | 88 | Confident | 90.4 | Very high | 46 Ų | 46 | 34.9 Ų | 34.9 | 22% | 0.215 | 17% | 0.171 | C | C | . | . | trans | -121.6 | 63 | -161 | -61.5 | 177.5 | -168.1 | 0 | 0 | 113.6 | R912 N918 F919 H920 Y923 | R912-E916 WeakPolarHBondContact CD-OE1 3.36Å; R912-E916 IonicContact CZ-OE1 3.02Å; R912-E916 IonicContact NH1-OE1 3.77Å; R912-E916 PolarHBondContact NH1-OE1 3.13Å; R912-E916 VanDerWaalsContact O-CB 3.28Å; R912-E916 WeakPolarHBondContact O-CB 3.35Å; R912-E916 PolarHBondContact O-N 3.37Å; E916-N918 VanDerWaalsContact C-N 3.25Å; E916-N918 PolarHBondContact O-N 2.72Å; E916-N918 VanDerWaalsContact O-N 3.09Å; E916-F919 HydrophobicContact CB-CD2 4.03Å; E916-F919 PolarHBondContact O-N 3.42Å; E916-H920 PolarHBondContact O-CD2 3.26Å; E916-Y923 HydrophobicContact CB-CE2 4.3Å; E916-Y923 PolarHBondContact OE2-OH 2.76Å | ||
| 917 | L | 87.4 | Confident | 90.5 | Very high | 54 Ų | 54 | 34 Ų | 34 | 28% | 0.283 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -48.7 | -41.4 | -176.5 | -177.3 | 62.1 | 0 | 0 | 0 | 114.5 | F919 H920 N968 H971 | L917-F919 PolarHBondContact O-N 2.67Å; L917-H920 WeakPolarHBondContact O-CB 3.33Å; L917-H920 PolarHBondContact O-CD2 3.41Å; L917-H920 PolarHBondContact O-N 3.09Å; L917-N968 WeakPolarHBondContact CB-OD1 3.41Å; L917-H971 HydrophobicContact CD1-CB 4Å; L917-H971 WeakPolarHBondContact CD1-ND1 3.38Å |
| 918 | N | 86.7 | Confident | 90.4 | Very high | 97 Ų | 97 | 35.5 Ų | 35.5 | 52% | 0.519 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -65.9 | -23.8 | -175.5 | -69.2 | -32.1 | 0 | 0 | 0 | 112.9 | E916 K2225 | E916-N918 VanDerWaalsContact C-N 3.25Å; E916-N918 PolarHBondContact O-N 2.72Å; E916-N918 VanDerWaalsContact O-N 3.09Å; N918-K2225 WeakPolarHBondContact OD1-CD 3.28Å |
| 919 | F | 90 | Very high | 90.2 | Very high | 101 Ų | 101 | 36.9 Ų | 36.9 | 44% | 0.443 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -92.2 | 1.5 | 178.4 | -64.8 | -60.4 | 0 | 0 | 0 | 113.6 | E916 L917 N921 L922 Y923 | E916-F919 HydrophobicContact CB-CD2 4.03Å; E916-F919 PolarHBondContact O-N 3.42Å; L917-F919 PolarHBondContact O-N 2.67Å; F919-N921 PolarHBondContact O-N 2.95Å; F919-N921 VanDerWaalsContact O-N 3.14Å; F919-L922 HydrophobicContact CD1-CD2 4.01Å; F919-L922 CarbonylContact O-C 3.42Å; F919-L922 WeakPolarHBondContact O-CA 3.29Å; F919-L922 WeakPolarHBondContact O-CB 3.3Å; F919-L922 PolarHBondContact O-N 3.39Å; F919-Y923 HydrophobicContact CB-CD2 3.96Å; F919-Y923 HydrophobicContact CB-CE1 4.07Å; F919-Y923 HydrophobicContact CB-CE2 3.4Å; F919-Y923 VanDerWaalsContact CB-CZ 3.46Å; F919-Y923 HydrophobicContact CG-CE2 4.5Å; F919-Y923 WeakPolarHBondContact O-CD2 3.29Å; F919-Y923 PolarHBondContact O-N 2.98Å |
| 920 | H | 94.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.9 | -33 | 178.4 | -75 | -155.2 | 0 | 0 | 0 | 113.2 | I913 E916 L917 F924 N968 H971 W972 K975 | I913-H920 PolarHBondContact O-NE2 3.42Å; E916-H920 PolarHBondContact O-CD2 3.26Å; L917-H920 WeakPolarHBondContact O-CB 3.33Å; L917-H920 PolarHBondContact O-CD2 3.41Å; L917-H920 PolarHBondContact O-N 3.09Å; H920-F924 WeakPolarHBondContact O-CB 3.49Å; H920-F924 PolarHBondContact O-N 3.05Å; H920-N968 PolarHBondContact CE1-O 3.13Å; H920-H971 AromaticContact CG-ND1 3.84Å; H920-H971 AromaticContact ND1-ND1 3.16Å; H920-H971 PolarHBondContact ND1-ND1 3.41Å; H920-H971 VanDerWaalsContact ND1-ND1 3.16Å; H920-W972 HydrophobicContact CB-CE3 4.02Å; H920-W972 HydrophobicContact CB-CZ3 4.27Å; H920-W972 AromaticContact CG-CE3 3.82Å; H920-W972 AromaticContact ND1-CE3 3.86Å; H920-W972 WeakPolarHBondContact O-CZ3 3.1Å; H920-K975 PolarHBondContact O-NZ 3Å |
| 921 | N | 90.6 | Very high | 89.8 | Confident | 92 Ų | 92 | 42.8 Ų | 42.8 | 49% | 0.492 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.9 | -45.3 | 171.4 | -77.2 | -48.7 | 0 | 0 | 0 | 112 | F919 N925 K975 | F919-N921 PolarHBondContact O-N 2.95Å; F919-N921 VanDerWaalsContact O-N 3.14Å; N921-N925 VanDerWaalsContact O-CB 3.32Å; N921-N925 WeakPolarHBondContact O-CB 3.21Å; N921-N925 PolarHBondContact O-N 3.08Å; N921-N925 PolarHBondContact O-ND2 3.11Å; N921-N925 PolarHBondContact O-OD1 2.69Å; N921-K975 PolarHBondContact OD1-NZ 3.24Å |
| 922 | L | 91.3 | Very high | 89.8 | Confident | 10 Ų | 10 | 43.5 Ų | 43.5 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.4 | -45.4 | -179.5 | -176.5 | 63 | 0 | 0 | 0 | 111.7 | L879 S880 Q881 L884 F919 N925 F926 | L879-L922 HydrophobicContact CB-CD2 4.33Å; L879-L922 HydrophobicContact CD2-CD2 4.22Å; L879-L922 HydrophobicContact CD2-CG 3.93Å; L879-L922 HydrophobicContact CG-CD1 4.2Å; L879-L922 HydrophobicContact CG-CD2 3.94Å; L879-L922 HydrophobicContact CG-CG 3.94Å; L879-L922 WeakPolarHBondContact O-CD2 2.99Å; S880-L922 VanDerWaalsContact C-CD1 3.4Å; Q881-L922 HydrophobicContact CB-CD1 4.29Å; Q881-L922 VanDerWaalsContact N-CD1 3.34Å; L884-L922 HydrophobicContact CD1-CD1 4.09Å; F919-L922 HydrophobicContact CD1-CD2 4.01Å; F919-L922 CarbonylContact O-C 3.42Å; F919-L922 WeakPolarHBondContact O-CA 3.29Å; F919-L922 WeakPolarHBondContact O-CB 3.3Å; F919-L922 PolarHBondContact O-N 3.39Å; L922-N925 PolarHBondContact O-N 3.46Å; L922-F926 WeakPolarHBondContact O-CB 3.47Å; L922-F926 PolarHBondContact O-N 3.08Å |
| 923 | Y | 94.4 | Very high | 89.2 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 177.4 | -59.8 | -29.9 | 0 | 0 | 0 | 112.4 | F876 L879 R912 I913 E916 F919 F926 L927 | F876-Y923 HydrophobicContact CD1-CD1 4.06Å; F876-Y923 AromaticContact CD1-CE1 3.79Å; F876-Y923 HydrophobicContact CD1-CE1 3.79Å; F876-Y923 HydrophobicContact CE1-CD1 4.12Å; F876-Y923 HydrophobicContact CE1-CE1 4.32Å; L879-Y923 HydrophobicContact CD2-CD1 4.04Å; L879-Y923 HydrophobicContact CD2-CE1 4.17Å; R912-Y923 HydrophobicContact CB-CE2 4.28Å; I913-Y923 HydrophobicContact CG1-CD2 4.23Å; E916-Y923 HydrophobicContact CB-CE2 4.3Å; E916-Y923 PolarHBondContact OE2-OH 2.76Å; F919-Y923 HydrophobicContact CB-CD2 3.96Å; F919-Y923 HydrophobicContact CB-CE1 4.07Å; F919-Y923 HydrophobicContact CB-CE2 3.4Å; F919-Y923 VanDerWaalsContact CB-CZ 3.46Å; F919-Y923 HydrophobicContact CG-CE2 4.5Å; F919-Y923 WeakPolarHBondContact O-CD2 3.29Å; F919-Y923 PolarHBondContact O-N 2.98Å; Y923-F926 PolarHBondContact O-N 2.64Å; Y923-L927 WeakPolarHBondContact O-CG 3.48Å; Y923-L927 PolarHBondContact O-N 3.31Å |
| 924 | F | 93 | Very high | 88.8 | Confident | 28 Ų | 28 | 55.1 Ų | 55.1 | 12% | 0.123 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 174.7 | 178.4 | -94.2 | 0 | 0 | 0 | 111.9 | H920 F926 L927 T928 W972 K975 M976 K980 | H920-F924 WeakPolarHBondContact O-CB 3.49Å; H920-F924 PolarHBondContact O-N 3.05Å; F924-F926 VanDerWaalsContact C-N 3.3Å; F924-F926 PolarHBondContact O-N 3.37Å; F924-L927 PolarHBondContact O-N 3.31Å; F924-T928 WeakPolarHBondContact O-CB 3.45Å; F924-T928 PolarHBondContact O-N 3.21Å; F924-T928 PolarHBondContact O-OG1 3.23Å; F924-W972 HydrophobicContact CB-CH2 4.29Å; F924-W972 HydrophobicContact CB-CZ3 4.06Å; F924-K975 HydrophobicContact CB-CD 4.07Å; F924-K975 HydrophobicContact CD2-CD 4.02Å; F924-K975 HydrophobicContact CD2-CG 3.79Å; F924-K975 HydrophobicContact CE2-CG 3.93Å; F924-K975 VanDerWaalsContact CE2-O 3.29Å; F924-K975 WeakPolarHBondContact CE2-O 3.46Å; F924-K975 HydrophobicContact CG-CD 4.01Å; F924-K975 HydrophobicContact CG-CG 4.22Å; F924-K975 HydrophobicContact CZ-CG 4.47Å; F924-M976 HydrophobicContact CD2-CG 4.43Å; F924-M976 HydrophobicContact CD2-SD 3.68Å; F924-M976 HydrophobicContact CE2-SD 4.07Å; F924-K980 HydrophobicContact CE2-CD 3.96Å; F924-K980 HydrophobicContact CE2-CG 3.99Å; F924-K980 HydrophobicContact CZ-CD 4.11Å; F924-K980 HydrophobicContact CZ-CG 3.86Å |
| 925 | N | 92 | Very high | 88.7 | Confident | 54 Ų | 54 | 55 Ų | 55 | 29% | 0.289 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.8 | -40 | 176.8 | -69.8 | -16.7 | 0 | 0 | 0 | 111.1 | Q881 L884 N921 L922 T928 A929 | Q881-N925 PolarHBondContact NE2-ND2 2.96Å; Q881-N925 PolarHBondContact OE1-ND2 3.06Å; L884-N925 HydrophobicContact CD1-CB 3.61Å; N921-N925 VanDerWaalsContact O-CB 3.32Å; N921-N925 WeakPolarHBondContact O-CB 3.21Å; N921-N925 PolarHBondContact O-N 3.08Å; N921-N925 PolarHBondContact O-ND2 3.11Å; N921-N925 PolarHBondContact O-OD1 2.69Å; L922-N925 PolarHBondContact O-N 3.46Å; N925-T928 PolarHBondContact O-N 3Å; N925-A929 VanDerWaalsContact O-CB 3.29Å; N925-A929 WeakPolarHBondContact O-CB 3.24Å; N925-A929 PolarHBondContact O-N 2.95Å |
| 926 | F | 93 | Very high | 88.9 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.9 | -50 | 177.6 | 179 | -94 | 0 | 0 | 0 | 111.7 | L875 F876 L879 L884 K887 V888 M891 L922 Y923 F924 T928 A929 L930 | L875-F926 HydrophobicContact CD2-CE2 3.92Å; L875-F926 HydrophobicContact CD2-CZ 3.78Å; F876-F926 HydrophobicContact CE1-CD1 4.02Å; F876-F926 HydrophobicContact CE1-CE1 4.03Å; F876-F926 HydrophobicContact CZ-CD1 4.01Å; F876-F926 AromaticContact CZ-CE1 3.61Å; F876-F926 HydrophobicContact CZ-CE1 3.61Å; F876-F926 HydrophobicContact CZ-CZ 4.24Å; L879-F926 HydrophobicContact CD1-CD2 3.56Å; L879-F926 HydrophobicContact CD1-CE2 3.98Å; L879-F926 HydrophobicContact CD1-CG 4.42Å; L879-F926 HydrophobicContact CD2-CB 3.95Å; L879-F926 HydrophobicContact CD2-CD2 3.87Å; L879-F926 HydrophobicContact CD2-CG 3.92Å; L879-F926 HydrophobicContact CG-CD2 4.39Å; L884-F926 HydrophobicContact CD1-CB 4.39Å; K887-F926 HydrophobicContact CB-CE2 4.08Å; V888-F926 HydrophobicContact CB-CE2 4.49Å; V888-F926 HydrophobicContact CG2-CD2 3.6Å; V888-F926 HydrophobicContact CG2-CE2 3.74Å; V888-F926 HydrophobicContact CG2-CG 4.33Å; M891-F926 HydrophobicContact CB-CE2 4.45Å; M891-F926 HydrophobicContact CB-CZ 3.68Å; M891-F926 HydrophobicContact CG-CE1 4.13Å; M891-F926 HydrophobicContact CG-CZ 3.68Å; M891-F926 HydrophobicContact SD-CZ 4.35Å; L922-F926 WeakPolarHBondContact O-CB 3.47Å; L922-F926 PolarHBondContact O-N 3.08Å; Y923-F926 PolarHBondContact O-N 2.64Å; F924-F926 VanDerWaalsContact C-N 3.3Å; F924-F926 PolarHBondContact O-N 3.37Å; F926-T928 VanDerWaalsContact C-N 3.3Å; F926-T928 PolarHBondContact O-N 2.84Å; F926-A929 PolarHBondContact O-N 3.03Å; F926-L930 VanDerWaalsContact O-CB 3.29Å; F926-L930 WeakPolarHBondContact O-CB 3.38Å; F926-L930 PolarHBondContact O-N 3.2Å |
| 927 | L | 91.2 | Very high | 88.9 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.1 | -34.3 | 177.7 | -68.7 | 174.7 | 0 | 0 | 0 | 112.7 | L908 Y923 F924 N931 L935 I939 W972 M976 | L908-L927 HydrophobicContact CD1-CD2 4.37Å; Y923-L927 WeakPolarHBondContact O-CG 3.48Å; Y923-L927 PolarHBondContact O-N 3.31Å; F924-L927 PolarHBondContact O-N 3.31Å; L927-N931 PolarHBondContact O-N 3.33Å; L927-L935 HydrophobicContact CD2-CD2 4.06Å; L927-I939 HydrophobicContact CD1-CD1 3.59Å; L927-I939 HydrophobicContact CD2-CD1 3.53Å; L927-I939 HydrophobicContact CG-CD1 4.23Å; L927-W972 HydrophobicContact CD1-CH2 3.73Å; L927-W972 HydrophobicContact CD1-CZ2 3.49Å; L927-W972 VanDerWaalsContact CD1-CZ2 3.49Å; L927-M976 HydrophobicContact CD1-CE 3.72Å; L927-M976 HydrophobicContact CD1-SD 4.37Å |
| 928 | T | 88 | Confident | 89 | Confident | 60 Ų | 60 | 55.4 Ų | 55.4 | 37% | 0.368 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70 | -40 | 176.1 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | F924 N925 F926 N931 K980 | F924-T928 WeakPolarHBondContact O-CB 3.45Å; F924-T928 PolarHBondContact O-N 3.21Å; F924-T928 PolarHBondContact O-OG1 3.23Å; N925-T928 PolarHBondContact O-N 3Å; F926-T928 VanDerWaalsContact C-N 3.3Å; F926-T928 PolarHBondContact O-N 2.84Å; T928-N931 PolarHBondContact O-N 2.89Å; T928-K980 PolarHBondContact OG1-NZ 3.48Å |
| 929 | A | 87.3 | Confident | 89.3 | Confident | 32 Ų | 32 | 50.8 Ų | 50.8 | 26% | 0.264 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -71.3 | -34.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L884 V888 N925 F926 N931 | L884-A929 HydrophobicContact CD2-CB 3.58Å; V888-A929 HydrophobicContact CG2-CB 3.83Å; N925-A929 VanDerWaalsContact O-CB 3.29Å; N925-A929 WeakPolarHBondContact O-CB 3.24Å; N925-A929 PolarHBondContact O-N 2.95Å; F926-A929 PolarHBondContact O-N 3.03Å; A929-N931 VanDerWaalsContact C-N 3.28Å; A929-N931 PolarHBondContact O-N 3.16Å |
| 930 | L | 87.1 | Confident | 89.3 | Confident | 10 Ų | 10 | 47.6 Ų | 47.6 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.9 | -36.2 | 172.5 | -174 | 72.1 | 0 | 0 | 0 | 111.3 | V888 M891 R892 I895 F926 F932 L935 | V888-L930 HydrophobicContact CG1-CB 4.35Å; V888-L930 HydrophobicContact CG1-CD1 4.16Å; M891-L930 HydrophobicContact CB-CD1 4.42Å; R892-L930 HydrophobicContact CG-CD1 3.78Å; I895-L930 HydrophobicContact CD1-CD1 4.07Å; I895-L930 HydrophobicContact CD1-CD2 3.47Å; I895-L930 VanDerWaalsContact CD1-CD2 3.47Å; I895-L930 HydrophobicContact CD1-CG 4.33Å; F926-L930 VanDerWaalsContact O-CB 3.29Å; F926-L930 WeakPolarHBondContact O-CB 3.38Å; F926-L930 PolarHBondContact O-N 3.2Å; L930-F932 HydrophobicContact CD2-CB 4.18Å; L930-F932 HydrophobicContact CG-CB 4.11Å; L930-F932 PolarHBondContact O-N 2.98Å; L930-L935 HydrophobicContact CD2-CD2 3.7Å |
| 931 | N | 84.4 | Confident | 89.1 | Confident | 116 Ų | 116 | 50.7 Ų | 50.7 | 62% | 0.62 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 35.3 | 175.3 | -163.7 | 20.8 | 0 | 0 | 0 | 114.3 | L927 T928 A929 K933 | L927-N931 PolarHBondContact O-N 3.33Å; T928-N931 PolarHBondContact O-N 2.89Å; A929-N931 VanDerWaalsContact C-N 3.28Å; A929-N931 PolarHBondContact O-N 3.16Å; N931-K933 PolarHBondContact O-N 2.86Å |
| 932 | F | 85.7 | Confident | 89.2 | Confident | 81 Ų | 81 | 47.2 Ų | 47.2 | 36% | 0.355 | 24% | 0.237 | S | C | . | . | trans | -95 | 97.6 | -178.6 | -162.4 | -107.3 | 0 | 0 | 0 | 110.8 | I895 T901 L930 N934 L935 N936 | I895-F932 HydrophobicContact CG2-CD1 3.98Å; I895-F932 HydrophobicContact CG2-CE1 3.78Å; I895-F932 HydrophobicContact CG2-CE2 4.43Å; I895-F932 HydrophobicContact CG2-CG 4.37Å; I895-F932 HydrophobicContact CG2-CZ 4.03Å; T901-F932 HydrophobicContact CG2-CE1 4.18Å; L930-F932 HydrophobicContact CD2-CB 4.18Å; L930-F932 HydrophobicContact CG-CB 4.11Å; L930-F932 PolarHBondContact O-N 2.98Å; F932-N934 VanDerWaalsContact C-N 3.32Å; F932-N934 HydrophobicContact CD1-CB 4.33Å; F932-N934 HydrophobicContact CE1-CB 3.96Å; F932-N934 PolarHBondContact O-N 3.36Å; F932-L935 HydrophobicContact CB-CB 4.39Å; F932-L935 HydrophobicContact CD1-CB 3.57Å; F932-L935 HydrophobicContact CE1-CB 4.39Å; F932-L935 HydrophobicContact CG-CB 4.46Å; F932-L935 PolarHBondContact O-N 3.26Å; F932-N936 PolarHBondContact O-N 3.04Å; F932-N936 VanDerWaalsContact O-N 3.09Å; F932-N936 PolarHBondContact O-ND2 3.3Å | ||
| 933 | K | 81 | Confident | 89.4 | Confident | 176 Ų | 176 | 46.8 Ų | 46.8 | 77% | 0.765 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -54.7 | -41.6 | -171.9 | -67.8 | -175 | 179.4 | -178.4 | 0 | 113.9 | N931 N936 K937 | N931-K933 PolarHBondContact O-N 2.86Å; K933-N936 PolarHBondContact O-N 2.78Å; K933-K937 PolarHBondContact O-N 2.97Å; K933-K937 VanDerWaalsContact O-N 3.07Å |
| 934 | N | 84.2 | Confident | 89.3 | Confident | 93 Ų | 93 | 47.3 Ų | 47.3 | 50% | 0.497 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.3 | -43.7 | -178.3 | -166.7 | 25.7 | 0 | 0 | 0 | 112.2 | F932 K937 L938 | F932-N934 VanDerWaalsContact C-N 3.32Å; F932-N934 HydrophobicContact CD1-CB 4.33Å; F932-N934 HydrophobicContact CE1-CB 3.96Å; F932-N934 PolarHBondContact O-N 3.36Å; N934-K937 PolarHBondContact O-N 3.06Å; N934-L938 WeakPolarHBondContact O-CG 3.33Å; N934-L938 PolarHBondContact O-N 3.39Å; N934-L938 VanDerWaalsContact O-N 3.07Å |
| 935 | L | 87.4 | Confident | 89.2 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.1 | -40.8 | 175.3 | 176.9 | 65.7 | 0 | 0 | 0 | 111.5 | I895 T901 L904 A905 L927 L930 F932 K937 L938 I939 | I895-L935 HydrophobicContact CD1-CD2 3.99Å; T901-L935 HydrophobicContact CG2-CB 3.79Å; T901-L935 HydrophobicContact CG2-CD1 3.75Å; T901-L935 HydrophobicContact CG2-CG 4.36Å; L904-L935 HydrophobicContact CB-CD1 4.46Å; L904-L935 HydrophobicContact CD2-CD1 4.03Å; L904-L935 HydrophobicContact CD2-CD2 3.79Å; L904-L935 HydrophobicContact CG-CD1 4.18Å; A905-L935 HydrophobicContact CB-CD1 4.07Å; L927-L935 HydrophobicContact CD2-CD2 4.06Å; L930-L935 HydrophobicContact CD2-CD2 3.7Å; F932-L935 HydrophobicContact CB-CB 4.39Å; F932-L935 HydrophobicContact CD1-CB 3.57Å; F932-L935 HydrophobicContact CE1-CB 4.39Å; F932-L935 HydrophobicContact CG-CB 4.46Å; F932-L935 PolarHBondContact O-N 3.26Å; L935-K937 VanDerWaalsContact C-N 3.29Å; L935-K937 PolarHBondContact O-N 3.34Å; L935-L938 PolarHBondContact O-N 3Å; L935-I939 HydrophobicContact CD1-CD1 3.95Å; L935-I939 HydrophobicContact CD1-CG1 4.03Å; L935-I939 HydrophobicContact CD2-CD1 4.27Å; L935-I939 HydrophobicContact CG-CD1 3.7Å; L935-I939 HydrophobicContact CG-CG1 4.21Å; L935-I939 WeakPolarHBondContact O-CB 3.41Å; L935-I939 VanDerWaalsContact O-CG1 3.3Å; L935-I939 WeakPolarHBondContact O-CG1 3.34Å; L935-I939 PolarHBondContact O-N 3.29Å |
| 936 | N | 88.7 | Confident | 89 | Confident | 24 Ų | 24 | 47.5 Ų | 47.5 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.5 | -40.5 | 177.6 | -76.2 | -39.4 | 0 | 0 | 0 | 111.9 | F932 K933 I939 I940 | F932-N936 PolarHBondContact O-N 3.04Å; F932-N936 VanDerWaalsContact O-N 3.09Å; F932-N936 PolarHBondContact O-ND2 3.3Å; K933-N936 PolarHBondContact O-N 2.78Å; N936-I939 PolarHBondContact O-N 3.32Å; N936-I940 WeakPolarHBondContact O-CG1 3.48Å; N936-I940 PolarHBondContact O-N 3.33Å; N936-I940 VanDerWaalsContact O-N 3.11Å |
| 937 | K | 88.6 | Confident | 89 | Confident | 133 Ų | 133 | 47.5 Ų | 47.5 | 58% | 0.578 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -61.5 | -50.8 | 173.9 | -173.1 | 179.9 | 176.4 | -179 | 0 | 111.1 | K933 N934 L935 I939 I940 D941 | K933-K937 PolarHBondContact O-N 2.97Å; K933-K937 VanDerWaalsContact O-N 3.07Å; N934-K937 PolarHBondContact O-N 3.06Å; L935-K937 VanDerWaalsContact C-N 3.29Å; L935-K937 PolarHBondContact O-N 3.34Å; K937-I939 VanDerWaalsContact C-N 3.32Å; K937-I939 PolarHBondContact O-N 2.96Å; K937-I940 PolarHBondContact O-N 3.41Å; K937-I940 VanDerWaalsContact O-N 3.1Å; K937-D941 VanDerWaalsContact O-CG 3.29Å; K937-D941 PolarHBondContact O-N 3.36Å |
| 938 | L | 88.8 | Confident | 89 | Confident | 45 Ų | 45 | 52.5 Ų | 52.5 | 24% | 0.236 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.8 | -37.3 | 178.6 | -71 | 169.1 | 0 | 0 | 0 | 113.1 | T901 P902 A905 N934 L935 D941 E942 | T901-L938 HydrophobicContact CG2-CD1 3.78Å; P902-L938 HydrophobicContact CG-CD1 4.31Å; A905-L938 HydrophobicContact CB-CB 3.8Å; N934-L938 WeakPolarHBondContact O-CG 3.33Å; N934-L938 PolarHBondContact O-N 3.39Å; N934-L938 VanDerWaalsContact O-N 3.07Å; L935-L938 PolarHBondContact O-N 3Å; L938-D941 PolarHBondContact O-N 3.26Å; L938-E942 WeakPolarHBondContact O-CB 3.26Å; L938-E942 PolarHBondContact O-N 3.4Å |
| 939 | I | 93.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.1 | -40.5 | 175.5 | -73.1 | 172.2 | 0 | 0 | 0 | 110.9 | A905 L908 V909 I913 L927 L935 N936 K937 T943 W972 M976 | A905-I939 HydrophobicContact CB-CG1 3.82Å; L908-I939 HydrophobicContact CD1-CD1 3.89Å; V909-I939 HydrophobicContact CG2-CG2 4.05Å; I913-I939 HydrophobicContact CD1-CG2 4.47Å; L927-I939 HydrophobicContact CD1-CD1 3.59Å; L927-I939 HydrophobicContact CD2-CD1 3.53Å; L927-I939 HydrophobicContact CG-CD1 4.23Å; L935-I939 HydrophobicContact CD1-CD1 3.95Å; L935-I939 HydrophobicContact CD1-CG1 4.03Å; L935-I939 HydrophobicContact CD2-CD1 4.27Å; L935-I939 HydrophobicContact CG-CD1 3.7Å; L935-I939 HydrophobicContact CG-CG1 4.21Å; L935-I939 WeakPolarHBondContact O-CB 3.41Å; L935-I939 VanDerWaalsContact O-CG1 3.3Å; L935-I939 WeakPolarHBondContact O-CG1 3.34Å; L935-I939 PolarHBondContact O-N 3.29Å; N936-I939 PolarHBondContact O-N 3.32Å; K937-I939 VanDerWaalsContact C-N 3.32Å; K937-I939 PolarHBondContact O-N 2.96Å; I939-T943 VanDerWaalsContact O-CB 3.32Å; I939-T943 WeakPolarHBondContact O-CB 3.41Å; I939-T943 PolarHBondContact O-N 2.83Å; I939-T943 PolarHBondContact O-OG1 3.41Å; I939-W972 HydrophobicContact CG2-CZ2 4.28Å; I939-M976 HydrophobicContact CG2-CE 4.17Å |
| 940 | I | 91.6 | Very high | 88.8 | Confident | 34 Ų | 34 | 49.8 Ų | 49.8 | 17% | 0.174 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.7 | -47.1 | 176.3 | -70 | 168.7 | 0 | 0 | 0 | 110.1 | N936 K937 E942 T943 Y944 M976 T977 | N936-I940 WeakPolarHBondContact O-CG1 3.48Å; N936-I940 PolarHBondContact O-N 3.33Å; N936-I940 VanDerWaalsContact O-N 3.11Å; K937-I940 PolarHBondContact O-N 3.41Å; K937-I940 VanDerWaalsContact O-N 3.1Å; I940-E942 VanDerWaalsContact C-N 3.32Å; I940-E942 PolarHBondContact O-N 2.92Å; I940-T943 WeakPolarHBondContact O-CB 3.43Å; I940-T943 PolarHBondContact O-N 2.82Å; I940-T943 VanDerWaalsContact O-N 3.15Å; I940-Y944 HydrophobicContact CG2-CD2 3.79Å; I940-Y944 HydrophobicContact CG2-CE2 3.34Å; I940-Y944 VanDerWaalsContact O-CD2 3.29Å; I940-Y944 WeakPolarHBondContact O-CD2 3.21Å; I940-Y944 PolarHBondContact O-N 2.96Å; I940-M976 HydrophobicContact CG1-CB 4.34Å; I940-T977 HydrophobicContact CD1-CG2 4.39Å |
| 941 | D | 90.2 | Very high | 88.8 | Confident | 64 Ų | 64 | 49.4 Ų | 49.4 | 34% | 0.342 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.4 | -44.7 | 178.5 | -64.9 | -18 | 0 | 0 | 0 | 111.3 | K937 L938 T943 Y944 K945 | K937-D941 VanDerWaalsContact O-CG 3.29Å; K937-D941 PolarHBondContact O-N 3.36Å; L938-D941 PolarHBondContact O-N 3.26Å; D941-T943 VanDerWaalsContact C-N 3.35Å; D941-T943 PolarHBondContact O-N 3.16Å; D941-Y944 PolarHBondContact O-N 3.2Å; D941-K945 WeakPolarHBondContact O-CG 3.37Å; D941-K945 PolarHBondContact O-N 2.85Å |
| 942 | E | 92.7 | Very high | 88.6 | Confident | 19 Ų | 19 | 46.5 Ų | 46.5 | 9% | 0.089 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71 | -30.3 | 179 | -164.9 | 57.8 | -145.8 | 0 | 0 | 112.9 | T855 Q906 V909 L938 I940 S946 | T855-E942 WeakPolarHBondContact CG2-OE1 3.31Å; Q906-E942 HydrophobicContact CB-CG 4.19Å; Q906-E942 HydrophobicContact CG-CG 4.46Å; V909-E942 HydrophobicContact CB-CB 4.47Å; V909-E942 HydrophobicContact CB-CG 4.09Å; V909-E942 HydrophobicContact CG1-CG 4.44Å; V909-E942 HydrophobicContact CG2-CB 4.12Å; V909-E942 HydrophobicContact CG2-CG 4.25Å; L938-E942 WeakPolarHBondContact O-CB 3.26Å; L938-E942 PolarHBondContact O-N 3.4Å; I940-E942 VanDerWaalsContact C-N 3.32Å; I940-E942 PolarHBondContact O-N 2.92Å; E942-S946 WeakPolarHBondContact O-CB 3.45Å; E942-S946 PolarHBondContact O-N 3.17Å; E942-S946 PolarHBondContact O-OG 3.07Å; E942-S946 VanDerWaalsContact O-OG 3.13Å |
| 943 | T | 94.9 | Very high | 88.2 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64 | -45.9 | 170.2 | -58.8 | 0 | 0 | 0 | 0 | 110.3 | I939 I940 D941 S946 I947 L969 L973 | I939-T943 VanDerWaalsContact O-CB 3.32Å; I939-T943 WeakPolarHBondContact O-CB 3.41Å; I939-T943 PolarHBondContact O-N 2.83Å; I939-T943 PolarHBondContact O-OG1 3.41Å; I940-T943 WeakPolarHBondContact O-CB 3.43Å; I940-T943 PolarHBondContact O-N 2.82Å; I940-T943 VanDerWaalsContact O-N 3.15Å; D941-T943 VanDerWaalsContact C-N 3.35Å; D941-T943 PolarHBondContact O-N 3.16Å; T943-S946 PolarHBondContact O-N 3.24Å; T943-I947 HydrophobicContact CG2-CD1 3.88Å; T943-I947 VanDerWaalsContact O-CG1 3.3Å; T943-I947 WeakPolarHBondContact O-CG1 3.36Å; T943-I947 PolarHBondContact O-N 3.41Å; T943-L969 HydrophobicContact CG2-CD2 4.27Å; T943-L973 HydrophobicContact CG2-CB 4.16Å; T943-L973 HydrophobicContact CG2-CD1 4.38Å |
| 944 | Y | 93.5 | Very high | 87.6 | Confident | 18 Ų | 18 | 42.2 Ų | 42.2 | 7% | 0.071 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.8 | -45.1 | 175.5 | -74 | -57.9 | 0 | 0 | 0 | 112.1 | I940 D941 S946 I947 K948 L973 I984 L989 | I940-Y944 HydrophobicContact CG2-CD2 3.79Å; I940-Y944 HydrophobicContact CG2-CE2 3.34Å; I940-Y944 VanDerWaalsContact O-CD2 3.29Å; I940-Y944 WeakPolarHBondContact O-CD2 3.21Å; I940-Y944 PolarHBondContact O-N 2.96Å; D941-Y944 PolarHBondContact O-N 3.2Å; Y944-S946 VanDerWaalsContact C-N 3.32Å; Y944-S946 PolarHBondContact O-N 3.1Å; Y944-I947 PolarHBondContact O-N 3.39Å; Y944-K948 WeakPolarHBondContact O-CG 3.17Å; Y944-K948 PolarHBondContact O-N 3.05Å; Y944-L973 HydrophobicContact CD1-CD1 4.3Å; Y944-L973 HydrophobicContact CD1-CD2 4.34Å; Y944-L973 HydrophobicContact CE1-CD1 3.69Å; Y944-L973 HydrophobicContact CE1-CD2 3.78Å; Y944-L973 HydrophobicContact CE1-CG 4.38Å; Y944-L973 HydrophobicContact CE2-CD1 4.39Å; Y944-I984 HydrophobicContact CE1-CG2 4.2Å; Y944-I984 WeakPolarHBondContact OH-CG2 3.4Å; Y944-L989 HydrophobicContact CD1-CB 4.1Å; Y944-L989 HydrophobicContact CE1-CB 3.85Å; Y944-L989 HydrophobicContact CE1-CD2 4.4Å |
| 945 | K | 88.9 | Confident | 87.1 | Confident | 84 Ų | 84 | 38.3 Ų | 38.3 | 37% | 0.365 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -55.9 | -47.7 | 174.9 | -71.8 | -176.7 | -175.1 | -171.8 | 0 | 111.4 | D856 D941 I947 K948 I949 | D856-K945 IonicContact OD2-NZ 3.43Å; D856-K945 PolarHBondContact OD2-NZ 3.3Å; D941-K945 WeakPolarHBondContact O-CG 3.37Å; D941-K945 PolarHBondContact O-N 2.85Å; K945-I947 PolarHBondContact O-N 2.97Å; K945-K948 PolarHBondContact O-N 2.64Å; K945-I949 WeakPolarHBondContact O-CG1 3.39Å; K945-I949 PolarHBondContact O-N 3.38Å; K945-I949 VanDerWaalsContact O-N 3.11Å |
| 946 | S | 88.4 | Confident | 85.6 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 178.2 | -72.4 | 0 | 0 | 0 | 0 | 112.7 | R851 E942 T943 Y944 L950 | R851-S946 PolarHBondContact NH2-O 3.45Å; E942-S946 WeakPolarHBondContact O-CB 3.45Å; E942-S946 PolarHBondContact O-N 3.17Å; E942-S946 PolarHBondContact O-OG 3.07Å; E942-S946 VanDerWaalsContact O-OG 3.13Å; T943-S946 PolarHBondContact O-N 3.24Å; Y944-S946 VanDerWaalsContact C-N 3.32Å; Y944-S946 PolarHBondContact O-N 3.1Å; S946-L950 PolarHBondContact O-N 3.19Å |
| 947 | I | 94 | Very high | 83.8 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.9 | -48 | 176.4 | -71.6 | 165.3 | 0 | 0 | 0 | 110.5 | T943 Y944 K945 I949 L950 L951 L966 L969 L973 L989 F1012 | T943-I947 HydrophobicContact CG2-CD1 3.88Å; T943-I947 VanDerWaalsContact O-CG1 3.3Å; T943-I947 WeakPolarHBondContact O-CG1 3.36Å; T943-I947 PolarHBondContact O-N 3.41Å; Y944-I947 PolarHBondContact O-N 3.39Å; K945-I947 PolarHBondContact O-N 2.97Å; I947-I949 VanDerWaalsContact C-N 3.32Å; I947-I949 PolarHBondContact O-N 3.33Å; I947-L950 PolarHBondContact O-N 3.37Å; I947-L950 VanDerWaalsContact O-N 3.1Å; I947-L951 HydrophobicContact CG2-CD1 3.64Å; I947-L951 HydrophobicContact CG2-CG 4.11Å; I947-L951 WeakPolarHBondContact O-CG 3.38Å; I947-L951 PolarHBondContact O-N 3.35Å; I947-L966 HydrophobicContact CG2-CD1 4.16Å; I947-L969 HydrophobicContact CD1-CB 4.23Å; I947-L969 HydrophobicContact CG1-CB 3.77Å; I947-L969 HydrophobicContact CG1-CD1 4.19Å; I947-L973 HydrophobicContact CD1-CB 4.25Å; I947-L973 HydrophobicContact CD1-CD2 3.79Å; I947-L989 HydrophobicContact CG2-CD1 4.37Å; I947-F1012 HydrophobicContact CD1-CE2 3.84Å; I947-F1012 HydrophobicContact CD1-CZ 4.03Å; I947-F1012 HydrophobicContact CG1-CE2 4.09Å; I947-F1012 HydrophobicContact CG1-CZ 4.43Å; I947-F1012 HydrophobicContact CG2-CE1 4.4Å; I947-F1012 HydrophobicContact CG2-CE2 4.01Å; I947-F1012 HydrophobicContact CG2-CZ 3.67Å |
| 948 | K | 90 | Very high | 81.7 | Confident | 108 Ų | 108 | 44.2 Ų | 44.2 | 47% | 0.47 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.3 | -43.5 | 179.4 | -74.8 | -173.9 | 179.1 | -171.9 | 0 | 112.3 | Y944 K945 L950 L951 S952 S988 | Y944-K948 WeakPolarHBondContact O-CG 3.17Å; Y944-K948 PolarHBondContact O-N 3.05Å; K945-K948 PolarHBondContact O-N 2.64Å; K948-L950 VanDerWaalsContact C-N 3.32Å; K948-L950 PolarHBondContact O-N 2.84Å; K948-L951 PolarHBondContact O-N 3.14Å; K948-S952 WeakPolarHBondContact O-CB 3.41Å; K948-S952 PolarHBondContact O-N 2.93Å; K948-S952 PolarHBondContact O-OG 3.32Å; K948-S988 WeakPolarHBondContact CE-O 3.29Å; K948-S988 PolarHBondContact NZ-O 3.14Å |
| 949 | I | 84.8 | Confident | 80.3 | Confident | 29 Ų | 29 | 45.5 Ų | 45.5 | 15% | 0.149 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.3 | -40.6 | 177.2 | -65.5 | 165.3 | 0 | 0 | 0 | 111.6 | R851 V854 T855 K945 I947 S952 M953 | R851-I949 HydrophobicContact CG-CG2 4.14Å; V854-I949 HydrophobicContact CB-CD1 4.38Å; V854-I949 HydrophobicContact CG1-CD1 3.92Å; V854-I949 HydrophobicContact CG1-CG1 4.2Å; T855-I949 HydrophobicContact CG2-CD1 4.49Å; K945-I949 WeakPolarHBondContact O-CG1 3.39Å; K945-I949 PolarHBondContact O-N 3.38Å; K945-I949 VanDerWaalsContact O-N 3.11Å; I947-I949 VanDerWaalsContact C-N 3.32Å; I947-I949 PolarHBondContact O-N 3.33Å; I949-S952 PolarHBondContact O-OG 3.07Å; I949-S952 VanDerWaalsContact O-OG 3.08Å; I949-M953 VanDerWaalsContact O-CG 3.31Å; I949-M953 WeakPolarHBondContact O-CG 3.44Å; I949-M953 PolarHBondContact O-N 3.4Å |
| 950 | L | 86.8 | Confident | 78.6 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.1 | -38.3 | 177.4 | -80 | 167.8 | 0 | 0 | 0 | 112.7 | R851 S946 I947 K948 S952 M953 K955 D962 L965 L966 L969 | R851-L950 VanDerWaalsContact CZ-CG 3.46Å; R851-L950 VanDerWaalsContact NH1-CD1 3.32Å; S946-L950 PolarHBondContact O-N 3.19Å; I947-L950 PolarHBondContact O-N 3.37Å; I947-L950 VanDerWaalsContact O-N 3.1Å; K948-L950 VanDerWaalsContact C-N 3.32Å; K948-L950 PolarHBondContact O-N 2.84Å; L950-S952 VanDerWaalsContact C-N 3.26Å; L950-S952 PolarHBondContact O-N 3.24Å; L950-M953 HydrophobicContact CD2-SD 3.95Å; L950-M953 PolarHBondContact O-N 3.34Å; L950-K955 PolarHBondContact O-NZ 3.09Å; L950-D962 HydrophobicContact CD2-CB 3.74Å; L950-L965 HydrophobicContact CD1-CB 3.9Å; L950-L966 HydrophobicContact CB-CD1 3.82Å; L950-L966 HydrophobicContact CD1-CB 3.93Å; L950-L966 HydrophobicContact CD1-CD1 4Å; L950-L969 HydrophobicContact CD1-CD1 3.84Å |
| 951 | L | 88.1 | Confident | 77.7 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.4 | -23.6 | 177 | -69.3 | 179.2 | 0 | 0 | 0 | 112.3 | I947 K948 K955 L966 L989 L994 V1009 Q1091 L1092 G1093 | I947-L951 HydrophobicContact CG2-CD1 3.64Å; I947-L951 HydrophobicContact CG2-CG 4.11Å; I947-L951 WeakPolarHBondContact O-CG 3.38Å; I947-L951 PolarHBondContact O-N 3.35Å; K948-L951 PolarHBondContact O-N 3.14Å; L951-K955 PolarHBondContact O-NZ 3.24Å; L951-L966 HydrophobicContact CD2-CD1 4.17Å; L951-L966 HydrophobicContact CD2-CD2 3.72Å; L951-L966 HydrophobicContact CG-CD1 4.2Å; L951-L989 HydrophobicContact CD1-CD1 4.15Å; L951-L994 HydrophobicContact CD1-CD1 4.02Å; L951-L994 HydrophobicContact CD1-CD2 3.99Å; L951-L994 HydrophobicContact CD2-CD1 4.47Å; L951-V1009 HydrophobicContact CD2-CG2 4.32Å; L951-Q1091 WeakPolarHBondContact CB-O 3.28Å; L951-L1092 HydrophobicContact CB-CD2 4.2Å; L951-L1092 HydrophobicContact CD2-CD2 3.89Å; L951-G1093 PolarHBondContact O-N 3.08Å |
| 952 | S | 78.7 | Confident | 77.1 | Confident | 54 Ų | 54 | 50.6 Ų | 50.6 | 38% | 0.378 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -90.6 | -16.3 | 175.7 | 67.9 | 0 | 0 | 0 | 0 | 115.4 | K948 I949 L950 | K948-S952 WeakPolarHBondContact O-CB 3.41Å; K948-S952 PolarHBondContact O-N 2.93Å; K948-S952 PolarHBondContact O-OG 3.32Å; I949-S952 PolarHBondContact O-OG 3.07Å; I949-S952 VanDerWaalsContact O-OG 3.08Å; L950-S952 VanDerWaalsContact C-N 3.26Å; L950-S952 PolarHBondContact O-N 3.24Å |
| 953 | M | 76.9 | Confident | 76.8 | Confident | 57 Ų | 57 | 51.9 Ų | 51.9 | 28% | 0.281 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -57.6 | 153.9 | 177.6 | -84.6 | 171.6 | 145.1 | 0 | 0 | 112.5 | I949 L950 K955 | I949-M953 VanDerWaalsContact O-CG 3.31Å; I949-M953 WeakPolarHBondContact O-CG 3.44Å; I949-M953 PolarHBondContact O-N 3.4Å; L950-M953 HydrophobicContact CD2-SD 3.95Å; L950-M953 PolarHBondContact O-N 3.34Å; M953-K955 WeakPolarHBondContact O-CD 3.46Å; M953-K955 WeakPolarHBondContact O-CE 3.48Å; M953-K955 PolarHBondContact O-NZ 3.32Å |
| 954 | D | 69.9 | Low | 76.3 | Confident | 111 Ų | 111 | 55.2 Ų | 55.2 | 59% | 0.594 | 30% | 0.303 | S | S | * | . | trans | -74.4 | 131 | 174.4 | -176.8 | 6.3 | 0 | 0 | 0 | 110.7 | S956 | D954-S956 VanDerWaalsContact OD1-CB 3.3Å; D954-S956 WeakPolarHBondContact OD1-CB 3.49Å; D954-S956 PolarHBondContact OD1-N 3.38Å; D954-S956 PolarHBondContact OD1-OG 3.04Å; D954-S956 VanDerWaalsContact OD1-OG 3.13Å; D954-S956 PolarHBondContact OD2-OG 3.26Å | ||
| 955 | K | 73 | Confident | 76.1 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 5% | 0.048 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -96 | -3 | -177.1 | -78.7 | 59.1 | 168.2 | -174.7 | 0 | 112.4 | L950 L951 M953 K957 E1005 F1008 | L950-K955 PolarHBondContact O-NZ 3.09Å; L951-K955 PolarHBondContact O-NZ 3.24Å; M953-K955 WeakPolarHBondContact O-CD 3.46Å; M953-K955 WeakPolarHBondContact O-CE 3.48Å; M953-K955 PolarHBondContact O-NZ 3.32Å; K955-K957 PolarHBondContact O-N 3.04Å; K955-E1005 WeakPolarHBondContact CE-OE2 3.29Å; K955-F1008 HydrophobicContact CB-CE2 4.29Å; K955-F1008 HydrophobicContact CG-CD2 3.79Å; K955-F1008 HydrophobicContact CG-CE2 3.68Å; K955-F1008 HydrophobicContact CG-CG 4.35Å; K955-F1008 HydrophobicContact CG-CZ 4.12Å |
| 956 | S | 56.8 | Low | 76.2 | Confident | 68 Ų | 68 | 51.2 Ų | 51.2 | 48% | 0.476 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -56.6 | -38.7 | 175.6 | 69.1 | 0 | 0 | 0 | 0 | 111.8 | D954 | D954-S956 VanDerWaalsContact OD1-CB 3.3Å; D954-S956 WeakPolarHBondContact OD1-CB 3.49Å; D954-S956 PolarHBondContact OD1-N 3.38Å; D954-S956 PolarHBondContact OD1-OG 3.04Å; D954-S956 VanDerWaalsContact OD1-OG 3.13Å; D954-S956 PolarHBondContact OD2-OG 3.26Å |
| 957 | K | 50.7 | Low | 76.4 | Confident | 119 Ų | 119 | 53.3 Ų | 53.3 | 52% | 0.517 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -92.2 | 100.3 | 174.9 | -63.3 | 179.5 | 178.4 | 179 | 0 | 109.3 | E620 K955 N959 | E620-K957 IonicContact OE1-NZ 3.53Å; E620-K957 PolarHBondContact OE1-NZ 3.4Å; E620-K957 IonicContact OE2-NZ 3.19Å; K955-K957 PolarHBondContact O-N 3.04Å; K957-N959 VanDerWaalsContact C-N 3.34Å; K957-N959 PolarHBondContact O-N 3.47Å |
| 958 | A | 44.6 | Very low | 76.5 | Confident | 94 Ų | 94 | 53.9 Ų | 53.9 | 78% | 0.777 | 30% | 0.299 | S | S | * | . | trans | -65.6 | 80.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L960 | A958-L960 PolarHBondContact O-N 2.76Š| ||
| 959 | N | 58.4 | Low | 76.8 | Confident | 72 Ų | 72 | 48.8 Ų | 48.8 | 39% | 0.385 | 28% | 0.277 | S | S | . | . | trans | -84.2 | 100.3 | 175.4 | -74.5 | -14.5 | 0 | 0 | 0 | 111.3 | K957 S961 D962 | K957-N959 VanDerWaalsContact C-N 3.34Å; K957-N959 PolarHBondContact O-N 3.47Å; N959-S961 PolarHBondContact O-N 3.31Å; N959-S961 VanDerWaalsContact O-N 3.13Å; N959-D962 HydrophobicContact CB-CB 4.23Å; N959-D962 WeakPolarHBondContact CB-OD2 3.39Å; N959-D962 PolarHBondContact ND2-OD2 3.01Å; N959-D962 PolarHBondContact O-N 3.41Å; N959-D962 VanDerWaalsContact O-N 3.11Å | ||
| 960 | L | 56.8 | Low | 77.3 | Confident | 131 Ų | 131 | 47.4 Ų | 47.4 | 69% | 0.686 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -56.9 | -28.3 | 177.3 | -169.2 | 69.2 | 0 | 0 | 0 | 112.9 | A958 T964 | A958-L960 PolarHBondContact O-N 2.76Å; L960-T964 PolarHBondContact O-N 3.42Å; L960-T964 PolarHBondContact O-OG1 2.78Å |
| 961 | S | 72.8 | Confident | 77.7 | Confident | 61 Ų | 61 | 49 Ų | 49 | 43% | 0.427 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 175.4 | 53.4 | 0 | 0 | 0 | 0 | 111.9 | N959 R963 T964 L965 | N959-S961 PolarHBondContact O-N 3.31Å; N959-S961 VanDerWaalsContact O-N 3.13Å; S961-R963 VanDerWaalsContact C-N 3.33Å; S961-R963 PolarHBondContact O-N 3.04Å; S961-T964 WeakPolarHBondContact O-CA 3.36Å; S961-T964 WeakPolarHBondContact O-CB 3.39Å; S961-T964 PolarHBondContact O-N 3.07Å; S961-L965 WeakPolarHBondContact O-CG 3.34Å; S961-L965 PolarHBondContact O-N 3.42Å |
| 962 | D | 79.6 | Confident | 78.2 | Confident | 13 Ų | 13 | 49 Ų | 49 | 7% | 0.07 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.8 | -36.1 | -170.7 | -63.6 | -19.1 | 0 | 0 | 0 | 111.2 | N847 L950 N959 T964 L965 L966 F1008 | N847-D962 PolarHBondContact ND2-OD1 2.98Å; L950-D962 HydrophobicContact CD2-CB 3.74Å; N959-D962 HydrophobicContact CB-CB 4.23Å; N959-D962 WeakPolarHBondContact CB-OD2 3.39Å; N959-D962 PolarHBondContact ND2-OD2 3.01Å; N959-D962 PolarHBondContact O-N 3.41Å; N959-D962 VanDerWaalsContact O-N 3.11Å; D962-T964 VanDerWaalsContact C-N 3.31Å; D962-T964 PolarHBondContact O-N 3.26Å; D962-L965 PolarHBondContact O-N 3.13Å; D962-L966 WeakPolarHBondContact O-CB 3.48Å; D962-L966 PolarHBondContact O-N 3.47Å; D962-F1008 HydrophobicContact CB-CE1 4.36Å |
| 963 | R | 84.5 | Confident | 79 | Confident | 47 Ų | 47 | 46.4 Ų | 46.4 | 18% | 0.177 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61 | -40.8 | 171.4 | -170.8 | 179.4 | 176.6 | -155.5 | -3.6 | 111.9 | S961 K967 L1007 F1008 | S961-R963 VanDerWaalsContact C-N 3.33Å; S961-R963 PolarHBondContact O-N 3.04Å; R963-K967 WeakPolarHBondContact O-CG 3.39Å; R963-K967 PolarHBondContact O-N 3.39Å; R963-L1007 PolarHBondContact NE-O 2.55Å; R963-F1008 HydrophobicContact CB-CD1 3.88Å; R963-F1008 HydrophobicContact CB-CE1 3.68Å; R963-F1008 HydrophobicContact CB-CZ 4.3Å; R963-F1008 HydrophobicContact CG-CD1 4.22Å; R963-F1008 HydrophobicContact CG-CE1 4.41Å |
| 964 | T | 84.5 | Confident | 79.9 | Confident | 70 Ų | 70 | 43.7 Ų | 43.7 | 43% | 0.429 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.4 | -43.9 | 179 | -54.9 | 0 | 0 | 0 | 0 | 111 | L960 S961 D962 L966 K967 N968 | L960-T964 PolarHBondContact O-N 3.42Å; L960-T964 PolarHBondContact O-OG1 2.78Å; S961-T964 WeakPolarHBondContact O-CA 3.36Å; S961-T964 WeakPolarHBondContact O-CB 3.39Å; S961-T964 PolarHBondContact O-N 3.07Å; D962-T964 VanDerWaalsContact C-N 3.31Å; D962-T964 PolarHBondContact O-N 3.26Å; T964-L966 VanDerWaalsContact C-N 3.31Å; T964-L966 PolarHBondContact O-N 3.4Å; T964-K967 PolarHBondContact O-N 2.95Å; T964-N968 PolarHBondContact O-N 3.25Å; T964-N968 PolarHBondContact O-OD1 3.03Å |
| 965 | L | 89 | Confident | 80.9 | Confident | 18 Ų | 18 | 38.8 Ų | 38.8 | 9% | 0.094 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.9 | -42.9 | 175 | -63.3 | 176.1 | 0 | 0 | 0 | 111.5 | S914 L915 L950 S961 D962 N968 L969 | S914-L965 VanDerWaalsContact O-CD2 3.27Å; S914-L965 WeakPolarHBondContact O-CD2 3.38Å; L915-L965 HydrophobicContact CD2-CD2 3.63Å; L950-L965 HydrophobicContact CD1-CB 3.9Å; S961-L965 WeakPolarHBondContact O-CG 3.34Å; S961-L965 PolarHBondContact O-N 3.42Å; D962-L965 PolarHBondContact O-N 3.13Å; L965-N968 PolarHBondContact O-N 3.47Å; L965-L969 WeakPolarHBondContact O-CG 3.36Å; L965-L969 PolarHBondContact O-N 3.5Å |
| 966 | L | 93.1 | Very high | 81.8 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.1 | -45.1 | 178.9 | -168.7 | 66.5 | 0 | 0 | 0 | 111.6 | I947 L950 L951 D962 T964 N968 L969 G970 F1008 F1012 | I947-L966 HydrophobicContact CG2-CD1 4.16Å; L950-L966 HydrophobicContact CB-CD1 3.82Å; L950-L966 HydrophobicContact CD1-CB 3.93Å; L950-L966 HydrophobicContact CD1-CD1 4Å; L951-L966 HydrophobicContact CD2-CD1 4.17Å; L951-L966 HydrophobicContact CD2-CD2 3.72Å; L951-L966 HydrophobicContact CG-CD1 4.2Å; D962-L966 WeakPolarHBondContact O-CB 3.48Å; D962-L966 PolarHBondContact O-N 3.47Å; T964-L966 VanDerWaalsContact C-N 3.31Å; T964-L966 PolarHBondContact O-N 3.4Å; L966-N968 VanDerWaalsContact C-N 3.3Å; L966-N968 PolarHBondContact O-N 2.98Å; L966-L969 PolarHBondContact O-N 3.45Å; L966-G970 PolarHBondContact O-N 3.29Å; L966-F1008 HydrophobicContact CD2-CB 4.05Å; L966-F1012 HydrophobicContact CD1-CD2 3.93Å; L966-F1012 HydrophobicContact CD1-CE2 4.24Å; L966-F1012 HydrophobicContact CD1-CG 4.32Å; L966-F1012 HydrophobicContact CD2-CB 3.88Å; L966-F1012 HydrophobicContact CD2-CG 4.19Å; L966-F1012 HydrophobicContact CG-CB 3.89Å; L966-F1012 HydrophobicContact CG-CD2 3.76Å; L966-F1012 HydrophobicContact CG-CG 3.93Å; L966-F1012 WeakPolarHBondContact O-CD2 3.32Å |
| 967 | K | 92.5 | Very high | 83.5 | Confident | 46 Ų | 46 | 35.4 Ų | 35.4 | 20% | 0.2 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.9 | -41.2 | 174.5 | -75.4 | -177.7 | 71.5 | 166.1 | 0 | 112.1 | R963 T964 G970 H971 P1011 K1015 E1056 | R963-K967 WeakPolarHBondContact O-CG 3.39Å; R963-K967 PolarHBondContact O-N 3.39Å; T964-K967 PolarHBondContact O-N 2.95Å; K967-G970 PolarHBondContact O-N 3.49Å; K967-H971 PolarHBondContact O-N 3.15Å; K967-H971 VanDerWaalsContact O-N 3.08Å; K967-P1011 HydrophobicContact CD-CB 3.59Å; K967-P1011 HydrophobicContact CG-CB 3.73Å; K967-K1015 HydrophobicContact CB-CG 4.27Å; K967-K1015 HydrophobicContact CG-CG 4.46Å; K967-E1056 IonicContact NZ-OE1 2.72Å; K967-E1056 PolarHBondContact NZ-OE1 3.38Å; K967-E1056 IonicContact NZ-OE2 2.69Å |
| 968 | N | 94.6 | Very high | 85.4 | Confident | 13 Ų | 13 | 29.8 Ų | 29.8 | 7% | 0.07 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.4 | -51 | 177.3 | -67.7 | -9.8 | 0 | 0 | 0 | 110.4 | S914 L917 H920 T964 L965 L966 G970 H971 W972 | S914-N968 WeakPolarHBondContact O-CB 3.48Å; S914-N968 PolarHBondContact O-ND2 3.27Å; L917-N968 WeakPolarHBondContact CB-OD1 3.41Å; H920-N968 PolarHBondContact CE1-O 3.13Å; T964-N968 PolarHBondContact O-N 3.25Å; T964-N968 PolarHBondContact O-OD1 3.03Å; L965-N968 PolarHBondContact O-N 3.47Å; L966-N968 VanDerWaalsContact C-N 3.3Å; L966-N968 PolarHBondContact O-N 2.98Å; N968-G970 VanDerWaalsContact C-N 3.3Å; N968-G970 PolarHBondContact O-N 3.05Å; N968-H971 PolarHBondContact O-N 3.29Å; N968-W972 PolarHBondContact O-N 3.25Å |
| 969 | L | 96.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.5 | -37.2 | 177.4 | -69.5 | 168.9 | 0 | 0 | 0 | 112.6 | V909 T943 I947 L950 L965 L966 W972 L973 | V909-L969 HydrophobicContact CG1-CD2 3.9Å; T943-L969 HydrophobicContact CG2-CD2 4.27Å; I947-L969 HydrophobicContact CD1-CB 4.23Å; I947-L969 HydrophobicContact CG1-CB 3.77Å; I947-L969 HydrophobicContact CG1-CD1 4.19Å; L950-L969 HydrophobicContact CD1-CD1 3.84Å; L965-L969 WeakPolarHBondContact O-CG 3.36Å; L965-L969 PolarHBondContact O-N 3.5Å; L966-L969 PolarHBondContact O-N 3.45Å; L969-W972 PolarHBondContact O-N 3.33Å; L969-L973 WeakPolarHBondContact O-CB 3.29Å; L969-L973 PolarHBondContact O-N 3.45Å |
| 970 | G | 95.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61 | -47.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L966 K967 N968 W972 L973 G974 V1016 | L966-G970 PolarHBondContact O-N 3.29Å; K967-G970 PolarHBondContact O-N 3.49Å; N968-G970 VanDerWaalsContact C-N 3.3Å; N968-G970 PolarHBondContact O-N 3.05Å; G970-W972 VanDerWaalsContact C-N 3.3Å; G970-W972 PolarHBondContact O-N 3.35Å; G970-L973 PolarHBondContact O-N 3.07Å; G970-G974 PolarHBondContact O-N 3.42Å; G970-V1016 WeakPolarHBondContact O-CA 3.43Å; G970-V1016 WeakPolarHBondContact O-CG2 3.04Å |
| 971 | H | 96.2 | Very high | 90.1 | Very high | 41 Ų | 41 | 21.8 Ų | 21.8 | 19% | 0.19 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.3 | -36.3 | 175.8 | 177.4 | -109.6 | 0 | 0 | 0 | 112.1 | L917 H920 K967 N968 K975 K1015 E1018 | L917-H971 HydrophobicContact CD1-CB 4Å; L917-H971 WeakPolarHBondContact CD1-ND1 3.38Å; H920-H971 AromaticContact CG-ND1 3.84Å; H920-H971 AromaticContact ND1-ND1 3.16Å; H920-H971 PolarHBondContact ND1-ND1 3.41Å; H920-H971 VanDerWaalsContact ND1-ND1 3.16Å; K967-H971 PolarHBondContact O-N 3.15Å; K967-H971 VanDerWaalsContact O-N 3.08Å; N968-H971 PolarHBondContact O-N 3.29Å; H971-K975 WeakPolarHBondContact O-CB 3.13Å; H971-K975 PolarHBondContact O-N 2.85Å; H971-K1015 WeakPolarHBondContact CA-O 3.21Å; H971-K1015 HydrophobicContact CB-CB 4.21Å; H971-K1015 HydrophobicContact CB-CD 4.32Å; H971-E1018 IonicContact CD2-OE2 2.88Å |
| 972 | W | 97 | Very high | 90.5 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 0% | 0.004 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.1 | -47.8 | 174.7 | -176.9 | -109.4 | 0 | 0 | 0 | 112.9 | I913 H920 F924 L927 I939 N968 L969 G970 K975 M976 | I913-W972 HydrophobicContact CD1-CD2 4.09Å; I913-W972 VanDerWaalsContact CD1-CE2 3.45Å; I913-W972 HydrophobicContact CD1-CH2 4.21Å; I913-W972 HydrophobicContact CD1-CZ2 3.52Å; I913-W972 HydrophobicContact CG1-CD2 4.19Å; I913-W972 HydrophobicContact CG1-CE3 4.46Å; I913-W972 HydrophobicContact CG1-CH2 4.47Å; I913-W972 HydrophobicContact CG1-CZ2 4.19Å; I913-W972 HydrophobicContact CG2-CB 3.56Å; I913-W972 HydrophobicContact CG2-CD2 3.55Å; I913-W972 HydrophobicContact CG2-CE3 4.13Å; I913-W972 HydrophobicContact CG2-CG 3.25Å; H920-W972 HydrophobicContact CB-CE3 4.02Å; H920-W972 HydrophobicContact CB-CZ3 4.27Å; H920-W972 AromaticContact CG-CE3 3.82Å; H920-W972 AromaticContact ND1-CE3 3.86Å; H920-W972 WeakPolarHBondContact O-CZ3 3.1Å; F924-W972 HydrophobicContact CB-CH2 4.29Å; F924-W972 HydrophobicContact CB-CZ3 4.06Å; L927-W972 HydrophobicContact CD1-CH2 3.73Å; L927-W972 HydrophobicContact CD1-CZ2 3.49Å; L927-W972 VanDerWaalsContact CD1-CZ2 3.49Å; I939-W972 HydrophobicContact CG2-CZ2 4.28Å; N968-W972 PolarHBondContact O-N 3.25Å; L969-W972 PolarHBondContact O-N 3.33Å; G970-W972 VanDerWaalsContact C-N 3.3Å; G970-W972 PolarHBondContact O-N 3.35Å; W972-K975 PolarHBondContact O-N 3.42Å; W972-M976 HydrophobicContact CD2-CG 4.13Å; W972-M976 HydrophobicContact CH2-CG 4.4Å; W972-M976 HydrophobicContact CH2-SD 4.28Å; W972-M976 HydrophobicContact CZ2-CE 4.08Å; W972-M976 HydrophobicContact CZ2-CG 3.77Å; W972-M976 HydrophobicContact CZ2-SD 3.91Å; W972-M976 PolarHBondContact O-N 3.5Å |
| 973 | L | 96.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.9 | -54.8 | 179.7 | 179.1 | 65.7 | 0 | 0 | 0 | 110.5 | T943 Y944 I947 L969 G970 K975 M976 T977 I984 L989 V1016 | T943-L973 HydrophobicContact CG2-CB 4.16Å; T943-L973 HydrophobicContact CG2-CD1 4.38Å; Y944-L973 HydrophobicContact CD1-CD1 4.3Å; Y944-L973 HydrophobicContact CD1-CD2 4.34Å; Y944-L973 HydrophobicContact CE1-CD1 3.69Å; Y944-L973 HydrophobicContact CE1-CD2 3.78Å; Y944-L973 HydrophobicContact CE1-CG 4.38Å; Y944-L973 HydrophobicContact CE2-CD1 4.39Å; I947-L973 HydrophobicContact CD1-CB 4.25Å; I947-L973 HydrophobicContact CD1-CD2 3.79Å; L969-L973 WeakPolarHBondContact O-CB 3.29Å; L969-L973 PolarHBondContact O-N 3.45Å; G970-L973 PolarHBondContact O-N 3.07Å; L973-K975 PolarHBondContact O-N 3.38Å; L973-M976 PolarHBondContact O-N 3.36Å; L973-M976 VanDerWaalsContact O-N 3.1Å; L973-T977 HydrophobicContact CD1-CG2 4.02Å; L973-T977 PolarHBondContact O-N 2.88Å; L973-T977 PolarHBondContact O-OG1 2.86Å; L973-I984 HydrophobicContact CD2-CD1 4.32Å; L973-L989 HydrophobicContact CD2-CD2 3.67Å; L973-V1016 HydrophobicContact CD2-CG2 4.45Å |
| 974 | G | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.3 | -38.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G970 I978 G979 A1019 | G970-G974 PolarHBondContact O-N 3.42Å; G974-I978 WeakPolarHBondContact O-CA 3.42Å; G974-I978 WeakPolarHBondContact O-CB 3.42Å; G974-I978 PolarHBondContact O-N 3.26Å; G974-G979 PolarHBondContact O-N 3.3Å; G974-A1019 WeakPolarHBondContact O-CB 3.43Å |
| 975 | K | 92.1 | Very high | 90.5 | Very high | 8 Ų | 8 | 24.3 Ų | 24.3 | 4% | 0.035 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.8 | -40.1 | 178.9 | -165 | 178 | -171.6 | 175.9 | 0 | 114.1 | H920 N921 F924 H971 W972 L973 T977 | H920-K975 PolarHBondContact O-NZ 3Å; N921-K975 PolarHBondContact OD1-NZ 3.24Å; F924-K975 HydrophobicContact CB-CD 4.07Å; F924-K975 HydrophobicContact CD2-CD 4.02Å; F924-K975 HydrophobicContact CD2-CG 3.79Å; F924-K975 HydrophobicContact CE2-CG 3.93Å; F924-K975 VanDerWaalsContact CE2-O 3.29Å; F924-K975 WeakPolarHBondContact CE2-O 3.46Å; F924-K975 HydrophobicContact CG-CD 4.01Å; F924-K975 HydrophobicContact CG-CG 4.22Å; F924-K975 HydrophobicContact CZ-CG 4.47Å; H971-K975 WeakPolarHBondContact O-CB 3.13Å; H971-K975 PolarHBondContact O-N 2.85Å; W972-K975 PolarHBondContact O-N 3.42Å; L973-K975 PolarHBondContact O-N 3.38Å; K975-T977 VanDerWaalsContact C-N 3.35Å |
| 976 | M | 91.4 | Very high | 89.9 | Confident | 6 Ų | 6 | 27.2 Ų | 27.2 | 3% | 0.03 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -74.9 | -24.7 | 179.5 | -74.9 | -70.4 | -87.1 | 0 | 0 | 112.8 | F924 L927 I939 I940 W972 L973 | F924-M976 HydrophobicContact CD2-CG 4.43Å; F924-M976 HydrophobicContact CD2-SD 3.68Å; F924-M976 HydrophobicContact CE2-SD 4.07Å; L927-M976 HydrophobicContact CD1-CE 3.72Å; L927-M976 HydrophobicContact CD1-SD 4.37Å; I939-M976 HydrophobicContact CG2-CE 4.17Å; I940-M976 HydrophobicContact CG1-CB 4.34Å; W972-M976 HydrophobicContact CD2-CG 4.13Å; W972-M976 HydrophobicContact CH2-CG 4.4Å; W972-M976 HydrophobicContact CH2-SD 4.28Å; W972-M976 HydrophobicContact CZ2-CE 4.08Å; W972-M976 HydrophobicContact CZ2-CG 3.77Å; W972-M976 HydrophobicContact CZ2-SD 3.91Å; W972-M976 PolarHBondContact O-N 3.5Å; L973-M976 PolarHBondContact O-N 3.36Å; L973-M976 VanDerWaalsContact O-N 3.1Å |
| 977 | T | 92.7 | Very high | 89.2 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -82.3 | 179.7 | 60.3 | 0 | 0 | 0 | 0 | 111.7 | I940 L973 K975 G979 K980 N981 T982 | I940-T977 HydrophobicContact CD1-CG2 4.39Å; L973-T977 HydrophobicContact CD1-CG2 4.02Å; L973-T977 PolarHBondContact O-N 2.88Å; L973-T977 PolarHBondContact O-OG1 2.86Å; K975-T977 VanDerWaalsContact C-N 3.35Å; T977-G979 VanDerWaalsContact C-N 3.34Å; T977-G979 PolarHBondContact O-N 3.47Å; T977-K980 CarbonylContact O-C 3.59Å; T977-K980 WeakPolarHBondContact O-CA 3.27Å; T977-K980 PolarHBondContact O-N 3.32Å; T977-N981 PolarHBondContact O-N 3.19Å; T977-T982 CarbonylContact C-O 2.88Å; T977-T982 WeakPolarHBondContact CA-O 3.38Å; T977-T982 WeakPolarHBondContact CB-O 3.39Å; T977-T982 PolarHBondContact O-N 2.98Å; T977-T982 VanDerWaalsContact O-O 3.13Å |
| 978 | I | 90.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -55.4 | -47.1 | -174.6 | -61.3 | 175.5 | 0 | 0 | 0 | 111 | G974 K980 N981 T982 I984 V1016 A1019 S1023 F1026 W1032 | G974-I978 WeakPolarHBondContact O-CA 3.42Å; G974-I978 WeakPolarHBondContact O-CB 3.42Å; G974-I978 PolarHBondContact O-N 3.26Å; I978-K980 PolarHBondContact O-N 3.31Å; I978-K980 VanDerWaalsContact O-N 3.14Å; I978-N981 WeakPolarHBondContact O-CA 3.39Å; I978-N981 PolarHBondContact O-N 3.44Å; I978-T982 PolarHBondContact N-O 3.01Å; I978-I984 HydrophobicContact CD1-CD1 3.9Å; I978-I984 HydrophobicContact CG1-CD1 4.18Å; I978-I984 HydrophobicContact CG1-CG1 4.34Å; I978-V1016 HydrophobicContact CD1-CG1 3.8Å; I978-A1019 HydrophobicContact CB-CB 4.02Å; I978-A1019 HydrophobicContact CG2-CB 4.12Å; I978-S1023 VanDerWaalsContact O-CB 3.24Å; I978-S1023 WeakPolarHBondContact O-CB 3.49Å; I978-S1023 PolarHBondContact O-OG 2.91Å; I978-F1026 HydrophobicContact CB-CD2 4.28Å; I978-F1026 HydrophobicContact CG2-CB 3.71Å; I978-F1026 HydrophobicContact CG2-CD2 3.86Å; I978-F1026 HydrophobicContact CG2-CG 4.01Å; I978-W1032 HydrophobicContact CD1-CH2 3.78Å; I978-W1032 HydrophobicContact CD1-CZ3 3.93Å; I978-W1032 HydrophobicContact CG1-CH2 4.49Å |
| 979 | G | 87 | Confident | 88.5 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 14% | 0.144 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -63.1 | -19.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G974 T977 | G974-G979 PolarHBondContact O-N 3.3Å; T977-G979 VanDerWaalsContact C-N 3.34Å; T977-G979 PolarHBondContact O-N 3.47Å |
| 980 | K | 84.7 | Confident | 88.3 | Confident | 70 Ų | 70 | 35.6 Ų | 35.6 | 30% | 0.304 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -100.3 | 11.1 | 171.3 | -77.4 | -172.9 | 166.1 | 168.9 | 0 | 113.2 | F924 T928 T977 I978 T982 | F924-K980 HydrophobicContact CE2-CD 3.96Å; F924-K980 HydrophobicContact CE2-CG 3.99Å; F924-K980 HydrophobicContact CZ-CD 4.11Å; F924-K980 HydrophobicContact CZ-CG 3.86Å; T928-K980 PolarHBondContact OG1-NZ 3.48Å; T977-K980 CarbonylContact O-C 3.59Å; T977-K980 WeakPolarHBondContact O-CA 3.27Å; T977-K980 PolarHBondContact O-N 3.32Å; I978-K980 PolarHBondContact O-N 3.31Å; I978-K980 VanDerWaalsContact O-N 3.14Å; K980-T982 PolarHBondContact O-N 3.08Å |
| 981 | N | 85.9 | Confident | 88.1 | Confident | 46 Ų | 46 | 35.8 Ų | 35.8 | 25% | 0.246 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 33.7 | -174.6 | -45.6 | -72.7 | 0 | 0 | 0 | 112.6 | T977 I978 S1023 H1024 V1025 | T977-N981 PolarHBondContact O-N 3.19Å; I978-N981 WeakPolarHBondContact O-CA 3.39Å; I978-N981 PolarHBondContact O-N 3.44Å; N981-S1023 WeakPolarHBondContact OD1-CA 3.35Å; N981-S1023 WeakPolarHBondContact OD1-CB 3.23Å; N981-S1023 PolarHBondContact OD1-OG 3.12Å; N981-H1024 PolarHBondContact ND2-CE1 3.07Å; N981-H1024 PolarHBondContact ND2-ND1 2.83Å; N981-H1024 PolarHBondContact OD1-N 3.43Å; N981-H1024 PolarHBondContact OD1-ND1 3.44Å; N981-V1025 HydrophobicContact CB-CB 4.1Å; N981-V1025 HydrophobicContact CB-CG2 3.78Å; N981-V1025 PolarHBondContact OD1-N 3.33Å |
| 982 | T | 81.6 | Confident | 87.8 | Confident | 68 Ų | 68 | 37.1 Ų | 37.1 | 42% | 0.417 | 20% | 0.203 | S | C | . | . | trans | -107.8 | 127.9 | 173.4 | -53.1 | 0 | 0 | 0 | 0 | 109.2 | T977 I978 K980 | T977-T982 CarbonylContact C-O 2.88Å; T977-T982 WeakPolarHBondContact CA-O 3.38Å; T977-T982 WeakPolarHBondContact CB-O 3.39Å; T977-T982 PolarHBondContact O-N 2.98Å; T977-T982 VanDerWaalsContact O-O 3.13Å; I978-T982 PolarHBondContact N-O 3.01Å; K980-T982 PolarHBondContact O-N 3.08Å | ||
| 983 | P | 79.7 | Confident | 87.4 | Confident | 85 Ų | 85 | 38.2 Ų | 38.2 | 55% | 0.552 | 21% | 0.209 | S | C | * | . | P | Polyproline II helix | trans | -68 | 155.6 | -178.4 | 26.3 | -32.9 | 0 | 0 | 0 | 112.7 | F1026 | P983-F1026 VanDerWaalsContact CA-CZ 3.46Å; P983-F1026 HydrophobicContact CB-CE1 4.3Å; P983-F1026 HydrophobicContact CB-CZ 3.77Å |
| 984 | I | 88.3 | Confident | 87.3 | Confident | 14 Ų | 14 | 38.1 Ų | 38.1 | 7% | 0.072 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -82.8 | 127.2 | 166 | -63.7 | 175.7 | 0 | 0 | 0 | 107.2 | Y944 L973 I978 S986 L989 L991 V1016 W1032 | Y944-I984 HydrophobicContact CE1-CG2 4.2Å; Y944-I984 WeakPolarHBondContact OH-CG2 3.4Å; L973-I984 HydrophobicContact CD2-CD1 4.32Å; I978-I984 HydrophobicContact CD1-CD1 3.9Å; I978-I984 HydrophobicContact CG1-CD1 4.18Å; I978-I984 HydrophobicContact CG1-CG1 4.34Å; I984-S986 PolarHBondContact O-N 2.9Å; I984-L989 HydrophobicContact CG2-CB 4.13Å; I984-L989 WeakPolarHBondContact CG2-O 3.3Å; I984-L991 HydrophobicContact CD1-CD1 4.07Å; I984-V1016 HydrophobicContact CD1-CG1 3.59Å; I984-W1032 HydrophobicContact CD1-CH2 4.38Å |
| 985 | D | 79.8 | Confident | 87.3 | Confident | 76 Ų | 76 | 38.2 Ų | 38.2 | 41% | 0.406 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -72.3 | 121.7 | 176.7 | 169.2 | 31.4 | 0 | 0 | 0 | 110 | K987 S988 L989 | D985-K987 PolarHBondContact O-N 3.08Å; D985-K987 PolarHBondContact OD1-N 3.29Å; D985-K987 VanDerWaalsContact OD1-N 3.16Å; D985-S988 WeakPolarHBondContact O-CA 2.93Å; D985-S988 WeakPolarHBondContact O-CB 3.26Å; D985-S988 PolarHBondContact O-N 2.98Å; D985-S988 PolarHBondContact OD2-N 3.46Å; D985-S988 PolarHBondContact OD2-OG 3.32Å; D985-L989 PolarHBondContact O-N 3.07Å |
| 986 | S | 77.8 | Confident | 87.2 | Confident | 80 Ų | 80 | 37.9 Ų | 37.9 | 56% | 0.559 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.6 | -178 | 54.3 | 0 | 0 | 0 | 0 | 113 | I984 S988 | I984-S986 PolarHBondContact O-N 2.9Å; S986-S988 PolarHBondContact O-N 3.39Å |
| 987 | K | 78 | Confident | 87.2 | Confident | 157 Ų | 157 | 37.7 Ų | 37.7 | 68% | 0.683 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -28.4 | 172.3 | -63.9 | -174.9 | 178.1 | -174.4 | 0 | 111.7 | D985 D1383 | D985-K987 PolarHBondContact O-N 3.08Å; D985-K987 PolarHBondContact OD1-N 3.29Å; D985-K987 VanDerWaalsContact OD1-N 3.16Å; K987-D1383 IonicContact NZ-OD1 3.53Å |
| 988 | S | 81 | Confident | 87.2 | Confident | 32 Ų | 32 | 37.6 Ų | 37.6 | 22% | 0.224 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -43.4 | 179.8 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | K948 D985 S986 | K948-S988 WeakPolarHBondContact CE-O 3.29Å; K948-S988 PolarHBondContact NZ-O 3.14Å; D985-S988 WeakPolarHBondContact O-CA 2.93Å; D985-S988 WeakPolarHBondContact O-CB 3.26Å; D985-S988 PolarHBondContact O-N 2.98Å; D985-S988 PolarHBondContact OD2-N 3.46Å; D985-S988 PolarHBondContact OD2-OG 3.32Å; S986-S988 PolarHBondContact O-N 3.39Å |
| 989 | L | 92 | Very high | 87.2 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | trans | -158.7 | 115.1 | 177.1 | -178.3 | 73.5 | 0 | 0 | 0 | 110.4 | Y944 I947 L951 L973 I984 D985 L991 L994 F1012 | Y944-L989 HydrophobicContact CD1-CB 4.1Å; Y944-L989 HydrophobicContact CE1-CB 3.85Å; Y944-L989 HydrophobicContact CE1-CD2 4.4Å; I947-L989 HydrophobicContact CG2-CD1 4.37Å; L951-L989 HydrophobicContact CD1-CD1 4.15Å; L973-L989 HydrophobicContact CD2-CD2 3.67Å; I984-L989 HydrophobicContact CG2-CB 4.13Å; I984-L989 WeakPolarHBondContact CG2-O 3.3Å; D985-L989 PolarHBondContact O-N 3.07Å; L989-L991 HydrophobicContact CD2-CD2 3.96Å; L989-L991 HydrophobicContact CD2-CG 4.38Å; L989-L991 HydrophobicContact CG-CD2 4.34Å; L989-L994 HydrophobicContact CD1-CD2 4.25Å; L989-F1012 HydrophobicContact CD1-CE1 4.37Å; L989-F1012 HydrophobicContact CD2-CE1 4.01Å; L989-F1012 HydrophobicContact CD2-CZ 3.71Å | ||
| 990 | D | 90.3 | Very high | 87.1 | Confident | 42 Ų | 42 | 37.7 Ų | 37.7 | 23% | 0.225 | 20% | 0.203 | C | C | . | . | trans | -101.2 | 100.8 | 173.4 | -170.5 | -31.5 | 0 | 0 | 0 | 110 | K992 L993 L994 Q1091 | D990-K992 VanDerWaalsContact C-N 3.28Å; D990-K992 PolarHBondContact O-N 3.12Å; D990-K992 WeakPolarHBondContact OD1-CB 3.44Å; D990-K992 PolarHBondContact OD1-N 3.33Å; D990-L993 HydrophobicContact CB-CB 4.19Å; D990-L993 HydrophobicContact CB-CD1 4.28Å; D990-L993 PolarHBondContact OD1-N 3.18Å; D990-L993 VanDerWaalsContact OD1-N 3.12Å; D990-L993 WeakPolarHBondContact OD2-CD1 3.32Å; D990-L994 WeakPolarHBondContact O-CB 3.5Å; D990-L994 PolarHBondContact O-N 3.29Å; D990-Q1091 PolarHBondContact O-NE2 2.92Å | ||
| 991 | L | 92.2 | Very high | 87.1 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.6 | -29.9 | -179.4 | -70 | 172.7 | 0 | 0 | 0 | 113.3 | I984 L989 L994 L995 F1012 V1016 W1032 I1036 | I984-L991 HydrophobicContact CD1-CD1 4.07Å; L989-L991 HydrophobicContact CD2-CD2 3.96Å; L989-L991 HydrophobicContact CD2-CG 4.38Å; L989-L991 HydrophobicContact CG-CD2 4.34Å; L991-L994 HydrophobicContact CD2-CD2 4.42Å; L991-L995 WeakPolarHBondContact O-CG 3.3Å; L991-L995 PolarHBondContact O-N 3.41Å; L991-F1012 HydrophobicContact CD2-CE1 3.91Å; L991-V1016 HydrophobicContact CD1-CB 4.47Å; L991-V1016 HydrophobicContact CD1-CG1 3.91Å; L991-W1032 HydrophobicContact CD1-CH2 4.14Å; L991-W1032 HydrophobicContact CD1-CZ2 4.27Å; L991-I1036 HydrophobicContact CB-CD1 3.91Å; L991-I1036 HydrophobicContact CB-CG1 4.49Å; L991-I1036 HydrophobicContact CD1-CD1 4.06Å |
| 992 | K | 89.2 | Confident | 87 | Confident | 69 Ų | 69 | 34.5 Ų | 34.5 | 30% | 0.3 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -68.1 | -54.1 | 180 | -170.7 | -164.9 | 175.7 | -170 | 0 | 108.9 | D990 L994 L995 V996 L1039 | D990-K992 VanDerWaalsContact C-N 3.28Å; D990-K992 PolarHBondContact O-N 3.12Å; D990-K992 WeakPolarHBondContact OD1-CB 3.44Å; D990-K992 PolarHBondContact OD1-N 3.33Å; K992-L994 VanDerWaalsContact C-N 3.31Å; K992-L994 PolarHBondContact O-N 2.88Å; K992-L995 PolarHBondContact O-N 2.91Å; K992-V996 PolarHBondContact O-N 3.35Å; K992-L1039 HydrophobicContact CB-CD1 4.31Å; K992-L1039 HydrophobicContact CG-CD1 3.41Å; K992-L1039 VanDerWaalsContact CG-CD1 3.41Å |
| 993 | L | 90.5 | Very high | 86.9 | Confident | 24 Ų | 24 | 33.9 Ų | 33.9 | 13% | 0.126 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.2 | -35.7 | 177.8 | -74.5 | 170.4 | 0 | 0 | 0 | 112.1 | D990 L995 V996 E997 A1085 | D990-L993 HydrophobicContact CB-CB 4.19Å; D990-L993 HydrophobicContact CB-CD1 4.28Å; D990-L993 PolarHBondContact OD1-N 3.18Å; D990-L993 VanDerWaalsContact OD1-N 3.12Å; D990-L993 WeakPolarHBondContact OD2-CD1 3.32Å; L993-L995 VanDerWaalsContact C-N 3.34Å; L993-L995 PolarHBondContact O-N 2.92Å; L993-V996 PolarHBondContact O-N 3.31Å; L993-E997 WeakPolarHBondContact O-CB 3.17Å; L993-E997 PolarHBondContact O-N 3.38Å; L993-A1085 HydrophobicContact CD1-CB 4.44Å; L993-A1085 HydrophobicContact CD2-CB 3.57Å |
| 994 | L | 93.9 | Very high | 87 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.1 | -39.5 | 178.3 | -176.8 | 68.3 | 0 | 0 | 0 | 112.5 | L951 L989 D990 L991 K992 A998 V1009 F1012 Q1091 L1092 | L951-L994 HydrophobicContact CD1-CD1 4.02Å; L951-L994 HydrophobicContact CD1-CD2 3.99Å; L951-L994 HydrophobicContact CD2-CD1 4.47Å; L989-L994 HydrophobicContact CD1-CD2 4.25Å; D990-L994 WeakPolarHBondContact O-CB 3.5Å; D990-L994 PolarHBondContact O-N 3.29Å; L991-L994 HydrophobicContact CD2-CD2 4.42Å; K992-L994 VanDerWaalsContact C-N 3.31Å; K992-L994 PolarHBondContact O-N 2.88Å; L994-A998 WeakPolarHBondContact O-CB 3.45Å; L994-A998 PolarHBondContact O-N 2.84Å; L994-V1009 HydrophobicContact CD1-CG2 4.33Å; L994-V1009 HydrophobicContact CD2-CG1 4.01Å; L994-V1009 HydrophobicContact CG-CG1 3.75Å; L994-V1009 HydrophobicContact CG-CG2 4.31Å; L994-F1012 HydrophobicContact CD2-CD1 3.93Å; L994-F1012 HydrophobicContact CD2-CE1 3.76Å; L994-Q1091 HydrophobicContact CD1-CB 3.8Å; L994-L1092 HydrophobicContact CD1-CD1 4.07Å; L994-L1092 HydrophobicContact CD1-CD2 3.78Å; L994-L1092 HydrophobicContact CD1-CG 3.67Å |
| 995 | L | 94 | Very high | 87 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.3 | -41.7 | 177.1 | -74.9 | 167.7 | 0 | 0 | 0 | 111.9 | L991 K992 L993 A998 F999 V1009 I1010 A1013 I1036 L1039 L1040 L1043 | L991-L995 WeakPolarHBondContact O-CG 3.3Å; L991-L995 PolarHBondContact O-N 3.41Å; K992-L995 PolarHBondContact O-N 2.91Å; L993-L995 VanDerWaalsContact C-N 3.34Å; L993-L995 PolarHBondContact O-N 2.92Å; L995-A998 PolarHBondContact O-N 3.36Å; L995-F999 PolarHBondContact O-N 3.24Å; L995-V1009 HydrophobicContact CD2-CG1 3.96Å; L995-I1010 HydrophobicContact CD2-CG1 4.43Å; L995-A1013 HydrophobicContact CD2-CB 4.13Å; L995-I1036 HydrophobicContact CD1-CG2 4.07Å; L995-L1039 HydrophobicContact CD1-CB 4.2Å; L995-L1040 HydrophobicContact CD1-CD2 4.03Å; L995-L1040 HydrophobicContact CD1-CG 4.05Å; L995-L1040 HydrophobicContact CD2-CD2 3.74Å; L995-L1043 HydrophobicContact CB-CD1 4.37Å; L995-L1043 HydrophobicContact CD2-CD1 3.91Å |
| 996 | V | 90.9 | Very high | 87.5 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.7 | -45.6 | 176.4 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | K992 L993 A998 F999 V1000 L1039 A1082 M1083 | K992-V996 PolarHBondContact O-N 3.35Å; L993-V996 PolarHBondContact O-N 3.31Å; V996-A998 VanDerWaalsContact C-N 3.32Å; V996-A998 PolarHBondContact O-N 3.09Å; V996-F999 WeakPolarHBondContact O-CB 3.5Å; V996-F999 PolarHBondContact O-N 3.06Å; V996-F999 VanDerWaalsContact O-N 3.16Å; V996-V1000 WeakPolarHBondContact O-CG2 3.41Å; V996-V1000 PolarHBondContact O-N 2.98Å; V996-L1039 HydrophobicContact CG2-CD1 4.27Å; V996-L1039 HydrophobicContact CG2-CD2 4.25Å; V996-A1082 HydrophobicContact CG1-CB 4.33Å; V996-A1082 HydrophobicContact CG2-CB 4.36Å; V996-M1083 HydrophobicContact CG1-CG 4.05Å |
| 997 | E | 91.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 177.5 | -168.3 | -178.4 | 175.5 | 0 | 0 | 111.6 | L993 F999 V1000 R1001 C1086 H1090 Q1091 L1092 L1097 | L993-E997 WeakPolarHBondContact O-CB 3.17Å; L993-E997 PolarHBondContact O-N 3.38Å; E997-F999 VanDerWaalsContact C-N 3.33Å; E997-F999 PolarHBondContact O-N 3.13Å; E997-V1000 PolarHBondContact O-N 3.21Å; E997-R1001 HydrophobicContact CG-CG 4.47Å; E997-R1001 WeakPolarHBondContact O-CB 3.49Å; E997-R1001 WeakPolarHBondContact O-CG 3.35Å; E997-R1001 PolarHBondContact O-N 3.44Å; E997-R1001 IonicContact OE1-CZ 3.6Å; E997-R1001 IonicContact OE1-NE 2.67Å; E997-R1001 PolarHBondContact OE1-NE 2.95Å; E997-R1001 IonicContact OE1-NH2 3.23Å; E997-R1001 PolarHBondContact OE1-NH2 3.05Å; E997-C1086 HydrophobicContact CB-CB 4.29Å; E997-C1086 HydrophobicContact CG-CB 4.29Å; E997-H1090 IonicContact OE1-CE1 3.71Å; E997-H1090 IonicContact OE1-CG 3.39Å; E997-H1090 IonicContact OE1-ND1 3.7Å; E997-H1090 PolarHBondContact OE1-ND1 3.08Å; E997-Q1091 PolarHBondContact OE2-N 3.46Å; E997-L1092 HydrophobicContact CB-CD1 4.09Å; E997-L1092 HydrophobicContact CG-CB 4.38Å; E997-L1092 HydrophobicContact CG-CD1 4.03Å; E997-L1092 PolarHBondContact OE1-N 3.37Å; E997-L1092 PolarHBondContact OE2-N 3.37Å; E997-L1097 HydrophobicContact CG-CD2 4.2Å |
| 998 | A | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.5 | -38.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L994 L995 V996 R1001 G1002 E1005 L1006 V1009 L1092 | L994-A998 WeakPolarHBondContact O-CB 3.45Å; L994-A998 PolarHBondContact O-N 2.84Å; L995-A998 PolarHBondContact O-N 3.36Å; V996-A998 VanDerWaalsContact C-N 3.32Å; V996-A998 PolarHBondContact O-N 3.09Å; A998-R1001 PolarHBondContact O-N 3.04Å; A998-G1002 PolarHBondContact O-N 3.09Å; A998-E1005 HydrophobicContact CB-CB 4.18Å; A998-L1006 HydrophobicContact CB-CD2 3.73Å; A998-L1006 HydrophobicContact CB-CG 4.4Å; A998-V1009 HydrophobicContact CB-CB 3.8Å; A998-V1009 HydrophobicContact CB-CG1 3.92Å; A998-V1009 HydrophobicContact CB-CG2 3.81Å; A998-L1092 HydrophobicContact CB-CD1 3.81Å |
| 999 | F | 90.4 | Very high | 89.1 | Confident | 9 Ų | 9 | 21.3 Ų | 21.3 | 4% | 0.039 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 173.9 | 172.4 | -109.1 | 0 | 0 | 0 | 111.9 | L995 V996 E997 G1002 L1043 E1046 L1077 Y1078 K1104 | L995-F999 PolarHBondContact O-N 3.24Å; V996-F999 WeakPolarHBondContact O-CB 3.5Å; V996-F999 PolarHBondContact O-N 3.06Å; V996-F999 VanDerWaalsContact O-N 3.16Å; E997-F999 VanDerWaalsContact C-N 3.33Å; E997-F999 PolarHBondContact O-N 3.13Å; F999-G1002 PolarHBondContact O-N 2.93Å; F999-L1043 HydrophobicContact CB-CD2 4.2Å; F999-L1043 HydrophobicContact CD2-CD2 3.91Å; F999-L1043 HydrophobicContact CG-CD2 4.44Å; F999-E1046 HydrophobicContact CE2-CG 3.93Å; F999-L1077 HydrophobicContact CB-CD2 3.65Å; F999-L1077 HydrophobicContact CD1-CD2 3.48Å; F999-L1077 VanDerWaalsContact CD1-CD2 3.48Å; F999-L1077 HydrophobicContact CD2-CD2 3.44Å; F999-L1077 VanDerWaalsContact CD2-CD2 3.44Å; F999-L1077 HydrophobicContact CE1-CD2 3.85Å; F999-L1077 HydrophobicContact CE2-CD2 3.84Å; F999-L1077 HydrophobicContact CG-CD2 3.23Å; F999-L1077 HydrophobicContact CZ-CD2 4.01Å; F999-Y1078 HydrophobicContact CE1-CD1 4.4Å; F999-Y1078 AromaticContact CE1-CE1 3.96Å; F999-Y1078 HydrophobicContact CE1-CE1 3.96Å; F999-Y1078 AromaticContact CZ-CE1 3.96Å; F999-Y1078 HydrophobicContact CZ-CE1 3.96Å; F999-Y1078 HydrophobicContact CZ-CE2 4.32Å; F999-Y1078 AromaticContact CZ-CZ 3.7Å; F999-K1104 HydrophobicContact CE1-CD 4.1Å; F999-K1104 HydrophobicContact CZ-CD 4.29Å |
| 1000 | V | 86.5 | Confident | 89.3 | Confident | 7 Ų | 7 | 21.1 Ų | 21.1 | 4% | 0.042 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.6 | -41.2 | 177.9 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | V996 E997 G1002 M1083 L1097 K1100 V1101 | V996-V1000 WeakPolarHBondContact O-CG2 3.41Å; V996-V1000 PolarHBondContact O-N 2.98Å; E997-V1000 PolarHBondContact O-N 3.21Å; V1000-G1002 VanDerWaalsContact C-N 3.34Å; V1000-M1083 HydrophobicContact CG2-CE 3.61Å; V1000-M1083 HydrophobicContact CG2-CG 4.38Å; V1000-L1097 HydrophobicContact CG1-CD1 4.04Å; V1000-L1097 HydrophobicContact CG1-CD2 4.04Å; V1000-L1097 HydrophobicContact CG1-CG 4.01Å; V1000-K1100 HydrophobicContact CG1-CB 3.95Å; V1000-V1101 HydrophobicContact CG1-CB 4.47Å; V1000-V1101 HydrophobicContact CG1-CG2 3.77Å |
| 1001 | R | 83.9 | Confident | 89.5 | Confident | 26 Ų | 26 | 19.1 Ų | 19.1 | 10% | 0.098 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -71.5 | -27.7 | 178.7 | -72.7 | -175.9 | 177.7 | -86.3 | -5.9 | 113.1 | E997 A998 E1005 H1090 L1092 E1095 L1097 | E997-R1001 HydrophobicContact CG-CG 4.47Å; E997-R1001 WeakPolarHBondContact O-CB 3.49Å; E997-R1001 WeakPolarHBondContact O-CG 3.35Å; E997-R1001 PolarHBondContact O-N 3.44Å; E997-R1001 IonicContact OE1-CZ 3.6Å; E997-R1001 IonicContact OE1-NE 2.67Å; E997-R1001 PolarHBondContact OE1-NE 2.95Å; E997-R1001 IonicContact OE1-NH2 3.23Å; E997-R1001 PolarHBondContact OE1-NH2 3.05Å; A998-R1001 PolarHBondContact O-N 3.04Å; R1001-E1005 HydrophobicContact CB-CB 4.21Å; R1001-E1005 HydrophobicContact CB-CG 3.64Å; R1001-E1005 HydrophobicContact CG-CG 4.43Å; R1001-H1090 PolarHBondContact NH2-ND1 3.48Å; R1001-L1092 PolarHBondContact NE-O 2.9Å; R1001-L1092 PolarHBondContact NH2-O 3.46Å; R1001-E1095 PolarHBondContact NH1-O 3.33Å; R1001-E1095 PolarHBondContact NH2-O 2.87Å; R1001-L1097 HydrophobicContact CB-CD1 4.46Å; R1001-L1097 HydrophobicContact CG-CD1 3.23Å |
| 1002 | G | 83.7 | Confident | 89.7 | Confident | 23 Ų | 23 | 19 Ų | 19 | 24% | 0.237 | 10% | 0.096 | C | C | . | . | trans | 107.4 | -173.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | A998 F999 V1000 Q1004 E1005 L1006 | A998-G1002 PolarHBondContact O-N 3.09Å; F999-G1002 PolarHBondContact O-N 2.93Å; V1000-G1002 VanDerWaalsContact C-N 3.34Å; G1002-Q1004 VanDerWaalsContact C-N 3.27Å; G1002-Q1004 PolarHBondContact O-N 3.33Å; G1002-Q1004 VanDerWaalsContact O-N 3.08Å; G1002-E1005 PolarHBondContact O-N 2.9Å; G1002-E1005 VanDerWaalsContact O-N 3.11Å; G1002-L1006 PolarHBondContact O-N 3.33Å | ||
| 1003 | N | 80.5 | Confident | 90 | Very high | 55 Ų | 55 | 15.7 Ų | 15.7 | 29% | 0.294 | 8% | 0.081 | S | C | . | . | H | α-helix | trans | -59.5 | -26.3 | -166.5 | -89.4 | -32.6 | 0 | 0 | 0 | 116.2 | L1007 D1048 | N1003-L1007 WeakPolarHBondContact O-CD1 3.28Å; N1003-L1007 WeakPolarHBondContact O-CG 3.49Å; N1003-L1007 PolarHBondContact O-N 2.86Å; N1003-D1048 PolarHBondContact ND2-O 2.88Å; N1003-D1048 PolarHBondContact OD1-O 3.34Å |
| 1004 | Q | 80.6 | Confident | 90.3 | Very high | 109 Ų | 109 | 14.5 Ų | 14.5 | 51% | 0.509 | 8% | 0.075 | S | C | . | . | H | α-helix | trans | -68.1 | -42 | 176.9 | -75 | -165.6 | -17.5 | 0 | 0 | 111.9 | G1002 L1007 F1008 | G1002-Q1004 VanDerWaalsContact C-N 3.27Å; G1002-Q1004 PolarHBondContact O-N 3.33Å; G1002-Q1004 VanDerWaalsContact O-N 3.08Å; Q1004-L1007 WeakPolarHBondContact O-CB 3.45Å; Q1004-L1007 PolarHBondContact O-N 3.35Å; Q1004-F1008 WeakPolarHBondContact O-CD2 3.39Å |
| 1005 | E | 88.2 | Confident | 90.4 | Very high | 22 Ų | 22 | 16.3 Ų | 16.3 | 10% | 0.103 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -70.8 | -39.1 | 177 | -66.2 | -61.6 | 170.3 | 0 | 0 | 111.6 | K955 A998 R1001 G1002 L1007 F1008 V1009 L1092 | K955-E1005 WeakPolarHBondContact CE-OE2 3.29Å; A998-E1005 HydrophobicContact CB-CB 4.18Å; R1001-E1005 HydrophobicContact CB-CB 4.21Å; R1001-E1005 HydrophobicContact CB-CG 3.64Å; R1001-E1005 HydrophobicContact CG-CG 4.43Å; G1002-E1005 PolarHBondContact O-N 2.9Å; G1002-E1005 VanDerWaalsContact O-N 3.11Å; E1005-L1007 PolarHBondContact O-N 3.14Å; E1005-L1007 VanDerWaalsContact O-N 3.13Å; E1005-F1008 PolarHBondContact O-N 2.9Å; E1005-V1009 PolarHBondContact O-N 3.43Å; E1005-L1092 HydrophobicContact CB-CD1 4.3Å; E1005-L1092 HydrophobicContact CG-CD1 4.48Å |
| 1006 | L | 91.1 | Very high | 90.5 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -56.6 | -30.8 | 175.9 | -68.1 | 175.4 | 0 | 0 | 0 | 112.8 | A998 G1002 F1008 I1010 L1043 V1049 L1053 | A998-L1006 HydrophobicContact CB-CD2 3.73Å; A998-L1006 HydrophobicContact CB-CG 4.4Å; G1002-L1006 PolarHBondContact O-N 3.33Å; L1006-F1008 PolarHBondContact O-N 3.24Å; L1006-I1010 HydrophobicContact CB-CD1 4.25Å; L1006-I1010 HydrophobicContact CD2-CD1 4.05Å; L1006-I1010 HydrophobicContact CD2-CG1 4.2Å; L1006-I1010 WeakPolarHBondContact O-CB 3.36Å; L1006-I1010 PolarHBondContact O-N 3.21Å; L1006-I1010 VanDerWaalsContact O-N 3.12Å; L1006-L1043 HydrophobicContact CD1-CD2 4.31Å; L1006-L1043 HydrophobicContact CD2-CD1 4.32Å; L1006-L1043 HydrophobicContact CD2-CD2 3.93Å; L1006-V1049 HydrophobicContact CD1-CG2 4.05Å; L1006-L1053 HydrophobicContact CB-CD1 4.04Å |
| 1007 | L | 86.3 | Confident | 90.7 | Very high | 19 Ų | 19 | 16.1 Ų | 16.1 | 10% | 0.099 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.2 | -27.5 | 175.8 | -79.3 | 155.1 | 0 | 0 | 0 | 113.7 | R963 N1003 Q1004 E1005 P1011 R1050 L1053 | R963-L1007 PolarHBondContact NE-O 2.55Å; N1003-L1007 WeakPolarHBondContact O-CD1 3.28Å; N1003-L1007 WeakPolarHBondContact O-CG 3.49Å; N1003-L1007 PolarHBondContact O-N 2.86Å; Q1004-L1007 WeakPolarHBondContact O-CB 3.45Å; Q1004-L1007 PolarHBondContact O-N 3.35Å; E1005-L1007 PolarHBondContact O-N 3.14Å; E1005-L1007 VanDerWaalsContact O-N 3.13Å; L1007-P1011 WeakPolarHBondContact O-CD 3.33Å; L1007-P1011 WeakPolarHBondContact O-CG 3.4Å; L1007-R1050 VanDerWaalsContact CD1-NH1 3.33Å; L1007-L1053 HydrophobicContact CD2-CD1 4.38Å; L1007-L1053 HydrophobicContact CD2-CD2 4.3Å; L1007-L1053 HydrophobicContact CG-CD1 4.35Å |
| 1008 | F | 90.1 | Very high | 90.8 | Very high | 26 Ų | 26 | 17.5 Ų | 17.5 | 11% | 0.114 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -95.9 | -45.4 | 178.5 | -70.9 | -102.7 | 0 | 0 | 0 | 111 | K955 D962 R963 L966 Q1004 E1005 L1006 F1012 | K955-F1008 HydrophobicContact CB-CE2 4.29Å; K955-F1008 HydrophobicContact CG-CD2 3.79Å; K955-F1008 HydrophobicContact CG-CE2 3.68Å; K955-F1008 HydrophobicContact CG-CG 4.35Å; K955-F1008 HydrophobicContact CG-CZ 4.12Å; D962-F1008 HydrophobicContact CB-CE1 4.36Å; R963-F1008 HydrophobicContact CB-CD1 3.88Å; R963-F1008 HydrophobicContact CB-CE1 3.68Å; R963-F1008 HydrophobicContact CB-CZ 4.3Å; R963-F1008 HydrophobicContact CG-CD1 4.22Å; R963-F1008 HydrophobicContact CG-CE1 4.41Å; L966-F1008 HydrophobicContact CD2-CB 4.05Å; Q1004-F1008 WeakPolarHBondContact O-CD2 3.39Å; E1005-F1008 PolarHBondContact O-N 2.9Å; L1006-F1008 PolarHBondContact O-N 3.24Å; F1008-F1012 VanDerWaalsContact O-CB 3.28Å; F1008-F1012 WeakPolarHBondContact O-CB 3.47Å; F1008-F1012 PolarHBondContact O-N 3.35Å |
| 1009 | V | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -72.9 | -45.7 | -171.8 | 175.5 | 0 | 0 | 0 | 0 | 113 | L951 L994 L995 A998 E1005 F1012 A1013 L1092 | L951-V1009 HydrophobicContact CD2-CG2 4.32Å; L994-V1009 HydrophobicContact CD1-CG2 4.33Å; L994-V1009 HydrophobicContact CD2-CG1 4.01Å; L994-V1009 HydrophobicContact CG-CG1 3.75Å; L994-V1009 HydrophobicContact CG-CG2 4.31Å; L995-V1009 HydrophobicContact CD2-CG1 3.96Å; A998-V1009 HydrophobicContact CB-CB 3.8Å; A998-V1009 HydrophobicContact CB-CG1 3.92Å; A998-V1009 HydrophobicContact CB-CG2 3.81Å; E1005-V1009 PolarHBondContact O-N 3.43Å; V1009-F1012 WeakPolarHBondContact O-CB 3.41Å; V1009-F1012 PolarHBondContact O-N 3.36Å; V1009-A1013 WeakPolarHBondContact O-CB 3.46Å; V1009-A1013 PolarHBondContact O-N 3.48Å; V1009-L1092 HydrophobicContact CG2-CD1 4.1Å; V1009-L1092 HydrophobicContact CG2-CD2 3.77Å |
| 1010 | I | 95.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.1 | -51.4 | -178.8 | -69.1 | 176.8 | 0 | 0 | 0 | 111 | L995 L1006 F1012 A1013 V1014 L1040 L1043 V1049 L1053 V1057 | L995-I1010 HydrophobicContact CD2-CG1 4.43Å; L1006-I1010 HydrophobicContact CB-CD1 4.25Å; L1006-I1010 HydrophobicContact CD2-CD1 4.05Å; L1006-I1010 HydrophobicContact CD2-CG1 4.2Å; L1006-I1010 WeakPolarHBondContact O-CB 3.36Å; L1006-I1010 PolarHBondContact O-N 3.21Å; L1006-I1010 VanDerWaalsContact O-N 3.12Å; I1010-F1012 VanDerWaalsContact C-N 3.25Å; I1010-F1012 PolarHBondContact O-N 2.93Å; I1010-A1013 PolarHBondContact O-N 3.34Å; I1010-V1014 HydrophobicContact CG2-CG2 4.21Å; I1010-V1014 WeakPolarHBondContact O-CB 3.26Å; I1010-V1014 VanDerWaalsContact O-CG2 3.3Å; I1010-V1014 WeakPolarHBondContact O-CG2 3.49Å; I1010-V1014 PolarHBondContact O-N 3.39Å; I1010-L1040 HydrophobicContact CG2-CD2 4.47Å; I1010-L1043 HydrophobicContact CD1-CB 4.47Å; I1010-L1043 HydrophobicContact CD1-CD1 4.2Å; I1010-L1043 HydrophobicContact CG1-CD1 4.31Å; I1010-V1049 HydrophobicContact CD1-CG1 4.26Å; I1010-L1053 HydrophobicContact CB-CD2 4.41Å; I1010-L1053 HydrophobicContact CD1-CB 4.07Å; I1010-L1053 HydrophobicContact CD1-CD1 4.18Å; I1010-L1053 HydrophobicContact CG2-CB 4.26Å; I1010-V1057 HydrophobicContact CG2-CG2 4.01Å |
| 1011 | P | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.1 | -30.6 | 179 | -23.2 | 36.5 | 0 | 0 | 0 | 113.1 | K967 L1007 K1015 L1053 | K967-P1011 HydrophobicContact CD-CB 3.59Å; K967-P1011 HydrophobicContact CG-CB 3.73Å; L1007-P1011 WeakPolarHBondContact O-CD 3.33Å; L1007-P1011 WeakPolarHBondContact O-CG 3.4Å; P1011-K1015 WeakPolarHBondContact O-CB 3.31Å; P1011-K1015 WeakPolarHBondContact O-CG 3.43Å; P1011-K1015 PolarHBondContact O-N 2.89Å; P1011-K1015 VanDerWaalsContact O-N 3.16Å; P1011-L1053 HydrophobicContact CG-CD2 3.78Å |
| 1012 | F | 96.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.9 | -54.2 | 173.3 | 166.4 | -108.5 | 0 | 0 | 0 | 111.8 | I947 L966 L989 L991 L994 F1008 V1009 I1010 V1014 K1015 V1016 | I947-F1012 HydrophobicContact CD1-CE2 3.84Å; I947-F1012 HydrophobicContact CD1-CZ 4.03Å; I947-F1012 HydrophobicContact CG1-CE2 4.09Å; I947-F1012 HydrophobicContact CG1-CZ 4.43Å; I947-F1012 HydrophobicContact CG2-CE1 4.4Å; I947-F1012 HydrophobicContact CG2-CE2 4.01Å; I947-F1012 HydrophobicContact CG2-CZ 3.67Å; L966-F1012 HydrophobicContact CD1-CD2 3.93Å; L966-F1012 HydrophobicContact CD1-CE2 4.24Å; L966-F1012 HydrophobicContact CD1-CG 4.32Å; L966-F1012 HydrophobicContact CD2-CB 3.88Å; L966-F1012 HydrophobicContact CD2-CG 4.19Å; L966-F1012 HydrophobicContact CG-CB 3.89Å; L966-F1012 HydrophobicContact CG-CD2 3.76Å; L966-F1012 HydrophobicContact CG-CG 3.93Å; L966-F1012 WeakPolarHBondContact O-CD2 3.32Å; L989-F1012 HydrophobicContact CD1-CE1 4.37Å; L989-F1012 HydrophobicContact CD2-CE1 4.01Å; L989-F1012 HydrophobicContact CD2-CZ 3.71Å; L991-F1012 HydrophobicContact CD2-CE1 3.91Å; L994-F1012 HydrophobicContact CD2-CD1 3.93Å; L994-F1012 HydrophobicContact CD2-CE1 3.76Å; F1008-F1012 VanDerWaalsContact O-CB 3.28Å; F1008-F1012 WeakPolarHBondContact O-CB 3.47Å; F1008-F1012 PolarHBondContact O-N 3.35Å; V1009-F1012 WeakPolarHBondContact O-CB 3.41Å; V1009-F1012 PolarHBondContact O-N 3.36Å; I1010-F1012 VanDerWaalsContact C-N 3.25Å; I1010-F1012 PolarHBondContact O-N 2.93Å; F1012-V1014 VanDerWaalsContact C-N 3.34Å; F1012-V1014 PolarHBondContact O-N 2.99Å; F1012-K1015 PolarHBondContact O-N 2.95Å; F1012-K1015 VanDerWaalsContact O-N 3.11Å; F1012-V1016 HydrophobicContact CD2-CG2 4.42Å; F1012-V1016 HydrophobicContact CE1-CG2 4.5Å; F1012-V1016 HydrophobicContact CE2-CG2 3.99Å; F1012-V1016 HydrophobicContact CZ-CG2 4.03Å; F1012-V1016 WeakPolarHBondContact O-CG2 3.33Å; F1012-V1016 PolarHBondContact O-N 3.41Å |
| 1013 | A | 96.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L995 V1009 I1010 K1015 V1016 M1017 | L995-A1013 HydrophobicContact CD2-CB 4.13Å; V1009-A1013 WeakPolarHBondContact O-CB 3.46Å; V1009-A1013 PolarHBondContact O-N 3.48Å; I1010-A1013 PolarHBondContact O-N 3.34Å; A1013-K1015 VanDerWaalsContact C-N 3.32Å; A1013-K1015 PolarHBondContact O-N 3.32Å; A1013-V1016 PolarHBondContact O-N 3.21Å; A1013-V1016 VanDerWaalsContact O-N 3.17Å; A1013-M1017 VanDerWaalsContact O-CG 3.25Å; A1013-M1017 WeakPolarHBondContact O-CG 3.41Å; A1013-M1017 PolarHBondContact O-N 3.26Å |
| 1014 | V | 96.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.1 | -47.9 | 173.9 | 163.4 | 0 | 0 | 0 | 0 | 110.9 | I1010 F1012 V1016 M1017 E1018 L1040 E1056 V1057 L1060 | I1010-V1014 HydrophobicContact CG2-CG2 4.21Å; I1010-V1014 WeakPolarHBondContact O-CB 3.26Å; I1010-V1014 VanDerWaalsContact O-CG2 3.3Å; I1010-V1014 WeakPolarHBondContact O-CG2 3.49Å; I1010-V1014 PolarHBondContact O-N 3.39Å; F1012-V1014 VanDerWaalsContact C-N 3.34Å; F1012-V1014 PolarHBondContact O-N 2.99Å; V1014-V1016 VanDerWaalsContact C-N 3.32Å; V1014-V1016 PolarHBondContact O-N 3.27Å; V1014-M1017 PolarHBondContact O-N 2.97Å; V1014-M1017 VanDerWaalsContact O-N 3.13Å; V1014-E1018 WeakPolarHBondContact O-CG 3.26Å; V1014-E1018 PolarHBondContact O-N 3.47Å; V1014-L1040 HydrophobicContact CG2-CD1 4.47Å; V1014-E1056 HydrophobicContact CG1-CB 4.48Å; V1014-E1056 HydrophobicContact CG2-CB 4.36Å; V1014-V1057 HydrophobicContact CG2-CG2 4.42Å; V1014-L1060 HydrophobicContact CG1-CB 4.04Å; V1014-L1060 HydrophobicContact CG2-CB 4.48Å; V1014-L1060 HydrophobicContact CG2-CD2 4.2Å |
| 1015 | K | 95.7 | Very high | 90 | Very high | 37 Ų | 37 | 27.4 Ų | 27.4 | 16% | 0.161 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.2 | -31.3 | -180 | -72.6 | -70.8 | 163.6 | -148.8 | 0 | 113.8 | K967 H971 P1011 F1012 A1013 E1018 | K967-K1015 HydrophobicContact CB-CG 4.27Å; K967-K1015 HydrophobicContact CG-CG 4.46Å; H971-K1015 WeakPolarHBondContact CA-O 3.21Å; H971-K1015 HydrophobicContact CB-CB 4.21Å; H971-K1015 HydrophobicContact CB-CD 4.32Å; P1011-K1015 WeakPolarHBondContact O-CB 3.31Å; P1011-K1015 WeakPolarHBondContact O-CG 3.43Å; P1011-K1015 PolarHBondContact O-N 2.89Å; P1011-K1015 VanDerWaalsContact O-N 3.16Å; F1012-K1015 PolarHBondContact O-N 2.95Å; F1012-K1015 VanDerWaalsContact O-N 3.11Å; A1013-K1015 VanDerWaalsContact C-N 3.32Å; A1013-K1015 PolarHBondContact O-N 3.32Å; K1015-E1018 WeakPolarHBondContact CD-OE2 3.43Å; K1015-E1018 IonicContact NZ-OE1 3.59Å; K1015-E1018 PolarHBondContact NZ-OE1 3.19Å; K1015-E1018 IonicContact NZ-OE2 2.66Å; K1015-E1018 PolarHBondContact NZ-OE2 2.91Å; K1015-E1018 VanDerWaalsContact NZ-OE2 3.08Å |
| 1016 | V | 95.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.5 | -45.9 | 170.9 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | G970 L973 I978 I984 L991 F1012 A1013 V1014 E1018 A1019 | G970-V1016 WeakPolarHBondContact O-CA 3.43Å; G970-V1016 WeakPolarHBondContact O-CG2 3.04Å; L973-V1016 HydrophobicContact CD2-CG2 4.45Å; I978-V1016 HydrophobicContact CD1-CG1 3.8Å; I984-V1016 HydrophobicContact CD1-CG1 3.59Å; L991-V1016 HydrophobicContact CD1-CB 4.47Å; L991-V1016 HydrophobicContact CD1-CG1 3.91Å; F1012-V1016 HydrophobicContact CD2-CG2 4.42Å; F1012-V1016 HydrophobicContact CE1-CG2 4.5Å; F1012-V1016 HydrophobicContact CE2-CG2 3.99Å; F1012-V1016 HydrophobicContact CZ-CG2 4.03Å; F1012-V1016 WeakPolarHBondContact O-CG2 3.33Å; F1012-V1016 PolarHBondContact O-N 3.41Å; A1013-V1016 PolarHBondContact O-N 3.21Å; A1013-V1016 VanDerWaalsContact O-N 3.17Å; V1014-V1016 VanDerWaalsContact C-N 3.32Å; V1014-V1016 PolarHBondContact O-N 3.27Å; V1016-E1018 VanDerWaalsContact C-N 3.32Å; V1016-E1018 PolarHBondContact O-N 3.03Å; V1016-A1019 WeakPolarHBondContact O-CB 3.15Å; V1016-A1019 PolarHBondContact O-N 2.97Å |
| 1017 | M | 94.7 | Very high | 89 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71.2 | -20.6 | -175.8 | -66 | -62 | -73.7 | 0 | 0 | 114 | A1013 V1014 A1019 C1020 W1032 T1033 I1036 L1037 L1060 | A1013-M1017 VanDerWaalsContact O-CG 3.25Å; A1013-M1017 WeakPolarHBondContact O-CG 3.41Å; A1013-M1017 PolarHBondContact O-N 3.26Å; V1014-M1017 PolarHBondContact O-N 2.97Å; V1014-M1017 VanDerWaalsContact O-N 3.13Å; M1017-A1019 PolarHBondContact O-N 3.25Å; M1017-C1020 VanDerWaalsContact O-CB 3.27Å; M1017-C1020 WeakPolarHBondContact O-CB 3.32Å; M1017-C1020 PolarHBondContact O-N 3.38Å; M1017-W1032 HydrophobicContact SD-CH2 4.27Å; M1017-W1032 HydrophobicContact SD-CZ3 4.15Å; M1017-T1033 HydrophobicContact CE-CG2 3.75Å; M1017-I1036 HydrophobicContact CE-CB 3.99Å; M1017-I1036 HydrophobicContact CE-CG2 3.94Å; M1017-I1036 HydrophobicContact CG-CG2 4.11Å; M1017-I1036 HydrophobicContact SD-CB 4.36Å; M1017-I1036 HydrophobicContact SD-CD1 4.15Å; M1017-I1036 HydrophobicContact SD-CG2 3.91Å; M1017-L1037 HydrophobicContact CE-CD2 4.38Å; M1017-L1037 HydrophobicContact CE-CG 4.17Å; M1017-L1060 HydrophobicContact CB-CD1 3.82Å; M1017-L1060 HydrophobicContact CB-CD2 3.73Å; M1017-L1060 HydrophobicContact CB-CG 4.41Å; M1017-L1060 HydrophobicContact CG-CD2 4.46Å |
| 1018 | E | 93.9 | Very high | 88.3 | Confident | 29 Ų | 29 | 30.2 Ų | 30.2 | 14% | 0.136 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -54.8 | -27.3 | 172.9 | -72.8 | -174.8 | 166.5 | 0 | 0 | 112.6 | H971 V1014 K1015 V1016 C1020 L1060 L1063 | H971-E1018 IonicContact CD2-OE2 2.88Å; V1014-E1018 WeakPolarHBondContact O-CG 3.26Å; V1014-E1018 PolarHBondContact O-N 3.47Å; K1015-E1018 WeakPolarHBondContact CD-OE2 3.43Å; K1015-E1018 IonicContact NZ-OE1 3.59Å; K1015-E1018 PolarHBondContact NZ-OE1 3.19Å; K1015-E1018 IonicContact NZ-OE2 2.66Å; K1015-E1018 PolarHBondContact NZ-OE2 2.91Å; K1015-E1018 VanDerWaalsContact NZ-OE2 3.08Å; V1016-E1018 VanDerWaalsContact C-N 3.32Å; V1016-E1018 PolarHBondContact O-N 3.03Å; E1018-C1020 VanDerWaalsContact C-N 3.27Å; E1018-C1020 PolarHBondContact O-N 3.14Å; E1018-L1060 HydrophobicContact CG-CD1 4.13Å; E1018-L1063 HydrophobicContact CB-CD2 3.64Å; E1018-L1063 HydrophobicContact CG-CD2 3.59Å |
| 1019 | A | 91.9 | Very high | 87.3 | Confident | 6 Ų | 6 | 38 Ų | 38 | 5% | 0.05 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -71.2 | -16.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G974 I978 V1016 M1017 H1021 Q1022 S1023 | G974-A1019 WeakPolarHBondContact O-CB 3.43Å; I978-A1019 HydrophobicContact CB-CB 4.02Å; I978-A1019 HydrophobicContact CG2-CB 4.12Å; V1016-A1019 WeakPolarHBondContact O-CB 3.15Å; V1016-A1019 PolarHBondContact O-N 2.97Å; M1017-A1019 PolarHBondContact O-N 3.25Å; A1019-H1021 PolarHBondContact O-N 2.98Å; A1019-Q1022 WeakPolarHBondContact O-CB 3.4Å; A1019-Q1022 PolarHBondContact O-N 3.29Å; A1019-S1023 PolarHBondContact O-N 3.23Å |
| 1020 | C | 89.1 | Confident | 86.2 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -58.5 | -29.9 | 175.4 | -74.5 | 0 | 0 | 0 | 0 | 112.2 | M1017 E1018 Q1022 S1023 F1026 T1033 L1064 | M1017-C1020 VanDerWaalsContact O-CB 3.27Å; M1017-C1020 WeakPolarHBondContact O-CB 3.32Å; M1017-C1020 PolarHBondContact O-N 3.38Å; E1018-C1020 VanDerWaalsContact C-N 3.27Å; E1018-C1020 PolarHBondContact O-N 3.14Å; C1020-Q1022 PolarHBondContact O-N 3.18Å; C1020-S1023 PolarHBondContact O-N 3.46Å; C1020-S1023 VanDerWaalsContact O-N 3.16Å; C1020-F1026 VanDerWaalsContact CB-O 3.31Å; C1020-F1026 WeakPolarHBondContact CB-O 3.48Å; C1020-F1026 PolarHBondContact SG-O 2.78Å; C1020-F1026 VanDerWaalsContact SG-O 3.36Å; C1020-T1033 HydrophobicContact CB-CG2 4.43Å; C1020-L1064 HydrophobicContact CB-CD1 4.35Å; C1020-L1064 HydrophobicContact CB-CD2 3.67Å |
| 1021 | H | 85.9 | Confident | 85.1 | Confident | 111 Ų | 111 | 44 Ų | 44 | 51% | 0.514 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -63.5 | -25.8 | 175.9 | 122.9 | 66.9 | 0 | 0 | 0 | 112.7 | A1019 L1063 L1064 | A1019-H1021 PolarHBondContact O-N 2.98Å; H1021-L1063 HydrophobicContact CB-CG 4.43Å; H1021-L1064 HydrophobicContact CB-CD2 3.92Å |
| 1022 | Q | 82.1 | Confident | 84.6 | Confident | 85 Ų | 85 | 48.5 Ų | 48.5 | 40% | 0.397 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -91.9 | -12.1 | -179.7 | -60.7 | 172.8 | 15.3 | 0 | 0 | 112.2 | A1019 C1020 | A1019-Q1022 WeakPolarHBondContact O-CB 3.4Å; A1019-Q1022 PolarHBondContact O-N 3.29Å; C1020-Q1022 PolarHBondContact O-N 3.18Å |
| 1023 | S | 84.1 | Confident | 84.1 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | trans | -97 | 137.3 | -177.9 | -172.9 | 0 | 0 | 0 | 0 | 111.3 | I978 N981 A1019 C1020 V1025 F1026 | I978-S1023 VanDerWaalsContact O-CB 3.24Å; I978-S1023 WeakPolarHBondContact O-CB 3.49Å; I978-S1023 PolarHBondContact O-OG 2.91Å; N981-S1023 WeakPolarHBondContact OD1-CA 3.35Å; N981-S1023 WeakPolarHBondContact OD1-CB 3.23Å; N981-S1023 PolarHBondContact OD1-OG 3.12Å; A1019-S1023 PolarHBondContact O-N 3.23Å; C1020-S1023 PolarHBondContact O-N 3.46Å; C1020-S1023 VanDerWaalsContact O-N 3.16Å; S1023-V1025 PolarHBondContact OG-N 3.07Å; S1023-F1026 WeakPolarHBondContact OG-CD2 2.9Å; S1023-F1026 PolarHBondContact OG-N 3.41Å | ||
| 1024 | H | 74.6 | Confident | 83.5 | Confident | 147 Ų | 147 | 50.7 Ų | 50.7 | 68% | 0.681 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -91 | -24 | 168.4 | 59 | -86.7 | 0 | 0 | 0 | 111.9 | N981 | N981-H1024 PolarHBondContact ND2-CE1 3.07Å; N981-H1024 PolarHBondContact ND2-ND1 2.83Å; N981-H1024 PolarHBondContact OD1-N 3.43Å; N981-H1024 PolarHBondContact OD1-ND1 3.44Å |
| 1025 | V | 73.1 | Confident | 82.8 | Confident | 75 Ų | 75 | 53 Ų | 53 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -79.2 | -52.5 | 176.5 | 177.7 | 0 | 0 | 0 | 0 | 111 | N981 S1023 S1027 S1030 | N981-V1025 HydrophobicContact CB-CB 4.1Å; N981-V1025 HydrophobicContact CB-CG2 3.78Å; N981-V1025 PolarHBondContact OD1-N 3.33Å; S1023-V1025 PolarHBondContact OG-N 3.07Å; V1025-S1027 PolarHBondContact O-N 3.5Å; V1025-S1027 VanDerWaalsContact O-N 3.08Å; V1025-S1030 WeakPolarHBondContact O-CB 3.2Å |
| 1026 | F | 83.8 | Confident | 82.5 | Confident | 20 Ų | 20 | 51.4 Ų | 51.4 | 9% | 0.088 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -87.7 | 43.5 | 178.7 | -55.2 | -72.5 | 0 | 0 | 0 | 111.8 | I978 P983 C1020 S1023 W1032 T1033 | I978-F1026 HydrophobicContact CB-CD2 4.28Å; I978-F1026 HydrophobicContact CG2-CB 3.71Å; I978-F1026 HydrophobicContact CG2-CD2 3.86Å; I978-F1026 HydrophobicContact CG2-CG 4.01Å; P983-F1026 VanDerWaalsContact CA-CZ 3.46Å; P983-F1026 HydrophobicContact CB-CE1 4.3Å; P983-F1026 HydrophobicContact CB-CZ 3.77Å; C1020-F1026 VanDerWaalsContact CB-O 3.31Å; C1020-F1026 WeakPolarHBondContact CB-O 3.48Å; C1020-F1026 PolarHBondContact SG-O 2.78Å; C1020-F1026 VanDerWaalsContact SG-O 3.36Å; S1023-F1026 WeakPolarHBondContact OG-CD2 2.9Å; S1023-F1026 PolarHBondContact OG-N 3.41Å; F1026-W1032 AromaticContact CD1-CE3 3.89Å; F1026-W1032 HydrophobicContact CD1-CE3 3.89Å; F1026-W1032 HydrophobicContact CD1-CZ3 4.3Å; F1026-W1032 HydrophobicContact CE1-CE3 4.47Å; F1026-T1033 PolarHBondContact O-OG1 3.48Å |
| 1027 | S | 73.8 | Confident | 82.2 | Confident | 41 Ų | 41 | 51.4 Ų | 51.4 | 29% | 0.287 | 26% | 0.262 | S | S | . | . | trans | -67.7 | 167.1 | 172.8 | 70.5 | 0 | 0 | 0 | 0 | 110.6 | V1025 R1029 S1030 T1033 | V1025-S1027 PolarHBondContact O-N 3.5Å; V1025-S1027 VanDerWaalsContact O-N 3.08Å; S1027-R1029 PolarHBondContact O-N 3.38Å; S1027-S1030 WeakPolarHBondContact O-CB 3.43Å; S1027-S1030 PolarHBondContact O-N 3.23Å; S1027-S1030 PolarHBondContact O-OG 3.39Å; S1027-S1030 VanDerWaalsContact O-OG 3.13Å; S1027-T1033 WeakPolarHBondContact O-CB 3.38Å | ||
| 1028 | T | 73 | Confident | 81.9 | Confident | 43 Ų | 43 | 54 Ų | 54 | 26% | 0.264 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -12.4 | 179.3 | 52.5 | 0 | 0 | 0 | 0 | 114.3 | T1034 L1037 L1064 V1066 | T1028-T1034 PolarHBondContact O-OG1 2.91Å; T1028-T1034 VanDerWaalsContact O-OG1 3.13Å; T1028-L1037 HydrophobicContact CG2-CD1 4.44Å; T1028-L1064 HydrophobicContact CG2-CB 3.74Å; T1028-L1064 HydrophobicContact CG2-CD1 4.32Å; T1028-L1064 HydrophobicContact CG2-CG 4.48Å; T1028-V1066 HydrophobicContact CG2-CG2 3.32Å |
| 1029 | R | 67.6 | Low | 81.7 | Confident | 188 Ų | 188 | 52.6 Ų | 52.6 | 71% | 0.709 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -7.7 | 176.7 | -53.4 | -175.1 | -162.1 | -159.8 | 3.3 | 113.4 | S1027 | S1027-R1029 PolarHBondContact O-N 3.38Š|
| 1030 | S | 72.2 | Confident | 81.8 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 12% | 0.119 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -71.6 | 133.1 | 177.6 | 80.5 | 0 | 0 | 0 | 0 | 108.8 | V1025 S1027 W1032 T1033 T1034 | V1025-S1030 WeakPolarHBondContact O-CB 3.2Å; S1027-S1030 WeakPolarHBondContact O-CB 3.43Å; S1027-S1030 PolarHBondContact O-N 3.23Å; S1027-S1030 PolarHBondContact O-OG 3.39Å; S1027-S1030 VanDerWaalsContact O-OG 3.13Å; S1030-W1032 PolarHBondContact O-N 3.01Å; S1030-T1033 PolarHBondContact O-N 3.46Å; S1030-T1033 VanDerWaalsContact O-N 3.13Å; S1030-T1033 WeakPolarHBondContact OG-CB 3.14Å; S1030-T1033 PolarHBondContact OG-N 3.15Å; S1030-T1033 PolarHBondContact OG-OG1 3.17Å; S1030-T1034 WeakPolarHBondContact O-CB 3.42Å; S1030-T1034 PolarHBondContact O-N 3.19Å; S1030-T1034 PolarHBondContact O-OG1 3.28Å |
| 1031 | P | 72.3 | Confident | 81.8 | Confident | 112 Ų | 112 | 52.3 Ų | 52.3 | 73% | 0.727 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -54.8 | -37.6 | -177.2 | -28.6 | 34.9 | 0 | 0 | 0 | 113 | T1034 C1035 | P1031-T1034 PolarHBondContact O-N 3.01Å; P1031-C1035 WeakPolarHBondContact O-CB 3.41Å; P1031-C1035 PolarHBondContact O-N 3.42Å |
| 1032 | W | 83.4 | Confident | 81.9 | Confident | 93 Ų | 93 | 47.4 Ų | 47.4 | 35% | 0.352 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.4 | -51.1 | 176.3 | -176.4 | 87.8 | 0 | 0 | 0 | 112.5 | I978 I984 L991 M1017 F1026 S1030 T1034 C1035 I1036 | I978-W1032 HydrophobicContact CD1-CH2 3.78Å; I978-W1032 HydrophobicContact CD1-CZ3 3.93Å; I978-W1032 HydrophobicContact CG1-CH2 4.49Å; I984-W1032 HydrophobicContact CD1-CH2 4.38Å; L991-W1032 HydrophobicContact CD1-CH2 4.14Å; L991-W1032 HydrophobicContact CD1-CZ2 4.27Å; M1017-W1032 HydrophobicContact SD-CH2 4.27Å; M1017-W1032 HydrophobicContact SD-CZ3 4.15Å; F1026-W1032 AromaticContact CD1-CE3 3.89Å; F1026-W1032 HydrophobicContact CD1-CE3 3.89Å; F1026-W1032 HydrophobicContact CD1-CZ3 4.3Å; F1026-W1032 HydrophobicContact CE1-CE3 4.47Å; S1030-W1032 PolarHBondContact O-N 3.01Å; W1032-T1034 PolarHBondContact O-N 3.34Å; W1032-C1035 PolarHBondContact O-N 2.94Å; W1032-I1036 HydrophobicContact CD2-CD1 4.05Å; W1032-I1036 HydrophobicContact CE3-CD1 4.18Å; W1032-I1036 HydrophobicContact CH2-CD1 3.56Å; W1032-I1036 HydrophobicContact CZ2-CD1 3.42Å; W1032-I1036 VanDerWaalsContact CZ2-CD1 3.42Å; W1032-I1036 HydrophobicContact CZ3-CD1 3.95Å; W1032-I1036 PolarHBondContact O-N 3.16Å |
| 1033 | T | 85.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.3 | -41.4 | 177.6 | -61.9 | 0 | 0 | 0 | 0 | 111.5 | M1017 C1020 F1026 S1027 S1030 C1035 I1036 L1037 | M1017-T1033 HydrophobicContact CE-CG2 3.75Å; C1020-T1033 HydrophobicContact CB-CG2 4.43Å; F1026-T1033 PolarHBondContact O-OG1 3.48Å; S1027-T1033 WeakPolarHBondContact O-CB 3.38Å; S1030-T1033 PolarHBondContact O-N 3.46Å; S1030-T1033 VanDerWaalsContact O-N 3.13Å; S1030-T1033 WeakPolarHBondContact OG-CB 3.14Å; S1030-T1033 PolarHBondContact OG-N 3.15Å; S1030-T1033 PolarHBondContact OG-OG1 3.17Å; T1033-C1035 VanDerWaalsContact C-N 3.34Å; T1033-C1035 PolarHBondContact O-N 3.09Å; T1033-I1036 PolarHBondContact O-N 3.37Å; T1033-L1037 HydrophobicContact CG2-CD1 3.83Å; T1033-L1037 HydrophobicContact CG2-CG 4.3Å; T1033-L1037 WeakPolarHBondContact O-CB 3.21Å; T1033-L1037 WeakPolarHBondContact O-CG 3.41Å; T1033-L1037 PolarHBondContact O-N 3.13Å |
| 1034 | T | 83.4 | Confident | 82.6 | Confident | 46 Ų | 46 | 44.5 Ų | 44.5 | 28% | 0.282 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.8 | -42.4 | -179.5 | -50.6 | 0 | 0 | 0 | 0 | 110.9 | T1028 S1030 P1031 W1032 L1037 R1038 F1071 | T1028-T1034 PolarHBondContact O-OG1 2.91Å; T1028-T1034 VanDerWaalsContact O-OG1 3.13Å; S1030-T1034 WeakPolarHBondContact O-CB 3.42Å; S1030-T1034 PolarHBondContact O-N 3.19Å; S1030-T1034 PolarHBondContact O-OG1 3.28Å; P1031-T1034 PolarHBondContact O-N 3.01Å; W1032-T1034 PolarHBondContact O-N 3.34Å; T1034-L1037 PolarHBondContact O-N 3.4Å; T1034-R1038 WeakPolarHBondContact O-CB 3.41Å; T1034-R1038 PolarHBondContact O-N 2.85Å; T1034-F1071 HydrophobicContact CG2-CD1 4.38Å; T1034-F1071 HydrophobicContact CG2-CE1 3.82Å |
| 1035 | C | 82.4 | Confident | 83 | Confident | 48 Ų | 48 | 42.7 Ų | 42.7 | 32% | 0.324 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 178.6 | -177.3 | 0 | 0 | 0 | 0 | 112.5 | P1031 W1032 T1033 R1038 L1039 | P1031-C1035 WeakPolarHBondContact O-CB 3.41Å; P1031-C1035 PolarHBondContact O-N 3.42Å; W1032-C1035 PolarHBondContact O-N 2.94Å; T1033-C1035 VanDerWaalsContact C-N 3.34Å; T1033-C1035 PolarHBondContact O-N 3.09Å; C1035-R1038 PolarHBondContact O-N 3.2Å; C1035-L1039 PolarHBondContact O-N 3.23Å |
| 1036 | I | 90.2 | Very high | 83.6 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.7 | -41.3 | 178.3 | -62.6 | 169.2 | 0 | 0 | 0 | 111.1 | L991 L995 M1017 W1032 T1033 R1038 L1039 L1040 | L991-I1036 HydrophobicContact CB-CD1 3.91Å; L991-I1036 HydrophobicContact CB-CG1 4.49Å; L991-I1036 HydrophobicContact CD1-CD1 4.06Å; L995-I1036 HydrophobicContact CD1-CG2 4.07Å; M1017-I1036 HydrophobicContact CE-CB 3.99Å; M1017-I1036 HydrophobicContact CE-CG2 3.94Å; M1017-I1036 HydrophobicContact CG-CG2 4.11Å; M1017-I1036 HydrophobicContact SD-CB 4.36Å; M1017-I1036 HydrophobicContact SD-CD1 4.15Å; M1017-I1036 HydrophobicContact SD-CG2 3.91Å; W1032-I1036 HydrophobicContact CD2-CD1 4.05Å; W1032-I1036 HydrophobicContact CE3-CD1 4.18Å; W1032-I1036 HydrophobicContact CH2-CD1 3.56Å; W1032-I1036 HydrophobicContact CZ2-CD1 3.42Å; W1032-I1036 VanDerWaalsContact CZ2-CD1 3.42Å; W1032-I1036 HydrophobicContact CZ3-CD1 3.95Å; W1032-I1036 PolarHBondContact O-N 3.16Å; T1033-I1036 PolarHBondContact O-N 3.37Å; I1036-R1038 VanDerWaalsContact C-N 3.3Å; I1036-R1038 PolarHBondContact O-N 3.38Å; I1036-L1039 PolarHBondContact O-N 3.26Å; I1036-L1040 HydrophobicContact CG2-CD1 4.34Å; I1036-L1040 WeakPolarHBondContact O-CG 3.33Å; I1036-L1040 PolarHBondContact O-N 2.96Å; I1036-L1040 VanDerWaalsContact O-N 3.08Å |
| 1037 | L | 89.6 | Confident | 83 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.7 | -38.2 | 176.2 | -74 | 175.3 | 0 | 0 | 0 | 112 | M1017 T1028 T1033 T1034 L1040 C1041 L1060 L1064 F1071 | M1017-L1037 HydrophobicContact CE-CD2 4.38Å; M1017-L1037 HydrophobicContact CE-CG 4.17Å; T1028-L1037 HydrophobicContact CG2-CD1 4.44Å; T1033-L1037 HydrophobicContact CG2-CD1 3.83Å; T1033-L1037 HydrophobicContact CG2-CG 4.3Å; T1033-L1037 WeakPolarHBondContact O-CB 3.21Å; T1033-L1037 WeakPolarHBondContact O-CG 3.41Å; T1033-L1037 PolarHBondContact O-N 3.13Å; T1034-L1037 PolarHBondContact O-N 3.4Å; L1037-L1040 PolarHBondContact O-N 3.5Å; L1037-C1041 PolarHBondContact O-N 3.15Å; L1037-C1041 PolarHBondContact O-SG 3.35Å; L1037-L1060 HydrophobicContact CD2-CD2 3.73Å; L1037-L1060 HydrophobicContact CD2-CG 4.29Å; L1037-L1064 HydrophobicContact CD1-CD1 3.92Å; L1037-L1064 HydrophobicContact CD2-CD1 3.84Å; L1037-L1064 HydrophobicContact CG-CD1 4.43Å; L1037-F1071 HydrophobicContact CB-CE1 3.85Å; L1037-F1071 HydrophobicContact CB-CE2 4.32Å; L1037-F1071 HydrophobicContact CB-CZ 3.69Å; L1037-F1071 HydrophobicContact CD1-CZ 3.89Å; L1037-F1071 HydrophobicContact CG-CZ 4.44Å |
| 1038 | R | 87.7 | Confident | 83.1 | Confident | 53 Ų | 53 | 48.1 Ų | 48.1 | 20% | 0.2 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.4 | -51.3 | 175.4 | -165.2 | 178.4 | -159.8 | 167.4 | 6.2 | 111.1 | T1034 C1035 I1036 L1040 C1041 E1042 F1071 A1072 E1074 | T1034-R1038 WeakPolarHBondContact O-CB 3.41Å; T1034-R1038 PolarHBondContact O-N 2.85Å; C1035-R1038 PolarHBondContact O-N 3.2Å; I1036-R1038 VanDerWaalsContact C-N 3.3Å; I1036-R1038 PolarHBondContact O-N 3.38Å; R1038-L1040 VanDerWaalsContact C-N 3.3Å; R1038-L1040 PolarHBondContact O-N 3.48Å; R1038-C1041 CarbonylContact O-C 3.37Å; R1038-C1041 WeakPolarHBondContact O-CB 3.46Å; R1038-C1041 PolarHBondContact O-N 3.43Å; R1038-E1042 WeakPolarHBondContact O-CG 3.49Å; R1038-E1042 PolarHBondContact O-N 2.91Å; R1038-F1071 HydrophobicContact CB-CD1 4.16Å; R1038-F1071 HydrophobicContact CG-CB 4.41Å; R1038-A1072 PolarHBondContact NE-O 2.82Å; R1038-A1072 PolarHBondContact NH2-O 3.21Å; R1038-E1074 VanDerWaalsContact CZ-CD 3.48Å; R1038-E1074 IonicContact CZ-OE1 3.64Å; R1038-E1074 IonicContact CZ-OE2 3.98Å; R1038-E1074 VanDerWaalsContact NH1-CD 3.26Å; R1038-E1074 IonicContact NH1-OE1 3.26Å; R1038-E1074 PolarHBondContact NH1-OE1 3.34Å; R1038-E1074 IonicContact NH1-OE2 3.63Å; R1038-E1074 PolarHBondContact NH1-OE2 3.38Å; R1038-E1074 VanDerWaalsContact NH2-CB 3.35Å; R1038-E1074 IonicContact NH2-OE1 2.73Å; R1038-E1074 PolarHBondContact NH2-OE1 3.35Å; R1038-E1074 IonicContact NH2-OE2 3.22Å; R1038-E1074 PolarHBondContact NH2-OE2 2.98Å |
| 1039 | L | 90.4 | Very high | 83.5 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59 | -38.6 | 176.4 | -75.3 | 172.7 | 0 | 0 | 0 | 113.1 | K992 L995 V996 C1035 I1036 C1041 L1043 S1076 L1077 | K992-L1039 HydrophobicContact CB-CD1 4.31Å; K992-L1039 HydrophobicContact CG-CD1 3.41Å; K992-L1039 VanDerWaalsContact CG-CD1 3.41Å; L995-L1039 HydrophobicContact CD1-CB 4.2Å; V996-L1039 HydrophobicContact CG2-CD1 4.27Å; V996-L1039 HydrophobicContact CG2-CD2 4.25Å; C1035-L1039 PolarHBondContact O-N 3.23Å; I1036-L1039 PolarHBondContact O-N 3.26Å; L1039-C1041 VanDerWaalsContact C-N 3.34Å; L1039-L1043 WeakPolarHBondContact O-CB 3.48Å; L1039-L1043 WeakPolarHBondContact O-CG 3.44Å; L1039-L1043 PolarHBondContact O-N 2.65Å; L1039-S1076 WeakPolarHBondContact CD2-OG 3.2Å; L1039-L1077 HydrophobicContact CD2-CD1 3.95Å; L1039-L1077 HydrophobicContact CD2-CG 4.01Å |
| 1040 | L | 93 | Very high | 84 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.4 | -35.4 | 175.2 | -72.4 | 171.9 | 0 | 0 | 0 | 112.4 | L995 I1010 V1014 I1036 L1037 R1038 H1044 V1057 L1060 | L995-L1040 HydrophobicContact CD1-CD2 4.03Å; L995-L1040 HydrophobicContact CD1-CG 4.05Å; L995-L1040 HydrophobicContact CD2-CD2 3.74Å; I1010-L1040 HydrophobicContact CG2-CD2 4.47Å; V1014-L1040 HydrophobicContact CG2-CD1 4.47Å; I1036-L1040 HydrophobicContact CG2-CD1 4.34Å; I1036-L1040 WeakPolarHBondContact O-CG 3.33Å; I1036-L1040 PolarHBondContact O-N 2.96Å; I1036-L1040 VanDerWaalsContact O-N 3.08Å; L1037-L1040 PolarHBondContact O-N 3.5Å; R1038-L1040 VanDerWaalsContact C-N 3.3Å; R1038-L1040 PolarHBondContact O-N 3.48Å; L1040-H1044 PolarHBondContact O-N 3.01Å; L1040-V1057 HydrophobicContact CB-CG1 4.07Å; L1040-V1057 HydrophobicContact CB-CG2 4.27Å; L1040-V1057 HydrophobicContact CD2-CG2 4.28Å; L1040-L1060 HydrophobicContact CD1-CD2 3.74Å |
| 1041 | C | 89.6 | Confident | 84.3 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.02 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.5 | -41.6 | 175.5 | -65 | 0 | 0 | 0 | 0 | 111.4 | L1037 R1038 L1039 L1043 H1044 E1045 I1068 F1071 | L1037-C1041 PolarHBondContact O-N 3.15Å; L1037-C1041 PolarHBondContact O-SG 3.35Å; R1038-C1041 CarbonylContact O-C 3.37Å; R1038-C1041 WeakPolarHBondContact O-CB 3.46Å; R1038-C1041 PolarHBondContact O-N 3.43Å; L1039-C1041 VanDerWaalsContact C-N 3.34Å; C1041-L1043 PolarHBondContact O-N 2.96Å; C1041-H1044 WeakPolarHBondContact O-CA 3.48Å; C1041-H1044 VanDerWaalsContact O-CB 3.29Å; C1041-H1044 WeakPolarHBondContact O-CB 3.38Å; C1041-H1044 PolarHBondContact O-N 2.91Å; C1041-E1045 PolarHBondContact O-N 3.44Å; C1041-E1045 VanDerWaalsContact O-N 3.14Å; C1041-I1068 HydrophobicContact CB-CG2 4.04Å; C1041-F1071 HydrophobicContact CB-CB 4.21Å |
| 1042 | E | 88.7 | Confident | 84.7 | Confident | 9 Ų | 9 | 48.1 Ų | 48.1 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 173.1 | -67.5 | -173.1 | 170.2 | 0 | 0 | 110.7 | R1038 H1044 E1045 E1046 T1073 E1074 S1076 L1077 | R1038-E1042 WeakPolarHBondContact O-CG 3.49Å; R1038-E1042 PolarHBondContact O-N 2.91Å; E1042-H1044 PolarHBondContact O-N 2.94Å; E1042-E1045 PolarHBondContact O-N 3.03Å; E1042-E1046 PolarHBondContact O-N 3.36Å; E1042-E1046 VanDerWaalsContact O-N 3.17Å; E1042-T1073 HydrophobicContact CG-CG2 4Å; E1042-E1074 PolarHBondContact OE1-N 3.12Å; E1042-E1074 VanDerWaalsContact OE1-N 3.15Å; E1042-S1076 PolarHBondContact OE1-N 2.99Å; E1042-S1076 PolarHBondContact OE1-OG 3.34Å; E1042-S1076 PolarHBondContact OE2-N 3.33Å; E1042-S1076 VanDerWaalsContact OE2-N 3.11Å; E1042-S1076 PolarHBondContact OE2-OG 3.11Å; E1042-L1077 HydrophobicContact CB-CD1 3.21Å; E1042-L1077 HydrophobicContact CG-CD1 4.33Å; E1042-L1077 PolarHBondContact OE2-N 3.42Å |
| 1043 | L | 90 | Very high | 85 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -27.1 | 170.8 | -83.5 | 167.7 | 0 | 0 | 0 | 113.8 | L995 F999 L1006 I1010 L1039 C1041 E1045 V1049 L1077 | L995-L1043 HydrophobicContact CB-CD1 4.37Å; L995-L1043 HydrophobicContact CD2-CD1 3.91Å; F999-L1043 HydrophobicContact CB-CD2 4.2Å; F999-L1043 HydrophobicContact CD2-CD2 3.91Å; F999-L1043 HydrophobicContact CG-CD2 4.44Å; L1006-L1043 HydrophobicContact CD1-CD2 4.31Å; L1006-L1043 HydrophobicContact CD2-CD1 4.32Å; L1006-L1043 HydrophobicContact CD2-CD2 3.93Å; I1010-L1043 HydrophobicContact CD1-CB 4.47Å; I1010-L1043 HydrophobicContact CD1-CD1 4.2Å; I1010-L1043 HydrophobicContact CG1-CD1 4.31Å; L1039-L1043 WeakPolarHBondContact O-CB 3.48Å; L1039-L1043 WeakPolarHBondContact O-CG 3.44Å; L1039-L1043 PolarHBondContact O-N 2.65Å; C1041-L1043 PolarHBondContact O-N 2.96Å; L1043-E1045 VanDerWaalsContact C-N 3.33Å; L1043-V1049 HydrophobicContact CD2-CG2 4.34Å; L1043-V1049 WeakPolarHBondContact O-CG2 3.35Å; L1043-L1077 HydrophobicContact CD2-CD2 3.75Å; L1043-L1077 HydrophobicContact CG-CD1 4.02Å; L1043-L1077 HydrophobicContact CG-CD2 3.96Å |
| 1044 | H | 90.4 | Very high | 85 | Confident | 33 Ų | 33 | 45.3 Ų | 45.3 | 15% | 0.153 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.1 | -32.7 | 174.4 | 174.5 | -76.9 | 0 | 0 | 0 | 111.1 | L1040 C1041 E1042 K1054 V1057 E1058 | L1040-H1044 PolarHBondContact O-N 3.01Å; C1041-H1044 WeakPolarHBondContact O-CA 3.48Å; C1041-H1044 VanDerWaalsContact O-CB 3.29Å; C1041-H1044 WeakPolarHBondContact O-CB 3.38Å; C1041-H1044 PolarHBondContact O-N 2.91Å; E1042-H1044 PolarHBondContact O-N 2.94Å; H1044-K1054 PolarHBondContact CD2-O 2.93Å; H1044-K1054 VanDerWaalsContact O-CD 3.24Å; H1044-K1054 WeakPolarHBondContact O-CD 3.48Å; H1044-K1054 WeakPolarHBondContact O-CE 3.27Å; H1044-K1054 PolarHBondContact O-NZ 3.06Å; H1044-V1057 HydrophobicContact CB-CG1 4.37Å; H1044-E1058 IonicContact CD2-OE1 3.71Å; H1044-E1058 IonicContact CE1-OE1 3.77Å; H1044-E1058 IonicContact NE2-OE1 2.9Å; H1044-E1058 PolarHBondContact NE2-OE1 2.96Å |
| 1045 | E | 83.4 | Confident | 85.1 | Confident | 109 Ų | 109 | 48.7 Ų | 48.7 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -76.4 | -29.2 | 177.5 | -65.4 | -169.9 | 165.9 | 0 | 0 | 112.7 | C1041 E1042 L1043 T1073 | C1041-E1045 PolarHBondContact O-N 3.44Å; C1041-E1045 VanDerWaalsContact O-N 3.14Å; E1042-E1045 PolarHBondContact O-N 3.03Å; L1043-E1045 VanDerWaalsContact C-N 3.33Å; E1045-T1073 WeakPolarHBondContact OE2-CG2 3.42Å |
| 1046 | E | 84.7 | Confident | 85.4 | Confident | 34 Ų | 34 | 48 Ų | 48 | 16% | 0.159 | 23% | 0.234 | C | C | . | . | trans | -52.6 | 126.5 | 178.2 | -77.1 | -61.2 | 138.2 | 0 | 0 | 113 | F999 E1042 D1048 V1049 K1054 Y1078 | F999-E1046 HydrophobicContact CE2-CG 3.93Å; E1042-E1046 PolarHBondContact O-N 3.36Å; E1042-E1046 VanDerWaalsContact O-N 3.17Å; E1046-D1048 PolarHBondContact O-N 3.13Å; E1046-V1049 HydrophobicContact CB-CB 4.47Å; E1046-V1049 HydrophobicContact CB-CG2 3.65Å; E1046-V1049 PolarHBondContact O-N 2.59Å; E1046-K1054 WeakPolarHBondContact O-CE 3.48Å; E1046-K1054 PolarHBondContact O-NZ 3.16Å; E1046-Y1078 PolarHBondContact OE1-OH 3.38Å | ||
| 1047 | P | 72 | Confident | 85.4 | Confident | 103 Ų | 103 | 47.9 Ų | 47.9 | 67% | 0.669 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -33.9 | -170.6 | 24.6 | -33 | 0 | 0 | 0 | 113 | V1049 | P1047-V1049 VanDerWaalsContact C-N 3.29Å; P1047-V1049 PolarHBondContact O-N 2.92Å |
| 1048 | D | 74.3 | Confident | 85.4 | Confident | 113 Ų | 113 | 50.7 Ų | 50.7 | 60% | 0.604 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -10.5 | -175.1 | -66 | -28.1 | 0 | 0 | 0 | 113.6 | N1003 E1046 R1050 | N1003-D1048 PolarHBondContact ND2-O 2.88Å; N1003-D1048 PolarHBondContact OD1-O 3.34Å; E1046-D1048 PolarHBondContact O-N 3.13Å; D1048-R1050 PolarHBondContact O-N 3.25Å |
| 1049 | V | 83 | Confident | 85.4 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 6% | 0.055 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -74 | 125.3 | -178.2 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | L1006 I1010 L1043 E1046 P1047 L1053 K1054 | L1006-V1049 HydrophobicContact CD1-CG2 4.05Å; I1010-V1049 HydrophobicContact CD1-CG1 4.26Å; L1043-V1049 HydrophobicContact CD2-CG2 4.34Å; L1043-V1049 WeakPolarHBondContact O-CG2 3.35Å; E1046-V1049 HydrophobicContact CB-CB 4.47Å; E1046-V1049 HydrophobicContact CB-CG2 3.65Å; E1046-V1049 PolarHBondContact O-N 2.59Å; P1047-V1049 VanDerWaalsContact C-N 3.29Å; P1047-V1049 PolarHBondContact O-N 2.92Å; V1049-L1053 HydrophobicContact CG1-CB 3.92Å; V1049-L1053 HydrophobicContact CG1-CD1 4.24Å; V1049-K1054 HydrophobicContact CG1-CG 4.18Å; V1049-K1054 WeakPolarHBondContact O-CE 3.32Å |
| 1050 | R | 77.6 | Confident | 85.4 | Confident | 134 Ų | 134 | 50.3 Ų | 50.3 | 51% | 0.506 | 25% | 0.25 | S | S | . | . | trans | -59.9 | 139.5 | -177 | -66.4 | -177.3 | -179.6 | -179.6 | 3.4 | 112.1 | L1007 D1048 N1052 L1053 K1054 | L1007-R1050 VanDerWaalsContact CD1-NH1 3.33Å; D1048-R1050 PolarHBondContact O-N 3.25Å; R1050-N1052 WeakPolarHBondContact CB-OD1 3.45Å; R1050-N1052 PolarHBondContact O-N 3.35Å; R1050-N1052 VanDerWaalsContact O-N 3.07Å; R1050-L1053 HydrophobicContact CB-CD1 4.47Å; R1050-L1053 HydrophobicContact CB-CG 4.48Å; R1050-L1053 WeakPolarHBondContact O-CB 3.27Å; R1050-L1053 PolarHBondContact O-N 3.01Å; R1050-K1054 PolarHBondContact O-N 3.02Å | ||
| 1051 | L | 78.7 | Confident | 85.1 | Confident | 143 Ų | 143 | 50.5 Ų | 50.5 | 75% | 0.749 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -53.8 | -33.8 | -175.7 | -173 | 67.5 | 0 | 0 | 0 | 114.4 | L1053 K1054 F1055 | L1051-L1053 VanDerWaalsContact C-N 3.29Å; L1051-L1053 PolarHBondContact O-N 3.4Å; L1051-K1054 PolarHBondContact O-N 3.38Å; L1051-F1055 PolarHBondContact O-N 3.32Å |
| 1052 | N | 79.4 | Confident | 84.8 | Confident | 73 Ų | 73 | 57.6 Ų | 57.6 | 39% | 0.39 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.2 | -28.8 | 177.5 | 64.2 | -29.2 | 0 | 0 | 0 | 113.3 | R1050 E1056 | R1050-N1052 WeakPolarHBondContact CB-OD1 3.45Å; R1050-N1052 PolarHBondContact O-N 3.35Å; R1050-N1052 VanDerWaalsContact O-N 3.07Å; N1052-E1056 WeakPolarHBondContact O-CG 3.45Å; N1052-E1056 PolarHBondContact O-N 2.98Å |
| 1053 | L | 89.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -75.7 | -42.1 | 174.9 | -56.6 | 179 | 0 | 0 | 0 | 110.5 | L1006 L1007 I1010 P1011 V1049 R1050 L1051 F1055 E1056 V1057 | L1006-L1053 HydrophobicContact CB-CD1 4.04Å; L1007-L1053 HydrophobicContact CD2-CD1 4.38Å; L1007-L1053 HydrophobicContact CD2-CD2 4.3Å; L1007-L1053 HydrophobicContact CG-CD1 4.35Å; I1010-L1053 HydrophobicContact CB-CD2 4.41Å; I1010-L1053 HydrophobicContact CD1-CB 4.07Å; I1010-L1053 HydrophobicContact CD1-CD1 4.18Å; I1010-L1053 HydrophobicContact CG2-CB 4.26Å; P1011-L1053 HydrophobicContact CG-CD2 3.78Å; V1049-L1053 HydrophobicContact CG1-CB 3.92Å; V1049-L1053 HydrophobicContact CG1-CD1 4.24Å; R1050-L1053 HydrophobicContact CB-CD1 4.47Å; R1050-L1053 HydrophobicContact CB-CG 4.48Å; R1050-L1053 WeakPolarHBondContact O-CB 3.27Å; R1050-L1053 PolarHBondContact O-N 3.01Å; L1051-L1053 VanDerWaalsContact C-N 3.29Å; L1051-L1053 PolarHBondContact O-N 3.4Å; L1053-F1055 VanDerWaalsContact C-N 3.26Å; L1053-F1055 PolarHBondContact O-N 3.07Å; L1053-E1056 PolarHBondContact O-N 3.41Å; L1053-E1056 VanDerWaalsContact O-N 3.11Å; L1053-V1057 PolarHBondContact O-N 3.37Å |
| 1054 | K | 87.7 | Confident | 84.4 | Confident | 34 Ų | 34 | 61.4 Ų | 61.4 | 15% | 0.148 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -54.8 | -43.9 | 171.5 | -59.5 | -165.2 | -178.3 | -148.2 | 0 | 111.2 | H1044 E1046 V1049 R1050 L1051 E1056 V1057 E1058 | H1044-K1054 PolarHBondContact CD2-O 2.93Å; H1044-K1054 VanDerWaalsContact O-CD 3.24Å; H1044-K1054 WeakPolarHBondContact O-CD 3.48Å; H1044-K1054 WeakPolarHBondContact O-CE 3.27Å; H1044-K1054 PolarHBondContact O-NZ 3.06Å; E1046-K1054 WeakPolarHBondContact O-CE 3.48Å; E1046-K1054 PolarHBondContact O-NZ 3.16Å; V1049-K1054 HydrophobicContact CG1-CG 4.18Å; V1049-K1054 WeakPolarHBondContact O-CE 3.32Å; R1050-K1054 PolarHBondContact O-N 3.02Å; L1051-K1054 PolarHBondContact O-N 3.38Å; K1054-E1056 PolarHBondContact O-N 2.94Å; K1054-V1057 PolarHBondContact O-N 3.14Å; K1054-E1058 PolarHBondContact O-N 3.43Å |
| 1055 | F | 84.3 | Confident | 84 | Confident | 118 Ų | 118 | 64.7 Ų | 64.7 | 52% | 0.518 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 177.1 | -170.6 | -96.4 | 0 | 0 | 0 | 113.7 | L1051 L1053 E1058 V1059 | L1051-F1055 PolarHBondContact O-N 3.32Å; L1053-F1055 VanDerWaalsContact C-N 3.26Å; L1053-F1055 PolarHBondContact O-N 3.07Å; F1055-E1058 PolarHBondContact O-N 3.34Å; F1055-V1059 HydrophobicContact CD1-CG2 3.95Å; F1055-V1059 HydrophobicContact CE1-CG2 3.61Å; F1055-V1059 HydrophobicContact CZ-CG2 4.04Å; F1055-V1059 VanDerWaalsContact O-CG2 3.29Å; F1055-V1059 WeakPolarHBondContact O-CG2 3.36Å; F1055-V1059 PolarHBondContact O-N 3.38Å |
| 1056 | E | 88.9 | Confident | 83.7 | Confident | 33 Ų | 33 | 60.8 Ų | 60.8 | 15% | 0.154 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.6 | -40 | 175.9 | -68.3 | -95.5 | -157.9 | 0 | 0 | 111.3 | K967 V1014 N1052 L1053 K1054 V1059 L1060 | K967-E1056 IonicContact NZ-OE1 2.72Å; K967-E1056 PolarHBondContact NZ-OE1 3.38Å; K967-E1056 IonicContact NZ-OE2 2.69Å; V1014-E1056 HydrophobicContact CG1-CB 4.48Å; V1014-E1056 HydrophobicContact CG2-CB 4.36Å; N1052-E1056 WeakPolarHBondContact O-CG 3.45Å; N1052-E1056 PolarHBondContact O-N 2.98Å; L1053-E1056 PolarHBondContact O-N 3.41Å; L1053-E1056 VanDerWaalsContact O-N 3.11Å; K1054-E1056 PolarHBondContact O-N 2.94Å; E1056-V1059 PolarHBondContact O-N 2.92Å; E1056-L1060 PolarHBondContact O-N 3.38Å |
| 1057 | V | 91.1 | Very high | 83.2 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 174.3 | 179 | 0 | 0 | 0 | 0 | 111.1 | I1010 V1014 L1040 H1044 L1053 K1054 V1059 L1060 C1061 | I1010-V1057 HydrophobicContact CG2-CG2 4.01Å; V1014-V1057 HydrophobicContact CG2-CG2 4.42Å; L1040-V1057 HydrophobicContact CB-CG1 4.07Å; L1040-V1057 HydrophobicContact CB-CG2 4.27Å; L1040-V1057 HydrophobicContact CD2-CG2 4.28Å; H1044-V1057 HydrophobicContact CB-CG1 4.37Å; L1053-V1057 PolarHBondContact O-N 3.37Å; K1054-V1057 PolarHBondContact O-N 3.14Å; V1057-V1059 VanDerWaalsContact C-N 3.3Å; V1057-V1059 PolarHBondContact O-N 2.98Å; V1057-L1060 WeakPolarHBondContact O-CB 3.37Å; V1057-L1060 PolarHBondContact O-N 2.91Å; V1057-L1060 VanDerWaalsContact O-N 3.14Å; V1057-C1061 PolarHBondContact O-N 3.47Å; V1057-C1061 PolarHBondContact O-SG 3.12Å |
| 1058 | E | 89.8 | Confident | 83.4 | Confident | 60 Ų | 60 | 57.8 Ų | 57.8 | 28% | 0.28 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.1 | -38 | 176.8 | -73.7 | 175 | -159 | 0 | 0 | 113.1 | H1044 K1054 F1055 R1062 I1068 | H1044-E1058 IonicContact CD2-OE1 3.71Å; H1044-E1058 IonicContact CE1-OE1 3.77Å; H1044-E1058 IonicContact NE2-OE1 2.9Å; H1044-E1058 PolarHBondContact NE2-OE1 2.96Å; K1054-E1058 PolarHBondContact O-N 3.43Å; F1055-E1058 PolarHBondContact O-N 3.34Å; E1058-R1062 WeakPolarHBondContact O-CB 3.4Å; E1058-R1062 PolarHBondContact O-N 3.02Å; E1058-R1062 IonicContact OE2-NH2 2.75Å; E1058-R1062 PolarHBondContact OE2-NH2 3.08Å; E1058-I1068 HydrophobicContact CB-CD1 4.48Å; E1058-I1068 HydrophobicContact CG-CD1 3.62Å |
| 1059 | V | 86.1 | Confident | 83.2 | Confident | 46 Ų | 46 | 58.5 Ų | 58.5 | 28% | 0.279 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 176 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | F1055 E1056 V1057 R1062 L1063 | F1055-V1059 HydrophobicContact CD1-CG2 3.95Å; F1055-V1059 HydrophobicContact CE1-CG2 3.61Å; F1055-V1059 HydrophobicContact CZ-CG2 4.04Å; F1055-V1059 VanDerWaalsContact O-CG2 3.29Å; F1055-V1059 WeakPolarHBondContact O-CG2 3.36Å; F1055-V1059 PolarHBondContact O-N 3.38Å; E1056-V1059 PolarHBondContact O-N 2.92Å; V1057-V1059 VanDerWaalsContact C-N 3.3Å; V1057-V1059 PolarHBondContact O-N 2.98Å; V1059-R1062 PolarHBondContact O-N 3.37Å; V1059-L1063 WeakPolarHBondContact O-CB 3.37Å; V1059-L1063 PolarHBondContact O-N 3.34Å |
| 1060 | L | 91.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.8 | -50.9 | 173.4 | 179.6 | 65.6 | 0 | 0 | 0 | 111.9 | V1014 M1017 E1018 L1037 L1040 E1056 V1057 R1062 L1063 L1064 | V1014-L1060 HydrophobicContact CG1-CB 4.04Å; V1014-L1060 HydrophobicContact CG2-CB 4.48Å; V1014-L1060 HydrophobicContact CG2-CD2 4.2Å; M1017-L1060 HydrophobicContact CB-CD1 3.82Å; M1017-L1060 HydrophobicContact CB-CD2 3.73Å; M1017-L1060 HydrophobicContact CB-CG 4.41Å; M1017-L1060 HydrophobicContact CG-CD2 4.46Å; E1018-L1060 HydrophobicContact CG-CD1 4.13Å; L1037-L1060 HydrophobicContact CD2-CD2 3.73Å; L1037-L1060 HydrophobicContact CD2-CG 4.29Å; L1040-L1060 HydrophobicContact CD1-CD2 3.74Å; E1056-L1060 PolarHBondContact O-N 3.38Å; V1057-L1060 WeakPolarHBondContact O-CB 3.37Å; V1057-L1060 PolarHBondContact O-N 2.91Å; V1057-L1060 VanDerWaalsContact O-N 3.14Å; L1060-R1062 VanDerWaalsContact C-N 3.26Å; L1060-R1062 PolarHBondContact O-N 3.11Å; L1060-L1063 WeakPolarHBondContact O-CB 3.42Å; L1060-L1063 PolarHBondContact O-N 3.4Å; L1060-L1064 HydrophobicContact CD1-CD1 3.91Å; L1060-L1064 HydrophobicContact CD1-CG 4.09Å; L1060-L1064 HydrophobicContact CG-CD1 4.05Å; L1060-L1064 HydrophobicContact CG-CG 4.45Å; L1060-L1064 WeakPolarHBondContact O-CG 3.32Å; L1060-L1064 PolarHBondContact O-N 3.13Å |
| 1061 | C | 86.8 | Confident | 81.8 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 3% | 0.027 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.6 | -39.6 | -179.9 | -67.1 | 0 | 0 | 0 | 0 | 111.2 | V1057 L1064 N1065 V1066 I1068 | V1057-C1061 PolarHBondContact O-N 3.47Å; V1057-C1061 PolarHBondContact O-SG 3.12Å; C1061-L1064 PolarHBondContact O-N 3.37Å; C1061-N1065 PolarHBondContact O-N 3.17Å; C1061-V1066 CarbonylContact C-O 3.58Å; C1061-V1066 WeakPolarHBondContact CB-O 3.45Å; C1061-V1066 PolarHBondContact O-N 3.05Å; C1061-V1066 VanDerWaalsContact O-O 3.13Å; C1061-I1068 HydrophobicContact CB-CG1 4.19Å |
| 1062 | R | 83.4 | Confident | 80.5 | Confident | 151 Ų | 151 | 54.8 Ų | 54.8 | 57% | 0.57 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.5 | -42.8 | 171.8 | -84.1 | -176.9 | -103.8 | 148.6 | -6 | 112.9 | E1058 V1059 L1060 L1064 N1065 | E1058-R1062 WeakPolarHBondContact O-CB 3.4Å; E1058-R1062 PolarHBondContact O-N 3.02Å; E1058-R1062 IonicContact OE2-NH2 2.75Å; E1058-R1062 PolarHBondContact OE2-NH2 3.08Å; V1059-R1062 PolarHBondContact O-N 3.37Å; L1060-R1062 VanDerWaalsContact C-N 3.26Å; L1060-R1062 PolarHBondContact O-N 3.11Å; R1062-L1064 VanDerWaalsContact C-N 3.33Å; R1062-N1065 PolarHBondContact O-N 3.23Å |
| 1063 | L | 85.2 | Confident | 78.8 | Confident | 75 Ų | 75 | 55 Ų | 55 | 39% | 0.393 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 177.4 | -178.9 | 68.7 | 0 | 0 | 0 | 112 | E1018 H1021 V1059 L1060 N1065 | E1018-L1063 HydrophobicContact CB-CD2 3.64Å; E1018-L1063 HydrophobicContact CG-CD2 3.59Å; H1021-L1063 HydrophobicContact CB-CG 4.43Å; V1059-L1063 WeakPolarHBondContact O-CB 3.37Å; V1059-L1063 PolarHBondContact O-N 3.34Å; L1060-L1063 WeakPolarHBondContact O-CB 3.42Å; L1060-L1063 PolarHBondContact O-N 3.4Å; L1063-N1065 VanDerWaalsContact C-N 3.3Å |
| 1064 | L | 84.3 | Confident | 76.8 | Confident | 15 Ų | 15 | 61.8 Ų | 61.8 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -84.1 | -4 | 179.7 | -62.1 | -177.1 | 0 | 0 | 0 | 113.8 | C1020 H1021 T1028 L1037 L1060 C1061 R1062 V1066 | C1020-L1064 HydrophobicContact CB-CD1 4.35Å; C1020-L1064 HydrophobicContact CB-CD2 3.67Å; H1021-L1064 HydrophobicContact CB-CD2 3.92Å; T1028-L1064 HydrophobicContact CG2-CB 3.74Å; T1028-L1064 HydrophobicContact CG2-CD1 4.32Å; T1028-L1064 HydrophobicContact CG2-CG 4.48Å; L1037-L1064 HydrophobicContact CD1-CD1 3.92Å; L1037-L1064 HydrophobicContact CD2-CD1 3.84Å; L1037-L1064 HydrophobicContact CG-CD1 4.43Å; L1060-L1064 HydrophobicContact CD1-CD1 3.91Å; L1060-L1064 HydrophobicContact CD1-CG 4.09Å; L1060-L1064 HydrophobicContact CG-CD1 4.05Å; L1060-L1064 HydrophobicContact CG-CG 4.45Å; L1060-L1064 WeakPolarHBondContact O-CG 3.32Å; L1060-L1064 PolarHBondContact O-N 3.13Å; C1061-L1064 PolarHBondContact O-N 3.37Å; R1062-L1064 VanDerWaalsContact C-N 3.33Å; L1064-V1066 HydrophobicContact CB-CG2 4.24Å |
| 1065 | N | 81.6 | Confident | 75.5 | Confident | 102 Ų | 102 | 65.2 Ų | 65.2 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 44.5 | -179.2 | -169.1 | 62.2 | 0 | 0 | 0 | 113.1 | C1061 R1062 L1063 R1549 | C1061-N1065 PolarHBondContact O-N 3.17Å; R1062-N1065 PolarHBondContact O-N 3.23Å; L1063-N1065 VanDerWaalsContact C-N 3.3Å; N1065-R1549 PolarHBondContact ND2-NH2 2.7Å; N1065-R1549 PolarHBondContact OD1-NH1 3.36Å |
| 1066 | V | 77.3 | Confident | 74.6 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 17% | 0.17 | 32% | 0.319 | C | S | . | . | trans | -122.8 | 147.7 | 173.6 | -161.7 | 0 | 0 | 0 | 0 | 109.4 | T1028 C1061 L1064 D1070 F1071 | T1028-V1066 HydrophobicContact CG2-CG2 3.32Å; C1061-V1066 CarbonylContact C-O 3.58Å; C1061-V1066 WeakPolarHBondContact CB-O 3.45Å; C1061-V1066 PolarHBondContact O-N 3.05Å; C1061-V1066 VanDerWaalsContact O-O 3.13Å; L1064-V1066 HydrophobicContact CB-CG2 4.24Å; V1066-D1070 HydrophobicContact CG1-CB 4.44Å; V1066-F1071 HydrophobicContact CB-CE2 4.2Å; V1066-F1071 HydrophobicContact CG1-CD2 4.38Å; V1066-F1071 HydrophobicContact CG1-CE2 3.37Å; V1066-F1071 HydrophobicContact CG1-CZ 3.76Å | ||
| 1067 | D | 74.5 | Confident | 73.9 | Confident | 49 Ų | 49 | 59.2 Ų | 59.2 | 26% | 0.262 | 31% | 0.312 | S | S | . | . | trans | -92.1 | 147.8 | 173.5 | -144.4 | -40.5 | 0 | 0 | 0 | 110.6 | I1069 D1070 K1550 | D1067-I1069 PolarHBondContact O-N 3.01Å; D1067-D1070 PolarHBondContact N-OD2 2.88Å; D1067-D1070 PolarHBondContact O-N 3.4Å; D1067-K1550 IonicContact OD2-NZ 2.75Å; D1067-K1550 PolarHBondContact OD2-NZ 3.26Å | ||
| 1068 | I | 76.5 | Confident | 73.1 | Confident | 24 Ų | 24 | 61.6 Ų | 61.6 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -65.1 | -33.7 | -179.9 | -65.4 | 174.1 | 0 | 0 | 0 | 109.9 | C1041 E1058 C1061 D1070 F1071 | C1041-I1068 HydrophobicContact CB-CG2 4.04Å; E1058-I1068 HydrophobicContact CB-CD1 4.48Å; E1058-I1068 HydrophobicContact CG-CD1 3.62Å; C1061-I1068 HydrophobicContact CB-CG1 4.19Å; I1068-D1070 PolarHBondContact O-N 3.34Å; I1068-F1071 PolarHBondContact O-N 3.29Å |
| 1069 | I | 70.2 | Confident | 72.1 | Confident | 128 Ų | 128 | 61.5 Ų | 61.5 | 66% | 0.656 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -66.3 | -21.2 | -178.2 | -52.5 | 171.4 | 0 | 0 | 0 | 112.1 | D1067 F1071 | D1067-I1069 PolarHBondContact O-N 3.01Å; I1069-F1071 PolarHBondContact O-N 2.99Å |
| 1070 | D | 65 | Low | 71.1 | Confident | 117 Ų | 117 | 64.2 Ų | 64.2 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -71.3 | -15.3 | -179.5 | -63.3 | -28.7 | 0 | 0 | 0 | 112.4 | V1066 D1067 I1068 | V1066-D1070 HydrophobicContact CG1-CB 4.44Å; D1067-D1070 PolarHBondContact N-OD2 2.88Å; D1067-D1070 PolarHBondContact O-N 3.4Å; I1068-D1070 PolarHBondContact O-N 3.34Å |
| 1071 | F | 66.5 | Low | 70.1 | Confident | 26 Ų | 26 | 69.3 Ų | 69.3 | 11% | 0.114 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -101.8 | 92.9 | 178.9 | -61.6 | -87 | 0 | 0 | 0 | 110 | T1034 L1037 R1038 C1041 V1066 I1068 I1069 | T1034-F1071 HydrophobicContact CG2-CD1 4.38Å; T1034-F1071 HydrophobicContact CG2-CE1 3.82Å; L1037-F1071 HydrophobicContact CB-CE1 3.85Å; L1037-F1071 HydrophobicContact CB-CE2 4.32Å; L1037-F1071 HydrophobicContact CB-CZ 3.69Å; L1037-F1071 HydrophobicContact CD1-CZ 3.89Å; L1037-F1071 HydrophobicContact CG-CZ 4.44Å; R1038-F1071 HydrophobicContact CB-CD1 4.16Å; R1038-F1071 HydrophobicContact CG-CB 4.41Å; C1041-F1071 HydrophobicContact CB-CB 4.21Å; V1066-F1071 HydrophobicContact CB-CE2 4.2Å; V1066-F1071 HydrophobicContact CG1-CD2 4.38Å; V1066-F1071 HydrophobicContact CG1-CE2 3.37Å; V1066-F1071 HydrophobicContact CG1-CZ 3.76Å; I1068-F1071 PolarHBondContact O-N 3.29Å; I1069-F1071 PolarHBondContact O-N 2.99Å |
| 1072 | A | 49.7 | Very low | 69.3 | Low | 66 Ų | 66 | 69.5 Ų | 69.5 | 55% | 0.545 | 36% | 0.361 | S | S | . | . | trans | -63.3 | 141.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1038 E1074 | R1038-A1072 PolarHBondContact NE-O 2.82Å; R1038-A1072 PolarHBondContact NH2-O 3.21Å; A1072-E1074 PolarHBondContact O-N 3.06Å | ||
| 1073 | T | 45.3 | Very low | 69 | Low | 78 Ų | 78 | 62.4 Ų | 62.4 | 48% | 0.479 | 33% | 0.334 | S | S | . | . | trans | -69.5 | 115.8 | 176.7 | 29.6 | 0 | 0 | 0 | 0 | 110.9 | E1042 E1045 | E1042-T1073 HydrophobicContact CG-CG2 4Å; E1045-T1073 WeakPolarHBondContact OE2-CG2 3.42Å | ||
| 1074 | E | 47.8 | Very low | 68.4 | Low | 142 Ų | 142 | 61.3 Ų | 61.3 | 66% | 0.664 | 33% | 0.329 | S | S | * | . | trans | -108.2 | 21.3 | 170.1 | -98.5 | 166.2 | -139.9 | 0 | 0 | 111.2 | R1038 E1042 A1072 S1076 | R1038-E1074 VanDerWaalsContact CZ-CD 3.48Å; R1038-E1074 IonicContact CZ-OE1 3.64Å; R1038-E1074 IonicContact CZ-OE2 3.98Å; R1038-E1074 VanDerWaalsContact NH1-CD 3.26Å; R1038-E1074 IonicContact NH1-OE1 3.26Å; R1038-E1074 PolarHBondContact NH1-OE1 3.34Å; R1038-E1074 IonicContact NH1-OE2 3.63Å; R1038-E1074 PolarHBondContact NH1-OE2 3.38Å; R1038-E1074 VanDerWaalsContact NH2-CB 3.35Å; R1038-E1074 IonicContact NH2-OE1 2.73Å; R1038-E1074 PolarHBondContact NH2-OE1 3.35Å; R1038-E1074 IonicContact NH2-OE2 3.22Å; R1038-E1074 PolarHBondContact NH2-OE2 2.98Å; E1042-E1074 PolarHBondContact OE1-N 3.12Å; E1042-E1074 VanDerWaalsContact OE1-N 3.15Å; A1072-E1074 PolarHBondContact O-N 3.06Å; E1074-S1076 PolarHBondContact O-N 2.83Å | ||
| 1075 | N | 59.3 | Low | 67.8 | Low | 105 Ų | 105 | 61.9 Ų | 61.9 | 56% | 0.561 | 34% | 0.336 | S | S | * | . | trans | 52.8 | 33.5 | -174.7 | -76 | -2.3 | 0 | 0 | 0 | 113.2 | L1077 Y1078 D1079 | N1075-L1077 PolarHBondContact O-N 2.96Å; N1075-Y1078 CarbonylContact O-C 3.58Å; N1075-Y1078 PolarHBondContact O-N 3.01Å; N1075-D1079 PolarHBondContact O-N 3.34Å | ||
| 1076 | S | 65.2 | Low | 67.4 | Low | 22 Ų | 22 | 57 Ų | 57 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -66.7 | -21.8 | -176.7 | 69.4 | 0 | 0 | 0 | 0 | 113.5 | L1039 E1042 E1074 Y1078 D1079 | L1039-S1076 WeakPolarHBondContact CD2-OG 3.2Å; E1042-S1076 PolarHBondContact OE1-N 2.99Å; E1042-S1076 PolarHBondContact OE1-OG 3.34Å; E1042-S1076 PolarHBondContact OE2-N 3.33Å; E1042-S1076 VanDerWaalsContact OE2-N 3.11Å; E1042-S1076 PolarHBondContact OE2-OG 3.11Å; E1074-S1076 PolarHBondContact O-N 2.83Å; S1076-Y1078 VanDerWaalsContact C-N 3.27Å; S1076-Y1078 PolarHBondContact O-N 2.64Å; S1076-D1079 VanDerWaalsContact O-CB 3.23Å; S1076-D1079 WeakPolarHBondContact O-CB 3.31Å; S1076-D1079 PolarHBondContact O-N 3.46Å |
| 1077 | L | 75.4 | Confident | 67 | Low | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -64 | -27.8 | 168.5 | -104.5 | 113.7 | 0 | 0 | 0 | 114.6 | F999 L1039 E1042 L1043 N1075 | F999-L1077 HydrophobicContact CB-CD2 3.65Å; F999-L1077 HydrophobicContact CD1-CD2 3.48Å; F999-L1077 VanDerWaalsContact CD1-CD2 3.48Å; F999-L1077 HydrophobicContact CD2-CD2 3.44Å; F999-L1077 VanDerWaalsContact CD2-CD2 3.44Å; F999-L1077 HydrophobicContact CE1-CD2 3.85Å; F999-L1077 HydrophobicContact CE2-CD2 3.84Å; F999-L1077 HydrophobicContact CG-CD2 3.23Å; F999-L1077 HydrophobicContact CZ-CD2 4.01Å; L1039-L1077 HydrophobicContact CD2-CD1 3.95Å; L1039-L1077 HydrophobicContact CD2-CG 4.01Å; E1042-L1077 HydrophobicContact CB-CD1 3.21Å; E1042-L1077 HydrophobicContact CG-CD1 4.33Å; E1042-L1077 PolarHBondContact OE2-N 3.42Å; L1043-L1077 HydrophobicContact CD2-CD2 3.75Å; L1043-L1077 HydrophobicContact CG-CD1 4.02Å; L1043-L1077 HydrophobicContact CG-CD2 3.96Å; N1075-L1077 PolarHBondContact O-N 2.96Å |
| 1078 | Y | 72.5 | Confident | 66.5 | Low | 53 Ų | 53 | 65.5 Ų | 65.5 | 21% | 0.208 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -103.4 | 12.4 | -179.1 | -63.3 | -85.7 | 0 | 0 | 0 | 112.2 | F999 E1046 N1075 S1076 H1080 V1108 | F999-Y1078 HydrophobicContact CE1-CD1 4.4Å; F999-Y1078 AromaticContact CE1-CE1 3.96Å; F999-Y1078 HydrophobicContact CE1-CE1 3.96Å; F999-Y1078 AromaticContact CZ-CE1 3.96Å; F999-Y1078 HydrophobicContact CZ-CE1 3.96Å; F999-Y1078 HydrophobicContact CZ-CE2 4.32Å; F999-Y1078 AromaticContact CZ-CZ 3.7Å; E1046-Y1078 PolarHBondContact OE1-OH 3.38Å; N1075-Y1078 CarbonylContact O-C 3.58Å; N1075-Y1078 PolarHBondContact O-N 3.01Å; S1076-Y1078 VanDerWaalsContact C-N 3.27Å; S1076-Y1078 PolarHBondContact O-N 2.64Å; Y1078-H1080 PolarHBondContact O-N 2.85Å; Y1078-H1080 VanDerWaalsContact O-N 3.11Å; Y1078-V1108 HydrophobicContact CD1-CG2 3.56Å; Y1078-V1108 HydrophobicContact CE1-CG2 4.34Å; Y1078-V1108 HydrophobicContact CG-CG2 4.2Å |
| 1079 | D | 69.5 | Low | 66.1 | Low | 57 Ų | 57 | 69.4 Ų | 69.4 | 31% | 0.305 | 36% | 0.36 | S | S | . | . | trans | -57.7 | 114.6 | 174.2 | 178.7 | 3.9 | 0 | 0 | 0 | 109.6 | N1075 S1076 D1081 A1082 M1083 | N1075-D1079 PolarHBondContact O-N 3.34Å; S1076-D1079 VanDerWaalsContact O-CB 3.23Å; S1076-D1079 WeakPolarHBondContact O-CB 3.31Å; S1076-D1079 PolarHBondContact O-N 3.46Å; D1079-D1081 PolarHBondContact O-N 3.35Å; D1079-D1081 PolarHBondContact OD1-N 3.13Å; D1079-A1082 HydrophobicContact CB-CB 3.9Å; D1079-A1082 PolarHBondContact O-N 2.95Å; D1079-A1082 VanDerWaalsContact O-N 3.1Å; D1079-M1083 WeakPolarHBondContact O-CG 3.47Å; D1079-M1083 PolarHBondContact O-N 3.31Å | ||
| 1080 | H | 65.8 | Low | 66.2 | Low | 103 Ų | 103 | 67.1 Ų | 67.1 | 48% | 0.477 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.2 | -39.4 | -173.2 | -156.3 | 77.4 | 0 | 0 | 0 | 111.1 | Y1078 M1083 L1084 M1105 | Y1078-H1080 PolarHBondContact O-N 2.85Å; Y1078-H1080 VanDerWaalsContact O-N 3.11Å; H1080-M1083 PolarHBondContact O-N 2.9Å; H1080-L1084 WeakPolarHBondContact O-CB 3.35Å; H1080-L1084 VanDerWaalsContact O-CG 3.3Å; H1080-L1084 WeakPolarHBondContact O-CG 3.41Å; H1080-L1084 PolarHBondContact O-N 3.1Å; H1080-M1105 PolarHBondContact CE1-SD 2.91Å |
| 1081 | D | 70.2 | Confident | 67.1 | Low | 108 Ų | 108 | 63.5 Ų | 63.5 | 58% | 0.578 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -69.2 | -39.9 | 179.3 | -71 | -23.7 | 0 | 0 | 0 | 111.5 | D1079 L1084 A1085 | D1079-D1081 PolarHBondContact O-N 3.35Å; D1079-D1081 PolarHBondContact OD1-N 3.13Å; D1081-L1084 PolarHBondContact O-N 3.34Å; D1081-A1085 WeakPolarHBondContact O-CB 3.46Å; D1081-A1085 PolarHBondContact O-N 3.31Å |
| 1082 | A | 71 | Confident | 67.7 | Low | 8 Ų | 8 | 62.3 Ų | 62.3 | 7% | 0.066 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V996 D1079 A1085 C1086 | V996-A1082 HydrophobicContact CG1-CB 4.33Å; V996-A1082 HydrophobicContact CG2-CB 4.36Å; D1079-A1082 HydrophobicContact CB-CB 3.9Å; D1079-A1082 PolarHBondContact O-N 2.95Å; D1079-A1082 VanDerWaalsContact O-N 3.1Å; A1082-A1085 PolarHBondContact O-N 3.36Å; A1082-C1086 PolarHBondContact O-N 2.99Å; A1082-C1086 PolarHBondContact O-SG 3.1Å |
| 1083 | M | 76.7 | Confident | 68.5 | Low | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.5 | -41.6 | 176.3 | -67.1 | -177.7 | 80.8 | 0 | 0 | 112.3 | V996 V1000 D1079 H1080 A1085 C1086 V1101 K1104 M1105 | V996-M1083 HydrophobicContact CG1-CG 4.05Å; V1000-M1083 HydrophobicContact CG2-CE 3.61Å; V1000-M1083 HydrophobicContact CG2-CG 4.38Å; D1079-M1083 WeakPolarHBondContact O-CG 3.47Å; D1079-M1083 PolarHBondContact O-N 3.31Å; H1080-M1083 PolarHBondContact O-N 2.9Å; M1083-A1085 VanDerWaalsContact C-N 3.31Å; M1083-A1085 PolarHBondContact O-N 2.97Å; M1083-C1086 VanDerWaalsContact O-CB 3.27Å; M1083-C1086 WeakPolarHBondContact O-CB 3.34Å; M1083-C1086 PolarHBondContact O-N 3.11Å; M1083-V1101 HydrophobicContact CB-CG1 4.31Å; M1083-K1104 HydrophobicContact CE-CB 3.29Å; M1083-K1104 HydrophobicContact CE-CG 4.41Å; M1083-M1105 HydrophobicContact CB-CE 3.74Å; M1083-M1105 HydrophobicContact CE-CG 4.19Å; M1083-M1105 HydrophobicContact SD-CG 4.18Å |
| 1084 | L | 71 | Confident | 69.2 | Low | 52 Ų | 52 | 63.7 Ų | 63.7 | 27% | 0.272 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.9 | -35.2 | 173.3 | -73.4 | 174.6 | 0 | 0 | 0 | 111.9 | H1080 D1081 C1086 L1087 M1105 | H1080-L1084 WeakPolarHBondContact O-CB 3.35Å; H1080-L1084 VanDerWaalsContact O-CG 3.3Å; H1080-L1084 WeakPolarHBondContact O-CG 3.41Å; H1080-L1084 PolarHBondContact O-N 3.1Å; D1081-L1084 PolarHBondContact O-N 3.34Å; L1084-C1086 PolarHBondContact O-N 2.92Å; L1084-L1087 HydrophobicContact CD2-CD1 4.13Å; L1084-L1087 WeakPolarHBondContact O-CB 3.21Å; L1084-L1087 PolarHBondContact O-N 3.37Å; L1084-L1087 VanDerWaalsContact O-N 3.15Å; L1084-M1105 HydrophobicContact CD2-CE 3.72Å; L1084-M1105 HydrophobicContact CG-CE 3.63Å |
| 1085 | A | 72.2 | Confident | 69.6 | Low | 27 Ų | 27 | 62.4 Ų | 62.4 | 22% | 0.223 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.8 | -28.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | L993 D1081 A1082 M1083 L1087 R1088 N1089 | L993-A1085 HydrophobicContact CD1-CB 4.44Å; L993-A1085 HydrophobicContact CD2-CB 3.57Å; D1081-A1085 WeakPolarHBondContact O-CB 3.46Å; D1081-A1085 PolarHBondContact O-N 3.31Å; A1082-A1085 PolarHBondContact O-N 3.36Å; M1083-A1085 VanDerWaalsContact C-N 3.31Å; M1083-A1085 PolarHBondContact O-N 2.97Å; A1085-L1087 PolarHBondContact O-N 3.45Å; A1085-R1088 PolarHBondContact O-N 2.83Å; A1085-R1088 VanDerWaalsContact O-N 3.15Å; A1085-N1089 PolarHBondContact O-N 3.48Å |
| 1086 | C | 73.1 | Confident | 69.6 | Low | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.007 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.8 | -31.9 | 173.4 | -62.5 | 0 | 0 | 0 | 0 | 112.2 | E997 A1082 M1083 L1084 R1088 H1090 L1097 | E997-C1086 HydrophobicContact CB-CB 4.29Å; E997-C1086 HydrophobicContact CG-CB 4.29Å; A1082-C1086 PolarHBondContact O-N 2.99Å; A1082-C1086 PolarHBondContact O-SG 3.1Å; M1083-C1086 VanDerWaalsContact O-CB 3.27Å; M1083-C1086 WeakPolarHBondContact O-CB 3.34Å; M1083-C1086 PolarHBondContact O-N 3.11Å; L1084-C1086 PolarHBondContact O-N 2.92Å; C1086-R1088 VanDerWaalsContact C-N 3.32Å; C1086-H1090 PolarHBondContact O-CE1 2.99Å; C1086-H1090 PolarHBondContact O-ND1 3.39Å; C1086-H1090 PolarHBondContact O-NE2 3.44Å; C1086-L1097 HydrophobicContact CB-CD2 3.76Å |
| 1087 | L | 69.2 | Low | 69.7 | Low | 56 Ų | 56 | 61.4 Ų | 61.4 | 29% | 0.293 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70 | -29.1 | 176.6 | -61.9 | 172.4 | 0 | 0 | 0 | 112.7 | L1084 A1085 L1097 E1098 V1101 | L1084-L1087 HydrophobicContact CD2-CD1 4.13Å; L1084-L1087 WeakPolarHBondContact O-CB 3.21Å; L1084-L1087 PolarHBondContact O-N 3.37Å; L1084-L1087 VanDerWaalsContact O-N 3.15Å; A1085-L1087 PolarHBondContact O-N 3.45Å; L1087-L1097 HydrophobicContact CD2-CB 3.99Å; L1087-L1097 HydrophobicContact CD2-CD2 4.44Å; L1087-E1098 HydrophobicContact CD2-CG 4.07Å; L1087-V1101 HydrophobicContact CD1-CG1 4.33Å; L1087-V1101 HydrophobicContact CD2-CB 4.31Å; L1087-V1101 HydrophobicContact CD2-CG2 3.78Å; L1087-V1101 HydrophobicContact CG-CG2 4.07Å |
| 1088 | R | 64.1 | Low | 69.3 | Low | 198 Ų | 198 | 68.1 Ų | 68.1 | 75% | 0.747 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -89.3 | -34.2 | -176 | -56.9 | -176.6 | -160.9 | 177 | 6.8 | 112.4 | A1085 C1086 | A1085-R1088 PolarHBondContact O-N 2.83Å; A1085-R1088 VanDerWaalsContact O-N 3.15Å; C1086-R1088 VanDerWaalsContact C-N 3.32Å |
| 1089 | N | 68.4 | Low | 68.6 | Low | 106 Ų | 106 | 72.7 Ų | 72.7 | 57% | 0.567 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -127.7 | 64.5 | -173.3 | -74.5 | -27.3 | 0 | 0 | 0 | 111.7 | A1085 Q1091 | A1085-N1089 PolarHBondContact O-N 3.48Å; N1089-Q1091 PolarHBondContact O-N 3.3Å |
| 1090 | H | 72.3 | Confident | 68.6 | Low | 80 Ų | 80 | 73.6 Ų | 73.6 | 37% | 0.37 | 37% | 0.368 | S | S | . | . | trans | -59.4 | 125.2 | 176.5 | -80.4 | -60.2 | 0 | 0 | 0 | 112.5 | E997 R1001 C1086 L1097 | E997-H1090 IonicContact OE1-CE1 3.71Å; E997-H1090 IonicContact OE1-CG 3.39Å; E997-H1090 IonicContact OE1-ND1 3.7Å; E997-H1090 PolarHBondContact OE1-ND1 3.08Å; R1001-H1090 PolarHBondContact NH2-ND1 3.48Å; C1086-H1090 PolarHBondContact O-CE1 2.99Å; C1086-H1090 PolarHBondContact O-ND1 3.39Å; C1086-H1090 PolarHBondContact O-NE2 3.44Å; H1090-L1097 WeakPolarHBondContact CE1-CB 3.46Å | ||
| 1091 | Q | 83.6 | Confident | 68.6 | Low | 42 Ų | 42 | 68.8 Ų | 68.8 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | trans | -111 | -12.4 | 172.9 | -65.9 | -178.4 | 89.5 | 0 | 0 | 112.5 | L951 D990 L994 E997 N1089 | L951-Q1091 WeakPolarHBondContact CB-O 3.28Å; D990-Q1091 PolarHBondContact O-NE2 2.92Å; L994-Q1091 HydrophobicContact CD1-CB 3.8Å; E997-Q1091 PolarHBondContact OE2-N 3.46Å; N1089-Q1091 PolarHBondContact O-N 3.3Å | ||
| 1092 | L | 79.9 | Confident | 67.8 | Low | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -120.4 | 128.7 | -177.3 | -68 | 170.6 | 0 | 0 | 0 | 112.1 | L951 L994 E997 A998 R1001 E1005 V1009 | L951-L1092 HydrophobicContact CB-CD2 4.2Å; L951-L1092 HydrophobicContact CD2-CD2 3.89Å; L994-L1092 HydrophobicContact CD1-CD1 4.07Å; L994-L1092 HydrophobicContact CD1-CD2 3.78Å; L994-L1092 HydrophobicContact CD1-CG 3.67Å; E997-L1092 HydrophobicContact CB-CD1 4.09Å; E997-L1092 HydrophobicContact CG-CB 4.38Å; E997-L1092 HydrophobicContact CG-CD1 4.03Å; E997-L1092 PolarHBondContact OE1-N 3.37Å; E997-L1092 PolarHBondContact OE2-N 3.37Å; A998-L1092 HydrophobicContact CB-CD1 3.81Å; R1001-L1092 PolarHBondContact NE-O 2.9Å; R1001-L1092 PolarHBondContact NH2-O 3.46Å; E1005-L1092 HydrophobicContact CB-CD1 4.3Å; E1005-L1092 HydrophobicContact CG-CD1 4.48Å; V1009-L1092 HydrophobicContact CG2-CD1 4.1Å; V1009-L1092 HydrophobicContact CG2-CD2 3.77Å |
| 1093 | G | 66.4 | Low | 67.1 | Low | 17 Ų | 17 | 69 Ų | 69 | 18% | 0.175 | 36% | 0.355 | C | S | . | . | trans | 55.3 | 179.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L951 | L951-G1093 PolarHBondContact O-N 3.08Š| ||
| 1094 | N | 60.3 | Low | 66.5 | Low | 156 Ų | 156 | 71.2 Ų | 71.2 | 83% | 0.834 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -113 | 0.7 | 177.1 | -71.3 | -10.1 | 0 | 0 | 0 | 113.3 | ||
| 1095 | E | 55.4 | Low | 65.3 | Low | 115 Ų | 115 | 70.5 Ų | 70.5 | 54% | 0.537 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -77.3 | 143.2 | -179.3 | -67 | -172.2 | 164.4 | 0 | 0 | 112.5 | R1001 K1100 | R1001-E1095 PolarHBondContact NH1-O 3.33Å; R1001-E1095 PolarHBondContact NH2-O 2.87Å; E1095-K1100 IonicContact OE2-NZ 2.85Å |
| 1096 | P | 58.9 | Low | 63.7 | Low | 106 Ų | 106 | 74.4 Ų | 74.4 | 69% | 0.688 | 39% | 0.385 | S | S | * | . | trans | -62.6 | 132.9 | 177.2 | 23.6 | -30.7 | 0 | 0 | 0 | 111.9 | ||||
| 1097 | L | 67.8 | Low | 62.2 | Low | 1 Ų | 1 | 78.5 Ų | 78.5 | 1% | 0.005 | 41% | 0.41 | C | S | . | . | trans | -100.4 | -7.8 | -173.5 | -163.5 | 82 | 0 | 0 | 0 | 113.4 | E997 V1000 R1001 C1086 L1087 H1090 H1099 K1100 V1101 | E997-L1097 HydrophobicContact CG-CD2 4.2Å; V1000-L1097 HydrophobicContact CG1-CD1 4.04Å; V1000-L1097 HydrophobicContact CG1-CD2 4.04Å; V1000-L1097 HydrophobicContact CG1-CG 4.01Å; R1001-L1097 HydrophobicContact CB-CD1 4.46Å; R1001-L1097 HydrophobicContact CG-CD1 3.23Å; C1086-L1097 HydrophobicContact CB-CD2 3.76Å; L1087-L1097 HydrophobicContact CD2-CB 3.99Å; L1087-L1097 HydrophobicContact CD2-CD2 4.44Å; H1090-L1097 WeakPolarHBondContact CE1-CB 3.46Å; L1097-H1099 PolarHBondContact O-N 3.29Å; L1097-K1100 HydrophobicContact CD1-CB 4.41Å; L1097-K1100 PolarHBondContact O-N 3.3Å; L1097-V1101 HydrophobicContact CD2-CG2 3.51Å; L1097-V1101 HydrophobicContact CG-CG2 3.78Å; L1097-V1101 PolarHBondContact O-N 3.25Å | ||
| 1098 | E | 67.9 | Low | 60.5 | Low | 143 Ų | 143 | 79 Ų | 79 | 67% | 0.668 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -51.5 | -51.3 | -172.2 | -65.7 | 167.3 | 178 | 0 | 0 | 112.9 | L1087 K1100 V1101 A1102 | L1087-E1098 HydrophobicContact CD2-CG 4.07Å; E1098-K1100 PolarHBondContact O-N 2.89Å; E1098-V1101 PolarHBondContact O-N 3.07Å; E1098-A1102 WeakPolarHBondContact O-CB 3.43Å; E1098-A1102 PolarHBondContact O-N 3.4Å |
| 1099 | H | 56.9 | Low | 58.7 | Low | 149 Ų | 149 | 71.7 Ų | 71.7 | 69% | 0.69 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.2 | -39.2 | 178.2 | -175.3 | -85.8 | 0 | 0 | 0 | 112.5 | L1097 A1102 V1103 | L1097-H1099 PolarHBondContact O-N 3.29Å; H1099-A1102 PolarHBondContact O-N 2.9Å; H1099-V1103 VanDerWaalsContact O-CG2 3.27Å; H1099-V1103 WeakPolarHBondContact O-CG2 3.46Å; H1099-V1103 PolarHBondContact O-N 3.35Å |
| 1100 | K | 69.3 | Low | 56.7 | Low | 76 Ų | 76 | 72.2 Ų | 72.2 | 33% | 0.33 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.7 | -38.5 | -179.5 | -66.7 | -176.9 | -179.1 | 172.4 | 0 | 111.8 | V1000 E1095 L1097 E1098 K1104 | V1000-K1100 HydrophobicContact CG1-CB 3.95Å; E1095-K1100 IonicContact OE2-NZ 2.85Å; L1097-K1100 HydrophobicContact CD1-CB 4.41Å; L1097-K1100 PolarHBondContact O-N 3.3Å; E1098-K1100 PolarHBondContact O-N 2.89Å; K1100-K1104 PolarHBondContact O-N 2.88Å; K1100-K1104 VanDerWaalsContact O-N 3.08Å |
| 1101 | V | 67.1 | Low | 54.4 | Low | 3 Ų | 3 | 77.5 Ų | 77.5 | 2% | 0.018 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -62.3 | -48.4 | 171.5 | 171.6 | 0 | 0 | 0 | 0 | 109.8 | V1000 M1083 L1087 L1097 E1098 V1103 K1104 M1105 | V1000-V1101 HydrophobicContact CG1-CB 4.47Å; V1000-V1101 HydrophobicContact CG1-CG2 3.77Å; M1083-V1101 HydrophobicContact CB-CG1 4.31Å; L1087-V1101 HydrophobicContact CD1-CG1 4.33Å; L1087-V1101 HydrophobicContact CD2-CB 4.31Å; L1087-V1101 HydrophobicContact CD2-CG2 3.78Å; L1087-V1101 HydrophobicContact CG-CG2 4.07Å; L1097-V1101 HydrophobicContact CD2-CG2 3.51Å; L1097-V1101 HydrophobicContact CG-CG2 3.78Å; L1097-V1101 PolarHBondContact O-N 3.25Å; E1098-V1101 PolarHBondContact O-N 3.07Å; V1101-V1103 PolarHBondContact O-N 3.07Å; V1101-K1104 PolarHBondContact O-N 2.97Å; V1101-M1105 HydrophobicContact CG1-CE 3.4Å; V1101-M1105 VanDerWaalsContact CG1-CE 3.4Å; V1101-M1105 HydrophobicContact CG1-CG 4.1Å; V1101-M1105 HydrophobicContact CG1-SD 3.6Å; V1101-M1105 WeakPolarHBondContact O-CB 3.47Å; V1101-M1105 VanDerWaalsContact O-CG 3.29Å; V1101-M1105 WeakPolarHBondContact O-CG 3.36Å; V1101-M1105 PolarHBondContact O-N 3.07Å |
| 1102 | A | 52.1 | Low | 51.5 | Low | 47 Ų | 47 | 79.7 Ų | 79.7 | 39% | 0.388 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.5 | -47.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | E1098 H1099 K1104 M1105 C1106 | E1098-A1102 WeakPolarHBondContact O-CB 3.43Å; E1098-A1102 PolarHBondContact O-N 3.4Å; H1099-A1102 PolarHBondContact O-N 2.9Å; A1102-K1104 PolarHBondContact O-N 3.48Å; A1102-M1105 PolarHBondContact O-N 3.5Å; A1102-C1106 WeakPolarHBondContact O-CB 3.36Å; A1102-C1106 PolarHBondContact O-N 3.19Å; A1102-C1106 PolarHBondContact O-SG 2.77Å; A1102-C1106 VanDerWaalsContact O-SG 3.33Å |
| 1103 | V | 56.6 | Low | 48.7 | Very low | 72 Ų | 72 | 86.6 Ų | 86.6 | 44% | 0.436 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.9 | -47 | 176.7 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | H1099 V1101 M1105 C1106 T1107 | H1099-V1103 VanDerWaalsContact O-CG2 3.27Å; H1099-V1103 WeakPolarHBondContact O-CG2 3.46Å; H1099-V1103 PolarHBondContact O-N 3.35Å; V1101-V1103 PolarHBondContact O-N 3.07Å; V1103-M1105 VanDerWaalsContact C-N 3.35Å; V1103-M1105 PolarHBondContact O-N 3.24Å; V1103-C1106 PolarHBondContact O-N 2.98Å; V1103-T1107 PolarHBondContact O-N 3.48Å; V1103-T1107 VanDerWaalsContact O-N 3.12Å |
| 1104 | K | 63.4 | Low | 46.6 | Very low | 49 Ų | 49 | 90.9 Ų | 90.9 | 21% | 0.213 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -68.8 | -31.4 | 178.6 | -78.9 | -70.5 | -176.5 | 179.7 | 0 | 113 | F999 M1083 K1100 V1101 A1102 T1107 V1108 | F999-K1104 HydrophobicContact CE1-CD 4.1Å; F999-K1104 HydrophobicContact CZ-CD 4.29Å; M1083-K1104 HydrophobicContact CE-CB 3.29Å; M1083-K1104 HydrophobicContact CE-CG 4.41Å; K1100-K1104 PolarHBondContact O-N 2.88Å; K1100-K1104 VanDerWaalsContact O-N 3.08Å; V1101-K1104 PolarHBondContact O-N 2.97Å; A1102-K1104 PolarHBondContact O-N 3.48Å; K1104-T1107 WeakPolarHBondContact CA-OG1 3.44Å; K1104-T1107 PolarHBondContact O-N 2.95Å; K1104-T1107 PolarHBondContact O-OG1 3.17Å; K1104-V1108 WeakPolarHBondContact O-CG2 3.35Å |
| 1105 | M | 47.3 | Very low | 44.7 | Very low | 36 Ų | 36 | 91.2 Ų | 91.2 | 18% | 0.177 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -68.9 | -40.6 | 172.2 | -76.1 | 178.1 | 171.6 | 0 | 0 | 112.1 | H1080 M1083 L1084 V1101 A1102 V1103 T1107 V1108 | H1080-M1105 PolarHBondContact CE1-SD 2.91Å; M1083-M1105 HydrophobicContact CB-CE 3.74Å; M1083-M1105 HydrophobicContact CE-CG 4.19Å; M1083-M1105 HydrophobicContact SD-CG 4.18Å; L1084-M1105 HydrophobicContact CD2-CE 3.72Å; L1084-M1105 HydrophobicContact CG-CE 3.63Å; V1101-M1105 HydrophobicContact CG1-CE 3.4Å; V1101-M1105 VanDerWaalsContact CG1-CE 3.4Å; V1101-M1105 HydrophobicContact CG1-CG 4.1Å; V1101-M1105 HydrophobicContact CG1-SD 3.6Å; V1101-M1105 WeakPolarHBondContact O-CB 3.47Å; V1101-M1105 VanDerWaalsContact O-CG 3.29Å; V1101-M1105 WeakPolarHBondContact O-CG 3.36Å; V1101-M1105 PolarHBondContact O-N 3.07Å; A1102-M1105 PolarHBondContact O-N 3.5Å; V1103-M1105 VanDerWaalsContact C-N 3.35Å; V1103-M1105 PolarHBondContact O-N 3.24Å; M1105-T1107 PolarHBondContact O-N 2.98Å; M1105-V1108 WeakPolarHBondContact O-CB 3.47Å; M1105-V1108 WeakPolarHBondContact O-CG2 3.15Å; M1105-V1108 PolarHBondContact O-N 3.06Å |
| 1106 | C | 38.1 | Very low | 43.2 | Very low | 109 Ų | 109 | 89.4 Ų | 89.4 | 74% | 0.736 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.3 | -26.5 | 176 | -72.4 | 0 | 0 | 0 | 0 | 112.5 | A1102 V1103 V1108 | A1102-C1106 WeakPolarHBondContact O-CB 3.36Å; A1102-C1106 PolarHBondContact O-N 3.19Å; A1102-C1106 PolarHBondContact O-SG 2.77Å; A1102-C1106 VanDerWaalsContact O-SG 3.33Å; V1103-C1106 PolarHBondContact O-N 2.98Å; C1106-V1108 PolarHBondContact O-N 3.05Å |
| 1107 | T | 41.5 | Very low | 41.4 | Very low | 87 Ų | 87 | 92.8 Ų | 92.8 | 53% | 0.534 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -5 | 171.7 | 54.2 | 0 | 0 | 0 | 0 | 114 | V1103 K1104 M1105 | V1103-T1107 PolarHBondContact O-N 3.48Å; V1103-T1107 VanDerWaalsContact O-N 3.12Å; K1104-T1107 WeakPolarHBondContact CA-OG1 3.44Å; K1104-T1107 PolarHBondContact O-N 2.95Å; K1104-T1107 PolarHBondContact O-OG1 3.17Å; M1105-T1107 PolarHBondContact O-N 2.98Å |
| 1108 | V | 32.9 | Very low | 39.3 | Very low | 66 Ų | 66 | 100.3 Ų | 100.3 | 40% | 0.4 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.5 | 34.4 | 178.2 | -158.6 | 0 | 0 | 0 | 0 | 112.2 | Y1078 K1104 M1105 C1106 | Y1078-V1108 HydrophobicContact CD1-CG2 3.56Å; Y1078-V1108 HydrophobicContact CE1-CG2 4.34Å; Y1078-V1108 HydrophobicContact CG-CG2 4.2Å; K1104-V1108 WeakPolarHBondContact O-CG2 3.35Å; M1105-V1108 WeakPolarHBondContact O-CB 3.47Å; M1105-V1108 WeakPolarHBondContact O-CG2 3.15Å; M1105-V1108 PolarHBondContact O-N 3.06Å; C1106-V1108 PolarHBondContact O-N 3.05Å |
| 1109 | G | 26.1 | Very low | 37.2 | Very low | 46 Ų | 46 | 98.3 Ų | 98.3 | 47% | 0.474 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -64.9 | 130.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | H1111 | G1109-H1111 PolarHBondContact O-N 2.9Å; G1109-H1111 VanDerWaalsContact O-N 3.12Å |
| 1110 | P | 27.5 | Very low | 35.6 | Very low | 117 Ų | 117 | 100 Ų | 100 | 76% | 0.76 | 58% | 0.584 | S | S | * | * | trans | -55.1 | 130.2 | 176.9 | 26.3 | -31.2 | 0 | 0 | 0 | 106 | A1112 | P1110-A1112 WeakPolarHBondContact O-CA 3.3Å; P1110-A1112 PolarHBondContact O-N 2.56Å | ||
| 1111 | H | 24 | Very low | 33.4 | Very low | 191 Ų | 191 | 105.8 Ų | 105.8 | 88% | 0.884 | 61% | 0.613 | S | S | * | * | trans | -39.7 | 90.8 | 177.3 | -80.2 | -71 | 0 | 0 | 0 | 109.8 | G1109 I1113 | G1109-H1111 PolarHBondContact O-N 2.9Å; G1109-H1111 VanDerWaalsContact O-N 3.12Å; H1111-I1113 PolarHBondContact O-N 2.8Å | ||
| 1112 | A | 21.9 | Very low | 31.3 | Very low | 87 Ų | 87 | 109.2 Ų | 109.2 | 72% | 0.719 | 64% | 0.641 | S | S | * | * | trans | -77.1 | 88.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 102.1 | P1110 P1114 | P1110-A1112 WeakPolarHBondContact O-CA 3.3Å; P1110-A1112 PolarHBondContact O-N 2.56Å; A1112-P1114 VanDerWaalsContact C-N 3.34Å; A1112-P1114 VanDerWaalsContact O-CD 3.25Å; A1112-P1114 WeakPolarHBondContact O-CD 3.36Å | ||
| 1113 | I | 22.2 | Very low | 30.1 | Very low | 146 Ų | 146 | 113.2 Ų | 113.2 | 75% | 0.749 | 66% | 0.663 | S | S | * | * | trans | -53.1 | 112.4 | 153.3 | -60.3 | 172.9 | 0 | 0 | 0 | 103 | H1111 L1115 | H1111-I1113 PolarHBondContact O-N 2.8Å; I1113-L1115 PolarHBondContact O-N 2.97Å | ||
| 1114 | P | 21.6 | Very low | 28.5 | Very low | 107 Ų | 107 | 117 Ų | 117 | 70% | 0.695 | 68% | 0.678 | S | S | * | * | trans | -59.5 | 116.1 | -172.6 | 22.3 | -29.9 | 0 | 0 | 0 | 107.2 | A1112 P1116 | A1112-P1114 VanDerWaalsContact C-N 3.34Å; A1112-P1114 VanDerWaalsContact O-CD 3.25Å; A1112-P1114 WeakPolarHBondContact O-CD 3.36Å; P1114-P1116 WeakPolarHBondContact O-CD 3.22Å | ||
| 1115 | L | 20.6 | Very low | 26.6 | Very low | 163 Ų | 163 | 122.2 Ų | 122.2 | 85% | 0.853 | 71% | 0.708 | S | S | * | * | trans | -57.2 | 116.3 | 174.8 | -82.9 | 154.8 | 0 | 0 | 0 | 107.7 | I1113 L1117 | I1113-L1115 PolarHBondContact O-N 2.97Å; L1115-L1117 PolarHBondContact O-N 3.42Å; L1115-L1117 VanDerWaalsContact O-N 3.13Å | ||
| 1116 | P | 24.2 | Very low | 25.4 | Very low | 76 Ų | 76 | 124.7 Ų | 124.7 | 49% | 0.494 | 73% | 0.734 | S | S | . | * | trans | -70.5 | 111.4 | 173.8 | -12 | 28.4 | 0 | 0 | 0 | 108.1 | P1114 H1118 L1751 | P1114-P1116 WeakPolarHBondContact O-CD 3.22Å; P1116-H1118 PolarHBondContact O-N 3Å; P1116-L1751 HydrophobicContact CB-CD2 4.42Å; P1116-L1751 HydrophobicContact CG-CD2 3.67Å | ||
| 1117 | L | 21.2 | Very low | 24.6 | Very low | 178 Ų | 178 | 127.6 Ų | 127.6 | 93% | 0.932 | 74% | 0.741 | S | S | * | * | trans | -62.1 | 97.2 | 164.1 | -80 | 155 | 0 | 0 | 0 | 108.4 | L1115 | L1115-L1117 PolarHBondContact O-N 3.42Å; L1115-L1117 VanDerWaalsContact O-N 3.13Å | ||
| 1118 | H | 23.7 | Very low | 23.6 | Very low | 159 Ų | 159 | 129.3 Ų | 129.3 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | -108.1 | 113.8 | 165.3 | -103 | -53.4 | 0 | 0 | 0 | 109.7 | P1116 M1120 | P1116-H1118 PolarHBondContact O-N 3Å; H1118-M1120 PolarHBondContact O-N 3.08Å | ||
| 1119 | A | 23.2 | Very low | 23.1 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 123.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 1120 | M | 22.1 | Very low | 22.8 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -69 | 136.6 | 169 | -91.6 | 166.4 | 59.4 | 0 | 0 | 110.8 | H1118 | H1118-M1120 PolarHBondContact O-N 3.08Š|
| 1121 | E | 23 | Very low | 22.5 | Very low | 197 Ų | 197 | 138.7 Ų | 138.7 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 134.4 | 166.3 | -62.9 | 171.4 | 141.1 | 0 | 0 | 111.1 | ||
| 1122 | A | 23.6 | Very low | 22.4 | Very low | 75 Ų | 75 | 135.1 Ų | 135.1 | 62% | 0.62 | 79% | 0.788 | S | S | * | * | trans | -131.8 | 131.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1123 | P | 27.9 | Very low | 22.3 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -88.8 | 152.7 | -162.8 | 35.3 | -34.4 | 0 | 0 | 0 | 113.2 | ||||
| 1124 | M | 22.8 | Very low | 22.2 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | -46.7 | 139.8 | 173.3 | -61.7 | -176.5 | -142.4 | 0 | 0 | 113.9 | ||||
| 1125 | N | 22.5 | Very low | 22.2 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | 178.1 | 140.9 | 109.3 | -91 | -35.4 | 0 | 0 | 0 | 114.5 | |||||
| 1126 | A | 21.7 | Very low | 22.9 | Very low | 87 Ų | 87 | 135.7 Ų | 135.7 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | 72.2 | 107 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1127 | L | 21.4 | Very low | 22.8 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | -176.7 | 121.9 | 97.2 | -94.7 | 159.2 | 0 | 0 | 0 | 111.4 | |||||
| 1128 | S | 22 | Very low | 23 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -64.3 | 130.2 | 162.1 | 143.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1129 | G | 21.7 | Very low | 22.8 | Very low | 65 Ų | 65 | 137.9 Ų | 137.9 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | trans | 168.1 | 116.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1130 | M | 20.5 | Very low | 23 | Very low | 179 Ų | 179 | 141.3 Ų | 141.3 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | 76.8 | 96.2 | 161.7 | -55.8 | -177.1 | 82.6 | 0 | 0 | 116 | ||||
| 1131 | M | 20.5 | Very low | 23.1 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | 51.5 | 145.5 | 77.7 | -89.9 | -146.2 | -163.1 | 0 | 0 | 116.2 | |||||
| 1132 | T | 21.6 | Very low | 23.3 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | trans | 94.2 | 109.1 | 156.5 | -6.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1133 | V | 20.7 | Very low | 23.3 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | cis | 126.7 | 131.1 | 32.6 | 140.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1134 | L | 19.6 | Very low | 23 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | 68.1 | 112 | 150 | -66.1 | 169.8 | 0 | 0 | 0 | 119.1 | ||||
| 1135 | M | 21.1 | Very low | 22.9 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | 87.7 | 163.2 | 89.6 | -83.9 | -128.9 | -96.9 | 0 | 0 | 114.1 | |||||
| 1136 | P | 35.3 | Very low | 22.8 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | -121.6 | 161.3 | -77 | 29.4 | -8.6 | 0 | 0 | 0 | 111.7 | P1138 | P1136-P1138 VanDerWaalsContact O-CD 3.28Å; P1136-P1138 WeakPolarHBondContact O-CD 3.36Å | |||
| 1137 | I | 23 | Very low | 22.8 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | trans | -65.9 | 114.3 | 178.1 | -63.2 | 166.1 | 0 | 0 | 0 | 109 | ||||
| 1138 | P | 24.6 | Very low | 22.9 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 136.3 | 179.3 | 2.8 | 13.6 | 0 | 0 | 0 | 110 | P1136 L1140 | P1136-P1138 VanDerWaalsContact O-CD 3.28Å; P1136-P1138 WeakPolarHBondContact O-CD 3.36Å; P1138-L1140 PolarHBondContact O-N 2.77Å |
| 1139 | M | 20.9 | Very low | 22.9 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 131.2 | 167.6 | -63.2 | -150.1 | 81.5 | 0 | 0 | 110.9 | ||
| 1140 | L | 25.7 | Very low | 23 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 128.3 | 168.2 | -100.1 | 97.7 | 0 | 0 | 0 | 109.3 | P1138 | P1138-L1140 PolarHBondContact O-N 2.77Š|
| 1141 | P | 25.8 | Very low | 23 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 150.8 | -167.2 | 34.9 | -34.9 | 0 | 0 | 0 | 113.1 | R1143 | P1141-R1143 PolarHBondContact O-N 2.99Š|
| 1142 | D | 26.2 | Very low | 23.3 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 127.5 | 153.8 | -86.7 | -41.1 | 0 | 0 | 0 | 111.3 | ||
| 1143 | R | 23.3 | Very low | 23.2 | Very low | 232 Ų | 232 | 141.2 Ų | 141.2 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | trans | -149.8 | 98.2 | 153.8 | -137.3 | 177.4 | -176.3 | -177.9 | 0.8 | 111.6 | P1141 | P1141-R1143 PolarHBondContact O-N 2.99Š| ||
| 1144 | S | 21.7 | Very low | 23.3 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | trans | -22.1 | 141.2 | 139 | 56.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1145 | V | 22 | Very low | 23.5 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 70% | 0.697 | 80% | 0.798 | S | S | * | * | 167.7 | 118.4 | 126.6 | 154.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1146 | M | 19.9 | Very low | 23.5 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 82% | 0.823 | 80% | 0.801 | S | S | * | * | trans | 64.6 | 148.4 | 144.4 | -72.6 | -179.2 | -169.8 | 0 | 0 | 120.6 | ||||
| 1147 | T | 22.2 | Very low | 22.8 | Very low | 106 Ų | 106 | 138 Ų | 138 | 65% | 0.65 | 81% | 0.806 | S | S | * | * | cis | -175.7 | 150.5 | -22.4 | 22.3 | 0 | 0 | 0 | 0 | 103 | ||||
| 1148 | D | 23.5 | Very low | 22.7 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | 71.7 | 128.3 | 166.2 | -50.6 | -26.6 | 0 | 0 | 0 | 116.7 | ||||
| 1149 | G | 21.6 | Very low | 22.6 | Very low | 74 Ų | 74 | 139.7 Ų | 139.7 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | cis | 173.4 | 157.4 | 5.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1150 | D | 22.9 | Very low | 22.6 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | 80.5 | 91.6 | 165.7 | -86.3 | -32.2 | 0 | 0 | 0 | 121.8 | ||||
| 1151 | S | 21.9 | Very low | 22.2 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 62% | 0.622 | 79% | 0.794 | S | S | * | * | 56 | 102.5 | 115.2 | 59.3 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 1152 | T | 25.3 | Very low | 21.8 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 87% | 0.871 | 80% | 0.798 | S | S | * | * | 175.5 | 136.2 | 96.7 | 28.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1153 | E | 20.5 | Very low | 21.6 | Very low | 201 Ų | 201 | 134.9 Ų | 134.9 | 94% | 0.939 | 79% | 0.794 | S | S | * | * | trans | -65.8 | 147.7 | 177.5 | -60.6 | 165.7 | 148.2 | 0 | 0 | 111.5 | ||||
| 1154 | G | 22.8 | Very low | 21.5 | Very low | 73 Ų | 73 | 128.6 Ų | 128.6 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | 162.3 | 80.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1155 | E | 22.4 | Very low | 21.4 | Very low | 194 Ų | 194 | 133.8 Ų | 133.8 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | 40.1 | 122 | 142.8 | -65 | -179 | 157.9 | 0 | 0 | 121.3 | A1157 | E1155-A1157 PolarHBondContact O-N 3.47Š| ||
| 1156 | G | 21.1 | Very low | 21.3 | Very low | 86 Ų | 86 | 136 Ų | 136 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | -65.3 | 117.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1157 | A | 22.3 | Very low | 21.5 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -84.8 | 119.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | E1155 V1159 | E1155-A1157 PolarHBondContact O-N 3.47Å; A1157-V1159 PolarHBondContact O-N 3.01Å | ||
| 1158 | M | 20.3 | Very low | 21.5 | Very low | 181 Ų | 181 | 133.2 Ų | 133.2 | 89% | 0.892 | 81% | 0.811 | S | S | * | * | trans | -45.4 | 122.7 | 162.5 | -99 | 170.9 | 152.4 | 0 | 0 | 111.5 | S1160 | M1158-S1160 PolarHBondContact O-N 3.23Å; M1158-S1160 VanDerWaalsContact O-N 3.15Å | ||
| 1159 | V | 23.2 | Very low | 21.5 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -68.6 | 99.9 | 167.6 | 176.6 | 0 | 0 | 0 | 0 | 108 | A1157 | A1157-V1159 PolarHBondContact O-N 3.01Š| ||
| 1160 | S | 19.7 | Very low | 21.6 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -100.9 | 103.7 | 167.2 | -62.3 | 0 | 0 | 0 | 0 | 108.4 | M1158 | M1158-S1160 PolarHBondContact O-N 3.23Å; M1158-S1160 VanDerWaalsContact O-N 3.15Å | ||
| 1161 | C | 18.3 | Very low | 21.9 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 68% | 0.676 | 80% | 0.795 | S | S | * | * | trans | -65.6 | 122.9 | 169.6 | -83.7 | 0 | 0 | 0 | 0 | 110.3 | Y1163 | C1161-Y1163 HydrophobicContact CB-CD2 4.33Š| ||
| 1162 | S | 17.1 | Very low | 22.1 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -123.4 | 94.5 | 158 | 54 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1163 | Y | 20.9 | Very low | 22.7 | Very low | 208 Ų | 208 | 130.5 Ų | 130.5 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | trans | -97.5 | 110.6 | 167.8 | -78.5 | -79.1 | 0 | 0 | 0 | 108.2 | C1161 | C1161-Y1163 HydrophobicContact CB-CD2 4.33Š| ||
| 1164 | A | 21.1 | Very low | 24 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | -64.8 | 133.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | D1166 | A1164-D1166 PolarHBondContact O-N 3Š| ||
| 1165 | F | 20.2 | Very low | 25 | Very low | 208 Ų | 208 | 121.1 Ų | 121.1 | 91% | 0.912 | 72% | 0.719 | S | S | * | * | trans | -62.1 | 111.1 | 167.7 | -96 | -102.3 | 0 | 0 | 0 | 109.9 | ||||
| 1166 | D | 19.7 | Very low | 26.1 | Very low | 160 Ų | 160 | 115.9 Ų | 115.9 | 86% | 0.856 | 70% | 0.701 | S | S | * | * | trans | -153.2 | 84 | 154.9 | -116.4 | -14.3 | 0 | 0 | 0 | 108.2 | A1164 | A1164-D1166 PolarHBondContact O-N 3Š| ||
| 1167 | A | 24 | Very low | 27.1 | Very low | 76 Ų | 76 | 114.8 Ų | 114.8 | 63% | 0.628 | 67% | 0.674 | S | S | * | * | trans | -149 | 80.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | L1169 | A1167-L1169 HydrophobicContact CB-CD1 4.3Å; A1167-L1169 HydrophobicContact CB-CG 4.38Å; A1167-L1169 PolarHBondContact O-N 2.95Å | ||
| 1168 | T | 23.1 | Very low | 28 | Very low | 139 Ų | 139 | 115.3 Ų | 115.3 | 85% | 0.853 | 67% | 0.672 | S | S | * | * | trans | -64 | 78.2 | 152.9 | 36 | 0 | 0 | 0 | 0 | 108.6 | S1170 | T1168-S1170 PolarHBondContact O-N 3.42Å; T1168-S1170 VanDerWaalsContact O-N 3.15Å | ||
| 1169 | L | 23.5 | Very low | 28.8 | Very low | 148 Ų | 148 | 110.6 Ų | 110.6 | 78% | 0.775 | 65% | 0.651 | S | S | * | * | trans | -80.6 | 84.9 | 169.7 | -82.4 | 159.3 | 0 | 0 | 0 | 109 | A1167 | A1167-L1169 HydrophobicContact CB-CD1 4.3Å; A1167-L1169 HydrophobicContact CB-CG 4.38Å; A1167-L1169 PolarHBondContact O-N 2.95Å | ||
| 1170 | S | 23.3 | Very low | 29.9 | Very low | 74 Ų | 74 | 106.9 Ų | 106.9 | 52% | 0.517 | 64% | 0.639 | S | S | . | * | trans | -66.5 | 132.8 | 154.9 | 44.3 | 0 | 0 | 0 | 0 | 108.8 | T1168 H1172 | T1168-S1170 PolarHBondContact O-N 3.42Å; T1168-S1170 VanDerWaalsContact O-N 3.15Å; S1170-H1172 PolarHBondContact O-N 3.44Å | ||
| 1171 | P | 28.5 | Very low | 31.3 | Very low | 129 Ų | 129 | 108 Ų | 108 | 84% | 0.838 | 64% | 0.644 | S | S | * | * | trans | -67.8 | 105.5 | -174.3 | 27.4 | -32 | 0 | 0 | 0 | 109.6 | S1173 | P1171-S1173 PolarHBondContact O-N 3.37Å; P1171-S1173 VanDerWaalsContact O-N 3.12Å | ||
| 1172 | H | 27.2 | Very low | 33 | Very low | 166 Ų | 166 | 106.2 Ų | 106.2 | 77% | 0.769 | 63% | 0.627 | S | S | * | * | trans | -67.2 | 108.3 | 174.5 | -74.4 | -75.4 | 0 | 0 | 0 | 109.1 | S1170 | S1170-H1172 PolarHBondContact O-N 3.44Š| ||
| 1173 | S | 38.4 | Very low | 35.2 | Very low | 51 Ų | 51 | 105.2 Ų | 105.2 | 36% | 0.357 | 61% | 0.613 | S | S | . | * | trans | -63.3 | 134.9 | 176.5 | 93.9 | 0 | 0 | 0 | 0 | 110.2 | P1171 F1175 | P1171-S1173 PolarHBondContact O-N 3.37Å; P1171-S1173 VanDerWaalsContact O-N 3.12Å; S1173-F1175 VanDerWaalsContact C-N 3.25Å; S1173-F1175 PolarHBondContact O-N 2.89Å; S1173-F1175 VanDerWaalsContact O-N 3.13Å; S1173-F1175 PolarHBondContact OG-O 3.14Å | ||
| 1174 | P | 46.6 | Very low | 37.7 | Very low | 66 Ų | 66 | 96.9 Ų | 96.9 | 43% | 0.429 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -67.2 | -14.6 | -171.5 | 19.3 | -28.8 | 0 | 0 | 0 | 115.1 | K1190 L1319 | P1174-K1190 HydrophobicContact CB-CD 4.13Å; P1174-K1190 WeakPolarHBondContact O-CE 3.42Å; P1174-K1190 PolarHBondContact O-NZ 3.4Å; P1174-L1319 HydrophobicContact CB-CD1 4.17Å; P1174-L1319 HydrophobicContact CG-CD1 3.68Å |
| 1175 | F | 44.9 | Very low | 40.1 | Very low | 11 Ų | 11 | 97.2 Ų | 97.2 | 5% | 0.048 | 57% | 0.57 | C | S | . | * | trans | -111.4 | 116 | -179.9 | -62.1 | -82.9 | 0 | 0 | 0 | 111.9 | S1173 L1187 K1190 L1319 | S1173-F1175 VanDerWaalsContact C-N 3.25Å; S1173-F1175 PolarHBondContact O-N 2.89Å; S1173-F1175 VanDerWaalsContact O-N 3.13Å; S1173-F1175 PolarHBondContact OG-O 3.14Å; F1175-L1187 HydrophobicContact CZ-CD1 4.24Å; F1175-K1190 HydrophobicContact CD1-CD 4.29Å; F1175-K1190 HydrophobicContact CE1-CD 3.81Å; F1175-K1190 HydrophobicContact CZ-CD 3.97Å; F1175-L1319 HydrophobicContact CE2-CD1 3.53Å; F1175-L1319 HydrophobicContact CE2-CG 4.32Å; F1175-L1319 HydrophobicContact CZ-CD1 3.94Å | ||
| 1176 | T | 44.2 | Very low | 42.5 | Very low | 84 Ų | 84 | 88.9 Ų | 88.9 | 52% | 0.515 | 54% | 0.538 | S | S | . | . | trans | -98.6 | 142.3 | 179.1 | 47 | 0 | 0 | 0 | 0 | 112.1 | S1178 D1179 | T1176-S1178 PolarHBondContact O-N 3.33Å; T1176-D1179 PolarHBondContact O-N 3.14Å | ||
| 1177 | D | 41.8 | Very low | 45.4 | Very low | 63 Ų | 63 | 81.3 Ų | 81.3 | 34% | 0.337 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -0.1 | -174.7 | -102.4 | -9.5 | 0 | 0 | 0 | 116.8 | R1326 K1397 | D1177-R1326 IonicContact OD1-CZ 3.46Å; D1177-R1326 VanDerWaalsContact OD1-CZ 3.28Å; D1177-R1326 IonicContact OD1-NH1 2.63Å; D1177-R1326 PolarHBondContact OD1-NH1 3.17Å; D1177-R1326 IonicContact OD1-NH2 3.78Å; D1177-R1326 PolarHBondContact OD1-NH2 3.4Å; D1177-K1397 HydrophobicContact CB-CB 4.22Å |
| 1178 | S | 42.6 | Very low | 48.1 | Very low | 103 Ų | 103 | 79.2 Ų | 79.2 | 72% | 0.72 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -13.9 | 174.3 | 57.7 | 0 | 0 | 0 | 0 | 114.3 | T1176 | T1176-S1178 PolarHBondContact O-N 3.33Š|
| 1179 | D | 36.4 | Very low | 50.6 | Low | 83 Ų | 83 | 77 Ų | 77 | 44% | 0.444 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -80.4 | 129.6 | 179.7 | -61.8 | -25.7 | 0 | 0 | 0 | 108.7 | T1176 | T1176-D1179 PolarHBondContact O-N 3.14Š|
| 1180 | G | 45.8 | Very low | 53.3 | Low | 55 Ų | 55 | 72.7 Ų | 72.7 | 57% | 0.567 | 44% | 0.439 | S | S | * | . | trans | -63.8 | -150.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I1182 | G1180-I1182 PolarHBondContact O-N 3.24Š| ||
| 1181 | P | 49.1 | Very low | 56.1 | Low | 131 Ų | 131 | 70.1 Ų | 70.1 | 85% | 0.851 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -50.6 | 132.9 | -176.9 | 20.4 | -30.9 | 0 | 0 | 0 | 111.4 | D1183 | P1181-D1183 PolarHBondContact O-N 2.65Š|
| 1182 | I | 54.3 | Low | 58.4 | Low | 61 Ų | 61 | 70.4 Ų | 70.4 | 31% | 0.313 | 41% | 0.409 | S | S | . | . | trans | -63 | 96.4 | -172.2 | -57.2 | 168.2 | 0 | 0 | 0 | 109 | G1180 Y1323 R1326 | G1180-I1182 PolarHBondContact O-N 3.24Å; I1182-Y1323 HydrophobicContact CG2-CD2 3.92Å; I1182-Y1323 HydrophobicContact CG2-CE1 4.41Å; I1182-Y1323 HydrophobicContact CG2-CE2 3.22Å; I1182-R1326 HydrophobicContact CD1-CB 4.48Å; I1182-R1326 HydrophobicContact CD1-CG 3.89Å | ||
| 1183 | D | 64.2 | Low | 61.1 | Low | 94 Ų | 94 | 64.3 Ų | 64.3 | 50% | 0.503 | 38% | 0.382 | S | S | . | . | trans | -95.3 | 142.5 | 175.5 | -154.6 | -17.9 | 0 | 0 | 0 | 110.5 | P1181 D1185 S1186 | P1181-D1183 PolarHBondContact O-N 2.65Å; D1183-D1185 PolarHBondContact O-N 3.21Å; D1183-S1186 WeakPolarHBondContact O-CB 3.4Å; D1183-S1186 PolarHBondContact O-N 3.26Å; D1183-S1186 VanDerWaalsContact O-N 3.08Å; D1183-S1186 PolarHBondContact O-OG 3.33Å | ||
| 1184 | L | 71.9 | Confident | 62.7 | Low | 32 Ų | 32 | 66.3 Ų | 66.3 | 17% | 0.168 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.3 | -29.5 | 176.4 | -91.4 | 156 | 0 | 0 | 0 | 111.3 | S1186 L1187 F1188 E1215 M1218 | L1184-S1186 PolarHBondContact O-N 3.34Å; L1184-S1186 VanDerWaalsContact O-N 3.12Å; L1184-L1187 HydrophobicContact CD2-CD2 4.37Å; L1184-L1187 WeakPolarHBondContact O-CB 3.45Å; L1184-L1187 PolarHBondContact O-N 2.93Å; L1184-F1188 HydrophobicContact CB-CE2 4.03Å; L1184-F1188 HydrophobicContact CB-CZ 4.4Å; L1184-F1188 HydrophobicContact CD2-CZ 4.34Å; L1184-F1188 WeakPolarHBondContact O-CD2 3.43Å; L1184-F1188 PolarHBondContact O-N 2.84Å; L1184-E1215 HydrophobicContact CD1-CG 4.33Å; L1184-M1218 HydrophobicContact CD2-CB 4.39Å |
| 1185 | D | 72.7 | Confident | 64.1 | Low | 108 Ų | 108 | 67.7 Ų | 67.7 | 58% | 0.578 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -53.9 | -32.7 | 174.3 | -75.3 | -13 | 0 | 0 | 0 | 113.2 | D1183 F1188 S1189 | D1183-D1185 PolarHBondContact O-N 3.21Å; D1185-F1188 PolarHBondContact O-N 3.21Å; D1185-S1189 PolarHBondContact O-N 3.35Å; D1185-S1189 VanDerWaalsContact O-N 3.13Å |
| 1186 | S | 71.4 | Confident | 65.5 | Low | 33 Ų | 33 | 70.1 Ų | 70.1 | 23% | 0.231 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -69.8 | -31.9 | 177.6 | 70 | 0 | 0 | 0 | 0 | 113.1 | D1183 L1184 S1189 | D1183-S1186 WeakPolarHBondContact O-CB 3.4Å; D1183-S1186 PolarHBondContact O-N 3.26Å; D1183-S1186 VanDerWaalsContact O-N 3.08Å; D1183-S1186 PolarHBondContact O-OG 3.33Å; L1184-S1186 PolarHBondContact O-N 3.34Å; L1184-S1186 VanDerWaalsContact O-N 3.12Å; S1186-S1189 PolarHBondContact O-OG 2.98Å |
| 1187 | L | 80 | Confident | 67.5 | Low | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70 | -45.3 | 174.2 | 178.5 | 67 | 0 | 0 | 0 | 110 | F1175 L1184 S1189 K1190 L1191 V1214 M1218 L1319 Y1323 | F1175-L1187 HydrophobicContact CZ-CD1 4.24Å; L1184-L1187 HydrophobicContact CD2-CD2 4.37Å; L1184-L1187 WeakPolarHBondContact O-CB 3.45Å; L1184-L1187 PolarHBondContact O-N 2.93Å; L1187-S1189 VanDerWaalsContact C-N 3.27Å; L1187-S1189 PolarHBondContact O-N 3.5Å; L1187-K1190 PolarHBondContact O-N 3.23Å; L1187-L1191 PolarHBondContact O-N 3.12Å; L1187-V1214 HydrophobicContact CD2-CG1 4.34Å; L1187-M1218 HydrophobicContact CD2-CE 3.96Å; L1187-M1218 HydrophobicContact CD2-CG 4.12Å; L1187-M1218 HydrophobicContact CD2-SD 4.46Å; L1187-L1319 HydrophobicContact CD1-CD2 3.97Å; L1187-L1319 HydrophobicContact CD1-CG 3.83Å; L1187-Y1323 HydrophobicContact CB-CD2 4.11Å; L1187-Y1323 HydrophobicContact CB-CE2 4.44Å; L1187-Y1323 HydrophobicContact CD2-CG 4.48Å |
| 1188 | F | 79.8 | Confident | 69.4 | Low | 33 Ų | 33 | 66.3 Ų | 66.3 | 15% | 0.145 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.1 | -33.9 | 179.9 | -60.8 | -41.1 | 0 | 0 | 0 | 112.9 | L1184 D1185 K1190 L1191 F1211 E1215 | L1184-F1188 HydrophobicContact CB-CE2 4.03Å; L1184-F1188 HydrophobicContact CB-CZ 4.4Å; L1184-F1188 HydrophobicContact CD2-CZ 4.34Å; L1184-F1188 WeakPolarHBondContact O-CD2 3.43Å; L1184-F1188 PolarHBondContact O-N 2.84Å; D1185-F1188 PolarHBondContact O-N 3.21Å; F1188-K1190 PolarHBondContact O-N 3.15Å; F1188-K1190 VanDerWaalsContact O-N 3.17Å; F1188-L1191 HydrophobicContact CD1-CD1 4.2Å; F1188-L1191 PolarHBondContact O-N 3.18Å; F1188-F1211 HydrophobicContact CB-CD1 3.88Å; F1188-F1211 HydrophobicContact CB-CE1 4.13Å; F1188-F1211 HydrophobicContact CD1-CB 4.41Å; F1188-F1211 AromaticContact CD1-CD1 3.73Å; F1188-F1211 HydrophobicContact CD1-CD1 3.73Å; F1188-F1211 WeakPolarHBondContact CE1-O 3.29Å; F1188-F1211 HydrophobicContact CG-CD1 4Å; F1188-E1215 HydrophobicContact CE1-CB 4.23Å; F1188-E1215 HydrophobicContact CZ-CB 3.65Å; F1188-E1215 HydrophobicContact CZ-CG 3.83Å |
| 1189 | S | 75.9 | Confident | 71.5 | Confident | 91 Ų | 91 | 61.6 Ų | 61.6 | 64% | 0.636 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -15.9 | 176.4 | 73.7 | 0 | 0 | 0 | 0 | 114.9 | D1185 S1186 L1187 | D1185-S1189 PolarHBondContact O-N 3.35Å; D1185-S1189 VanDerWaalsContact O-N 3.13Å; S1186-S1189 PolarHBondContact O-OG 2.98Å; L1187-S1189 VanDerWaalsContact C-N 3.27Å; L1187-S1189 PolarHBondContact O-N 3.5Å |
| 1190 | K | 79.7 | Confident | 74 | Confident | 58 Ų | 58 | 58 Ų | 58 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 0.7 | -174.2 | -62.8 | -179.5 | -169.6 | 166.8 | 0 | 113.6 | P1174 F1175 L1187 F1188 E1192 L1319 | P1174-K1190 HydrophobicContact CB-CD 4.13Å; P1174-K1190 WeakPolarHBondContact O-CE 3.42Å; P1174-K1190 PolarHBondContact O-NZ 3.4Å; F1175-K1190 HydrophobicContact CD1-CD 4.29Å; F1175-K1190 HydrophobicContact CE1-CD 3.81Å; F1175-K1190 HydrophobicContact CZ-CD 3.97Å; L1187-K1190 PolarHBondContact O-N 3.23Å; F1188-K1190 PolarHBondContact O-N 3.15Å; F1188-K1190 VanDerWaalsContact O-N 3.17Å; K1190-E1192 PolarHBondContact O-N 2.81Å; K1190-L1319 HydrophobicContact CB-CD1 4.3Å; K1190-L1319 HydrophobicContact CB-CD2 4.02Å; K1190-L1319 WeakPolarHBondContact O-CD2 2.92Å |
| 1191 | L | 83.4 | Confident | 75.8 | Confident | 20 Ų | 20 | 61.4 Ų | 61.4 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | trans | -68.2 | 126.2 | -178.6 | -136.4 | 134.7 | 0 | 0 | 0 | 109.7 | L1187 F1188 V1210 F1211 V1214 N1316 | L1187-L1191 PolarHBondContact O-N 3.12Å; F1188-L1191 HydrophobicContact CD1-CD1 4.2Å; F1188-L1191 PolarHBondContact O-N 3.18Å; L1191-V1210 HydrophobicContact CD2-CG1 4.06Å; L1191-F1211 HydrophobicContact CB-CE1 4.27Å; L1191-V1214 HydrophobicContact CD1-CB 4.21Å; L1191-V1214 HydrophobicContact CD1-CG1 3.93Å; L1191-V1214 HydrophobicContact CD1-CG2 4.1Å; L1191-V1214 HydrophobicContact CD2-CG2 4.37Å; L1191-N1316 HydrophobicContact CD2-CB 4.45Å; L1191-N1316 WeakPolarHBondContact CG-OD1 3.44Å | ||
| 1192 | E | 76.5 | Confident | 77.4 | Confident | 135 Ų | 135 | 60.7 Ų | 60.7 | 63% | 0.631 | 33% | 0.33 | S | S | * | . | trans | -92.6 | 124.3 | -178.1 | -65.4 | -172.2 | 175.3 | 0 | 0 | 109.4 | K1190 N1316 | K1190-E1192 PolarHBondContact O-N 2.81Å; E1192-N1316 PolarHBondContact N-OD1 3.3Å; E1192-N1316 PolarHBondContact O-ND2 3.35Å; E1192-N1316 PolarHBondContact O-OD1 3.21Å | ||
| 1193 | I | 83.9 | Confident | 78.9 | Confident | 38 Ų | 38 | 60.6 Ų | 60.6 | 20% | 0.195 | 33% | 0.33 | C | S | . | . | trans | -120.1 | 98.8 | 174 | -58.8 | 177.1 | 0 | 0 | 0 | 107.2 | F1200 K1207 V1210 F1211 L1312 | I1193-F1200 HydrophobicContact CG2-CD2 3.75Å; I1193-F1200 HydrophobicContact CG2-CE2 3.88Å; I1193-K1207 HydrophobicContact CD1-CB 4.4Å; I1193-K1207 HydrophobicContact CG2-CD 4.26Å; I1193-K1207 HydrophobicContact CG2-CG 4.45Å; I1193-V1210 HydrophobicContact CD1-CB 4.35Å; I1193-V1210 HydrophobicContact CD1-CG1 4.28Å; I1193-F1211 HydrophobicContact CD1-CE2 4.28Å; I1193-F1211 HydrophobicContact CD1-CZ 4.3Å; I1193-L1312 HydrophobicContact CG1-CD2 4.23Å; I1193-L1312 HydrophobicContact CG2-CD2 4.27Å | ||
| 1194 | H | 72.4 | Confident | 79.9 | Confident | 94 Ų | 94 | 60.2 Ų | 60.2 | 44% | 0.435 | 33% | 0.333 | S | S | . | . | trans | -60.2 | 138.2 | -176.2 | -158.5 | -90.3 | 0 | 0 | 0 | 112.3 | S1196 E1315 | H1194-S1196 PolarHBondContact CE1-OG 2.93Å; H1194-S1196 WeakPolarHBondContact ND1-CB 3.42Å; H1194-S1196 PolarHBondContact ND1-N 3.29Å; H1194-S1196 PolarHBondContact ND1-OG 3.07Å; H1194-S1196 PolarHBondContact O-N 2.82Å; H1194-E1315 WeakPolarHBondContact CB-OE1 3.33Å; H1194-E1315 WeakPolarHBondContact CB-OE2 3.35Å; H1194-E1315 IonicContact CD2-OE1 3.51Å; H1194-E1315 IonicContact CG-OE1 2.62Å | ||
| 1195 | S | 74.7 | Confident | 80.5 | Confident | 95 Ų | 95 | 62.5 Ų | 62.5 | 66% | 0.664 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -13.8 | -174.6 | 59.1 | 0 | 0 | 0 | 0 | 113.7 | I1197 Q1201 | S1195-I1197 VanDerWaalsContact C-N 3.33Å; S1195-Q1201 PolarHBondContact O-NE2 2.97Å |
| 1196 | S | 74.7 | Confident | 81.1 | Confident | 62 Ų | 62 | 57.9 Ų | 57.9 | 43% | 0.434 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -16.7 | 179.6 | 66.5 | 0 | 0 | 0 | 0 | 114.2 | H1194 T1198 | H1194-S1196 PolarHBondContact CE1-OG 2.93Å; H1194-S1196 WeakPolarHBondContact ND1-CB 3.42Å; H1194-S1196 PolarHBondContact ND1-N 3.29Å; H1194-S1196 PolarHBondContact ND1-OG 3.07Å; H1194-S1196 PolarHBondContact O-N 2.82Å; S1196-T1198 PolarHBondContact O-N 3.05Å |
| 1197 | I | 85.5 | Confident | 81.8 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | trans | -67.1 | 104.7 | -176.2 | -59 | 174.6 | 0 | 0 | 0 | 108.8 | S1195 L1199 F1200 Q1201 A1308 I1311 L1312 | S1195-I1197 VanDerWaalsContact C-N 3.33Å; I1197-L1199 HydrophobicContact CG2-CB 4.07Å; I1197-L1199 PolarHBondContact O-N 3.25Å; I1197-F1200 HydrophobicContact CB-CD2 3.8Å; I1197-F1200 HydrophobicContact CB-CE2 4.34Å; I1197-F1200 HydrophobicContact CD1-CD2 4.11Å; I1197-F1200 HydrophobicContact CD1-CE2 3.95Å; I1197-F1200 HydrophobicContact CG2-CD2 3.62Å; I1197-F1200 HydrophobicContact CG2-CE2 3.89Å; I1197-F1200 HydrophobicContact CG2-CG 4.36Å; I1197-F1200 PolarHBondContact O-N 3.45Å; I1197-Q1201 PolarHBondContact O-N 3.48Å; I1197-A1308 HydrophobicContact CG2-CB 3.52Å; I1197-I1311 HydrophobicContact CD1-CB 4.43Å; I1197-I1311 HydrophobicContact CD1-CG2 4.01Å; I1197-I1311 HydrophobicContact CG1-CG2 4.25Å; I1197-L1312 HydrophobicContact CD1-CD2 3.91Å; I1197-L1312 HydrophobicContact CD1-CG 3.95Å | ||
| 1198 | T | 82 | Confident | 82 | Confident | 59 Ų | 59 | 67 Ų | 67 | 36% | 0.362 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -55.5 | -35.8 | -175.3 | 49.4 | 0 | 0 | 0 | 0 | 112 | S1196 F1200 Q1201 I1202 M1304 | S1196-T1198 PolarHBondContact O-N 3.05Å; T1198-F1200 VanDerWaalsContact C-N 3.29Å; T1198-F1200 PolarHBondContact O-N 2.86Å; T1198-Q1201 WeakPolarHBondContact O-CB 3.45Å; T1198-Q1201 PolarHBondContact O-N 3.48Å; T1198-Q1201 VanDerWaalsContact O-N 3.14Å; T1198-I1202 WeakPolarHBondContact O-CG1 3.11Å; T1198-I1202 PolarHBondContact O-N 3.35Å; T1198-M1304 VanDerWaalsContact C-CE 3.41Å; T1198-M1304 WeakPolarHBondContact OG1-CE 3.31Å |
| 1199 | L | 87.4 | Confident | 82.4 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.016 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -54.1 | -43.9 | 176.3 | -171.5 | 71.3 | 0 | 0 | 0 | 112.4 | I1197 N1203 L1206 L1290 M1304 I1305 A1308 | I1197-L1199 HydrophobicContact CG2-CB 4.07Å; I1197-L1199 PolarHBondContact O-N 3.25Å; L1199-N1203 PolarHBondContact O-N 2.94Å; L1199-L1206 HydrophobicContact CD1-CD1 4.33Å; L1199-L1206 HydrophobicContact CD2-CD1 4.46Å; L1199-L1206 HydrophobicContact CG-CD1 4.18Å; L1199-L1290 HydrophobicContact CD2-CD1 4.07Å; L1199-L1290 HydrophobicContact CD2-CD2 4.13Å; L1199-M1304 HydrophobicContact CB-CB 4.36Å; L1199-M1304 HydrophobicContact CB-CE 4.32Å; L1199-M1304 HydrophobicContact CD1-CB 4.07Å; L1199-M1304 VanDerWaalsContact N-CE 3.32Å; L1199-I1305 HydrophobicContact CD1-CG1 4.01Å; L1199-I1305 HydrophobicContact CD2-CG1 3.93Å; L1199-A1308 HydrophobicContact CB-CB 4.27Å; L1199-A1308 HydrophobicContact CD2-CB 3.87Å |
| 1200 | F | 87.7 | Confident | 83.1 | Confident | 8 Ų | 8 | 64.2 Ų | 64.2 | 4% | 0.035 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -83.5 | -19.4 | -179.3 | -60.2 | -47.7 | 0 | 0 | 0 | 113.9 | I1193 I1197 T1198 P1204 L1206 K1207 V1210 L1290 L1312 | I1193-F1200 HydrophobicContact CG2-CD2 3.75Å; I1193-F1200 HydrophobicContact CG2-CE2 3.88Å; I1197-F1200 HydrophobicContact CB-CD2 3.8Å; I1197-F1200 HydrophobicContact CB-CE2 4.34Å; I1197-F1200 HydrophobicContact CD1-CD2 4.11Å; I1197-F1200 HydrophobicContact CD1-CE2 3.95Å; I1197-F1200 HydrophobicContact CG2-CD2 3.62Å; I1197-F1200 HydrophobicContact CG2-CE2 3.89Å; I1197-F1200 HydrophobicContact CG2-CG 4.36Å; I1197-F1200 PolarHBondContact O-N 3.45Å; T1198-F1200 VanDerWaalsContact C-N 3.29Å; T1198-F1200 PolarHBondContact O-N 2.86Å; F1200-P1204 WeakPolarHBondContact O-CA 3.43Å; F1200-L1206 HydrophobicContact CD1-CB 4.05Å; F1200-L1206 HydrophobicContact CE1-CB 3.92Å; F1200-K1207 HydrophobicContact CB-CD 4.48Å; F1200-K1207 HydrophobicContact CB-CG 4.06Å; F1200-K1207 HydrophobicContact CD1-CG 3.69Å; F1200-K1207 HydrophobicContact CD2-CG 4.37Å; F1200-K1207 HydrophobicContact CE1-CG 4.23Å; F1200-K1207 HydrophobicContact CG-CG 3.79Å; F1200-V1210 HydrophobicContact CE1-CG2 4.02Å; F1200-V1210 HydrophobicContact CE2-CG2 4.3Å; F1200-V1210 HydrophobicContact CZ-CG2 3.46Å; F1200-V1210 VanDerWaalsContact CZ-CG2 3.46Å; F1200-L1290 HydrophobicContact CE1-CD2 4.28Å; F1200-L1312 HydrophobicContact CE2-CD1 3.8Å; F1200-L1312 HydrophobicContact CE2-CD2 4.24Å; F1200-L1312 HydrophobicContact CE2-CG 4.34Å; F1200-L1312 HydrophobicContact CZ-CD1 3.79Å |
| 1201 | Q | 84.8 | Confident | 83.5 | Confident | 126 Ų | 126 | 64.9 Ų | 64.9 | 59% | 0.589 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -69 | -39.3 | 169.5 | -64.5 | 179.9 | -1.8 | 0 | 0 | 110.6 | S1195 I1197 T1198 | S1195-Q1201 PolarHBondContact O-NE2 2.97Å; I1197-Q1201 PolarHBondContact O-N 3.48Å; T1198-Q1201 WeakPolarHBondContact O-CB 3.45Å; T1198-Q1201 PolarHBondContact O-N 3.48Å; T1198-Q1201 VanDerWaalsContact O-N 3.14Å |
| 1202 | I | 83.3 | Confident | 83.6 | Confident | 117 Ų | 117 | 66.4 Ų | 66.4 | 60% | 0.6 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -77.4 | -43 | 178.4 | -60.3 | 179.4 | 0 | 0 | 0 | 111.2 | T1198 M1304 | T1198-I1202 WeakPolarHBondContact O-CG1 3.11Å; T1198-I1202 PolarHBondContact O-N 3.35Å; I1202-M1304 HydrophobicContact CD1-CE 3.45Å; I1202-M1304 VanDerWaalsContact CD1-CE 3.45Å; I1202-M1304 HydrophobicContact CD1-SD 4.26Å; I1202-M1304 HydrophobicContact CG1-CE 4.33Å |
| 1203 | N | 85.7 | Confident | 84.3 | Confident | 59 Ų | 59 | 60 Ų | 60 | 32% | 0.316 | 33% | 0.328 | S | S | . | . | trans | -129.1 | 82.8 | -177.6 | -109.2 | -18.2 | 0 | 0 | 0 | 111.8 | L1199 S1205 L1206 Y1294 | L1199-N1203 PolarHBondContact O-N 2.94Å; N1203-S1205 PolarHBondContact O-N 3.47Å; N1203-L1206 HydrophobicContact CB-CD1 3.66Å; N1203-L1206 HydrophobicContact CB-CG 3.96Å; N1203-L1206 PolarHBondContact O-N 2.88Å; N1203-Y1294 PolarHBondContact ND2-OH 3.15Å | ||
| 1204 | P | 84.7 | Confident | 84.7 | Confident | 85 Ų | 85 | 58.3 Ų | 58.3 | 55% | 0.552 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -62.3 | -25.9 | -177.9 | -21.9 | 31.9 | 0 | 0 | 0 | 114.1 | F1200 L1206 K1207 | F1200-P1204 WeakPolarHBondContact O-CA 3.43Å; P1204-L1206 PolarHBondContact O-N 2.87Å; P1204-K1207 WeakPolarHBondContact O-CB 3.38Å; P1204-K1207 PolarHBondContact O-N 3.47Å |
| 1205 | S | 84.1 | Confident | 85.5 | Confident | 80 Ų | 80 | 57.9 Ų | 57.9 | 56% | 0.559 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -62.3 | -29.3 | 178.4 | 47.8 | 0 | 0 | 0 | 0 | 113 | N1203 K1207 Q1208 | N1203-S1205 PolarHBondContact O-N 3.47Å; S1205-K1207 PolarHBondContact O-N 2.96Å; S1205-Q1208 PolarHBondContact O-N 3.5Å |
| 1206 | L | 86.7 | Confident | 86.3 | Confident | 11 Ų | 11 | 58 Ų | 58 | 6% | 0.058 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -66.7 | -15.8 | 179.2 | -66.4 | 175.3 | 0 | 0 | 0 | 113.4 | L1199 F1200 N1203 P1204 Q1208 E1209 L1290 S1293 Y1294 | L1199-L1206 HydrophobicContact CD1-CD1 4.33Å; L1199-L1206 HydrophobicContact CD2-CD1 4.46Å; L1199-L1206 HydrophobicContact CG-CD1 4.18Å; F1200-L1206 HydrophobicContact CD1-CB 4.05Å; F1200-L1206 HydrophobicContact CE1-CB 3.92Å; N1203-L1206 HydrophobicContact CB-CD1 3.66Å; N1203-L1206 HydrophobicContact CB-CG 3.96Å; N1203-L1206 PolarHBondContact O-N 2.88Å; P1204-L1206 PolarHBondContact O-N 2.87Å; L1206-Q1208 PolarHBondContact O-N 3.24Å; L1206-E1209 WeakPolarHBondContact O-CB 3.39Å; L1206-E1209 PolarHBondContact O-N 2.84Å; L1206-L1290 HydrophobicContact CB-CD2 4.28Å; L1206-S1293 WeakPolarHBondContact CD2-OG 3.41Å; L1206-Y1294 HydrophobicContact CD1-CE2 3.69Å; L1206-Y1294 WeakPolarHBondContact CD1-OH 3.06Å |
| 1207 | K | 85.8 | Confident | 87.2 | Confident | 74 Ų | 74 | 55 Ų | 55 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.3 | -27.7 | 174.2 | -69.3 | -169.7 | 178.4 | -166.2 | 0 | 112.4 | I1193 F1200 P1204 S1205 E1209 V1210 F1211 | I1193-K1207 HydrophobicContact CD1-CB 4.4Å; I1193-K1207 HydrophobicContact CG2-CD 4.26Å; I1193-K1207 HydrophobicContact CG2-CG 4.45Å; F1200-K1207 HydrophobicContact CB-CD 4.48Å; F1200-K1207 HydrophobicContact CB-CG 4.06Å; F1200-K1207 HydrophobicContact CD1-CG 3.69Å; F1200-K1207 HydrophobicContact CD2-CG 4.37Å; F1200-K1207 HydrophobicContact CE1-CG 4.23Å; F1200-K1207 HydrophobicContact CG-CG 3.79Å; P1204-K1207 WeakPolarHBondContact O-CB 3.38Å; P1204-K1207 PolarHBondContact O-N 3.47Å; S1205-K1207 PolarHBondContact O-N 2.96Å; K1207-E1209 VanDerWaalsContact C-N 3.27Å; K1207-E1209 PolarHBondContact O-N 3.34Å; K1207-V1210 WeakPolarHBondContact O-CB 3.41Å; K1207-V1210 PolarHBondContact O-N 3.47Å; K1207-F1211 WeakPolarHBondContact O-CD2 3.36Å |
| 1208 | Q | 83.9 | Confident | 87.5 | Confident | 152 Ų | 152 | 54.7 Ų | 54.7 | 71% | 0.71 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -67.5 | -29.5 | 177.3 | -65.9 | -172 | -4.7 | 0 | 0 | 112.4 | S1205 L1206 V1210 | S1205-Q1208 PolarHBondContact O-N 3.5Å; L1206-Q1208 PolarHBondContact O-N 3.24Å; Q1208-V1210 VanDerWaalsContact C-N 3.32Å; Q1208-V1210 PolarHBondContact O-N 3.42Å |
| 1209 | E | 88 | Confident | 87.9 | Confident | 64 Ų | 64 | 54.6 Ų | 54.6 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.4 | -27.7 | 179.2 | -59.5 | -61.7 | 145.1 | 0 | 0 | 112.3 | L1206 K1207 F1211 S1212 A1213 | L1206-E1209 WeakPolarHBondContact O-CB 3.39Å; L1206-E1209 PolarHBondContact O-N 2.84Å; K1207-E1209 VanDerWaalsContact C-N 3.27Å; K1207-E1209 PolarHBondContact O-N 3.34Å; E1209-F1211 VanDerWaalsContact C-N 3.33Å; E1209-F1211 PolarHBondContact O-N 2.86Å; E1209-S1212 PolarHBondContact O-N 3.15Å; E1209-A1213 WeakPolarHBondContact O-CB 2.98Å; E1209-A1213 PolarHBondContact O-N 3.16Å |
| 1210 | V | 90 | Very high | 88 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 177.4 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | L1191 I1193 F1200 K1207 Q1208 S1212 A1213 V1214 L1286 L1312 | L1191-V1210 HydrophobicContact CD2-CG1 4.06Å; I1193-V1210 HydrophobicContact CD1-CB 4.35Å; I1193-V1210 HydrophobicContact CD1-CG1 4.28Å; F1200-V1210 HydrophobicContact CE1-CG2 4.02Å; F1200-V1210 HydrophobicContact CE2-CG2 4.3Å; F1200-V1210 HydrophobicContact CZ-CG2 3.46Å; F1200-V1210 VanDerWaalsContact CZ-CG2 3.46Å; K1207-V1210 WeakPolarHBondContact O-CB 3.41Å; K1207-V1210 PolarHBondContact O-N 3.47Å; Q1208-V1210 VanDerWaalsContact C-N 3.32Å; Q1208-V1210 PolarHBondContact O-N 3.42Å; V1210-S1212 PolarHBondContact O-N 2.89Å; V1210-A1213 PolarHBondContact O-N 2.94Å; V1210-V1214 HydrophobicContact CG1-CG2 4.42Å; V1210-V1214 WeakPolarHBondContact O-CG2 3.33Å; V1210-V1214 PolarHBondContact O-N 3.16Å; V1210-L1286 HydrophobicContact CB-CD2 4.35Å; V1210-L1286 HydrophobicContact CG1-CD2 3.98Å; V1210-L1286 HydrophobicContact CG2-CD2 4.42Å; V1210-L1312 HydrophobicContact CG1-CD1 4.17Å; V1210-L1312 HydrophobicContact CG1-CD2 4.38Å; V1210-L1312 HydrophobicContact CG2-CD1 3.84Å |
| 1211 | F | 88.5 | Confident | 88.2 | Confident | 71 Ų | 71 | 57 Ų | 57 | 31% | 0.311 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 179.8 | -65.4 | -78.6 | 0 | 0 | 0 | 111.5 | F1188 L1191 I1193 K1207 E1209 A1213 V1214 E1215 | F1188-F1211 HydrophobicContact CB-CD1 3.88Å; F1188-F1211 HydrophobicContact CB-CE1 4.13Å; F1188-F1211 HydrophobicContact CD1-CB 4.41Å; F1188-F1211 AromaticContact CD1-CD1 3.73Å; F1188-F1211 HydrophobicContact CD1-CD1 3.73Å; F1188-F1211 WeakPolarHBondContact CE1-O 3.29Å; F1188-F1211 HydrophobicContact CG-CD1 4Å; L1191-F1211 HydrophobicContact CB-CE1 4.27Å; I1193-F1211 HydrophobicContact CD1-CE2 4.28Å; I1193-F1211 HydrophobicContact CD1-CZ 4.3Å; K1207-F1211 WeakPolarHBondContact O-CD2 3.36Å; E1209-F1211 VanDerWaalsContact C-N 3.33Å; E1209-F1211 PolarHBondContact O-N 2.86Å; F1211-A1213 PolarHBondContact O-N 3.41Å; F1211-V1214 PolarHBondContact O-N 3.37Å; F1211-E1215 WeakPolarHBondContact O-CB 3.21Å; F1211-E1215 PolarHBondContact O-N 2.84Å |
| 1212 | S | 85.2 | Confident | 88.5 | Confident | 52 Ų | 52 | 52.1 Ų | 52.1 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 178.3 | -174.2 | 0 | 0 | 0 | 0 | 112.3 | E1209 V1210 E1215 Q1216 | E1209-S1212 PolarHBondContact O-N 3.15Å; V1210-S1212 PolarHBondContact O-N 2.89Å; S1212-E1215 PolarHBondContact O-N 3.48Å; S1212-Q1216 PolarHBondContact O-N 2.63Å; S1212-Q1216 VanDerWaalsContact O-N 3.1Å |
| 1213 | A | 91.4 | Very high | 88.7 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1209 V1210 F1211 A1217 N1285 L1286 R1289 | E1209-A1213 WeakPolarHBondContact O-CB 2.98Å; E1209-A1213 PolarHBondContact O-N 3.16Å; V1210-A1213 PolarHBondContact O-N 2.94Å; F1211-A1213 PolarHBondContact O-N 3.41Å; A1213-A1217 WeakPolarHBondContact O-CB 3.23Å; A1213-A1217 PolarHBondContact O-N 3.39Å; A1213-A1217 VanDerWaalsContact O-N 3.08Å; A1213-N1285 HydrophobicContact CB-CB 4.3Å; A1213-L1286 HydrophobicContact CB-CD2 3.75Å; A1213-L1286 HydrophobicContact CB-CG 4.11Å; A1213-R1289 HydrophobicContact CB-CB 4.31Å; A1213-R1289 HydrophobicContact CB-CG 4.33Å |
| 1214 | V | 91.4 | Very high | 88.8 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 175.7 | 175 | 0 | 0 | 0 | 0 | 110.7 | L1187 L1191 V1210 F1211 Q1216 A1217 M1218 L1282 | L1187-V1214 HydrophobicContact CD2-CG1 4.34Å; L1191-V1214 HydrophobicContact CD1-CB 4.21Å; L1191-V1214 HydrophobicContact CD1-CG1 3.93Å; L1191-V1214 HydrophobicContact CD1-CG2 4.1Å; L1191-V1214 HydrophobicContact CD2-CG2 4.37Å; V1210-V1214 HydrophobicContact CG1-CG2 4.42Å; V1210-V1214 WeakPolarHBondContact O-CG2 3.33Å; V1210-V1214 PolarHBondContact O-N 3.16Å; F1211-V1214 PolarHBondContact O-N 3.37Å; V1214-Q1216 VanDerWaalsContact C-N 3.34Å; V1214-Q1216 PolarHBondContact O-N 2.66Å; V1214-A1217 PolarHBondContact O-N 3.02Å; V1214-M1218 HydrophobicContact CG1-CG 4.12Å; V1214-M1218 WeakPolarHBondContact O-CG 3.44Å; V1214-M1218 PolarHBondContact O-N 3.46Å; V1214-L1282 HydrophobicContact CB-CD2 4.19Å; V1214-L1282 HydrophobicContact CG1-CD2 4.05Å; V1214-L1282 HydrophobicContact CG2-CD2 3.82Å |
| 1215 | E | 90.3 | Very high | 88.9 | Confident | 85 Ų | 85 | 52.6 Ų | 52.6 | 40% | 0.397 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -54.5 | -51 | 176.4 | -165.5 | 175.2 | -176.1 | 0 | 0 | 111.6 | L1184 F1188 F1211 S1212 A1217 M1218 V1219 | L1184-E1215 HydrophobicContact CD1-CG 4.33Å; F1188-E1215 HydrophobicContact CE1-CB 4.23Å; F1188-E1215 HydrophobicContact CZ-CB 3.65Å; F1188-E1215 HydrophobicContact CZ-CG 3.83Å; F1211-E1215 WeakPolarHBondContact O-CB 3.21Å; F1211-E1215 PolarHBondContact O-N 2.84Å; S1212-E1215 PolarHBondContact O-N 3.48Å; E1215-A1217 PolarHBondContact O-N 3.37Å; E1215-M1218 PolarHBondContact O-N 3.07Å; E1215-V1219 WeakPolarHBondContact O-CG2 3.28Å; E1215-V1219 PolarHBondContact O-N 3.03Å |
| 1216 | Q | 91.4 | Very high | 89.2 | Confident | 97 Ų | 97 | 52.5 Ų | 52.5 | 45% | 0.453 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | -179.8 | -171.7 | 61.1 | 44 | 0 | 0 | 111.3 | S1212 V1214 M1218 V1219 D1220 | S1212-Q1216 PolarHBondContact O-N 2.63Å; S1212-Q1216 VanDerWaalsContact O-N 3.1Å; V1214-Q1216 VanDerWaalsContact C-N 3.34Å; V1214-Q1216 PolarHBondContact O-N 2.66Å; Q1216-M1218 VanDerWaalsContact C-N 3.3Å; Q1216-M1218 PolarHBondContact O-N 3.38Å; Q1216-V1219 PolarHBondContact O-N 3.46Å; Q1216-D1220 PolarHBondContact NE2-OD1 3.06Å; Q1216-D1220 WeakPolarHBondContact O-CB 3.49Å; Q1216-D1220 PolarHBondContact O-N 3.47Å |
| 1217 | A | 93.4 | Very high | 89 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.2 | -40.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1213 V1214 E1215 V1221 A1281 L1282 N1285 | A1213-A1217 WeakPolarHBondContact O-CB 3.23Å; A1213-A1217 PolarHBondContact O-N 3.39Å; A1213-A1217 VanDerWaalsContact O-N 3.08Å; V1214-A1217 PolarHBondContact O-N 3.02Å; E1215-A1217 PolarHBondContact O-N 3.37Å; A1217-V1221 VanDerWaalsContact O-CG2 3.28Å; A1217-V1221 WeakPolarHBondContact O-CG2 3.46Å; A1217-V1221 PolarHBondContact O-N 2.67Å; A1217-V1221 VanDerWaalsContact O-N 3.12Å; A1217-A1281 HydrophobicContact CB-CB 3.85Å; A1217-L1282 HydrophobicContact CB-CD2 3.86Å; A1217-L1282 HydrophobicContact CB-CG 4.12Å; A1217-N1285 VanDerWaalsContact CA-ND2 3.34Å; A1217-N1285 WeakPolarHBondContact CA-ND2 3.33Å; A1217-N1285 PolarHBondContact N-ND2 3.4Å |
| 1218 | M | 91.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 178.2 | -68.8 | -65.8 | -72.7 | 0 | 0 | 111.6 | L1184 L1187 V1214 E1215 Q1216 D1220 V1221 I1222 L1278 C1320 Y1323 L1324 | L1184-M1218 HydrophobicContact CD2-CB 4.39Å; L1187-M1218 HydrophobicContact CD2-CE 3.96Å; L1187-M1218 HydrophobicContact CD2-CG 4.12Å; L1187-M1218 HydrophobicContact CD2-SD 4.46Å; V1214-M1218 HydrophobicContact CG1-CG 4.12Å; V1214-M1218 WeakPolarHBondContact O-CG 3.44Å; V1214-M1218 PolarHBondContact O-N 3.46Å; E1215-M1218 PolarHBondContact O-N 3.07Å; Q1216-M1218 VanDerWaalsContact C-N 3.3Å; Q1216-M1218 PolarHBondContact O-N 3.38Å; M1218-D1220 VanDerWaalsContact C-N 3.35Å; M1218-D1220 PolarHBondContact O-N 2.82Å; M1218-V1221 PolarHBondContact O-N 3.19Å; M1218-I1222 WeakPolarHBondContact O-CB 3.19Å; M1218-I1222 WeakPolarHBondContact O-CG1 3.3Å; M1218-I1222 PolarHBondContact O-N 3.35Å; M1218-L1278 HydrophobicContact SD-CD1 3.57Å; M1218-L1278 VanDerWaalsContact SD-CD1 3.57Å; M1218-C1320 HydrophobicContact CE-CB 4.38Å; M1218-C1320 WeakPolarHBondContact CE-O 3.17Å; M1218-C1320 HydrophobicContact SD-CB 3.71Å; M1218-Y1323 HydrophobicContact CE-CD1 3.25Å; M1218-Y1323 HydrophobicContact CE-CE1 3.94Å; M1218-Y1323 HydrophobicContact CE-CG 3.98Å; M1218-L1324 HydrophobicContact CE-CD2 3.63Å; M1218-L1324 HydrophobicContact CE-CG 3.67Å; M1218-L1324 HydrophobicContact SD-CD1 4.45Å; M1218-L1324 HydrophobicContact SD-CD2 4.33Å; M1218-L1324 HydrophobicContact SD-CG 4.22Å |
| 1219 | V | 90.4 | Very high | 88.5 | Confident | 57 Ų | 57 | 54.6 Ų | 54.6 | 35% | 0.345 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 177.2 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | E1215 Q1216 I1222 T1223 | E1215-V1219 WeakPolarHBondContact O-CG2 3.28Å; E1215-V1219 PolarHBondContact O-N 3.03Å; Q1216-V1219 PolarHBondContact O-N 3.46Å; V1219-I1222 PolarHBondContact O-N 2.95Å; V1219-T1223 WeakPolarHBondContact O-CB 3.5Å; V1219-T1223 PolarHBondContact O-N 3.48Å; V1219-T1223 PolarHBondContact O-OG1 3.08Å |
| 1220 | D | 88.9 | Confident | 88.6 | Confident | 57 Ų | 57 | 52.1 Ų | 52.1 | 31% | 0.305 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.5 | -50.2 | 179.5 | -67 | -20.9 | 0 | 0 | 0 | 110.9 | Q1216 M1218 I1222 T1223 T1224 N1285 | Q1216-D1220 PolarHBondContact NE2-OD1 3.06Å; Q1216-D1220 WeakPolarHBondContact O-CB 3.49Å; Q1216-D1220 PolarHBondContact O-N 3.47Å; M1218-D1220 VanDerWaalsContact C-N 3.35Å; M1218-D1220 PolarHBondContact O-N 2.82Å; D1220-I1222 PolarHBondContact O-N 3.19Å; D1220-T1223 PolarHBondContact O-N 3.07Å; D1220-T1224 WeakPolarHBondContact O-CB 3.5Å; D1220-T1224 PolarHBondContact O-N 2.86Å; D1220-T1224 PolarHBondContact O-OG1 3.47Å; D1220-N1285 PolarHBondContact OD2-ND2 3.16Å |
| 1221 | V | 92.5 | Very high | 88.3 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.03 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.6 | -43.3 | -178.9 | 176.7 | 0 | 0 | 0 | 0 | 111.5 | A1217 M1218 T1223 T1224 K1225 C1274 P1277 L1278 A1281 L1324 | A1217-V1221 VanDerWaalsContact O-CG2 3.28Å; A1217-V1221 WeakPolarHBondContact O-CG2 3.46Å; A1217-V1221 PolarHBondContact O-N 2.67Å; A1217-V1221 VanDerWaalsContact O-N 3.12Å; M1218-V1221 PolarHBondContact O-N 3.19Å; V1221-T1223 PolarHBondContact O-N 3.44Å; V1221-T1224 PolarHBondContact O-N 3.41Å; V1221-K1225 HydrophobicContact CG1-CG 4.35Å; V1221-K1225 WeakPolarHBondContact O-CB 3.42Å; V1221-K1225 WeakPolarHBondContact O-CG 3.03Å; V1221-K1225 PolarHBondContact O-N 3.05Å; V1221-C1274 HydrophobicContact CG1-CB 3.76Å; V1221-P1277 HydrophobicContact CG2-CB 4.37Å; V1221-L1278 HydrophobicContact CG2-CB 4.2Å; V1221-L1278 HydrophobicContact CG2-CD1 4.31Å; V1221-A1281 HydrophobicContact CG2-CB 4.02Å; V1221-L1324 HydrophobicContact CB-CD1 4.49Å; V1221-L1324 HydrophobicContact CG1-CD1 3.81Å |
| 1222 | I | 90.6 | Very high | 87.6 | Confident | 24 Ų | 24 | 56.8 Ų | 56.8 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.3 | -51.1 | 177.4 | -70.8 | 168.6 | 0 | 0 | 0 | 109.6 | M1218 V1219 D1220 T1224 K1225 K1226 Y1323 L1324 F1328 | M1218-I1222 WeakPolarHBondContact O-CB 3.19Å; M1218-I1222 WeakPolarHBondContact O-CG1 3.3Å; M1218-I1222 PolarHBondContact O-N 3.35Å; V1219-I1222 PolarHBondContact O-N 2.95Å; D1220-I1222 PolarHBondContact O-N 3.19Å; I1222-T1224 VanDerWaalsContact C-N 3.35Å; I1222-T1224 PolarHBondContact O-N 2.93Å; I1222-K1225 PolarHBondContact O-N 3.07Å; I1222-K1226 WeakPolarHBondContact O-CB 3.37Å; I1222-K1226 PolarHBondContact O-N 3.33Å; I1222-Y1323 HydrophobicContact CD1-CE1 4.41Å; I1222-L1324 HydrophobicContact CD1-CD2 3.68Å; I1222-L1324 HydrophobicContact CG1-CD2 3.24Å; I1222-F1328 HydrophobicContact CG2-CZ 4.36Å |
| 1223 | T | 89.2 | Confident | 87.4 | Confident | 101 Ų | 101 | 54.4 Ų | 54.4 | 62% | 0.62 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.2 | -41.1 | -175.6 | -49.6 | 0 | 0 | 0 | 0 | 111.4 | V1219 D1220 V1221 | V1219-T1223 WeakPolarHBondContact O-CB 3.5Å; V1219-T1223 PolarHBondContact O-N 3.48Å; V1219-T1223 PolarHBondContact O-OG1 3.08Å; D1220-T1223 PolarHBondContact O-N 3.07Å; V1221-T1223 PolarHBondContact O-N 3.44Å |
| 1224 | T | 86.7 | Confident | 87.2 | Confident | 108 Ų | 108 | 56 Ų | 56 | 66% | 0.663 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -76.4 | -28.9 | -175.4 | -40.7 | 0 | 0 | 0 | 0 | 113.2 | D1220 V1221 I1222 | D1220-T1224 WeakPolarHBondContact O-CB 3.5Å; D1220-T1224 PolarHBondContact O-N 2.86Å; D1220-T1224 PolarHBondContact O-OG1 3.47Å; V1221-T1224 PolarHBondContact O-N 3.41Å; I1222-T1224 VanDerWaalsContact C-N 3.35Å; I1222-T1224 PolarHBondContact O-N 2.93Å |
| 1225 | K | 88.1 | Confident | 86.5 | Confident | 62 Ų | 62 | 59 Ų | 59 | 27% | 0.27 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -104.5 | -15 | -174 | -61.5 | -55.8 | -171 | -177.3 | 0 | 115 | V1221 I1222 D1227 R1228 V1229 H1273 | V1221-K1225 HydrophobicContact CG1-CG 4.35Å; V1221-K1225 WeakPolarHBondContact O-CB 3.42Å; V1221-K1225 WeakPolarHBondContact O-CG 3.03Å; V1221-K1225 PolarHBondContact O-N 3.05Å; I1222-K1225 PolarHBondContact O-N 3.07Å; K1225-D1227 PolarHBondContact O-N 2.76Å; K1225-R1228 PolarHBondContact O-N 2.78Å; K1225-V1229 HydrophobicContact CB-CG2 4.34Å; K1225-V1229 WeakPolarHBondContact O-CG2 3.33Å; K1225-V1229 PolarHBondContact O-N 3.48Å; K1225-V1229 VanDerWaalsContact O-N 3.08Å; K1225-H1273 WeakPolarHBondContact CE-O 3.18Å |
| 1226 | K | 89.7 | Confident | 85.8 | Confident | 77 Ų | 77 | 57.8 Ų | 57.8 | 34% | 0.335 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -50.8 | -55.2 | -172.8 | 175.6 | -178.3 | 175 | -164.8 | 0 | 114.8 | I1222 R1228 V1229 L1230 F1328 | I1222-K1226 WeakPolarHBondContact O-CB 3.37Å; I1222-K1226 PolarHBondContact O-N 3.33Å; K1226-R1228 VanDerWaalsContact C-N 3.28Å; K1226-R1228 PolarHBondContact O-N 3.36Å; K1226-V1229 PolarHBondContact O-N 3.44Å; K1226-L1230 HydrophobicContact CG-CD1 3.66Å; K1226-L1230 HydrophobicContact CG-CG 4.41Å; K1226-L1230 WeakPolarHBondContact O-CB 3.12Å; K1226-L1230 WeakPolarHBondContact O-CG 3.4Å; K1226-L1230 PolarHBondContact O-N 3.42Å; K1226-F1328 HydrophobicContact CB-CE1 3.85Å; K1226-F1328 HydrophobicContact CB-CZ 4.35Å; K1226-F1328 HydrophobicContact CG-CE1 4.17Å |
| 1227 | D | 81.6 | Confident | 85.4 | Confident | 112 Ų | 112 | 53.2 Ų | 53.2 | 60% | 0.599 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.7 | -37.8 | -173.6 | -67.7 | -20 | 0 | 0 | 0 | 111.7 | K1225 N1231 | K1225-D1227 PolarHBondContact O-N 2.76Å; D1227-N1231 WeakPolarHBondContact O-CB 3.46Å; D1227-N1231 PolarHBondContact O-N 2.98Å; D1227-N1231 PolarHBondContact O-ND2 3.18Å |
| 1228 | R | 79.7 | Confident | 84.8 | Confident | 169 Ų | 169 | 55 Ų | 55 | 64% | 0.638 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -71.9 | -45.7 | -178.6 | -169.9 | 167.2 | 179.7 | 160.9 | -1.6 | 111.9 | K1225 K1226 I1232 | K1225-R1228 PolarHBondContact O-N 2.78Å; K1226-R1228 VanDerWaalsContact C-N 3.28Å; K1226-R1228 PolarHBondContact O-N 3.36Å; R1228-I1232 HydrophobicContact CG-CD1 3.84Å; R1228-I1232 WeakPolarHBondContact O-CD1 3.37Å; R1228-I1232 VanDerWaalsContact O-CG1 3.31Å; R1228-I1232 WeakPolarHBondContact O-CG1 3.32Å; R1228-I1232 PolarHBondContact O-N 3.39Å |
| 1229 | V | 80.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 178.3 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | K1225 K1226 S1233 M1269 A1270 H1273 F1328 | K1225-V1229 HydrophobicContact CB-CG2 4.34Å; K1225-V1229 WeakPolarHBondContact O-CG2 3.33Å; K1225-V1229 PolarHBondContact O-N 3.48Å; K1225-V1229 VanDerWaalsContact O-N 3.08Å; K1226-V1229 PolarHBondContact O-N 3.44Å; V1229-S1233 WeakPolarHBondContact O-CB 3.38Å; V1229-S1233 PolarHBondContact O-N 2.89Å; V1229-S1233 PolarHBondContact O-OG 2.71Å; V1229-M1269 HydrophobicContact CG1-CB 3.94Å; V1229-A1270 HydrophobicContact CG1-CB 4.48Å; V1229-H1273 HydrophobicContact CG2-CB 3.92Å; V1229-F1328 HydrophobicContact CB-CD1 4.46Å; V1229-F1328 HydrophobicContact CG1-CB 4.14Å; V1229-F1328 HydrophobicContact CG1-CD1 4.15Å; V1229-F1328 HydrophobicContact CG1-CG 4.01Å |
| 1230 | L | 89.5 | Confident | 83 | Confident | 13 Ų | 13 | 60.7 Ų | 60.7 | 7% | 0.068 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.2 | -47.2 | -179 | -66.6 | 178.5 | 0 | 0 | 0 | 112.4 | K1226 I1232 S1233 L1234 F1328 K1331 L1332 | K1226-L1230 HydrophobicContact CG-CD1 3.66Å; K1226-L1230 HydrophobicContact CG-CG 4.41Å; K1226-L1230 WeakPolarHBondContact O-CB 3.12Å; K1226-L1230 WeakPolarHBondContact O-CG 3.4Å; K1226-L1230 PolarHBondContact O-N 3.42Å; L1230-I1232 PolarHBondContact O-N 2.95Å; L1230-S1233 PolarHBondContact O-N 3.43Å; L1230-L1234 WeakPolarHBondContact O-CB 3.33Å; L1230-L1234 PolarHBondContact O-N 3.47Å; L1230-F1328 HydrophobicContact CD2-CD1 4.43Å; L1230-F1328 HydrophobicContact CG-CD1 4.48Å; L1230-K1331 HydrophobicContact CD1-CB 4.36Å; L1230-K1331 HydrophobicContact CD2-CB 4Å; L1230-L1332 HydrophobicContact CD2-CB 3.82Å; L1230-L1332 HydrophobicContact CD2-CD1 4.26Å |
| 1231 | N | 82.8 | Confident | 82.7 | Confident | 102 Ų | 102 | 58 Ų | 58 | 55% | 0.545 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | -174.3 | -74.2 | -29.9 | 0 | 0 | 0 | 113.1 | D1227 S1235 | D1227-N1231 WeakPolarHBondContact O-CB 3.46Å; D1227-N1231 PolarHBondContact O-N 2.98Å; D1227-N1231 PolarHBondContact O-ND2 3.18Å; N1231-S1235 WeakPolarHBondContact O-CB 3.22Å; N1231-S1235 PolarHBondContact O-N 3.03Å |
| 1232 | I | 74.4 | Confident | 81.8 | Confident | 68 Ų | 68 | 62 Ų | 62 | 35% | 0.349 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.4 | -46.9 | 178.7 | -64.4 | 170.7 | 0 | 0 | 0 | 109.8 | R1228 L1230 T1236 M1269 | R1228-I1232 HydrophobicContact CG-CD1 3.84Å; R1228-I1232 WeakPolarHBondContact O-CD1 3.37Å; R1228-I1232 VanDerWaalsContact O-CG1 3.31Å; R1228-I1232 WeakPolarHBondContact O-CG1 3.32Å; R1228-I1232 PolarHBondContact O-N 3.39Å; L1230-I1232 PolarHBondContact O-N 2.95Å; I1232-T1236 WeakPolarHBondContact O-CB 3.5Å; I1232-T1236 PolarHBondContact O-N 2.98Å; I1232-T1236 VanDerWaalsContact O-N 3.09Å; I1232-T1236 PolarHBondContact O-OG1 3.42Å; I1232-M1269 HydrophobicContact CB-CE 3.95Å; I1232-M1269 HydrophobicContact CD1-CE 3.93Å; I1232-M1269 HydrophobicContact CG2-CE 3.66Å |
| 1233 | S | 81.3 | Confident | 81 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.014 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.1 | -43.4 | -178.1 | -50.4 | 0 | 0 | 0 | 0 | 111.5 | V1229 L1230 T1236 C1237 M1269 | V1229-S1233 WeakPolarHBondContact O-CB 3.38Å; V1229-S1233 PolarHBondContact O-N 2.89Å; V1229-S1233 PolarHBondContact O-OG 2.71Å; L1230-S1233 PolarHBondContact O-N 3.43Å; S1233-T1236 PolarHBondContact O-N 3.25Å; S1233-C1237 WeakPolarHBondContact O-CB 3.39Å; S1233-C1237 PolarHBondContact O-N 3.38Å; S1233-C1237 PolarHBondContact O-SG 3.22Å; S1233-M1269 WeakPolarHBondContact OG-CG 3.41Å |
| 1234 | L | 86.1 | Confident | 79.9 | Confident | 34 Ų | 34 | 66.3 Ų | 66.3 | 18% | 0.178 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.6 | -49 | 179.3 | -169.4 | 91.2 | 0 | 0 | 0 | 111.3 | L1230 T1236 C1237 H1238 L1332 E1335 L1336 | L1230-L1234 WeakPolarHBondContact O-CB 3.33Å; L1230-L1234 PolarHBondContact O-N 3.47Å; L1234-T1236 VanDerWaalsContact C-N 3.33Å; L1234-T1236 PolarHBondContact O-N 3.4Å; L1234-C1237 PolarHBondContact O-N 3.33Å; L1234-H1238 WeakPolarHBondContact O-CB 3.39Å; L1234-H1238 PolarHBondContact O-N 2.89Å; L1234-L1332 HydrophobicContact CB-CD1 3.95Å; L1234-L1332 HydrophobicContact CD1-CD1 4.06Å; L1234-E1335 HydrophobicContact CD1-CB 3.66Å; L1234-L1336 HydrophobicContact CD1-CB 4.31Å; L1234-L1336 HydrophobicContact CD1-CD1 4.07Å |
| 1235 | S | 77.6 | Confident | 79.4 | Confident | 65 Ų | 65 | 63.6 Ų | 63.6 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 179.6 | -174.2 | 0 | 0 | 0 | 0 | 111.5 | N1231 H1238 L1239 | N1231-S1235 WeakPolarHBondContact O-CB 3.22Å; N1231-S1235 PolarHBondContact O-N 3.03Å; S1235-H1238 PolarHBondContact O-N 2.8Å; S1235-L1239 WeakPolarHBondContact O-CB 3.35Å; S1235-L1239 WeakPolarHBondContact O-CG 3.37Å; S1235-L1239 PolarHBondContact O-N 3.39Å |
| 1236 | T | 75.6 | Confident | 78.6 | Confident | 61 Ų | 61 | 60.8 Ų | 60.8 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.6 | -51.3 | 178.7 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | I1232 S1233 L1234 H1238 L1239 L1240 | I1232-T1236 WeakPolarHBondContact O-CB 3.5Å; I1232-T1236 PolarHBondContact O-N 2.98Å; I1232-T1236 VanDerWaalsContact O-N 3.09Å; I1232-T1236 PolarHBondContact O-OG1 3.42Å; S1233-T1236 PolarHBondContact O-N 3.25Å; L1234-T1236 VanDerWaalsContact C-N 3.33Å; L1234-T1236 PolarHBondContact O-N 3.4Å; T1236-H1238 PolarHBondContact O-N 3.11Å; T1236-L1239 PolarHBondContact O-N 3Å; T1236-L1240 HydrophobicContact CG2-CD1 3.92Å; T1236-L1240 WeakPolarHBondContact O-CB 3.21Å; T1236-L1240 WeakPolarHBondContact O-CG 3.44Å; T1236-L1240 PolarHBondContact O-N 2.89Å |
| 1237 | C | 83.3 | Confident | 77.5 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 177.5 | -71.3 | 0 | 0 | 0 | 0 | 111.4 | S1233 L1234 L1239 L1240 L1241 M1261 T1265 L1336 | S1233-C1237 WeakPolarHBondContact O-CB 3.39Å; S1233-C1237 PolarHBondContact O-N 3.38Å; S1233-C1237 PolarHBondContact O-SG 3.22Å; L1234-C1237 PolarHBondContact O-N 3.33Å; C1237-L1239 PolarHBondContact O-N 3.21Å; C1237-L1240 PolarHBondContact O-N 3.28Å; C1237-L1241 HydrophobicContact CB-CD1 4.22Å; C1237-L1241 VanDerWaalsContact O-CB 3.24Å; C1237-L1241 WeakPolarHBondContact O-CB 3.17Å; C1237-L1241 VanDerWaalsContact O-CD1 3.23Å; C1237-L1241 WeakPolarHBondContact O-CD1 3.27Å; C1237-L1241 WeakPolarHBondContact O-CG 3.22Å; C1237-L1241 PolarHBondContact O-N 3.43Å; C1237-M1261 HydrophobicContact CB-SD 4.38Å; C1237-T1265 PolarHBondContact SG-OG1 3.48Å; C1237-L1336 HydrophobicContact CB-CD1 3.48Å; C1237-L1336 VanDerWaalsContact CB-CD1 3.48Å; C1237-L1336 HydrophobicContact CB-CD2 4.16Å; C1237-L1336 HydrophobicContact CB-CG 4.5Å |
| 1238 | H | 80.7 | Confident | 77.4 | Confident | 37 Ų | 37 | 59.7 Ų | 59.7 | 17% | 0.171 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -45.6 | -178.8 | -179.6 | -97.6 | 0 | 0 | 0 | 112.5 | L1234 S1235 T1236 R1242 | L1234-H1238 WeakPolarHBondContact O-CB 3.39Å; L1234-H1238 PolarHBondContact O-N 2.89Å; S1235-H1238 PolarHBondContact O-N 2.8Å; T1236-H1238 PolarHBondContact O-N 3.11Å; H1238-R1242 PolarHBondContact CE1-NH1 3.17Å; H1238-R1242 VanDerWaalsContact NE2-CZ 3.28Å; H1238-R1242 PolarHBondContact NE2-NH2 3.25Å; H1238-R1242 PolarHBondContact O-N 2.72Å; H1238-R1242 VanDerWaalsContact O-N 3.14Å |
| 1239 | L | 71.8 | Confident | 77.3 | Confident | 114 Ų | 114 | 53.6 Ų | 53.6 | 60% | 0.597 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -65.1 | -45.2 | 177.8 | -75.7 | 168.1 | 0 | 0 | 0 | 112.2 | S1235 T1236 C1237 K1243 | S1235-L1239 WeakPolarHBondContact O-CB 3.35Å; S1235-L1239 WeakPolarHBondContact O-CG 3.37Å; S1235-L1239 PolarHBondContact O-N 3.39Å; T1236-L1239 PolarHBondContact O-N 3Å; C1237-L1239 PolarHBondContact O-N 3.21Å; L1239-K1243 VanDerWaalsContact O-CB 3.27Å; L1239-K1243 WeakPolarHBondContact O-CB 3.37Å; L1239-K1243 PolarHBondContact O-N 2.9Å |
| 1240 | L | 72.4 | Confident | 77.2 | Confident | 63 Ų | 63 | 55.3 Ų | 55.3 | 33% | 0.33 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.6 | -44.6 | -179.9 | -69.9 | 175.6 | 0 | 0 | 0 | 111.5 | T1236 C1237 K1243 D1244 M1261 | T1236-L1240 HydrophobicContact CG2-CD1 3.92Å; T1236-L1240 WeakPolarHBondContact O-CB 3.21Å; T1236-L1240 WeakPolarHBondContact O-CG 3.44Å; T1236-L1240 PolarHBondContact O-N 2.89Å; C1237-L1240 PolarHBondContact O-N 3.28Å; L1240-K1243 PolarHBondContact O-N 3.45Å; L1240-D1244 WeakPolarHBondContact O-CB 3.15Å; L1240-D1244 PolarHBondContact O-N 2.95Å; L1240-M1261 HydrophobicContact CB-CE 4.28Å; L1240-M1261 HydrophobicContact CB-SD 4.03Å; L1240-M1261 HydrophobicContact CD1-CE 4.38Å; L1240-M1261 HydrophobicContact CD1-SD 4.16Å |
| 1241 | L | 82 | Confident | 77 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.2 | -45 | -179 | -71.4 | 160.3 | 0 | 0 | 0 | 112.1 | C1237 K1243 Y1245 M1254 A1257 A1258 M1261 L1336 L1340 | C1237-L1241 HydrophobicContact CB-CD1 4.22Å; C1237-L1241 VanDerWaalsContact O-CB 3.24Å; C1237-L1241 WeakPolarHBondContact O-CB 3.17Å; C1237-L1241 VanDerWaalsContact O-CD1 3.23Å; C1237-L1241 WeakPolarHBondContact O-CD1 3.27Å; C1237-L1241 WeakPolarHBondContact O-CG 3.22Å; C1237-L1241 PolarHBondContact O-N 3.43Å; L1241-K1243 VanDerWaalsContact C-N 3.32Å; L1241-K1243 PolarHBondContact O-N 3.37Å; L1241-Y1245 HydrophobicContact CD2-CD2 3.99Å; L1241-Y1245 HydrophobicContact CD2-CE2 3.9Å; L1241-Y1245 VanDerWaalsContact O-CB 3.28Å; L1241-Y1245 WeakPolarHBondContact O-CB 3.45Å; L1241-Y1245 WeakPolarHBondContact O-CD2 3.29Å; L1241-Y1245 PolarHBondContact O-N 3.22Å; L1241-M1254 HydrophobicContact CB-CE 3.92Å; L1241-A1257 HydrophobicContact CD2-CB 4.15Å; L1241-A1258 HydrophobicContact CD1-CB 3.55Å; L1241-A1258 HydrophobicContact CD2-CB 4.19Å; L1241-M1261 HydrophobicContact CG-SD 4.22Å; L1241-L1336 HydrophobicContact CD1-CD1 4.45Å; L1241-L1336 HydrophobicContact CD1-CD2 3.97Å; L1241-L1336 HydrophobicContact CD1-CG 4.47Å; L1241-L1340 HydrophobicContact CD1-CD1 3.64Å |
| 1242 | R | 74.6 | Confident | 77.1 | Confident | 89 Ų | 89 | 56.2 Ų | 56.2 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 176.7 | -81.9 | -166.3 | 173.1 | 157.7 | 10.8 | 112.6 | H1238 A1246 D1343 | H1238-R1242 PolarHBondContact CE1-NH1 3.17Å; H1238-R1242 VanDerWaalsContact NE2-CZ 3.28Å; H1238-R1242 PolarHBondContact NE2-NH2 3.25Å; H1238-R1242 PolarHBondContact O-N 2.72Å; H1238-R1242 VanDerWaalsContact O-N 3.14Å; R1242-A1246 WeakPolarHBondContact O-CA 3.43Å; R1242-A1246 WeakPolarHBondContact O-CB 3.33Å; R1242-A1246 PolarHBondContact O-N 3.29Å; R1242-D1343 IonicContact CZ-OD1 3.91Å; R1242-D1343 IonicContact CZ-OD2 2.98Å; R1242-D1343 IonicContact NE-OD1 2.9Å; R1242-D1343 PolarHBondContact NE-OD1 3.25Å; R1242-D1343 IonicContact NE-OD2 2.99Å; R1242-D1343 PolarHBondContact NE-OD2 3.24Å; R1242-D1343 IonicContact NH2-OD1 2.69Å; R1242-D1343 PolarHBondContact NH2-OD1 3.32Å; R1242-D1343 IonicContact NH2-OD2 3.05Å; R1242-D1343 PolarHBondContact NH2-OD2 3.1Å |
| 1243 | K | 73.2 | Confident | 77.3 | Confident | 127 Ų | 127 | 55.5 Ų | 55.5 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -70.6 | -51.4 | 180 | -172.8 | -155.2 | 72.2 | -179.9 | 0 | 111.5 | L1239 L1240 L1241 | L1239-K1243 VanDerWaalsContact O-CB 3.27Å; L1239-K1243 WeakPolarHBondContact O-CB 3.37Å; L1239-K1243 PolarHBondContact O-N 2.9Å; L1240-K1243 PolarHBondContact O-N 3.45Å; L1241-K1243 VanDerWaalsContact C-N 3.32Å; L1241-K1243 PolarHBondContact O-N 3.37Å |
| 1244 | D | 66 | Low | 77.4 | Confident | 89 Ų | 89 | 55.4 Ų | 55.4 | 48% | 0.476 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -76.7 | -26 | -173.8 | -65 | -26.9 | 0 | 0 | 0 | 112.5 | L1240 | L1240-D1244 WeakPolarHBondContact O-CB 3.15Å; L1240-D1244 PolarHBondContact O-N 2.95Å |
| 1245 | Y | 77.3 | Confident | 77.3 | Confident | 51 Ų | 51 | 55.4 Ų | 55.4 | 20% | 0.2 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 22.3 | 179.8 | -62.2 | -91.2 | 0 | 0 | 0 | 113.6 | L1241 V1247 E1248 V1253 M1254 A1257 R1347 | L1241-Y1245 HydrophobicContact CD2-CD2 3.99Å; L1241-Y1245 HydrophobicContact CD2-CE2 3.9Å; L1241-Y1245 VanDerWaalsContact O-CB 3.28Å; L1241-Y1245 WeakPolarHBondContact O-CB 3.45Å; L1241-Y1245 WeakPolarHBondContact O-CD2 3.29Å; L1241-Y1245 PolarHBondContact O-N 3.22Å; Y1245-V1247 PolarHBondContact O-N 3.23Å; Y1245-V1247 VanDerWaalsContact O-N 3.16Å; Y1245-E1248 HydrophobicContact CD1-CB 3.9Å; Y1245-E1248 HydrophobicContact CD1-CG 4.06Å; Y1245-E1248 HydrophobicContact CG-CB 4.49Å; Y1245-E1248 PolarHBondContact O-N 2.79Å; Y1245-V1253 HydrophobicContact CE1-CG1 4.08Å; Y1245-M1254 HydrophobicContact CG-CG 4.39Å; Y1245-A1257 HydrophobicContact CE1-CB 4.25Å; Y1245-A1257 HydrophobicContact CE2-CB 3.88Å; Y1245-A1257 VanDerWaalsContact OH-CB 3.25Å; Y1245-A1257 WeakPolarHBondContact OH-CB 3.24Å; Y1245-R1347 PolarHBondContact O-NH2 3.37Å |
| 1246 | A | 69.6 | Low | 77.4 | Confident | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -30.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1242 D1359 V1362 I1364 | R1242-A1246 WeakPolarHBondContact O-CA 3.43Å; R1242-A1246 WeakPolarHBondContact O-CB 3.33Å; R1242-A1246 PolarHBondContact O-N 3.29Å; A1246-D1359 PolarHBondContact O-N 3.02Å; A1246-V1362 HydrophobicContact CB-CG2 4.1Å; A1246-I1364 HydrophobicContact CB-CD1 4.23Å |
| 1247 | V | 67.2 | Low | 77.3 | Confident | 102 Ų | 102 | 53.4 Ų | 53.4 | 62% | 0.618 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | -3.6 | -177.7 | -118 | 0 | 0 | 0 | 0 | 113.3 | Y1245 S1249 L1358 | Y1245-V1247 PolarHBondContact O-N 3.23Å; Y1245-V1247 VanDerWaalsContact O-N 3.16Å; V1247-S1249 PolarHBondContact O-N 2.86Å; V1247-L1358 HydrophobicContact CG1-CD1 3.88Å |
| 1248 | E | 80.7 | Confident | 77.2 | Confident | 65 Ų | 65 | 53.4 Ų | 53.4 | 30% | 0.304 | 27% | 0.267 | S | S | . | . | trans | -78.5 | 118.9 | -179.5 | 178.7 | 54 | -101.4 | 0 | 0 | 110.2 | Y1245 N1250 V1253 R1347 | Y1245-E1248 HydrophobicContact CD1-CB 3.9Å; Y1245-E1248 HydrophobicContact CD1-CG 4.06Å; Y1245-E1248 HydrophobicContact CG-CB 4.49Å; Y1245-E1248 PolarHBondContact O-N 2.79Å; E1248-N1250 VanDerWaalsContact C-N 3.32Å; E1248-N1250 HydrophobicContact CG-CB 4.31Å; E1248-N1250 VanDerWaalsContact OE1-CB 3.28Å; E1248-N1250 WeakPolarHBondContact OE1-CB 3.38Å; E1248-N1250 PolarHBondContact OE1-N 3.09Å; E1248-V1253 HydrophobicContact CG-CB 4.35Å; E1248-V1253 HydrophobicContact CG-CG1 4.4Å; E1248-R1347 VanDerWaalsContact O-CD 3.29Å; E1248-R1347 WeakPolarHBondContact O-CD 3.49Å; E1248-R1347 PolarHBondContact O-NE 3.42Å | ||
| 1249 | S | 75.8 | Confident | 77.4 | Confident | 40 Ų | 40 | 56.9 Ų | 56.9 | 28% | 0.28 | 28% | 0.278 | S | S | . | . | trans | -79 | -15.6 | 179.3 | 69.2 | 0 | 0 | 0 | 0 | 113.4 | V1247 E1251 R1351 | V1247-S1249 PolarHBondContact O-N 2.86Å; S1249-E1251 PolarHBondContact O-N 3.14Å; S1249-R1351 PolarHBondContact O-NE 3.21Å | ||
| 1250 | N | 80.2 | Confident | 77.7 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 19% | 0.193 | 26% | 0.256 | C | S | . | . | trans | -89.1 | 103.7 | -176.4 | -156.7 | -18.2 | 0 | 0 | 0 | 114.3 | E1248 Q1252 V1253 M1254 R1351 | E1248-N1250 VanDerWaalsContact C-N 3.32Å; E1248-N1250 HydrophobicContact CG-CB 4.31Å; E1248-N1250 VanDerWaalsContact OE1-CB 3.28Å; E1248-N1250 WeakPolarHBondContact OE1-CB 3.38Å; E1248-N1250 PolarHBondContact OE1-N 3.09Å; N1250-Q1252 PolarHBondContact O-N 3.39Å; N1250-Q1252 WeakPolarHBondContact OD1-CB 3.33Å; N1250-Q1252 PolarHBondContact OD1-N 3.44Å; N1250-V1253 HydrophobicContact CB-CB 3.95Å; N1250-V1253 HydrophobicContact CB-CG2 3.65Å; N1250-V1253 PolarHBondContact O-N 3.18Å; N1250-V1253 VanDerWaalsContact O-N 3.12Å; N1250-M1254 PolarHBondContact O-N 2.89Å; N1250-M1254 VanDerWaalsContact O-N 3.17Å; N1250-R1351 VanDerWaalsContact CG-NH1 3.32Å; N1250-R1351 PolarHBondContact ND2-NH2 3.47Å; N1250-R1351 PolarHBondContact OD1-NH1 2.82Å; N1250-R1351 PolarHBondContact OD1-NH2 3.41Å | ||
| 1251 | E | 84.8 | Confident | 78 | Confident | 28 Ų | 28 | 52.4 Ų | 52.4 | 13% | 0.131 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.5 | -33 | 175.3 | 77 | -75.4 | 177.7 | 0 | 0 | 112.3 | S1249 M1255 Y1344 R1347 R1348 R1351 | S1249-E1251 PolarHBondContact O-N 3.14Å; E1251-M1255 VanDerWaalsContact O-CB 3.22Å; E1251-M1255 WeakPolarHBondContact O-CB 3.35Å; E1251-M1255 PolarHBondContact O-N 3.3Å; E1251-Y1344 WeakPolarHBondContact CB-O 3.46Å; E1251-R1347 HydrophobicContact CB-CB 4.07Å; E1251-R1348 HydrophobicContact CG-CB 4.35Å; E1251-R1351 IonicContact OE1-NH1 3.06Å; E1251-R1351 IonicContact OE2-CZ 2.78Å; E1251-R1351 IonicContact OE2-NE 2.74Å; E1251-R1351 IonicContact OE2-NH1 3.56Å; E1251-R1351 PolarHBondContact OE2-NH1 2.82Å |
| 1252 | Q | 83.8 | Confident | 77.9 | Confident | 106 Ų | 106 | 52.4 Ų | 52.4 | 50% | 0.495 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.2 | -34.8 | 178.6 | -61.9 | -65.7 | -35 | 0 | 0 | 112.3 | N1250 K1256 | N1250-Q1252 PolarHBondContact O-N 3.39Å; N1250-Q1252 WeakPolarHBondContact OD1-CB 3.33Å; N1250-Q1252 PolarHBondContact OD1-N 3.44Å; Q1252-K1256 WeakPolarHBondContact O-CB 3.21Å; Q1252-K1256 PolarHBondContact O-N 3.21Å |
| 1253 | V | 79.9 | Confident | 78 | Confident | 53 Ų | 53 | 51.8 Ų | 51.8 | 32% | 0.321 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.5 | -46.4 | 178.2 | 175.4 | 0 | 0 | 0 | 0 | 109.7 | Y1245 E1248 N1250 M1255 K1256 A1257 | Y1245-V1253 HydrophobicContact CE1-CG1 4.08Å; E1248-V1253 HydrophobicContact CG-CB 4.35Å; E1248-V1253 HydrophobicContact CG-CG1 4.4Å; N1250-V1253 HydrophobicContact CB-CB 3.95Å; N1250-V1253 HydrophobicContact CB-CG2 3.65Å; N1250-V1253 PolarHBondContact O-N 3.18Å; N1250-V1253 VanDerWaalsContact O-N 3.12Å; V1253-M1255 VanDerWaalsContact C-N 3.33Å; V1253-M1255 PolarHBondContact O-N 2.89Å; V1253-K1256 PolarHBondContact O-N 3.01Å; V1253-A1257 WeakPolarHBondContact O-CB 3.41Å; V1253-A1257 PolarHBondContact O-N 3.26Å |
| 1254 | M | 83.3 | Confident | 78.1 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.8 | -42.2 | 175.9 | -170.2 | -176.6 | -176.1 | 0 | 0 | 111.2 | L1241 Y1245 N1250 A1257 A1258 L1340 D1343 Y1344 | L1241-M1254 HydrophobicContact CB-CE 3.92Å; Y1245-M1254 HydrophobicContact CG-CG 4.39Å; N1250-M1254 PolarHBondContact O-N 2.89Å; N1250-M1254 VanDerWaalsContact O-N 3.17Å; M1254-A1257 PolarHBondContact O-N 3.22Å; M1254-A1258 WeakPolarHBondContact O-CB 3.3Å; M1254-A1258 PolarHBondContact O-N 3.36Å; M1254-L1340 HydrophobicContact CE-CD1 4.39Å; M1254-L1340 HydrophobicContact CE-CD2 3.94Å; M1254-D1343 HydrophobicContact CE-CB 4.35Å; M1254-D1343 HydrophobicContact SD-CB 4.41Å; M1254-Y1344 HydrophobicContact CB-CE1 4.32Å; M1254-Y1344 HydrophobicContact CG-CE1 4.12Å; M1254-Y1344 HydrophobicContact SD-CD1 4.37Å; M1254-Y1344 HydrophobicContact SD-CE1 4.24Å |
| 1255 | M | 83.6 | Confident | 78.6 | Confident | 35 Ų | 35 | 44.9 Ų | 44.9 | 17% | 0.172 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.1 | -40.8 | 178.5 | -174.6 | 175.3 | 50 | 0 | 0 | 112.5 | E1251 V1253 A1258 R1259 Y1344 | E1251-M1255 VanDerWaalsContact O-CB 3.22Å; E1251-M1255 WeakPolarHBondContact O-CB 3.35Å; E1251-M1255 PolarHBondContact O-N 3.3Å; V1253-M1255 VanDerWaalsContact C-N 3.33Å; V1253-M1255 PolarHBondContact O-N 2.89Å; M1255-A1258 PolarHBondContact O-N 3.15Å; M1255-R1259 WeakPolarHBondContact O-CG 3.3Å; M1255-R1259 PolarHBondContact O-N 3.43Å; M1255-Y1344 HydrophobicContact CB-CD1 4.41Å; M1255-Y1344 HydrophobicContact CB-CE1 3.85Å; M1255-Y1344 HydrophobicContact CB-CE2 4.26Å; M1255-Y1344 HydrophobicContact CG-CE1 4.49Å; M1255-Y1344 HydrophobicContact CG-CE2 4.04Å; M1255-Y1344 HydrophobicContact SD-CE2 4.34Å |
| 1256 | K | 79.2 | Confident | 78.7 | Confident | 76 Ų | 76 | 42.5 Ų | 42.5 | 33% | 0.33 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.9 | -40.5 | 175.8 | -159 | 173.3 | -170.7 | 176.7 | 0 | 111.2 | Q1252 V1253 N1260 E1403 | Q1252-K1256 WeakPolarHBondContact O-CB 3.21Å; Q1252-K1256 PolarHBondContact O-N 3.21Å; V1253-K1256 PolarHBondContact O-N 3.01Å; K1256-N1260 WeakPolarHBondContact O-CB 3.37Å; K1256-N1260 PolarHBondContact O-N 2.94Å; K1256-E1403 PolarHBondContact NZ-O 3.02Å; K1256-E1403 VanDerWaalsContact NZ-O 3.07Å; K1256-E1403 IonicContact NZ-OE2 2.99Å; K1256-E1403 PolarHBondContact NZ-OE2 3.29Å |
| 1257 | A | 75.1 | Confident | 79.4 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 7% | 0.066 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.4 | -42.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1241 Y1245 V1253 M1254 N1260 M1261 | L1241-A1257 HydrophobicContact CD2-CB 4.15Å; Y1245-A1257 HydrophobicContact CE1-CB 4.25Å; Y1245-A1257 HydrophobicContact CE2-CB 3.88Å; Y1245-A1257 VanDerWaalsContact OH-CB 3.25Å; Y1245-A1257 WeakPolarHBondContact OH-CB 3.24Å; V1253-A1257 WeakPolarHBondContact O-CB 3.41Å; V1253-A1257 PolarHBondContact O-N 3.26Å; M1254-A1257 PolarHBondContact O-N 3.22Å; A1257-N1260 PolarHBondContact O-N 3.28Å; A1257-M1261 VanDerWaalsContact O-CB 3.32Å; A1257-M1261 WeakPolarHBondContact O-CB 3.28Å; A1257-M1261 PolarHBondContact O-N 3.21Å |
| 1258 | A | 81.2 | Confident | 79.7 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.5 | -50.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | L1241 M1254 M1255 N1260 M1261 G1262 L1336 L1340 Y1344 | L1241-A1258 HydrophobicContact CD1-CB 3.55Å; L1241-A1258 HydrophobicContact CD2-CB 4.19Å; M1254-A1258 WeakPolarHBondContact O-CB 3.3Å; M1254-A1258 PolarHBondContact O-N 3.36Å; M1255-A1258 PolarHBondContact O-N 3.15Å; A1258-N1260 PolarHBondContact O-N 2.93Å; A1258-M1261 PolarHBondContact O-N 3.3Å; A1258-G1262 PolarHBondContact O-N 3.44Å; A1258-L1336 VanDerWaalsContact C-CD2 3.48Å; A1258-L1336 HydrophobicContact CB-CD2 3.62Å; A1258-L1336 HydrophobicContact CB-CG 4.37Å; A1258-L1336 WeakPolarHBondContact O-CD2 3.47Å; A1258-L1340 HydrophobicContact CB-CD1 3.84Å; A1258-Y1344 WeakPolarHBondContact CB-OH 3.29Å |
| 1259 | R | 84.7 | Confident | 79.7 | Confident | 109 Ų | 109 | 39.7 Ų | 39.7 | 41% | 0.411 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.1 | -39.5 | 177.8 | -71.6 | 175.6 | 174.8 | -179 | -2.9 | 112.9 | M1255 R1263 N1333 D1337 | M1255-R1259 WeakPolarHBondContact O-CG 3.3Å; M1255-R1259 PolarHBondContact O-N 3.43Å; R1259-R1263 WeakPolarHBondContact O-CB 3.25Å; R1259-R1263 VanDerWaalsContact O-CG 3.24Å; R1259-R1263 WeakPolarHBondContact O-CG 3.25Å; R1259-R1263 PolarHBondContact O-N 3.35Å; R1259-N1333 WeakPolarHBondContact CA-OD1 3.45Å; R1259-N1333 PolarHBondContact O-OD1 2.93Å; R1259-D1337 IonicContact CZ-OD2 3.62Å; R1259-D1337 IonicContact NE-OD1 3.65Å; R1259-D1337 IonicContact NE-OD2 2.75Å; R1259-D1337 PolarHBondContact NE-OD2 3.34Å; R1259-D1337 IonicContact NH2-OD2 3.16Å; R1259-D1337 PolarHBondContact NH2-OD2 3.47Å |
| 1260 | N | 77.2 | Confident | 80.1 | Confident | 27 Ų | 27 | 37.8 Ų | 37.8 | 14% | 0.144 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.1 | -44.3 | 176.9 | -74.6 | -7.9 | 0 | 0 | 0 | 111.8 | K1256 A1257 A1258 R1263 V1264 | K1256-N1260 WeakPolarHBondContact O-CB 3.37Å; K1256-N1260 PolarHBondContact O-N 2.94Å; A1257-N1260 PolarHBondContact O-N 3.28Å; A1258-N1260 PolarHBondContact O-N 2.93Å; N1260-R1263 PolarHBondContact O-N 2.84Å; N1260-V1264 WeakPolarHBondContact O-CG2 3.35Å; N1260-V1264 PolarHBondContact O-N 2.71Å; N1260-V1264 VanDerWaalsContact O-N 3.16Å |
| 1261 | M | 79.5 | Confident | 80.3 | Confident | 56 Ų | 56 | 39 Ų | 39 | 28% | 0.276 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.6 | -42.6 | 177.4 | -169.8 | 176.8 | -81.4 | 0 | 0 | 111.1 | C1237 L1240 L1241 A1257 A1258 V1264 T1265 | C1237-M1261 HydrophobicContact CB-SD 4.38Å; L1240-M1261 HydrophobicContact CB-CE 4.28Å; L1240-M1261 HydrophobicContact CB-SD 4.03Å; L1240-M1261 HydrophobicContact CD1-CE 4.38Å; L1240-M1261 HydrophobicContact CD1-SD 4.16Å; L1241-M1261 HydrophobicContact CG-SD 4.22Å; A1257-M1261 VanDerWaalsContact O-CB 3.32Å; A1257-M1261 WeakPolarHBondContact O-CB 3.28Å; A1257-M1261 PolarHBondContact O-N 3.21Å; A1258-M1261 PolarHBondContact O-N 3.3Å; M1261-V1264 PolarHBondContact O-N 2.93Å; M1261-T1265 WeakPolarHBondContact O-CB 3.22Å; M1261-T1265 PolarHBondContact O-N 3.29Å; M1261-T1265 PolarHBondContact O-OG1 3.01Å |
| 1262 | G | 78.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.9 | -41.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1258 T1265 G1266 L1332 N1333 | A1258-G1262 PolarHBondContact O-N 3.44Å; G1262-T1265 PolarHBondContact O-OG1 2.84Å; G1262-G1266 WeakPolarHBondContact O-CA 3.37Å; G1262-G1266 PolarHBondContact O-N 3.42Å; G1262-L1332 WeakPolarHBondContact O-CD2 3.25Å; G1262-N1333 WeakPolarHBondContact CA-OD1 3.44Å |
| 1263 | R | 78.2 | Confident | 79.8 | Confident | 77 Ų | 77 | 38.5 Ų | 38.5 | 29% | 0.291 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.3 | -53.2 | 173.5 | -77 | 174.9 | -177.4 | -165.7 | -5.3 | 112.3 | R1259 N1260 A1267 N1333 F1396 | R1259-R1263 WeakPolarHBondContact O-CB 3.25Å; R1259-R1263 VanDerWaalsContact O-CG 3.24Å; R1259-R1263 WeakPolarHBondContact O-CG 3.25Å; R1259-R1263 PolarHBondContact O-N 3.35Å; N1260-R1263 PolarHBondContact O-N 2.84Å; R1263-A1267 WeakPolarHBondContact O-CB 3.22Å; R1263-A1267 PolarHBondContact O-N 2.81Å; R1263-N1333 VanDerWaalsContact CG-ND2 3.31Å; R1263-N1333 WeakPolarHBondContact CG-ND2 3.48Å; R1263-F1396 HydrophobicContact CG-CE1 4.5Å |
| 1264 | V | 73.7 | Confident | 80.2 | Confident | 41 Ų | 41 | 36 Ų | 36 | 25% | 0.248 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.7 | -49.3 | -175.5 | 178 | 0 | 0 | 0 | 0 | 111.1 | N1260 M1261 T1268 A1390 V1393 | N1260-V1264 WeakPolarHBondContact O-CG2 3.35Å; N1260-V1264 PolarHBondContact O-N 2.71Å; N1260-V1264 VanDerWaalsContact O-N 3.16Å; M1261-V1264 PolarHBondContact O-N 2.93Å; V1264-T1268 HydrophobicContact CG1-CG2 4.43Å; V1264-T1268 WeakPolarHBondContact O-CB 3.2Å; V1264-T1268 VanDerWaalsContact O-CG2 3.28Å; V1264-T1268 WeakPolarHBondContact O-CG2 3.39Å; V1264-T1268 PolarHBondContact O-N 3.46Å; V1264-T1268 PolarHBondContact O-OG1 3.39Å; V1264-A1390 HydrophobicContact CG2-CB 3.93Å; V1264-V1393 HydrophobicContact CB-CG2 4.44Å; V1264-V1393 HydrophobicContact CG1-CG2 4.46Å; V1264-V1393 HydrophobicContact CG2-CG2 3.94Å |
| 1265 | T | 76.4 | Confident | 80.5 | Confident | 30 Ų | 30 | 41.1 Ų | 41.1 | 18% | 0.184 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.4 | -43.7 | -179.7 | 47.4 | 0 | 0 | 0 | 0 | 112.1 | C1237 M1261 G1262 A1267 T1268 M1269 | C1237-T1265 PolarHBondContact SG-OG1 3.48Å; M1261-T1265 WeakPolarHBondContact O-CB 3.22Å; M1261-T1265 PolarHBondContact O-N 3.29Å; M1261-T1265 PolarHBondContact O-OG1 3.01Å; G1262-T1265 PolarHBondContact O-OG1 2.84Å; T1265-A1267 PolarHBondContact O-N 3.12Å; T1265-T1268 WeakPolarHBondContact CA-OG1 3.49Å; T1265-T1268 PolarHBondContact O-N 2.8Å; T1265-T1268 PolarHBondContact O-OG1 2.96Å; T1265-T1268 VanDerWaalsContact O-OG1 3.11Å; T1265-M1269 WeakPolarHBondContact O-CB 3.25Å; T1265-M1269 WeakPolarHBondContact O-CG 3.49Å; T1265-M1269 PolarHBondContact O-N 2.98Å |
| 1266 | G | 81 | Confident | 80.5 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1262 A1270 | G1262-G1266 WeakPolarHBondContact O-CA 3.37Å; G1262-G1266 PolarHBondContact O-N 3.42Å; G1266-A1270 VanDerWaalsContact O-CB 3.24Å; G1266-A1270 WeakPolarHBondContact O-CB 3.45Å; G1266-A1270 PolarHBondContact O-N 3.41Å |
| 1267 | A | 82.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.5 | -45.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1263 T1265 A1270 H1271 M1325 A1329 V1393 | R1263-A1267 WeakPolarHBondContact O-CB 3.22Å; R1263-A1267 PolarHBondContact O-N 2.81Å; T1265-A1267 PolarHBondContact O-N 3.12Å; A1267-A1270 PolarHBondContact O-N 3.39Å; A1267-H1271 PolarHBondContact O-N 3.26Å; A1267-M1325 HydrophobicContact CB-CB 4.1Å; A1267-M1325 HydrophobicContact CB-CE 3.91Å; A1267-M1325 WeakPolarHBondContact O-CG 3.27Å; A1267-A1329 HydrophobicContact CB-CB 4.44Å; A1267-V1393 HydrophobicContact CB-CG1 3.44Å; A1267-V1393 VanDerWaalsContact CB-CG1 3.44Å |
| 1268 | T | 73.2 | Confident | 81.7 | Confident | 73 Ų | 73 | 42.3 Ų | 42.3 | 45% | 0.448 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.2 | -39.4 | 179.7 | 49.9 | 0 | 0 | 0 | 0 | 112.5 | V1264 T1265 H1271 S1272 | V1264-T1268 HydrophobicContact CG1-CG2 4.43Å; V1264-T1268 WeakPolarHBondContact O-CB 3.2Å; V1264-T1268 VanDerWaalsContact O-CG2 3.28Å; V1264-T1268 WeakPolarHBondContact O-CG2 3.39Å; V1264-T1268 PolarHBondContact O-N 3.46Å; V1264-T1268 PolarHBondContact O-OG1 3.39Å; T1265-T1268 WeakPolarHBondContact CA-OG1 3.49Å; T1265-T1268 PolarHBondContact O-N 2.8Å; T1265-T1268 PolarHBondContact O-OG1 2.96Å; T1265-T1268 VanDerWaalsContact O-OG1 3.11Å; T1268-H1271 PolarHBondContact O-N 3.31Å; T1268-S1272 PolarHBondContact O-N 3.13Å; T1268-S1272 VanDerWaalsContact O-N 3.08Å; T1268-S1272 PolarHBondContact O-OG 2.97Å; T1268-S1272 VanDerWaalsContact O-OG 3.12Å |
| 1269 | M | 80.9 | Confident | 82.3 | Confident | 38 Ų | 38 | 46.7 Ų | 46.7 | 19% | 0.187 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.9 | -37.8 | 174.1 | -70.6 | -64.4 | -63.1 | 0 | 0 | 111.9 | V1229 I1232 S1233 T1265 S1272 H1273 | V1229-M1269 HydrophobicContact CG1-CB 3.94Å; I1232-M1269 HydrophobicContact CB-CE 3.95Å; I1232-M1269 HydrophobicContact CD1-CE 3.93Å; I1232-M1269 HydrophobicContact CG2-CE 3.66Å; S1233-M1269 WeakPolarHBondContact OG-CG 3.41Å; T1265-M1269 WeakPolarHBondContact O-CB 3.25Å; T1265-M1269 WeakPolarHBondContact O-CG 3.49Å; T1265-M1269 PolarHBondContact O-N 2.98Å; M1269-S1272 PolarHBondContact O-OG 3.41Å; M1269-H1273 WeakPolarHBondContact CE-NE2 3.47Å; M1269-H1273 WeakPolarHBondContact O-CB 3.45Å; M1269-H1273 PolarHBondContact O-N 2.98Å; M1269-H1273 VanDerWaalsContact O-N 3.07Å |
| 1270 | A | 84.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.2 | -45.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1229 G1266 A1267 S1272 H1273 C1274 M1325 F1328 | V1229-A1270 HydrophobicContact CG1-CB 4.48Å; G1266-A1270 VanDerWaalsContact O-CB 3.24Å; G1266-A1270 WeakPolarHBondContact O-CB 3.45Å; G1266-A1270 PolarHBondContact O-N 3.41Å; A1267-A1270 PolarHBondContact O-N 3.39Å; A1270-S1272 PolarHBondContact O-N 3.46Å; A1270-H1273 PolarHBondContact O-N 3.5Å; A1270-C1274 WeakPolarHBondContact O-CB 3.39Å; A1270-C1274 PolarHBondContact O-N 3.15Å; A1270-C1274 PolarHBondContact O-SG 2.95Å; A1270-C1274 VanDerWaalsContact O-SG 3.37Å; A1270-M1325 HydrophobicContact CB-CG 4.21Å; A1270-F1328 HydrophobicContact CB-CB 3.92Å; A1270-F1328 HydrophobicContact CB-CD2 3.62Å; A1270-F1328 HydrophobicContact CB-CG 4.13Å |
| 1271 | H | 84.8 | Confident | 83.1 | Confident | 63 Ų | 63 | 48 Ų | 48 | 29% | 0.292 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55.7 | -52.5 | 177.9 | -169.2 | 116.9 | 0 | 0 | 0 | 110.9 | A1267 T1268 H1273 R1275 M1325 | A1267-H1271 PolarHBondContact O-N 3.26Å; T1268-H1271 PolarHBondContact O-N 3.31Å; H1271-H1273 PolarHBondContact O-N 2.93Å; H1271-R1275 WeakPolarHBondContact O-CB 3.48Å; H1271-R1275 PolarHBondContact O-N 2.76Å; H1271-M1325 HydrophobicContact CB-CE 4.21Å; H1271-M1325 HydrophobicContact CB-CG 4.22Å; H1271-M1325 HydrophobicContact CB-SD 3.86Å |
| 1272 | S | 76.1 | Confident | 83.8 | Confident | 72 Ų | 72 | 45.4 Ų | 45.4 | 50% | 0.503 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -70.5 | -29.1 | -175.7 | 59.8 | 0 | 0 | 0 | 0 | 114.4 | T1268 M1269 A1270 | T1268-S1272 PolarHBondContact O-N 3.13Å; T1268-S1272 VanDerWaalsContact O-N 3.08Å; T1268-S1272 PolarHBondContact O-OG 2.97Å; T1268-S1272 VanDerWaalsContact O-OG 3.12Å; M1269-S1272 PolarHBondContact O-OG 3.41Å; A1270-S1272 PolarHBondContact O-N 3.46Å |
| 1273 | H | 82.7 | Confident | 84.6 | Confident | 50 Ų | 50 | 47.3 Ų | 47.3 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -98.5 | -18.7 | -177.1 | -71.4 | -5.1 | 0 | 0 | 0 | 114.4 | K1225 V1229 M1269 A1270 H1271 P1277 | K1225-H1273 WeakPolarHBondContact CE-O 3.18Å; V1229-H1273 HydrophobicContact CG2-CB 3.92Å; M1269-H1273 WeakPolarHBondContact CE-NE2 3.47Å; M1269-H1273 WeakPolarHBondContact O-CB 3.45Å; M1269-H1273 PolarHBondContact O-N 2.98Å; M1269-H1273 VanDerWaalsContact O-N 3.07Å; A1270-H1273 PolarHBondContact O-N 3.5Å; H1271-H1273 PolarHBondContact O-N 2.93Å; H1273-P1277 WeakPolarHBondContact O-CG 3.47Å |
| 1274 | C | 89.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -106 | -22.8 | -174.8 | -59.4 | 0 | 0 | 0 | 0 | 114 | V1221 A1270 P1277 L1278 L1321 L1324 | V1221-C1274 HydrophobicContact CG1-CB 3.76Å; A1270-C1274 WeakPolarHBondContact O-CB 3.39Å; A1270-C1274 PolarHBondContact O-N 3.15Å; A1270-C1274 PolarHBondContact O-SG 2.95Å; A1270-C1274 VanDerWaalsContact O-SG 3.37Å; C1274-P1277 WeakPolarHBondContact O-CD 3.3Å; C1274-L1278 WeakPolarHBondContact O-CB 3.45Å; C1274-L1278 PolarHBondContact O-N 3.15Å; C1274-L1321 HydrophobicContact CB-CD1 4.22Å; C1274-L1324 HydrophobicContact CB-CD1 3.66Å |
| 1275 | R | 88.2 | Confident | 86.2 | Confident | 108 Ų | 108 | 47.7 Ų | 47.7 | 41% | 0.408 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.5 | -58.3 | -173.4 | -172.4 | 175.6 | -164.2 | -164.5 | 5.2 | 113.9 | H1271 L1278 R1279 E1318 L1321 | H1271-R1275 WeakPolarHBondContact O-CB 3.48Å; H1271-R1275 PolarHBondContact O-N 2.76Å; R1275-L1278 PolarHBondContact O-N 3.37Å; R1275-R1279 PolarHBondContact O-N 2.94Å; R1275-E1318 IonicContact CZ-OE1 2.77Å; R1275-E1318 IonicContact NE-OE1 2.89Å; R1275-E1318 IonicContact NH2-OE1 3.28Å; R1275-E1318 PolarHBondContact NH2-OE1 2.94Å; R1275-L1321 HydrophobicContact CB-CD1 4.21Å; R1275-L1321 HydrophobicContact CB-CD2 4Å; R1275-L1321 HydrophobicContact CG-CD2 3.94Å |
| 1276 | D | 85 | Confident | 87 | Confident | 104 Ų | 104 | 46.3 Ų | 46.3 | 56% | 0.556 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -67.5 | -46.2 | -178.3 | -51.6 | -36.5 | 0 | 0 | 0 | 112.2 | L1278 R1279 F1280 | D1276-L1278 PolarHBondContact O-N 3.44Å; D1276-R1279 WeakPolarHBondContact O-CB 3.49Å; D1276-R1279 PolarHBondContact O-N 3.11Å; D1276-R1279 VanDerWaalsContact O-N 3.12Å; D1276-F1280 HydrophobicContact CB-CE2 4.32Å; D1276-F1280 WeakPolarHBondContact O-CD2 3.44Å; D1276-F1280 PolarHBondContact O-N 2.9Å |
| 1277 | P | 84.8 | Confident | 87.5 | Confident | 41 Ų | 41 | 48.7 Ų | 48.7 | 27% | 0.266 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.8 | -37.2 | 174.4 | -27 | 37 | 0 | 0 | 0 | 113.3 | V1221 H1273 C1274 A1281 | V1221-P1277 HydrophobicContact CG2-CB 4.37Å; H1273-P1277 WeakPolarHBondContact O-CG 3.47Å; C1274-P1277 WeakPolarHBondContact O-CD 3.3Å; P1277-A1281 VanDerWaalsContact O-CB 3.23Å; P1277-A1281 WeakPolarHBondContact O-CB 3.35Å; P1277-A1281 PolarHBondContact O-N 3.46Å |
| 1278 | L | 93.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 175.5 | 178.4 | 65.7 | 0 | 0 | 0 | 111.8 | M1218 V1221 C1274 R1275 D1276 F1280 A1281 L1282 I1317 C1320 L1321 L1324 | M1218-L1278 HydrophobicContact SD-CD1 3.57Å; M1218-L1278 VanDerWaalsContact SD-CD1 3.57Å; V1221-L1278 HydrophobicContact CG2-CB 4.2Å; V1221-L1278 HydrophobicContact CG2-CD1 4.31Å; C1274-L1278 WeakPolarHBondContact O-CB 3.45Å; C1274-L1278 PolarHBondContact O-N 3.15Å; R1275-L1278 PolarHBondContact O-N 3.37Å; D1276-L1278 PolarHBondContact O-N 3.44Å; L1278-F1280 VanDerWaalsContact C-N 3.33Å; L1278-F1280 PolarHBondContact O-N 3.49Å; L1278-A1281 PolarHBondContact O-N 2.87Å; L1278-L1282 HydrophobicContact CD1-CD1 3.96Å; L1278-L1282 HydrophobicContact CD1-CG 3.98Å; L1278-L1282 HydrophobicContact CG-CD1 3.86Å; L1278-L1282 HydrophobicContact CG-CG 4.31Å; L1278-L1282 VanDerWaalsContact O-CB 3.31Å; L1278-L1282 WeakPolarHBondContact O-CB 3.48Å; L1278-L1282 VanDerWaalsContact O-CG 3.3Å; L1278-L1282 WeakPolarHBondContact O-CG 3.31Å; L1278-L1282 PolarHBondContact O-N 3.29Å; L1278-I1317 HydrophobicContact CD2-CG1 4.24Å; L1278-C1320 HydrophobicContact CD1-CB 4.35Å; L1278-C1320 HydrophobicContact CD2-CB 3.74Å; L1278-C1320 HydrophobicContact CG-CB 4.48Å; L1278-L1321 HydrophobicContact CD2-CB 4.16Å; L1278-L1321 HydrophobicContact CD2-CD1 4.4Å; L1278-L1324 HydrophobicContact CD1-CD1 4.36Å; L1278-L1324 HydrophobicContact CD2-CD1 3.96Å |
| 1279 | R | 92.8 | Very high | 88.7 | Confident | 91 Ų | 91 | 55.6 Ų | 55.6 | 34% | 0.343 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.8 | -48.8 | 175.2 | -167 | 177.5 | 179.4 | 82.5 | 4.5 | 111.2 | R1275 D1276 L1283 T1313 D1314 I1317 | R1275-R1279 PolarHBondContact O-N 2.94Å; D1276-R1279 WeakPolarHBondContact O-CB 3.49Å; D1276-R1279 PolarHBondContact O-N 3.11Å; D1276-R1279 VanDerWaalsContact O-N 3.12Å; R1279-L1283 WeakPolarHBondContact O-CB 3.48Å; R1279-L1283 PolarHBondContact O-N 2.92Å; R1279-T1313 HydrophobicContact CG-CG2 4.03Å; R1279-D1314 IonicContact CZ-OD1 3.78Å; R1279-D1314 IonicContact NH1-OD1 3.05Å; R1279-D1314 PolarHBondContact NH1-OD1 3.13Å; R1279-D1314 IonicContact NH2-OD1 3.9Å; R1279-D1314 PolarHBondContact NH2-OD1 2.74Å; R1279-D1314 IonicContact NH2-OD2 2.73Å; R1279-I1317 HydrophobicContact CB-CD1 3.5Å; R1279-I1317 HydrophobicContact CG-CD1 3.85Å |
| 1280 | F | 89 | Confident | 89.1 | Confident | 146 Ų | 146 | 53.9 Ų | 53.9 | 64% | 0.64 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -66.6 | -42.7 | -179.9 | -71.4 | -65.1 | 0 | 0 | 0 | 112.2 | D1276 L1278 H1284 | D1276-F1280 HydrophobicContact CB-CE2 4.32Å; D1276-F1280 WeakPolarHBondContact O-CD2 3.44Å; D1276-F1280 PolarHBondContact O-N 2.9Å; L1278-F1280 VanDerWaalsContact C-N 3.33Å; L1278-F1280 PolarHBondContact O-N 3.49Å; F1280-H1284 WeakPolarHBondContact O-CB 3.17Å; F1280-H1284 PolarHBondContact O-N 3.45Å |
| 1281 | A | 91.2 | Very high | 89.4 | Confident | 17 Ų | 17 | 57 Ų | 57 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65 | -43 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1217 V1221 P1277 L1278 N1285 | A1217-A1281 HydrophobicContact CB-CB 3.85Å; V1221-A1281 HydrophobicContact CG2-CB 4.02Å; P1277-A1281 VanDerWaalsContact O-CB 3.23Å; P1277-A1281 WeakPolarHBondContact O-CB 3.35Å; P1277-A1281 PolarHBondContact O-N 3.46Å; L1278-A1281 PolarHBondContact O-N 2.87Å; A1281-N1285 VanDerWaalsContact O-CB 3.23Å; A1281-N1285 WeakPolarHBondContact O-CB 3.22Å; A1281-N1285 VanDerWaalsContact O-CG 3.27Å; A1281-N1285 PolarHBondContact O-N 3.49Å; A1281-N1285 PolarHBondContact O-ND2 3.13Å |
| 1282 | L | 94.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.8 | -53.1 | 175.3 | -77.4 | 171.2 | 0 | 0 | 0 | 111 | V1214 A1217 L1278 H1284 N1285 L1286 T1313 I1317 | V1214-L1282 HydrophobicContact CB-CD2 4.19Å; V1214-L1282 HydrophobicContact CG1-CD2 4.05Å; V1214-L1282 HydrophobicContact CG2-CD2 3.82Å; A1217-L1282 HydrophobicContact CB-CD2 3.86Å; A1217-L1282 HydrophobicContact CB-CG 4.12Å; L1278-L1282 HydrophobicContact CD1-CD1 3.96Å; L1278-L1282 HydrophobicContact CD1-CG 3.98Å; L1278-L1282 HydrophobicContact CG-CD1 3.86Å; L1278-L1282 HydrophobicContact CG-CG 4.31Å; L1278-L1282 VanDerWaalsContact O-CB 3.31Å; L1278-L1282 WeakPolarHBondContact O-CB 3.48Å; L1278-L1282 VanDerWaalsContact O-CG 3.3Å; L1278-L1282 WeakPolarHBondContact O-CG 3.31Å; L1278-L1282 PolarHBondContact O-N 3.29Å; L1282-H1284 VanDerWaalsContact C-N 3.33Å; L1282-H1284 PolarHBondContact O-N 3.2Å; L1282-N1285 PolarHBondContact O-N 2.96Å; L1282-L1286 WeakPolarHBondContact O-CB 3.43Å; L1282-L1286 WeakPolarHBondContact O-CD1 3.21Å; L1282-L1286 VanDerWaalsContact O-CG 3.22Å; L1282-L1286 WeakPolarHBondContact O-CG 3.29Å; L1282-L1286 PolarHBondContact O-N 3.18Å; L1282-T1313 HydrophobicContact CB-CG2 3.92Å; L1282-T1313 HydrophobicContact CD1-CG2 4.39Å; L1282-I1317 HydrophobicContact CD1-CB 4.42Å |
| 1283 | L | 94.5 | Very high | 89.9 | Confident | 41 Ų | 41 | 55.9 Ų | 55.9 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61 | -44.1 | -177.9 | -174.1 | 65.1 | 0 | 0 | 0 | 111.4 | R1279 K1287 A1309 L1310 T1313 | R1279-L1283 WeakPolarHBondContact O-CB 3.48Å; R1279-L1283 PolarHBondContact O-N 2.92Å; L1283-K1287 WeakPolarHBondContact O-CB 3.46Å; L1283-K1287 VanDerWaalsContact O-CG 3.29Å; L1283-K1287 WeakPolarHBondContact O-CG 3.41Å; L1283-K1287 PolarHBondContact O-N 3.39Å; L1283-A1309 HydrophobicContact CD1-CB 4.04Å; L1283-L1310 HydrophobicContact CD1-CD2 3.87Å; L1283-L1310 HydrophobicContact CD1-CG 4.03Å; L1283-L1310 HydrophobicContact CD2-CD2 4.26Å; L1283-T1313 HydrophobicContact CB-CG2 4.5Å |
| 1284 | H | 92.6 | Very high | 89.7 | Confident | 111 Ų | 111 | 55.1 Ų | 55.1 | 51% | 0.514 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.3 | -54.4 | 178.2 | 178.5 | -85.3 | 0 | 0 | 0 | 111.8 | F1280 L1282 L1286 K1287 E1288 | F1280-H1284 WeakPolarHBondContact O-CB 3.17Å; F1280-H1284 PolarHBondContact O-N 3.45Å; L1282-H1284 VanDerWaalsContact C-N 3.33Å; L1282-H1284 PolarHBondContact O-N 3.2Å; H1284-L1286 VanDerWaalsContact C-N 3.34Å; H1284-L1286 PolarHBondContact O-N 3.26Å; H1284-K1287 PolarHBondContact O-N 3.41Å; H1284-E1288 IonicContact CE1-OE2 3.7Å; H1284-E1288 PolarHBondContact CE1-OE2 3.29Å; H1284-E1288 IonicContact ND1-OE2 2.7Å; H1284-E1288 WeakPolarHBondContact O-CB 3.37Å; H1284-E1288 PolarHBondContact O-N 2.9Å |
| 1285 | N | 92.4 | Very high | 89 | Confident | 14 Ų | 14 | 65.1 Ų | 65.1 | 8% | 0.075 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.7 | -34.5 | -175 | -70.3 | -24.9 | 0 | 0 | 0 | 112 | A1213 A1217 D1220 A1281 L1282 R1289 | A1213-N1285 HydrophobicContact CB-CB 4.3Å; A1217-N1285 VanDerWaalsContact CA-ND2 3.34Å; A1217-N1285 WeakPolarHBondContact CA-ND2 3.33Å; A1217-N1285 PolarHBondContact N-ND2 3.4Å; D1220-N1285 PolarHBondContact OD2-ND2 3.16Å; A1281-N1285 VanDerWaalsContact O-CB 3.23Å; A1281-N1285 WeakPolarHBondContact O-CB 3.22Å; A1281-N1285 VanDerWaalsContact O-CG 3.27Å; A1281-N1285 PolarHBondContact O-N 3.49Å; A1281-N1285 PolarHBondContact O-ND2 3.13Å; L1282-N1285 PolarHBondContact O-N 2.96Å; N1285-R1289 WeakPolarHBondContact O-CB 3.37Å; N1285-R1289 PolarHBondContact O-N 3.37Å |
| 1286 | L | 94.1 | Very high | 88.5 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.5 | -48.3 | 172.6 | -75.6 | 166.8 | 0 | 0 | 0 | 111.1 | V1210 A1213 L1282 H1284 L1290 A1309 L1312 | V1210-L1286 HydrophobicContact CB-CD2 4.35Å; V1210-L1286 HydrophobicContact CG1-CD2 3.98Å; V1210-L1286 HydrophobicContact CG2-CD2 4.42Å; A1213-L1286 HydrophobicContact CB-CD2 3.75Å; A1213-L1286 HydrophobicContact CB-CG 4.11Å; L1282-L1286 WeakPolarHBondContact O-CB 3.43Å; L1282-L1286 WeakPolarHBondContact O-CD1 3.21Å; L1282-L1286 VanDerWaalsContact O-CG 3.22Å; L1282-L1286 WeakPolarHBondContact O-CG 3.29Å; L1282-L1286 PolarHBondContact O-N 3.18Å; H1284-L1286 VanDerWaalsContact C-N 3.34Å; H1284-L1286 PolarHBondContact O-N 3.26Å; L1286-L1290 VanDerWaalsContact O-CB 3.3Å; L1286-L1290 WeakPolarHBondContact O-CB 3.47Å; L1286-L1290 WeakPolarHBondContact O-CG 3.2Å; L1286-L1290 PolarHBondContact O-N 2.98Å; L1286-A1309 HydrophobicContact CB-CB 4.03Å; L1286-L1312 HydrophobicContact CD1-CB 3.9Å; L1286-L1312 HydrophobicContact CD2-CD1 4.11Å |
| 1287 | K | 92.1 | Very high | 88.1 | Confident | 49 Ų | 49 | 61.3 Ų | 61.3 | 21% | 0.213 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.4 | -53.9 | 176.5 | -78.1 | -172.1 | 177 | -158.5 | 0 | 110.7 | L1283 H1284 R1289 L1290 Y1291 E1306 A1309 | L1283-K1287 WeakPolarHBondContact O-CB 3.46Å; L1283-K1287 VanDerWaalsContact O-CG 3.29Å; L1283-K1287 WeakPolarHBondContact O-CG 3.41Å; L1283-K1287 PolarHBondContact O-N 3.39Å; H1284-K1287 PolarHBondContact O-N 3.41Å; K1287-R1289 VanDerWaalsContact C-N 3.33Å; K1287-R1289 PolarHBondContact O-N 3.48Å; K1287-L1290 PolarHBondContact O-N 3.48Å; K1287-Y1291 HydrophobicContact CB-CD2 4.22Å; K1287-Y1291 HydrophobicContact CB-CE2 4.2Å; K1287-Y1291 WeakPolarHBondContact O-CB 3.29Å; K1287-Y1291 WeakPolarHBondContact O-CD2 3.43Å; K1287-Y1291 PolarHBondContact O-N 3.33Å; K1287-E1306 IonicContact NZ-OE1 3.61Å; K1287-E1306 PolarHBondContact NZ-OE1 3.4Å; K1287-A1309 HydrophobicContact CG-CB 3.62Å |
| 1288 | E | 90.3 | Very high | 87.9 | Confident | 105 Ų | 105 | 62.1 Ų | 62.1 | 49% | 0.491 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -56.8 | -46 | -177.6 | -170.6 | -173.7 | 173.6 | 0 | 0 | 111.6 | H1284 Y1291 S1292 | H1284-E1288 IonicContact CE1-OE2 3.7Å; H1284-E1288 PolarHBondContact CE1-OE2 3.29Å; H1284-E1288 IonicContact ND1-OE2 2.7Å; H1284-E1288 WeakPolarHBondContact O-CB 3.37Å; H1284-E1288 PolarHBondContact O-N 2.9Å; E1288-Y1291 PolarHBondContact O-N 2.99Å; E1288-S1292 WeakPolarHBondContact O-CB 3.47Å; E1288-S1292 PolarHBondContact O-N 2.88Å; E1288-S1292 PolarHBondContact O-OG 2.78Å |
| 1289 | R | 89.2 | Confident | 87.2 | Confident | 114 Ų | 114 | 65.2 Ų | 65.2 | 43% | 0.43 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.3 | -47 | 178.8 | -83.9 | -45.1 | -166.1 | -165.4 | -1.3 | 113.8 | A1213 N1285 K1287 Y1291 S1292 S1293 | A1213-R1289 HydrophobicContact CB-CB 4.31Å; A1213-R1289 HydrophobicContact CB-CG 4.33Å; N1285-R1289 WeakPolarHBondContact O-CB 3.37Å; N1285-R1289 PolarHBondContact O-N 3.37Å; K1287-R1289 VanDerWaalsContact C-N 3.33Å; K1287-R1289 PolarHBondContact O-N 3.48Å; R1289-Y1291 VanDerWaalsContact C-N 3.28Å; R1289-Y1291 PolarHBondContact O-N 2.88Å; R1289-S1292 WeakPolarHBondContact CA-OG 3.43Å; R1289-S1292 PolarHBondContact NH1-OG 3.49Å; R1289-S1292 PolarHBondContact O-N 3.45Å; R1289-S1292 VanDerWaalsContact O-N 3.1Å; R1289-S1292 PolarHBondContact O-OG 2.98Å; R1289-S1293 PolarHBondContact O-N 2.9Å; R1289-S1293 VanDerWaalsContact O-N 3.13Å; R1289-S1293 PolarHBondContact O-OG 3.29Å; R1289-S1293 VanDerWaalsContact O-OG 3.11Å |
| 1290 | L | 90.6 | Very high | 86.5 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 177.9 | -68.5 | 173 | 0 | 0 | 0 | 111.6 | L1199 F1200 L1206 L1286 K1287 S1293 Y1294 I1305 | L1199-L1290 HydrophobicContact CD2-CD1 4.07Å; L1199-L1290 HydrophobicContact CD2-CD2 4.13Å; F1200-L1290 HydrophobicContact CE1-CD2 4.28Å; L1206-L1290 HydrophobicContact CB-CD2 4.28Å; L1286-L1290 VanDerWaalsContact O-CB 3.3Å; L1286-L1290 WeakPolarHBondContact O-CB 3.47Å; L1286-L1290 WeakPolarHBondContact O-CG 3.2Å; L1286-L1290 PolarHBondContact O-N 2.98Å; K1287-L1290 PolarHBondContact O-N 3.48Å; L1290-S1293 PolarHBondContact O-N 2.96Å; L1290-Y1294 WeakPolarHBondContact O-CD2 3.18Å; L1290-I1305 HydrophobicContact CB-CG1 4.17Å; L1290-I1305 HydrophobicContact CB-CG2 3.64Å; L1290-I1305 HydrophobicContact CD1-CG2 4.26Å |
| 1291 | Y | 90.6 | Very high | 86.2 | Confident | 66 Ų | 66 | 63.7 Ų | 63.7 | 26% | 0.259 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 171.8 | -81.1 | -59.3 | 0 | 0 | 0 | 112.1 | K1287 E1288 R1289 S1293 Y1294 P1297 Q1302 I1305 E1306 | K1287-Y1291 HydrophobicContact CB-CD2 4.22Å; K1287-Y1291 HydrophobicContact CB-CE2 4.2Å; K1287-Y1291 WeakPolarHBondContact O-CB 3.29Å; K1287-Y1291 WeakPolarHBondContact O-CD2 3.43Å; K1287-Y1291 PolarHBondContact O-N 3.33Å; E1288-Y1291 PolarHBondContact O-N 2.99Å; R1289-Y1291 VanDerWaalsContact C-N 3.28Å; R1289-Y1291 PolarHBondContact O-N 2.88Å; Y1291-S1293 PolarHBondContact O-N 2.9Å; Y1291-Y1294 PolarHBondContact O-N 2.81Å; Y1291-Y1294 VanDerWaalsContact O-O 3.04Å; Y1291-P1297 HydrophobicContact CD1-CG 3.95Å; Y1291-P1297 HydrophobicContact CE1-CG 4.36Å; Y1291-Q1302 HydrophobicContact CE1-CB 4.19Å; Y1291-Q1302 HydrophobicContact CE1-CG 3.98Å; Y1291-I1305 HydrophobicContact CD1-CD1 3.97Å; Y1291-I1305 HydrophobicContact CD1-CG2 4.46Å; Y1291-I1305 HydrophobicContact CD2-CG2 4.22Å; Y1291-I1305 HydrophobicContact CE1-CD1 4.13Å; Y1291-I1305 HydrophobicContact CE1-CG2 4.29Å; Y1291-I1305 HydrophobicContact CE2-CG2 4.03Å; Y1291-I1305 HydrophobicContact CG-CG2 4.41Å; Y1291-E1306 WeakPolarHBondContact OH-CG 3.35Å |
| 1292 | S | 85.4 | Confident | 85.9 | Confident | 65 Ų | 65 | 66.7 Ų | 66.7 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.3 | -21 | -178.7 | 73.2 | 0 | 0 | 0 | 0 | 114 | E1288 R1289 Y1294 | E1288-S1292 WeakPolarHBondContact O-CB 3.47Å; E1288-S1292 PolarHBondContact O-N 2.88Å; E1288-S1292 PolarHBondContact O-OG 2.78Å; R1289-S1292 WeakPolarHBondContact CA-OG 3.43Å; R1289-S1292 PolarHBondContact NH1-OG 3.49Å; R1289-S1292 PolarHBondContact O-N 3.45Å; R1289-S1292 VanDerWaalsContact O-N 3.1Å; R1289-S1292 PolarHBondContact O-OG 2.98Å; S1292-Y1294 PolarHBondContact O-N 3.29Å |
| 1293 | S | 84.6 | Confident | 85.2 | Confident | 47 Ų | 47 | 71.2 Ų | 71.2 | 33% | 0.329 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -10.1 | 173.6 | -50.2 | 0 | 0 | 0 | 0 | 113.7 | L1206 R1289 L1290 Y1291 | L1206-S1293 WeakPolarHBondContact CD2-OG 3.41Å; R1289-S1293 PolarHBondContact O-N 2.9Å; R1289-S1293 VanDerWaalsContact O-N 3.13Å; R1289-S1293 PolarHBondContact O-OG 3.29Å; R1289-S1293 VanDerWaalsContact O-OG 3.11Å; L1290-S1293 PolarHBondContact O-N 2.96Å; Y1291-S1293 PolarHBondContact O-N 2.9Å |
| 1294 | Y | 79.9 | Confident | 84.7 | Confident | 34 Ų | 34 | 70.6 Ų | 70.6 | 13% | 0.133 | 36% | 0.364 | C | S | . | . | trans | -118.3 | 122 | 176.7 | -68.4 | -90.2 | 0 | 0 | 0 | 110.1 | N1203 L1206 L1290 Y1291 S1292 S1296 P1297 I1305 | N1203-Y1294 PolarHBondContact ND2-OH 3.15Å; L1206-Y1294 HydrophobicContact CD1-CE2 3.69Å; L1206-Y1294 WeakPolarHBondContact CD1-OH 3.06Å; L1290-Y1294 WeakPolarHBondContact O-CD2 3.18Å; Y1291-Y1294 PolarHBondContact O-N 2.81Å; Y1291-Y1294 VanDerWaalsContact O-O 3.04Å; S1292-Y1294 PolarHBondContact O-N 3.29Å; Y1294-S1296 PolarHBondContact O-N 3.2Å; Y1294-P1297 HydrophobicContact CG-CB 4.25Å; Y1294-I1305 HydrophobicContact CD2-CD1 3.98Å; Y1294-I1305 HydrophobicContact CE2-CD1 4.1Å | ||
| 1295 | E | 73.6 | Confident | 84.6 | Confident | 209 Ų | 209 | 65.3 Ų | 65.3 | 98% | 0.977 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -60.8 | -30.9 | 175.2 | -76.8 | -175.8 | 155.8 | 0 | 0 | 112.4 | ||
| 1296 | S | 78.1 | Confident | 84.4 | Confident | 104 Ų | 104 | 68.3 Ų | 68.3 | 73% | 0.727 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -160.3 | 90.9 | 175.4 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | Y1294 | Y1294-S1296 PolarHBondContact O-N 3.2Š|
| 1297 | P | 77.3 | Confident | 84.1 | Confident | 29 Ų | 29 | 73.6 Ų | 73.6 | 19% | 0.188 | 38% | 0.378 | C | S | . | . | trans | -71.6 | 137.4 | -175.4 | 23.3 | -27.6 | 0 | 0 | 0 | 112.3 | Y1291 Y1294 Q1301 Q1302 | Y1291-P1297 HydrophobicContact CD1-CG 3.95Å; Y1291-P1297 HydrophobicContact CE1-CG 4.36Å; Y1294-P1297 HydrophobicContact CG-CB 4.25Å; P1297-Q1301 HydrophobicContact CB-CB 4.15Å; P1297-Q1302 HydrophobicContact CB-CG 4.12Å; P1297-Q1302 HydrophobicContact CG-CG 4.17Å | ||
| 1298 | S | 80.6 | Confident | 84 | Confident | 58 Ų | 58 | 71.3 Ų | 71.3 | 41% | 0.406 | 37% | 0.368 | S | S | . | . | trans | -68.3 | 156.4 | 173 | 70.7 | 0 | 0 | 0 | 0 | 111.2 | E1300 Q1301 Q1302 | S1298-E1300 PolarHBondContact O-N 3.45Å; S1298-E1300 VanDerWaalsContact O-N 3.15Å; S1298-Q1301 CarbonylContact O-C 3.55Å; S1298-Q1301 WeakPolarHBondContact O-CA 3.2Å; S1298-Q1301 WeakPolarHBondContact O-CB 3.49Å; S1298-Q1301 PolarHBondContact O-N 3.49Å; S1298-Q1301 VanDerWaalsContact OG-CG 3.29Å; S1298-Q1301 WeakPolarHBondContact OG-CG 3.46Å; S1298-Q1301 PolarHBondContact OG-N 3.15Å; S1298-Q1301 PolarHBondContact OG-OE1 2.86Å; S1298-Q1302 WeakPolarHBondContact O-CG 3.46Å; S1298-Q1302 PolarHBondContact O-N 3.24Å | ||
| 1299 | S | 78.6 | Confident | 84 | Confident | 64 Ų | 64 | 66.3 Ų | 66.3 | 45% | 0.448 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -53.7 | -37.3 | 179.6 | 172.6 | 0 | 0 | 0 | 0 | 113.1 | Q1302 N1303 | S1299-Q1302 PolarHBondContact O-N 2.95Å; S1299-N1303 PolarHBondContact O-N 2.57Å; S1299-N1303 VanDerWaalsContact O-N 3.11Å |
| 1300 | E | 78 | Confident | 84.1 | Confident | 147 Ų | 147 | 64.4 Ų | 64.4 | 69% | 0.687 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.7 | -42.1 | 175.1 | -161 | 171.5 | -162.6 | 0 | 0 | 111.5 | S1298 Q1302 N1303 M1304 | S1298-E1300 PolarHBondContact O-N 3.45Å; S1298-E1300 VanDerWaalsContact O-N 3.15Å; E1300-Q1302 PolarHBondContact O-N 3.17Å; E1300-N1303 PolarHBondContact O-N 2.71Å; E1300-M1304 WeakPolarHBondContact O-CG 3.45Å; E1300-M1304 PolarHBondContact O-N 3.1Å |
| 1301 | Q | 83.1 | Confident | 83.9 | Confident | 59 Ų | 59 | 66.6 Ų | 66.6 | 28% | 0.276 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.8 | -37.1 | 173.6 | -70.3 | 169.1 | -20.9 | 0 | 0 | 112.3 | P1297 S1298 M1304 I1305 | P1297-Q1301 HydrophobicContact CB-CB 4.15Å; S1298-Q1301 CarbonylContact O-C 3.55Å; S1298-Q1301 WeakPolarHBondContact O-CA 3.2Å; S1298-Q1301 WeakPolarHBondContact O-CB 3.49Å; S1298-Q1301 PolarHBondContact O-N 3.49Å; S1298-Q1301 VanDerWaalsContact OG-CG 3.29Å; S1298-Q1301 WeakPolarHBondContact OG-CG 3.46Å; S1298-Q1301 PolarHBondContact OG-N 3.15Å; S1298-Q1301 PolarHBondContact OG-OE1 2.86Å; Q1301-M1304 PolarHBondContact O-N 3.46Å; Q1301-I1305 WeakPolarHBondContact O-CB 3.47Å; Q1301-I1305 WeakPolarHBondContact O-CD1 3.43Å; Q1301-I1305 WeakPolarHBondContact O-CG1 3.35Å; Q1301-I1305 PolarHBondContact O-N 3.02Å |
| 1302 | Q | 83.3 | Confident | 83.9 | Confident | 79 Ų | 79 | 63.6 Ų | 63.6 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 176.4 | -61.7 | -174.6 | -22.7 | 0 | 0 | 110.7 | Y1291 P1297 S1298 S1299 E1300 M1304 I1305 E1306 | Y1291-Q1302 HydrophobicContact CE1-CB 4.19Å; Y1291-Q1302 HydrophobicContact CE1-CG 3.98Å; P1297-Q1302 HydrophobicContact CB-CG 4.12Å; P1297-Q1302 HydrophobicContact CG-CG 4.17Å; S1298-Q1302 WeakPolarHBondContact O-CG 3.46Å; S1298-Q1302 PolarHBondContact O-N 3.24Å; S1299-Q1302 PolarHBondContact O-N 2.95Å; E1300-Q1302 PolarHBondContact O-N 3.17Å; Q1302-M1304 VanDerWaalsContact C-N 3.34Å; Q1302-M1304 PolarHBondContact O-N 3.4Å; Q1302-I1305 PolarHBondContact O-N 3.4Å; Q1302-E1306 WeakPolarHBondContact O-CG 3.46Å; Q1302-E1306 PolarHBondContact O-N 3.31Å |
| 1303 | N | 81.1 | Confident | 84.2 | Confident | 97 Ų | 97 | 60.7 Ų | 60.7 | 52% | 0.519 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 177.2 | -68.8 | -13.1 | 0 | 0 | 0 | 111.7 | S1299 E1300 I1305 E1306 E1307 | S1299-N1303 PolarHBondContact O-N 2.57Å; S1299-N1303 VanDerWaalsContact O-N 3.11Å; E1300-N1303 PolarHBondContact O-N 2.71Å; N1303-I1305 VanDerWaalsContact C-N 3.31Å; N1303-I1305 PolarHBondContact O-N 2.94Å; N1303-E1306 PolarHBondContact O-N 2.83Å; N1303-E1307 WeakPolarHBondContact O-CB 3.3Å; N1303-E1307 PolarHBondContact O-N 2.81Å |
| 1304 | M | 84.2 | Confident | 84.3 | Confident | 28 Ų | 28 | 62.3 Ų | 62.3 | 14% | 0.138 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.7 | -35.7 | 175.8 | -68.4 | 173.3 | 73.8 | 0 | 0 | 112.8 | T1198 L1199 I1202 E1300 Q1301 Q1302 A1308 | T1198-M1304 VanDerWaalsContact C-CE 3.41Å; T1198-M1304 WeakPolarHBondContact OG1-CE 3.31Å; L1199-M1304 HydrophobicContact CB-CB 4.36Å; L1199-M1304 HydrophobicContact CB-CE 4.32Å; L1199-M1304 HydrophobicContact CD1-CB 4.07Å; L1199-M1304 VanDerWaalsContact N-CE 3.32Å; I1202-M1304 HydrophobicContact CD1-CE 3.45Å; I1202-M1304 VanDerWaalsContact CD1-CE 3.45Å; I1202-M1304 HydrophobicContact CD1-SD 4.26Å; I1202-M1304 HydrophobicContact CG1-CE 4.33Å; E1300-M1304 WeakPolarHBondContact O-CG 3.45Å; E1300-M1304 PolarHBondContact O-N 3.1Å; Q1301-M1304 PolarHBondContact O-N 3.46Å; Q1302-M1304 VanDerWaalsContact C-N 3.34Å; Q1302-M1304 PolarHBondContact O-N 3.4Å; M1304-A1308 WeakPolarHBondContact O-CB 3.24Å; M1304-A1308 PolarHBondContact O-N 2.86Å |
| 1305 | I | 89 | Confident | 84.5 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.2 | -44.5 | 175 | -71.5 | 165.1 | 0 | 0 | 0 | 110.8 | L1199 L1290 Y1291 Y1294 Q1301 Q1302 N1303 A1308 A1309 | L1199-I1305 HydrophobicContact CD1-CG1 4.01Å; L1199-I1305 HydrophobicContact CD2-CG1 3.93Å; L1290-I1305 HydrophobicContact CB-CG1 4.17Å; L1290-I1305 HydrophobicContact CB-CG2 3.64Å; L1290-I1305 HydrophobicContact CD1-CG2 4.26Å; Y1291-I1305 HydrophobicContact CD1-CD1 3.97Å; Y1291-I1305 HydrophobicContact CD1-CG2 4.46Å; Y1291-I1305 HydrophobicContact CD2-CG2 4.22Å; Y1291-I1305 HydrophobicContact CE1-CD1 4.13Å; Y1291-I1305 HydrophobicContact CE1-CG2 4.29Å; Y1291-I1305 HydrophobicContact CE2-CG2 4.03Å; Y1291-I1305 HydrophobicContact CG-CG2 4.41Å; Y1294-I1305 HydrophobicContact CD2-CD1 3.98Å; Y1294-I1305 HydrophobicContact CE2-CD1 4.1Å; Q1301-I1305 WeakPolarHBondContact O-CB 3.47Å; Q1301-I1305 WeakPolarHBondContact O-CD1 3.43Å; Q1301-I1305 WeakPolarHBondContact O-CG1 3.35Å; Q1301-I1305 PolarHBondContact O-N 3.02Å; Q1302-I1305 PolarHBondContact O-N 3.4Å; N1303-I1305 VanDerWaalsContact C-N 3.31Å; N1303-I1305 PolarHBondContact O-N 2.94Å; I1305-A1308 PolarHBondContact O-N 2.97Å; I1305-A1309 WeakPolarHBondContact O-CB 3.29Å; I1305-A1309 PolarHBondContact O-N 2.81Å |
| 1306 | E | 89.5 | Confident | 85.3 | Confident | 78 Ų | 78 | 54.1 Ų | 54.1 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 179.6 | -64 | -142 | 124.3 | 0 | 0 | 112.3 | K1287 Y1291 Q1302 N1303 A1309 L1310 | K1287-E1306 IonicContact NZ-OE1 3.61Å; K1287-E1306 PolarHBondContact NZ-OE1 3.4Å; Y1291-E1306 WeakPolarHBondContact OH-CG 3.35Å; Q1302-E1306 WeakPolarHBondContact O-CG 3.46Å; Q1302-E1306 PolarHBondContact O-N 3.31Å; N1303-E1306 PolarHBondContact O-N 2.83Å; E1306-A1309 PolarHBondContact O-N 2.95Å; E1306-L1310 PolarHBondContact O-N 3.21Å; E1306-L1310 VanDerWaalsContact O-N 3.12Å |
| 1307 | E | 87.7 | Confident | 86 | Confident | 112 Ų | 112 | 49.6 Ų | 49.6 | 52% | 0.523 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 177 | -171.5 | -177.6 | 179.4 | 0 | 0 | 111 | N1303 A1309 L1310 I1311 | N1303-E1307 WeakPolarHBondContact O-CB 3.3Å; N1303-E1307 PolarHBondContact O-N 2.81Å; E1307-A1309 PolarHBondContact O-N 3.5Å; E1307-L1310 PolarHBondContact O-N 3.29Å; E1307-I1311 HydrophobicContact CG-CD1 3.89Å; E1307-I1311 WeakPolarHBondContact O-CG1 3.41Å; E1307-I1311 PolarHBondContact O-N 3.29Å |
| 1308 | A | 88.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60 | -43.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1197 L1199 M1304 I1305 L1310 I1311 L1312 | I1197-A1308 HydrophobicContact CG2-CB 3.52Å; L1199-A1308 HydrophobicContact CB-CB 4.27Å; L1199-A1308 HydrophobicContact CD2-CB 3.87Å; M1304-A1308 WeakPolarHBondContact O-CB 3.24Å; M1304-A1308 PolarHBondContact O-N 2.86Å; I1305-A1308 PolarHBondContact O-N 2.97Å; A1308-L1310 PolarHBondContact O-N 3.04Å; A1308-I1311 PolarHBondContact O-N 2.88Å; A1308-L1312 VanDerWaalsContact O-CB 3.32Å; A1308-L1312 WeakPolarHBondContact O-CB 3.37Å; A1308-L1312 WeakPolarHBondContact O-CD1 3.11Å; A1308-L1312 WeakPolarHBondContact O-CG 3.46Å; A1308-L1312 PolarHBondContact O-N 3.5Å |
| 1309 | A | 92.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.4 | -38 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1283 L1286 K1287 I1305 E1306 E1307 T1313 | L1283-A1309 HydrophobicContact CD1-CB 4.04Å; L1286-A1309 HydrophobicContact CB-CB 4.03Å; K1287-A1309 HydrophobicContact CG-CB 3.62Å; I1305-A1309 WeakPolarHBondContact O-CB 3.29Å; I1305-A1309 PolarHBondContact O-N 2.81Å; E1306-A1309 PolarHBondContact O-N 2.95Å; E1307-A1309 PolarHBondContact O-N 3.5Å; A1309-T1313 VanDerWaalsContact O-CB 3.32Å; A1309-T1313 WeakPolarHBondContact O-CB 3.42Å; A1309-T1313 PolarHBondContact O-N 3.38Å; A1309-T1313 VanDerWaalsContact O-N 3.08Å; A1309-T1313 PolarHBondContact O-OG1 2.92Å |
| 1310 | L | 89.5 | Confident | 87.2 | Confident | 75 Ų | 75 | 47.4 Ų | 47.4 | 39% | 0.393 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.3 | -51.6 | 175.4 | -80.5 | 166.3 | 0 | 0 | 0 | 111.6 | L1283 E1306 E1307 A1308 L1312 T1313 D1314 | L1283-L1310 HydrophobicContact CD1-CD2 3.87Å; L1283-L1310 HydrophobicContact CD1-CG 4.03Å; L1283-L1310 HydrophobicContact CD2-CD2 4.26Å; E1306-L1310 PolarHBondContact O-N 3.21Å; E1306-L1310 VanDerWaalsContact O-N 3.12Å; E1307-L1310 PolarHBondContact O-N 3.29Å; A1308-L1310 PolarHBondContact O-N 3.04Å; L1310-L1312 PolarHBondContact O-N 3.47Å; L1310-T1313 PolarHBondContact O-N 3.15Å; L1310-D1314 PolarHBondContact O-N 3.45Å |
| 1311 | I | 87.7 | Confident | 87.8 | Confident | 47 Ų | 47 | 40.4 Ų | 40.4 | 24% | 0.241 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.9 | -49.5 | -180 | -65.7 | 168.9 | 0 | 0 | 0 | 110.5 | I1197 E1307 A1308 T1313 D1314 E1315 | I1197-I1311 HydrophobicContact CD1-CB 4.43Å; I1197-I1311 HydrophobicContact CD1-CG2 4.01Å; I1197-I1311 HydrophobicContact CG1-CG2 4.25Å; E1307-I1311 HydrophobicContact CG-CD1 3.89Å; E1307-I1311 WeakPolarHBondContact O-CG1 3.41Å; E1307-I1311 PolarHBondContact O-N 3.29Å; A1308-I1311 PolarHBondContact O-N 2.88Å; I1311-T1313 VanDerWaalsContact C-N 3.29Å; I1311-T1313 PolarHBondContact O-N 2.67Å; I1311-D1314 PolarHBondContact O-N 2.99Å; I1311-E1315 HydrophobicContact CG2-CG 4.28Å; I1311-E1315 WeakPolarHBondContact O-CB 3.49Å; I1311-E1315 WeakPolarHBondContact O-CG 3.47Å; I1311-E1315 PolarHBondContact O-N 3.25Å |
| 1312 | L | 90.8 | Very high | 87.8 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.9 | -38 | 179.4 | -73.3 | 170.4 | 0 | 0 | 0 | 112.8 | I1193 I1197 F1200 V1210 L1286 A1308 L1310 N1316 | I1193-L1312 HydrophobicContact CG1-CD2 4.23Å; I1193-L1312 HydrophobicContact CG2-CD2 4.27Å; I1197-L1312 HydrophobicContact CD1-CD2 3.91Å; I1197-L1312 HydrophobicContact CD1-CG 3.95Å; F1200-L1312 HydrophobicContact CE2-CD1 3.8Å; F1200-L1312 HydrophobicContact CE2-CD2 4.24Å; F1200-L1312 HydrophobicContact CE2-CG 4.34Å; F1200-L1312 HydrophobicContact CZ-CD1 3.79Å; V1210-L1312 HydrophobicContact CG1-CD1 4.17Å; V1210-L1312 HydrophobicContact CG1-CD2 4.38Å; V1210-L1312 HydrophobicContact CG2-CD1 3.84Å; L1286-L1312 HydrophobicContact CD1-CB 3.9Å; L1286-L1312 HydrophobicContact CD2-CD1 4.11Å; A1308-L1312 VanDerWaalsContact O-CB 3.32Å; A1308-L1312 WeakPolarHBondContact O-CB 3.37Å; A1308-L1312 WeakPolarHBondContact O-CD1 3.11Å; A1308-L1312 WeakPolarHBondContact O-CG 3.46Å; A1308-L1312 PolarHBondContact O-N 3.5Å; L1310-L1312 PolarHBondContact O-N 3.47Å; L1312-N1316 WeakPolarHBondContact O-CB 3.43Å; L1312-N1316 PolarHBondContact O-N 2.99Å; L1312-N1316 PolarHBondContact O-ND2 3.43Å |
| 1313 | T | 91.2 | Very high | 88 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.1 | -47.4 | 177.1 | -59.5 | 0 | 0 | 0 | 0 | 110.2 | R1279 L1282 L1283 A1309 L1310 I1311 N1316 I1317 | R1279-T1313 HydrophobicContact CG-CG2 4.03Å; L1282-T1313 HydrophobicContact CB-CG2 3.92Å; L1282-T1313 HydrophobicContact CD1-CG2 4.39Å; L1283-T1313 HydrophobicContact CB-CG2 4.5Å; A1309-T1313 VanDerWaalsContact O-CB 3.32Å; A1309-T1313 WeakPolarHBondContact O-CB 3.42Å; A1309-T1313 PolarHBondContact O-N 3.38Å; A1309-T1313 VanDerWaalsContact O-N 3.08Å; A1309-T1313 PolarHBondContact O-OG1 2.92Å; L1310-T1313 PolarHBondContact O-N 3.15Å; I1311-T1313 VanDerWaalsContact C-N 3.29Å; I1311-T1313 PolarHBondContact O-N 2.67Å; T1313-N1316 PolarHBondContact O-N 3Å; T1313-I1317 VanDerWaalsContact O-CB 3.22Å; T1313-I1317 WeakPolarHBondContact O-CB 3.45Å; T1313-I1317 WeakPolarHBondContact O-CG2 3.1Å; T1313-I1317 PolarHBondContact O-N 3.42Å |
| 1314 | D | 85.9 | Confident | 88.4 | Confident | 82 Ų | 82 | 30.9 Ų | 30.9 | 44% | 0.439 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -66.4 | -38.9 | -177.7 | -79.8 | -23.2 | 0 | 0 | 0 | 112.8 | R1279 L1310 I1311 | R1279-D1314 IonicContact CZ-OD1 3.78Å; R1279-D1314 IonicContact NH1-OD1 3.05Å; R1279-D1314 PolarHBondContact NH1-OD1 3.13Å; R1279-D1314 IonicContact NH2-OD1 3.9Å; R1279-D1314 PolarHBondContact NH2-OD1 2.74Å; R1279-D1314 IonicContact NH2-OD2 2.73Å; L1310-D1314 PolarHBondContact O-N 3.45Å; I1311-D1314 PolarHBondContact O-N 2.99Å |
| 1315 | E | 84.2 | Confident | 88.5 | Confident | 67 Ų | 67 | 29.9 Ų | 29.9 | 31% | 0.313 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -70.3 | -35.7 | 178.6 | -71.3 | 179 | 169.6 | 0 | 0 | 112.5 | H1194 I1311 | H1194-E1315 WeakPolarHBondContact CB-OE1 3.33Å; H1194-E1315 WeakPolarHBondContact CB-OE2 3.35Å; H1194-E1315 IonicContact CD2-OE1 3.51Å; H1194-E1315 IonicContact CG-OE1 2.62Å; I1311-E1315 HydrophobicContact CG2-CG 4.28Å; I1311-E1315 WeakPolarHBondContact O-CB 3.49Å; I1311-E1315 WeakPolarHBondContact O-CG 3.47Å; I1311-E1315 PolarHBondContact O-N 3.25Å |
| 1316 | N | 90.1 | Very high | 88.2 | Confident | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -105.6 | -8 | -169.5 | -66.4 | -81.7 | 0 | 0 | 0 | 114.9 | L1191 E1192 L1312 T1313 E1318 L1319 C1320 | L1191-N1316 HydrophobicContact CD2-CB 4.45Å; L1191-N1316 WeakPolarHBondContact CG-OD1 3.44Å; E1192-N1316 PolarHBondContact N-OD1 3.3Å; E1192-N1316 PolarHBondContact O-ND2 3.35Å; E1192-N1316 PolarHBondContact O-OD1 3.21Å; L1312-N1316 WeakPolarHBondContact O-CB 3.43Å; L1312-N1316 PolarHBondContact O-N 2.99Å; L1312-N1316 PolarHBondContact O-ND2 3.43Å; T1313-N1316 PolarHBondContact O-N 3Å; N1316-E1318 PolarHBondContact O-N 3.15Å; N1316-L1319 PolarHBondContact O-N 3.34Å; N1316-C1320 WeakPolarHBondContact O-CB 3.48Å; N1316-C1320 PolarHBondContact O-N 3.24Å; N1316-C1320 PolarHBondContact O-SG 3.17Å |
| 1317 | I | 92.7 | Very high | 88.2 | Confident | 8 Ų | 8 | 29.4 Ų | 29.4 | 4% | 0.041 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.8 | -42.8 | -176.4 | -173.1 | 169 | 0 | 0 | 0 | 112.8 | L1278 R1279 L1282 T1313 C1320 L1321 | L1278-I1317 HydrophobicContact CD2-CG1 4.24Å; R1279-I1317 HydrophobicContact CB-CD1 3.5Å; R1279-I1317 HydrophobicContact CG-CD1 3.85Å; L1282-I1317 HydrophobicContact CD1-CB 4.42Å; T1313-I1317 VanDerWaalsContact O-CB 3.22Å; T1313-I1317 WeakPolarHBondContact O-CB 3.45Å; T1313-I1317 WeakPolarHBondContact O-CG2 3.1Å; T1313-I1317 PolarHBondContact O-N 3.42Å; I1317-C1320 PolarHBondContact O-N 3.48Å; I1317-L1321 VanDerWaalsContact O-CB 3.28Å; I1317-L1321 WeakPolarHBondContact O-CB 3.42Å; I1317-L1321 PolarHBondContact O-N 3.34Å |
| 1318 | E | 85.7 | Confident | 88.3 | Confident | 82 Ų | 82 | 24 Ų | 24 | 38% | 0.383 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -68.8 | -37.5 | -178.3 | -67.7 | -60.8 | 152.7 | 0 | 0 | 111.5 | R1275 N1316 L1321 C1322 | R1275-E1318 IonicContact CZ-OE1 2.77Å; R1275-E1318 IonicContact NE-OE1 2.89Å; R1275-E1318 IonicContact NH2-OE1 3.28Å; R1275-E1318 PolarHBondContact NH2-OE1 2.94Å; N1316-E1318 PolarHBondContact O-N 3.15Å; E1318-L1321 PolarHBondContact O-N 3.19Å; E1318-C1322 WeakPolarHBondContact O-CB 3.46Å; E1318-C1322 PolarHBondContact O-N 2.82Å; E1318-C1322 PolarHBondContact O-SG 2.95Å |
| 1319 | L | 86.9 | Confident | 88.1 | Confident | 23 Ų | 23 | 24 Ų | 24 | 12% | 0.12 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.3 | -47.6 | 173.5 | -177.9 | 73.5 | 0 | 0 | 0 | 111.2 | P1174 F1175 L1187 K1190 N1316 C1322 Y1323 | P1174-L1319 HydrophobicContact CB-CD1 4.17Å; P1174-L1319 HydrophobicContact CG-CD1 3.68Å; F1175-L1319 HydrophobicContact CE2-CD1 3.53Å; F1175-L1319 HydrophobicContact CE2-CG 4.32Å; F1175-L1319 HydrophobicContact CZ-CD1 3.94Å; L1187-L1319 HydrophobicContact CD1-CD2 3.97Å; L1187-L1319 HydrophobicContact CD1-CG 3.83Å; K1190-L1319 HydrophobicContact CB-CD1 4.3Å; K1190-L1319 HydrophobicContact CB-CD2 4.02Å; K1190-L1319 WeakPolarHBondContact O-CD2 2.92Å; N1316-L1319 PolarHBondContact O-N 3.34Å; L1319-C1322 PolarHBondContact O-N 3.49Å; L1319-Y1323 PolarHBondContact O-N 3.41Å; L1319-Y1323 VanDerWaalsContact O-N 3.14Å |
| 1320 | C | 90.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 177.5 | -68.1 | 0 | 0 | 0 | 0 | 111.6 | M1218 L1278 N1316 I1317 Y1323 L1324 | M1218-C1320 HydrophobicContact CE-CB 4.38Å; M1218-C1320 WeakPolarHBondContact CE-O 3.17Å; M1218-C1320 HydrophobicContact SD-CB 3.71Å; L1278-C1320 HydrophobicContact CD1-CB 4.35Å; L1278-C1320 HydrophobicContact CD2-CB 3.74Å; L1278-C1320 HydrophobicContact CG-CB 4.48Å; N1316-C1320 WeakPolarHBondContact O-CB 3.48Å; N1316-C1320 PolarHBondContact O-N 3.24Å; N1316-C1320 PolarHBondContact O-SG 3.17Å; I1317-C1320 PolarHBondContact O-N 3.48Å; C1320-Y1323 WeakPolarHBondContact O-CB 3.46Å; C1320-Y1323 PolarHBondContact O-N 3.43Å; C1320-L1324 PolarHBondContact O-N 2.83Å |
| 1321 | L | 90.9 | Very high | 87.6 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.5 | -41.6 | 177.1 | -170.1 | 63 | 0 | 0 | 0 | 111.6 | C1274 R1275 L1278 I1317 E1318 Y1323 L1324 M1325 | C1274-L1321 HydrophobicContact CB-CD1 4.22Å; R1275-L1321 HydrophobicContact CB-CD1 4.21Å; R1275-L1321 HydrophobicContact CB-CD2 4Å; R1275-L1321 HydrophobicContact CG-CD2 3.94Å; L1278-L1321 HydrophobicContact CD2-CB 4.16Å; L1278-L1321 HydrophobicContact CD2-CD1 4.4Å; I1317-L1321 VanDerWaalsContact O-CB 3.28Å; I1317-L1321 WeakPolarHBondContact O-CB 3.42Å; I1317-L1321 PolarHBondContact O-N 3.34Å; E1318-L1321 PolarHBondContact O-N 3.19Å; L1321-Y1323 VanDerWaalsContact C-N 3.29Å; L1321-Y1323 PolarHBondContact O-N 3.34Å; L1321-L1324 PolarHBondContact O-N 2.7Å; L1321-L1324 VanDerWaalsContact O-N 3.12Å; L1321-M1325 HydrophobicContact CG-SD 4.33Å; L1321-M1325 VanDerWaalsContact O-CG 3.28Å; L1321-M1325 WeakPolarHBondContact O-CG 3.39Å; L1321-M1325 PolarHBondContact O-N 3.41Å |
| 1322 | C | 82.9 | Confident | 87.6 | Confident | 23 Ų | 23 | 22.7 Ų | 22.7 | 16% | 0.155 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.2 | -41.2 | 174 | -73.2 | 0 | 0 | 0 | 0 | 111.9 | E1318 L1319 M1325 R1326 | E1318-C1322 WeakPolarHBondContact O-CB 3.46Å; E1318-C1322 PolarHBondContact O-N 2.82Å; E1318-C1322 PolarHBondContact O-SG 2.95Å; L1319-C1322 PolarHBondContact O-N 3.49Å; C1322-M1325 PolarHBondContact O-N 2.86Å; C1322-R1326 WeakPolarHBondContact O-CB 3.36Å; C1322-R1326 PolarHBondContact O-N 2.97Å; C1322-R1326 VanDerWaalsContact O-N 3.08Å |
| 1323 | Y | 87.4 | Confident | 87.5 | Confident | 11 Ų | 11 | 23.4 Ų | 23.4 | 4% | 0.043 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.2 | -46.6 | 173.4 | 177.5 | -81 | 0 | 0 | 0 | 111.7 | I1182 L1187 M1218 I1222 L1319 C1320 L1321 M1325 R1326 H1327 | I1182-Y1323 HydrophobicContact CG2-CD2 3.92Å; I1182-Y1323 HydrophobicContact CG2-CE1 4.41Å; I1182-Y1323 HydrophobicContact CG2-CE2 3.22Å; L1187-Y1323 HydrophobicContact CB-CD2 4.11Å; L1187-Y1323 HydrophobicContact CB-CE2 4.44Å; L1187-Y1323 HydrophobicContact CD2-CG 4.48Å; M1218-Y1323 HydrophobicContact CE-CD1 3.25Å; M1218-Y1323 HydrophobicContact CE-CE1 3.94Å; M1218-Y1323 HydrophobicContact CE-CG 3.98Å; I1222-Y1323 HydrophobicContact CD1-CE1 4.41Å; L1319-Y1323 PolarHBondContact O-N 3.41Å; L1319-Y1323 VanDerWaalsContact O-N 3.14Å; C1320-Y1323 WeakPolarHBondContact O-CB 3.46Å; C1320-Y1323 PolarHBondContact O-N 3.43Å; L1321-Y1323 VanDerWaalsContact C-N 3.29Å; L1321-Y1323 PolarHBondContact O-N 3.34Å; Y1323-M1325 PolarHBondContact O-N 2.95Å; Y1323-R1326 PolarHBondContact O-N 2.73Å; Y1323-H1327 HydrophobicContact CE1-CB 4.42Å; Y1323-H1327 WeakPolarHBondContact O-CB 3.34Å; Y1323-H1327 PolarHBondContact O-N 3.13Å |
| 1324 | L | 88.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 177.8 | -70.1 | -178.7 | 0 | 0 | 0 | 112.3 | M1218 V1221 I1222 C1274 L1278 C1320 L1321 R1326 H1327 F1328 | M1218-L1324 HydrophobicContact CE-CD2 3.63Å; M1218-L1324 HydrophobicContact CE-CG 3.67Å; M1218-L1324 HydrophobicContact SD-CD1 4.45Å; M1218-L1324 HydrophobicContact SD-CD2 4.33Å; M1218-L1324 HydrophobicContact SD-CG 4.22Å; V1221-L1324 HydrophobicContact CB-CD1 4.49Å; V1221-L1324 HydrophobicContact CG1-CD1 3.81Å; I1222-L1324 HydrophobicContact CD1-CD2 3.68Å; I1222-L1324 HydrophobicContact CG1-CD2 3.24Å; C1274-L1324 HydrophobicContact CB-CD1 3.66Å; L1278-L1324 HydrophobicContact CD1-CD1 4.36Å; L1278-L1324 HydrophobicContact CD2-CD1 3.96Å; C1320-L1324 PolarHBondContact O-N 2.83Å; L1321-L1324 PolarHBondContact O-N 2.7Å; L1321-L1324 VanDerWaalsContact O-N 3.12Å; L1324-R1326 VanDerWaalsContact C-N 3.3Å; L1324-R1326 PolarHBondContact O-N 2.79Å; L1324-H1327 PolarHBondContact O-N 3.39Å; L1324-F1328 HydrophobicContact CB-CD2 4.48Å; L1324-F1328 HydrophobicContact CD2-CE2 4.44Å; L1324-F1328 VanDerWaalsContact O-CD2 3.26Å; L1324-F1328 WeakPolarHBondContact O-CD2 3.5Å; L1324-F1328 PolarHBondContact O-N 3.19Å |
| 1325 | M | 87.1 | Confident | 87.4 | Confident | 8 Ų | 8 | 28.8 Ų | 28.8 | 4% | 0.039 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.1 | -45 | 176.9 | -69.9 | 173.9 | 63.9 | 0 | 0 | 111 | A1267 A1270 H1271 L1321 C1322 Y1323 A1329 V1393 | A1267-M1325 HydrophobicContact CB-CB 4.1Å; A1267-M1325 HydrophobicContact CB-CE 3.91Å; A1267-M1325 WeakPolarHBondContact O-CG 3.27Å; A1270-M1325 HydrophobicContact CB-CG 4.21Å; H1271-M1325 HydrophobicContact CB-CE 4.21Å; H1271-M1325 HydrophobicContact CB-CG 4.22Å; H1271-M1325 HydrophobicContact CB-SD 3.86Å; L1321-M1325 HydrophobicContact CG-SD 4.33Å; L1321-M1325 VanDerWaalsContact O-CG 3.28Å; L1321-M1325 WeakPolarHBondContact O-CG 3.39Å; L1321-M1325 PolarHBondContact O-N 3.41Å; C1322-M1325 PolarHBondContact O-N 2.86Å; Y1323-M1325 PolarHBondContact O-N 2.95Å; M1325-A1329 WeakPolarHBondContact O-CB 3.42Å; M1325-A1329 PolarHBondContact O-N 3.3Å; M1325-V1393 HydrophobicContact CE-CG1 4.31Å |
| 1326 | R | 83.6 | Confident | 87.5 | Confident | 27 Ų | 27 | 25.6 Ų | 25.6 | 10% | 0.102 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.4 | -42.3 | 177.5 | -166.5 | 176.1 | 164.9 | 95.5 | 5.6 | 112.1 | D1177 I1182 C1322 Y1323 L1324 G1330 G1395 F1396 | D1177-R1326 IonicContact OD1-CZ 3.46Å; D1177-R1326 VanDerWaalsContact OD1-CZ 3.28Å; D1177-R1326 IonicContact OD1-NH1 2.63Å; D1177-R1326 PolarHBondContact OD1-NH1 3.17Å; D1177-R1326 IonicContact OD1-NH2 3.78Å; D1177-R1326 PolarHBondContact OD1-NH2 3.4Å; I1182-R1326 HydrophobicContact CD1-CB 4.48Å; I1182-R1326 HydrophobicContact CD1-CG 3.89Å; C1322-R1326 WeakPolarHBondContact O-CB 3.36Å; C1322-R1326 PolarHBondContact O-N 2.97Å; C1322-R1326 VanDerWaalsContact O-N 3.08Å; Y1323-R1326 PolarHBondContact O-N 2.73Å; L1324-R1326 VanDerWaalsContact C-N 3.3Å; L1324-R1326 PolarHBondContact O-N 2.79Å; R1326-G1330 PolarHBondContact O-N 2.77Å; R1326-G1395 PolarHBondContact NH1-O 3.45Å; R1326-F1396 HydrophobicContact CB-CE2 4.33Å; R1326-F1396 HydrophobicContact CB-CZ 4.14Å; R1326-F1396 HydrophobicContact CG-CE1 4.11Å; R1326-F1396 HydrophobicContact CG-CE2 4.27Å; R1326-F1396 HydrophobicContact CG-CZ 3.73Å |
| 1327 | H | 87.8 | Confident | 87.4 | Confident | 40 Ų | 40 | 26.4 Ų | 26.4 | 19% | 0.185 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.1 | -51.4 | 176.8 | -179.4 | 92.3 | 0 | 0 | 0 | 111.9 | Y1323 L1324 G1330 K1331 | Y1323-H1327 HydrophobicContact CE1-CB 4.42Å; Y1323-H1327 WeakPolarHBondContact O-CB 3.34Å; Y1323-H1327 PolarHBondContact O-N 3.13Å; L1324-H1327 PolarHBondContact O-N 3.39Å; H1327-G1330 PolarHBondContact O-N 3.31Å; H1327-K1331 PolarHBondContact O-N 2.95Å |
| 1328 | F | 90.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.7 | -39.1 | -178.6 | -78.3 | -58.7 | 0 | 0 | 0 | 113 | I1222 K1226 V1229 L1230 A1270 L1324 G1330 K1331 L1332 | I1222-F1328 HydrophobicContact CG2-CZ 4.36Å; K1226-F1328 HydrophobicContact CB-CE1 3.85Å; K1226-F1328 HydrophobicContact CB-CZ 4.35Å; K1226-F1328 HydrophobicContact CG-CE1 4.17Å; V1229-F1328 HydrophobicContact CB-CD1 4.46Å; V1229-F1328 HydrophobicContact CG1-CB 4.14Å; V1229-F1328 HydrophobicContact CG1-CD1 4.15Å; V1229-F1328 HydrophobicContact CG1-CG 4.01Å; L1230-F1328 HydrophobicContact CD2-CD1 4.43Å; L1230-F1328 HydrophobicContact CG-CD1 4.48Å; A1270-F1328 HydrophobicContact CB-CB 3.92Å; A1270-F1328 HydrophobicContact CB-CD2 3.62Å; A1270-F1328 HydrophobicContact CB-CG 4.13Å; L1324-F1328 HydrophobicContact CB-CD2 4.48Å; L1324-F1328 HydrophobicContact CD2-CE2 4.44Å; L1324-F1328 VanDerWaalsContact O-CD2 3.26Å; L1324-F1328 WeakPolarHBondContact O-CD2 3.5Å; L1324-F1328 PolarHBondContact O-N 3.19Å; F1328-G1330 VanDerWaalsContact C-N 3.34Å; F1328-G1330 PolarHBondContact O-N 3.32Å; F1328-K1331 PolarHBondContact O-N 3.13Å; F1328-L1332 VanDerWaalsContact O-CB 3.27Å; F1328-L1332 WeakPolarHBondContact O-CB 3.31Å; F1328-L1332 PolarHBondContact O-N 3.39Å |
| 1329 | A | 83.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1267 M1325 N1333 F1396 | A1267-A1329 HydrophobicContact CB-CB 4.44Å; M1325-A1329 WeakPolarHBondContact O-CB 3.42Å; M1325-A1329 PolarHBondContact O-N 3.3Å; A1329-N1333 VanDerWaalsContact O-CG 3.31Å; A1329-N1333 PolarHBondContact O-N 2.91Å; A1329-N1333 VanDerWaalsContact O-N 3.14Å; A1329-N1333 PolarHBondContact O-ND2 3.18Å; A1329-F1396 HydrophobicContact CB-CE2 4.03Å; A1329-F1396 HydrophobicContact CB-CZ 3.67Å |
| 1330 | G | 83.7 | Confident | 87.3 | Confident | 28 Ų | 28 | 27 Ų | 27 | 29% | 0.289 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -61.2 | -53.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1326 H1327 F1328 L1332 N1333 E1334 | R1326-G1330 PolarHBondContact O-N 2.77Å; H1327-G1330 PolarHBondContact O-N 3.31Å; F1328-G1330 VanDerWaalsContact C-N 3.34Å; F1328-G1330 PolarHBondContact O-N 3.32Å; G1330-L1332 VanDerWaalsContact C-N 3.31Å; G1330-L1332 PolarHBondContact O-N 3.02Å; G1330-N1333 PolarHBondContact O-N 3.12Å; G1330-E1334 PolarHBondContact O-N 2.86Å |
| 1331 | K | 87.9 | Confident | 87.2 | Confident | 66 Ų | 66 | 33 Ų | 33 | 29% | 0.287 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -55.2 | -43.8 | 176 | -90.1 | -77.6 | 179.4 | -163.5 | 0 | 112.8 | L1230 H1327 F1328 N1333 E1334 E1335 | L1230-K1331 HydrophobicContact CD1-CB 4.36Å; L1230-K1331 HydrophobicContact CD2-CB 4Å; H1327-K1331 PolarHBondContact O-N 2.95Å; F1328-K1331 PolarHBondContact O-N 3.13Å; K1331-N1333 PolarHBondContact O-N 3.06Å; K1331-E1334 PolarHBondContact O-N 3.14Å; K1331-E1335 WeakPolarHBondContact O-CG 3.4Å; K1331-E1335 PolarHBondContact O-N 3.27Å; K1331-E1335 VanDerWaalsContact O-N 3.11Å |
| 1332 | L | 88.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.6 | -39 | -179.2 | -178 | 61.9 | 0 | 0 | 0 | 111.8 | L1230 L1234 G1262 F1328 G1330 E1335 L1336 | L1230-L1332 HydrophobicContact CD2-CB 3.82Å; L1230-L1332 HydrophobicContact CD2-CD1 4.26Å; L1234-L1332 HydrophobicContact CB-CD1 3.95Å; L1234-L1332 HydrophobicContact CD1-CD1 4.06Å; G1262-L1332 WeakPolarHBondContact O-CD2 3.25Å; F1328-L1332 VanDerWaalsContact O-CB 3.27Å; F1328-L1332 WeakPolarHBondContact O-CB 3.31Å; F1328-L1332 PolarHBondContact O-N 3.39Å; G1330-L1332 VanDerWaalsContact C-N 3.31Å; G1330-L1332 PolarHBondContact O-N 3.02Å; L1332-E1335 PolarHBondContact O-N 3.49Å; L1332-L1336 WeakPolarHBondContact O-CB 3.21Å; L1332-L1336 PolarHBondContact O-N 3.04Å |
| 1333 | N | 88.4 | Confident | 87 | Confident | 18 Ų | 18 | 35 Ų | 35 | 10% | 0.096 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.3 | -38.6 | 177 | -71.6 | -35.1 | 0 | 0 | 0 | 112.5 | R1259 G1262 R1263 A1329 G1330 K1331 L1336 D1337 | R1259-N1333 WeakPolarHBondContact CA-OD1 3.45Å; R1259-N1333 PolarHBondContact O-OD1 2.93Å; G1262-N1333 WeakPolarHBondContact CA-OD1 3.44Å; R1263-N1333 VanDerWaalsContact CG-ND2 3.31Å; R1263-N1333 WeakPolarHBondContact CG-ND2 3.48Å; A1329-N1333 VanDerWaalsContact O-CG 3.31Å; A1329-N1333 PolarHBondContact O-N 2.91Å; A1329-N1333 VanDerWaalsContact O-N 3.14Å; A1329-N1333 PolarHBondContact O-ND2 3.18Å; G1330-N1333 PolarHBondContact O-N 3.12Å; K1331-N1333 PolarHBondContact O-N 3.06Å; N1333-L1336 PolarHBondContact O-N 3.23Å; N1333-D1337 WeakPolarHBondContact O-CB 3.45Å; N1333-D1337 PolarHBondContact O-N 3.42Å |
| 1334 | E | 86.5 | Confident | 87.1 | Confident | 117 Ų | 117 | 35.7 Ų | 35.7 | 55% | 0.547 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 173.3 | -69.3 | -177.8 | 165.1 | 0 | 0 | 111.4 | G1330 K1331 N1338 | G1330-E1334 PolarHBondContact O-N 2.86Å; K1331-E1334 PolarHBondContact O-N 3.14Å; E1334-N1338 WeakPolarHBondContact O-CB 3.38Å; E1334-N1338 VanDerWaalsContact O-CG 3.25Å; E1334-N1338 PolarHBondContact O-N 2.88Å; E1334-N1338 PolarHBondContact O-ND2 2.65Å |
| 1335 | E | 88 | Confident | 87 | Confident | 81 Ų | 81 | 40.3 Ų | 40.3 | 38% | 0.379 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.3 | -37.2 | 178.6 | -69 | -66.1 | 171.3 | 0 | 0 | 112.4 | L1234 K1331 L1332 N1338 T1339 | L1234-E1335 HydrophobicContact CD1-CB 3.66Å; K1331-E1335 WeakPolarHBondContact O-CG 3.4Å; K1331-E1335 PolarHBondContact O-N 3.27Å; K1331-E1335 VanDerWaalsContact O-N 3.11Å; L1332-E1335 PolarHBondContact O-N 3.49Å; E1335-N1338 WeakPolarHBondContact O-CB 3.39Å; E1335-N1338 PolarHBondContact O-N 2.68Å; E1335-T1339 WeakPolarHBondContact O-CB 3.46Å; E1335-T1339 PolarHBondContact O-N 3.49Å; E1335-T1339 PolarHBondContact O-OG1 2.83Å |
| 1336 | L | 86.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.9 | -42.9 | 178.9 | -161.8 | 76.3 | 0 | 0 | 0 | 111.4 | L1234 C1237 L1241 A1258 L1332 N1333 N1338 T1339 L1340 | L1234-L1336 HydrophobicContact CD1-CB 4.31Å; L1234-L1336 HydrophobicContact CD1-CD1 4.07Å; C1237-L1336 HydrophobicContact CB-CD1 3.48Å; C1237-L1336 VanDerWaalsContact CB-CD1 3.48Å; C1237-L1336 HydrophobicContact CB-CD2 4.16Å; C1237-L1336 HydrophobicContact CB-CG 4.5Å; L1241-L1336 HydrophobicContact CD1-CD1 4.45Å; L1241-L1336 HydrophobicContact CD1-CD2 3.97Å; L1241-L1336 HydrophobicContact CD1-CG 4.47Å; A1258-L1336 VanDerWaalsContact C-CD2 3.48Å; A1258-L1336 HydrophobicContact CB-CD2 3.62Å; A1258-L1336 HydrophobicContact CB-CG 4.37Å; A1258-L1336 WeakPolarHBondContact O-CD2 3.47Å; L1332-L1336 WeakPolarHBondContact O-CB 3.21Å; L1332-L1336 PolarHBondContact O-N 3.04Å; N1333-L1336 PolarHBondContact O-N 3.23Å; L1336-N1338 VanDerWaalsContact C-N 3.29Å; L1336-N1338 PolarHBondContact O-N 3.46Å; L1336-T1339 PolarHBondContact O-N 3.08Å; L1336-L1340 HydrophobicContact CD1-CD1 4.39Å; L1336-L1340 HydrophobicContact CG-CD1 3.97Å; L1336-L1340 WeakPolarHBondContact O-CB 2.94Å; L1336-L1340 PolarHBondContact O-N 3.15Å |
| 1337 | D | 88.2 | Confident | 86.8 | Confident | 22 Ų | 22 | 41.3 Ų | 41.3 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.5 | -34 | 174.2 | -80.7 | -16.4 | 0 | 0 | 0 | 111.9 | R1259 N1333 R1341 Y1344 | R1259-D1337 IonicContact CZ-OD2 3.62Å; R1259-D1337 IonicContact NE-OD1 3.65Å; R1259-D1337 IonicContact NE-OD2 2.75Å; R1259-D1337 PolarHBondContact NE-OD2 3.34Å; R1259-D1337 IonicContact NH2-OD2 3.16Å; R1259-D1337 PolarHBondContact NH2-OD2 3.47Å; N1333-D1337 WeakPolarHBondContact O-CB 3.45Å; N1333-D1337 PolarHBondContact O-N 3.42Å; D1337-R1341 PolarHBondContact O-N 3.39Å; D1337-Y1344 PolarHBondContact OD1-OH 3.02Å |
| 1338 | N | 88 | Confident | 86.6 | Confident | 74 Ų | 74 | 46.2 Ų | 46.2 | 40% | 0.396 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.8 | -46.4 | 172 | -74.8 | -31.6 | 0 | 0 | 0 | 111.9 | E1334 E1335 L1336 R1341 | E1334-N1338 WeakPolarHBondContact O-CB 3.38Å; E1334-N1338 VanDerWaalsContact O-CG 3.25Å; E1334-N1338 PolarHBondContact O-N 2.88Å; E1334-N1338 PolarHBondContact O-ND2 2.65Å; E1335-N1338 WeakPolarHBondContact O-CB 3.39Å; E1335-N1338 PolarHBondContact O-N 2.68Å; L1336-N1338 VanDerWaalsContact C-N 3.29Å; L1336-N1338 PolarHBondContact O-N 3.46Å; N1338-R1341 WeakPolarHBondContact O-CB 3.49Å; N1338-R1341 PolarHBondContact O-N 3.23Å; N1338-R1341 VanDerWaalsContact OD1-CZ 3.28Å; N1338-R1341 PolarHBondContact OD1-NH1 3.31Å; N1338-R1341 PolarHBondContact OD1-NH2 3.49Å |
| 1339 | T | 86.9 | Confident | 86 | Confident | 52 Ų | 52 | 49.7 Ų | 49.7 | 32% | 0.319 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.2 | -39.8 | -176.3 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | E1335 L1336 | E1335-T1339 WeakPolarHBondContact O-CB 3.46Å; E1335-T1339 PolarHBondContact O-N 3.49Å; E1335-T1339 PolarHBondContact O-OG1 2.83Å; L1336-T1339 PolarHBondContact O-N 3.08Å |
| 1340 | L | 88.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 5.7 | -178.5 | -66.2 | 173.4 | 0 | 0 | 0 | 114 | L1241 M1254 A1258 L1336 A1342 D1343 Y1344 | L1241-L1340 HydrophobicContact CD1-CD1 3.64Å; M1254-L1340 HydrophobicContact CE-CD1 4.39Å; M1254-L1340 HydrophobicContact CE-CD2 3.94Å; A1258-L1340 HydrophobicContact CB-CD1 3.84Å; L1336-L1340 HydrophobicContact CD1-CD1 4.39Å; L1336-L1340 HydrophobicContact CG-CD1 3.97Å; L1336-L1340 WeakPolarHBondContact O-CB 2.94Å; L1336-L1340 PolarHBondContact O-N 3.15Å; L1340-A1342 VanDerWaalsContact C-N 3.29Å; L1340-A1342 PolarHBondContact O-N 3.04Å; L1340-D1343 HydrophobicContact CB-CB 4.49Å; L1340-D1343 HydrophobicContact CD2-CB 4.33Å; L1340-D1343 WeakPolarHBondContact O-CB 3.34Å; L1340-D1343 PolarHBondContact O-N 3.32Å; L1340-Y1344 HydrophobicContact CB-CD1 4.47Å; L1340-Y1344 HydrophobicContact CB-CD2 4.5Å; L1340-Y1344 HydrophobicContact CB-CE1 3.85Å; L1340-Y1344 HydrophobicContact CB-CE2 3.9Å; L1340-Y1344 HydrophobicContact CD1-CE1 4.4Å; L1340-Y1344 WeakPolarHBondContact O-CD2 3.27Å; L1340-Y1344 VanDerWaalsContact O-CG 3.29Å; L1340-Y1344 PolarHBondContact O-N 3.08Å |
| 1341 | R | 88.7 | Confident | 85.3 | Confident | 126 Ų | 126 | 52.8 Ų | 52.8 | 48% | 0.475 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -55.8 | -42.8 | -177.8 | -175.2 | 170.5 | -71.3 | 120.4 | 2.2 | 112.7 | D1337 N1338 D1343 Y1344 E1345 | D1337-R1341 PolarHBondContact O-N 3.39Å; N1338-R1341 WeakPolarHBondContact O-CB 3.49Å; N1338-R1341 PolarHBondContact O-N 3.23Å; N1338-R1341 VanDerWaalsContact OD1-CZ 3.28Å; N1338-R1341 PolarHBondContact OD1-NH1 3.31Å; N1338-R1341 PolarHBondContact OD1-NH2 3.49Å; R1341-D1343 VanDerWaalsContact C-N 3.34Å; R1341-Y1344 PolarHBondContact O-N 2.91Å; R1341-E1345 PolarHBondContact O-N 3.26Å |
| 1342 | A | 83.9 | Confident | 84.7 | Confident | 58 Ų | 58 | 54.3 Ų | 54.3 | 48% | 0.479 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.9 | -37.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1340 E1345 S1346 | L1340-A1342 VanDerWaalsContact C-N 3.29Å; L1340-A1342 PolarHBondContact O-N 3.04Å; A1342-E1345 PolarHBondContact O-N 2.92Å; A1342-S1346 WeakPolarHBondContact O-CB 3.49Å; A1342-S1346 PolarHBondContact O-N 3.35Å; A1342-S1346 PolarHBondContact O-OG 3.11Å |
| 1343 | D | 84.4 | Confident | 84.3 | Confident | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 176.8 | -66.5 | -88.3 | 0 | 0 | 0 | 112 | R1242 M1254 L1340 R1341 R1347 | R1242-D1343 IonicContact CZ-OD1 3.91Å; R1242-D1343 IonicContact CZ-OD2 2.98Å; R1242-D1343 IonicContact NE-OD1 2.9Å; R1242-D1343 PolarHBondContact NE-OD1 3.25Å; R1242-D1343 IonicContact NE-OD2 2.99Å; R1242-D1343 PolarHBondContact NE-OD2 3.24Å; R1242-D1343 IonicContact NH2-OD1 2.69Å; R1242-D1343 PolarHBondContact NH2-OD1 3.32Å; R1242-D1343 IonicContact NH2-OD2 3.05Å; R1242-D1343 PolarHBondContact NH2-OD2 3.1Å; M1254-D1343 HydrophobicContact CE-CB 4.35Å; M1254-D1343 HydrophobicContact SD-CB 4.41Å; L1340-D1343 HydrophobicContact CB-CB 4.49Å; L1340-D1343 HydrophobicContact CD2-CB 4.33Å; L1340-D1343 WeakPolarHBondContact O-CB 3.34Å; L1340-D1343 PolarHBondContact O-N 3.32Å; R1341-D1343 VanDerWaalsContact C-N 3.34Å; D1343-R1347 WeakPolarHBondContact O-CG 3.39Å; D1343-R1347 PolarHBondContact O-N 3.38Å; D1343-R1347 PolarHBondContact O-NH1 2.9Å; D1343-R1347 VanDerWaalsContact O-NH1 3.14Å; D1343-R1347 IonicContact OD1-NH1 3.08Å |
| 1344 | Y | 90.2 | Very high | 83 | Confident | 25 Ų | 25 | 62.4 Ų | 62.4 | 10% | 0.098 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.5 | -44.9 | 175.5 | -57 | -30.8 | 0 | 0 | 0 | 111.6 | E1251 M1254 M1255 A1258 D1337 L1340 R1341 R1347 R1348 | E1251-Y1344 WeakPolarHBondContact CB-O 3.46Å; M1254-Y1344 HydrophobicContact CB-CE1 4.32Å; M1254-Y1344 HydrophobicContact CG-CE1 4.12Å; M1254-Y1344 HydrophobicContact SD-CD1 4.37Å; M1254-Y1344 HydrophobicContact SD-CE1 4.24Å; M1255-Y1344 HydrophobicContact CB-CD1 4.41Å; M1255-Y1344 HydrophobicContact CB-CE1 3.85Å; M1255-Y1344 HydrophobicContact CB-CE2 4.26Å; M1255-Y1344 HydrophobicContact CG-CE1 4.49Å; M1255-Y1344 HydrophobicContact CG-CE2 4.04Å; M1255-Y1344 HydrophobicContact SD-CE2 4.34Å; A1258-Y1344 WeakPolarHBondContact CB-OH 3.29Å; D1337-Y1344 PolarHBondContact OD1-OH 3.02Å; L1340-Y1344 HydrophobicContact CB-CD1 4.47Å; L1340-Y1344 HydrophobicContact CB-CD2 4.5Å; L1340-Y1344 HydrophobicContact CB-CE1 3.85Å; L1340-Y1344 HydrophobicContact CB-CE2 3.9Å; L1340-Y1344 HydrophobicContact CD1-CE1 4.4Å; L1340-Y1344 WeakPolarHBondContact O-CD2 3.27Å; L1340-Y1344 VanDerWaalsContact O-CG 3.29Å; L1340-Y1344 PolarHBondContact O-N 3.08Å; R1341-Y1344 PolarHBondContact O-N 2.91Å; Y1344-R1347 PolarHBondContact O-N 3.48Å; Y1344-R1348 WeakPolarHBondContact O-CB 3.32Å; Y1344-R1348 PolarHBondContact O-N 3.18Å |
| 1345 | E | 85.1 | Confident | 82.2 | Confident | 98 Ų | 98 | 62.6 Ų | 62.6 | 46% | 0.458 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 177.8 | -76.4 | -173.4 | 162.7 | 0 | 0 | 112 | R1341 A1342 R1347 R1348 I1349 | R1341-E1345 PolarHBondContact O-N 3.26Å; A1342-E1345 PolarHBondContact O-N 2.92Å; E1345-R1347 VanDerWaalsContact C-N 3.33Å; E1345-R1347 PolarHBondContact O-N 3.34Å; E1345-R1348 PolarHBondContact O-N 2.92Å; E1345-I1349 WeakPolarHBondContact O-CB 3.24Å; E1345-I1349 VanDerWaalsContact O-CG1 3.25Å; E1345-I1349 WeakPolarHBondContact O-CG1 3.47Å; E1345-I1349 PolarHBondContact O-N 3.33Å |
| 1346 | S | 80.7 | Confident | 80.7 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 39% | 0.385 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 179.2 | -57.2 | 0 | 0 | 0 | 0 | 112 | A1342 A1350 | A1342-S1346 WeakPolarHBondContact O-CB 3.49Å; A1342-S1346 PolarHBondContact O-N 3.35Å; A1342-S1346 PolarHBondContact O-OG 3.11Å; S1346-A1350 WeakPolarHBondContact O-CB 3.47Å; S1346-A1350 PolarHBondContact O-N 2.86Å |
| 1347 | R | 87.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 174.8 | -75.2 | 172.7 | 177.4 | 76.4 | -2.5 | 112 | Y1245 E1248 E1251 D1343 Y1344 E1345 I1349 A1350 R1351 F1357 D1359 | Y1245-R1347 PolarHBondContact O-NH2 3.37Å; E1248-R1347 VanDerWaalsContact O-CD 3.29Å; E1248-R1347 WeakPolarHBondContact O-CD 3.49Å; E1248-R1347 PolarHBondContact O-NE 3.42Å; E1251-R1347 HydrophobicContact CB-CB 4.07Å; D1343-R1347 WeakPolarHBondContact O-CG 3.39Å; D1343-R1347 PolarHBondContact O-N 3.38Å; D1343-R1347 PolarHBondContact O-NH1 2.9Å; D1343-R1347 VanDerWaalsContact O-NH1 3.14Å; D1343-R1347 IonicContact OD1-NH1 3.08Å; Y1344-R1347 PolarHBondContact O-N 3.48Å; E1345-R1347 VanDerWaalsContact C-N 3.33Å; E1345-R1347 PolarHBondContact O-N 3.34Å; R1347-I1349 VanDerWaalsContact C-N 3.33Å; R1347-I1349 PolarHBondContact O-N 3.38Å; R1347-A1350 PolarHBondContact O-N 3.43Å; R1347-R1351 WeakPolarHBondContact O-CB 3.17Å; R1347-R1351 PolarHBondContact O-N 3.46Å; R1347-F1357 HydrophobicContact CB-CD2 4.25Å; R1347-F1357 HydrophobicContact CB-CE2 4.29Å; R1347-F1357 HydrophobicContact CG-CD1 3.64Å; R1347-F1357 HydrophobicContact CG-CD2 3.69Å; R1347-F1357 HydrophobicContact CG-CE1 3.5Å; R1347-F1357 VanDerWaalsContact CG-CE1 3.5Å; R1347-F1357 HydrophobicContact CG-CE2 3.53Å; R1347-F1357 HydrophobicContact CG-CG 3.74Å; R1347-F1357 HydrophobicContact CG-CZ 3.43Å; R1347-F1357 VanDerWaalsContact CG-CZ 3.43Å; R1347-D1359 IonicContact NH2-OD2 2.75Å |
| 1348 | R | 81.8 | Confident | 78.1 | Confident | 143 Ų | 143 | 69.2 Ų | 69.2 | 54% | 0.54 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 176.4 | -167.1 | -176.6 | 72.5 | -179.6 | -2.4 | 111.9 | E1251 Y1344 E1345 S1352 | E1251-R1348 HydrophobicContact CG-CB 4.35Å; Y1344-R1348 WeakPolarHBondContact O-CB 3.32Å; Y1344-R1348 PolarHBondContact O-N 3.18Å; E1345-R1348 PolarHBondContact O-N 2.92Å; R1348-S1352 WeakPolarHBondContact O-CB 3.4Å; R1348-S1352 PolarHBondContact O-N 3.46Å; R1348-S1352 PolarHBondContact O-OG 2.91Å |
| 1349 | I | 78.8 | Confident | 76.7 | Confident | 73 Ų | 73 | 66.9 Ų | 66.9 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.1 | -53.3 | 177 | -69.3 | 164.6 | 0 | 0 | 0 | 110.2 | E1345 R1347 R1351 S1352 E1353 | E1345-I1349 WeakPolarHBondContact O-CB 3.24Å; E1345-I1349 VanDerWaalsContact O-CG1 3.25Å; E1345-I1349 WeakPolarHBondContact O-CG1 3.47Å; E1345-I1349 PolarHBondContact O-N 3.33Å; R1347-I1349 VanDerWaalsContact C-N 3.33Å; R1347-I1349 PolarHBondContact O-N 3.38Å; I1349-R1351 PolarHBondContact O-N 3.43Å; I1349-S1352 WeakPolarHBondContact CA-OG 3.4Å; I1349-S1352 PolarHBondContact O-N 3.02Å; I1349-S1352 PolarHBondContact O-OG 3.12Å; I1349-E1353 HydrophobicContact CG2-CG 4.37Å; I1349-E1353 WeakPolarHBondContact O-CG 3.47Å; I1349-E1353 PolarHBondContact O-N 2.86Å |
| 1350 | A | 75.6 | Confident | 75.1 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -55.8 | -41 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1346 R1347 E1353 G1354 R1355 F1357 | S1346-A1350 WeakPolarHBondContact O-CB 3.47Å; S1346-A1350 PolarHBondContact O-N 2.86Å; R1347-A1350 PolarHBondContact O-N 3.43Å; A1350-E1353 CarbonylContact O-C 3.56Å; A1350-E1353 PolarHBondContact O-N 2.95Å; A1350-G1354 PolarHBondContact O-N 2.93Å; A1350-G1354 VanDerWaalsContact O-N 3.11Å; A1350-R1355 HydrophobicContact CB-CG 3.87Å; A1350-R1355 WeakPolarHBondContact O-CG 3.43Å; A1350-R1355 PolarHBondContact O-N 2.96Å; A1350-R1355 VanDerWaalsContact O-O 3.13Å; A1350-F1357 HydrophobicContact CB-CB 3.93Å; A1350-F1357 HydrophobicContact CB-CD2 3.69Å; A1350-F1357 HydrophobicContact CB-CG 4.31Å |
| 1351 | R | 76.3 | Confident | 73.4 | Confident | 93 Ų | 93 | 74.5 Ų | 74.5 | 35% | 0.351 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 173.9 | 178.9 | -179 | -71 | -172.4 | -34.6 | 113.2 | S1249 N1250 E1251 R1347 I1349 E1353 G1354 | S1249-R1351 PolarHBondContact O-NE 3.21Å; N1250-R1351 VanDerWaalsContact CG-NH1 3.32Å; N1250-R1351 PolarHBondContact ND2-NH2 3.47Å; N1250-R1351 PolarHBondContact OD1-NH1 2.82Å; N1250-R1351 PolarHBondContact OD1-NH2 3.41Å; E1251-R1351 IonicContact OE1-NH1 3.06Å; E1251-R1351 IonicContact OE2-CZ 2.78Å; E1251-R1351 IonicContact OE2-NE 2.74Å; E1251-R1351 IonicContact OE2-NH1 3.56Å; E1251-R1351 PolarHBondContact OE2-NH1 2.82Å; R1347-R1351 WeakPolarHBondContact O-CB 3.17Å; R1347-R1351 PolarHBondContact O-N 3.46Å; I1349-R1351 PolarHBondContact O-N 3.43Å; R1351-E1353 PolarHBondContact O-N 3.47Å; R1351-G1354 PolarHBondContact O-N 3.31Å |
| 1352 | S | 75.1 | Confident | 71.1 | Confident | 98 Ų | 98 | 71 Ų | 71 | 69% | 0.685 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.9 | -28.5 | 177.3 | 71.4 | 0 | 0 | 0 | 0 | 112.5 | R1348 I1349 G1354 | R1348-S1352 WeakPolarHBondContact O-CB 3.4Å; R1348-S1352 PolarHBondContact O-N 3.46Å; R1348-S1352 PolarHBondContact O-OG 2.91Å; I1349-S1352 WeakPolarHBondContact CA-OG 3.4Å; I1349-S1352 PolarHBondContact O-N 3.02Å; I1349-S1352 PolarHBondContact O-OG 3.12Å; S1352-G1354 VanDerWaalsContact C-N 3.33Å |
| 1353 | E | 80.2 | Confident | 68.8 | Low | 119 Ų | 119 | 77.2 Ų | 77.2 | 56% | 0.556 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -7.4 | 174.6 | -68.1 | 173.1 | 164.9 | 0 | 0 | 112.9 | I1349 A1350 R1351 R1355 | I1349-E1353 HydrophobicContact CG2-CG 4.37Å; I1349-E1353 WeakPolarHBondContact O-CG 3.47Å; I1349-E1353 PolarHBondContact O-N 2.86Å; A1350-E1353 CarbonylContact O-C 3.56Å; A1350-E1353 PolarHBondContact O-N 2.95Å; R1351-E1353 PolarHBondContact O-N 3.47Å; E1353-R1355 HydrophobicContact CB-CG 4.17Å; E1353-R1355 PolarHBondContact O-N 3.46Å; E1353-R1355 WeakPolarHBondContact OE2-CD 3.07Å; E1353-R1355 IonicContact OE2-CZ 2.95Å; E1353-R1355 IonicContact OE2-NE 3.31Å; E1353-R1355 PolarHBondContact OE2-NE 3.4Å; E1353-R1355 IonicContact OE2-NH2 2.87Å |
| 1354 | G | 60.9 | Low | 66.3 | Low | 70 Ų | 70 | 81 Ų | 81 | 72% | 0.722 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 14.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1350 R1351 S1352 | A1350-G1354 PolarHBondContact O-N 2.93Å; A1350-G1354 VanDerWaalsContact O-N 3.11Å; R1351-G1354 PolarHBondContact O-N 3.31Å; S1352-G1354 VanDerWaalsContact C-N 3.33Å |
| 1355 | R | 70.8 | Confident | 63.5 | Low | 120 Ų | 120 | 85.5 Ų | 85.5 | 45% | 0.453 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 144.5 | 176.6 | 67.2 | 174.9 | 173.9 | 110.4 | -1.3 | 110.8 | A1350 E1353 F1357 | A1350-R1355 HydrophobicContact CB-CG 3.87Å; A1350-R1355 WeakPolarHBondContact O-CG 3.43Å; A1350-R1355 PolarHBondContact O-N 2.96Å; A1350-R1355 VanDerWaalsContact O-O 3.13Å; E1353-R1355 HydrophobicContact CB-CG 4.17Å; E1353-R1355 PolarHBondContact O-N 3.46Å; E1353-R1355 WeakPolarHBondContact OE2-CD 3.07Å; E1353-R1355 IonicContact OE2-CZ 2.95Å; E1353-R1355 IonicContact OE2-NE 3.31Å; E1353-R1355 PolarHBondContact OE2-NE 3.4Å; E1353-R1355 IonicContact OE2-NH2 2.87Å; R1355-F1357 PolarHBondContact O-N 2.89Å |
| 1356 | P | 56 | Low | 61 | Low | 122 Ų | 122 | 89.8 Ų | 89.8 | 79% | 0.792 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 131.9 | 170 | 22.2 | -29.3 | 0 | 0 | 0 | 109.8 | ||
| 1357 | F | 63 | Low | 58.6 | Low | 16 Ų | 16 | 95.4 Ų | 95.4 | 7% | 0.07 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 126.1 | 178.4 | 178.9 | -93.2 | 0 | 0 | 0 | 109.5 | R1347 A1350 R1355 D1359 | R1347-F1357 HydrophobicContact CB-CD2 4.25Å; R1347-F1357 HydrophobicContact CB-CE2 4.29Å; R1347-F1357 HydrophobicContact CG-CD1 3.64Å; R1347-F1357 HydrophobicContact CG-CD2 3.69Å; R1347-F1357 HydrophobicContact CG-CE1 3.5Å; R1347-F1357 VanDerWaalsContact CG-CE1 3.5Å; R1347-F1357 HydrophobicContact CG-CE2 3.53Å; R1347-F1357 HydrophobicContact CG-CG 3.74Å; R1347-F1357 HydrophobicContact CG-CZ 3.43Å; R1347-F1357 VanDerWaalsContact CG-CZ 3.43Å; A1350-F1357 HydrophobicContact CB-CB 3.93Å; A1350-F1357 HydrophobicContact CB-CD2 3.69Å; A1350-F1357 HydrophobicContact CB-CG 4.31Å; R1355-F1357 PolarHBondContact O-N 2.89Å; F1357-D1359 HydrophobicContact CE1-CB 4.1Å; F1357-D1359 HydrophobicContact CZ-CB 4.26Å |
| 1358 | L | 57.7 | Low | 55.9 | Low | 105 Ų | 105 | 103.1 Ų | 103.1 | 55% | 0.55 | 55% | 0.547 | S | S | . | . | trans | -135.6 | 121.8 | 170.8 | -167.2 | 77.7 | 0 | 0 | 0 | 107.5 | V1247 T1360 I1364 | V1247-L1358 HydrophobicContact CG1-CD1 3.88Å; L1358-T1360 PolarHBondContact O-N 3.08Å; L1358-I1364 HydrophobicContact CD1-CD1 4.43Å | ||
| 1359 | D | 57.8 | Low | 53.4 | Low | 25 Ų | 25 | 101.2 Ų | 101.2 | 13% | 0.134 | 55% | 0.55 | C | S | . | * | trans | -68.1 | 112.5 | 179.8 | -163.5 | -25.3 | 0 | 0 | 0 | 110.4 | A1246 R1347 F1357 G1361 V1362 | A1246-D1359 PolarHBondContact O-N 3.02Å; R1347-D1359 IonicContact NH2-OD2 2.75Å; F1357-D1359 HydrophobicContact CE1-CB 4.1Å; F1357-D1359 HydrophobicContact CZ-CB 4.26Å; D1359-G1361 PolarHBondContact O-N 3.21Å; D1359-G1361 VanDerWaalsContact O-N 3.16Å; D1359-G1361 PolarHBondContact OD1-N 3.16Å; D1359-V1362 HydrophobicContact CB-CG2 4.05Å; D1359-V1362 PolarHBondContact O-N 3.35Å | ||
| 1360 | T | 54.3 | Low | 51 | Low | 147 Ų | 147 | 100.7 Ų | 100.7 | 90% | 0.902 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -14.8 | -173 | 50.9 | 0 | 0 | 0 | 0 | 113.6 | L1358 | L1358-T1360 PolarHBondContact O-N 3.08Š|
| 1361 | G | 52.2 | Low | 48.8 | Very low | 65 Ų | 65 | 105.7 Ų | 105.7 | 67% | 0.67 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -15.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1359 Q1363 | D1359-G1361 PolarHBondContact O-N 3.21Å; D1359-G1361 VanDerWaalsContact O-N 3.16Å; D1359-G1361 PolarHBondContact OD1-N 3.16Å; G1361-Q1363 PolarHBondContact O-N 3.24Å |
| 1362 | V | 40.5 | Very low | 46.5 | Very low | 53 Ų | 53 | 106.7 Ų | 106.7 | 32% | 0.321 | 61% | 0.606 | S | S | . | * | trans | -93 | 107.2 | -177.3 | -168.5 | 0 | 0 | 0 | 0 | 108.6 | A1246 D1359 I1364 | A1246-V1362 HydrophobicContact CB-CG2 4.1Å; D1359-V1362 HydrophobicContact CB-CG2 4.05Å; D1359-V1362 PolarHBondContact O-N 3.35Å; V1362-I1364 HydrophobicContact CB-CD1 4.45Å; V1362-I1364 HydrophobicContact CB-CG1 3.97Å; V1362-I1364 HydrophobicContact CG1-CD1 4.1Å; V1362-I1364 HydrophobicContact CG1-CG1 3.39Å; V1362-I1364 PolarHBondContact O-N 3.48Å | ||
| 1363 | Q | 35.3 | Very low | 44.2 | Very low | 187 Ų | 187 | 108.6 Ų | 108.6 | 87% | 0.874 | 61% | 0.606 | S | S | * | * | trans | -67.9 | 75.1 | 166.1 | -71.2 | -175.4 | -1.1 | 0 | 0 | 109 | G1361 T1365 | G1361-Q1363 PolarHBondContact O-N 3.24Å; Q1363-T1365 VanDerWaalsContact C-N 3.29Å; Q1363-T1365 PolarHBondContact O-N 2.8Å | ||
| 1364 | I | 32 | Very low | 41.6 | Very low | 88 Ų | 88 | 109.5 Ų | 109.5 | 45% | 0.451 | 61% | 0.61 | S | S | . | * | trans | -74.2 | 93.1 | 170 | -53.2 | 179.1 | 0 | 0 | 0 | 105.5 | A1246 L1358 V1362 E1366 | A1246-I1364 HydrophobicContact CB-CD1 4.23Å; L1358-I1364 HydrophobicContact CD1-CD1 4.43Å; V1362-I1364 HydrophobicContact CB-CD1 4.45Å; V1362-I1364 HydrophobicContact CB-CG1 3.97Å; V1362-I1364 HydrophobicContact CG1-CD1 4.1Å; V1362-I1364 HydrophobicContact CG1-CG1 3.39Å; V1362-I1364 PolarHBondContact O-N 3.48Å; I1364-E1366 PolarHBondContact O-N 3.03Å | ||
| 1365 | T | 32.2 | Very low | 39.9 | Very low | 119 Ų | 119 | 113.6 Ų | 113.6 | 73% | 0.73 | 61% | 0.612 | S | S | * | * | trans | -51.4 | 110.6 | 167 | 41.9 | 0 | 0 | 0 | 0 | 107.9 | Q1363 Y1367 | Q1363-T1365 VanDerWaalsContact C-N 3.29Å; Q1363-T1365 PolarHBondContact O-N 2.8Å; T1365-Y1367 PolarHBondContact O-N 2.93Å | ||
| 1366 | E | 31.7 | Very low | 37.8 | Very low | 187 Ų | 187 | 112.4 Ų | 112.4 | 87% | 0.874 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -71.8 | 32.7 | -168 | -136.6 | 176.6 | -161.8 | 0 | 0 | 114 | I1364 | I1364-E1366 PolarHBondContact O-N 3.03Š|
| 1367 | Y | 31.2 | Very low | 36.5 | Very low | 173 Ų | 173 | 111.1 Ų | 111.1 | 68% | 0.678 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -115.4 | 102.7 | 174.6 | -76.4 | -76.2 | 0 | 0 | 0 | 111.3 | T1365 | T1365-Y1367 PolarHBondContact O-N 2.93Š|
| 1368 | H | 31 | Very low | 34.9 | Very low | 163 Ų | 163 | 116.9 Ų | 116.9 | 76% | 0.755 | 65% | 0.645 | S | S | * | * | trans | 74.5 | 81.5 | 151.7 | -63.5 | -63.9 | 0 | 0 | 0 | 118.7 | P1370 | H1368-P1370 WeakPolarHBondContact O-CD 3.49Š| ||
| 1369 | V | 28.6 | Very low | 33.4 | Very low | 102 Ų | 102 | 116.1 Ų | 116.1 | 62% | 0.618 | 64% | 0.641 | S | S | * | * | trans | -81.1 | 116 | 140.4 | -176.8 | 0 | 0 | 0 | 0 | 107.2 | M1373 | V1369-M1373 HydrophobicContact CG1-CB 3.58Š| ||
| 1370 | P | 27.7 | Very low | 31.9 | Very low | 63 Ų | 63 | 122.7 Ų | 122.7 | 41% | 0.409 | 67% | 0.671 | S | S | . | * | trans | -65 | 147.5 | -179.1 | -20.3 | 32.6 | 0 | 0 | 0 | 111.4 | H1368 S1372 M1373 | H1368-P1370 WeakPolarHBondContact O-CD 3.49Å; P1370-S1372 PolarHBondContact O-N 3.22Å; P1370-M1373 PolarHBondContact O-N 2.97Å | ||
| 1371 | P | 29.9 | Very low | 30.7 | Very low | 105 Ų | 105 | 121.3 Ų | 121.3 | 68% | 0.682 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -17.6 | -175.3 | -25.7 | 32.5 | 0 | 0 | 0 | 115.8 | M1373 E1374 | P1371-M1373 VanDerWaalsContact C-N 3.31Å; P1371-E1374 PolarHBondContact O-N 2.87Å |
| 1372 | S | 28.6 | Very low | 29.6 | Very low | 114 Ų | 114 | 121.9 Ų | 121.9 | 80% | 0.797 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -13.7 | 174.2 | 44.6 | 0 | 0 | 0 | 0 | 114.1 | P1370 | P1370-S1372 PolarHBondContact O-N 3.22Š|
| 1373 | M | 27.4 | Very low | 29 | Very low | 138 Ų | 138 | 123.8 Ų | 123.8 | 68% | 0.68 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -101.6 | 0 | 171.6 | -79.6 | -179.3 | 163.5 | 0 | 0 | 112.3 | V1369 P1370 P1371 M1375 | V1369-M1373 HydrophobicContact CG1-CB 3.58Å; P1370-M1373 PolarHBondContact O-N 2.97Å; P1371-M1373 VanDerWaalsContact C-N 3.31Å; M1373-M1375 PolarHBondContact O-N 3.35Å; M1373-M1375 VanDerWaalsContact O-N 3.08Å |
| 1374 | E | 25.4 | Very low | 28.5 | Very low | 137 Ų | 137 | 118 Ų | 118 | 64% | 0.64 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -70.4 | 102.1 | 163.6 | -72.3 | -176.7 | 167.9 | 0 | 0 | 107.9 | P1371 P1376 | P1371-E1374 PolarHBondContact O-N 2.87Å; E1374-P1376 VanDerWaalsContact O-CD 3.27Å; E1374-P1376 WeakPolarHBondContact O-CD 3.33Å; E1374-P1376 VanDerWaalsContact O-N 3.1Å |
| 1375 | M | 25.1 | Very low | 28.3 | Very low | 157 Ų | 157 | 120.5 Ų | 120.5 | 77% | 0.773 | 66% | 0.661 | S | S | * | * | trans | -52.4 | 116 | 176.6 | -79.2 | -86.7 | -90.3 | 0 | 0 | 109.4 | M1373 S1377 L1379 | M1373-M1375 PolarHBondContact O-N 3.35Å; M1373-M1375 VanDerWaalsContact O-N 3.08Å; M1375-S1377 PolarHBondContact O-N 3.02Å; M1375-L1379 HydrophobicContact CE-CD1 4.09Å; M1375-L1379 HydrophobicContact SD-CD1 3.92Å | ||
| 1376 | P | 27 | Very low | 28.3 | Very low | 94 Ų | 94 | 119.8 Ų | 119.8 | 61% | 0.61 | 66% | 0.661 | S | S | * | * | trans | -61.3 | 129.3 | 179.5 | -19.1 | 30.2 | 0 | 0 | 0 | 109.3 | E1374 N1378 | E1374-P1376 VanDerWaalsContact O-CD 3.27Å; E1374-P1376 WeakPolarHBondContact O-CD 3.33Å; E1374-P1376 VanDerWaalsContact O-N 3.1Å; P1376-N1378 PolarHBondContact O-N 3.04Å | ||
| 1377 | S | 28.8 | Very low | 28.1 | Very low | 96 Ų | 96 | 115 Ų | 115 | 67% | 0.671 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 4.2 | -173.5 | 55.1 | 0 | 0 | 0 | 0 | 116 | M1375 | M1375-S1377 PolarHBondContact O-N 3.02Š|
| 1378 | N | 27.9 | Very low | 28.1 | Very low | 136 Ų | 136 | 111.1 Ų | 111.1 | 73% | 0.727 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.2 | 30.7 | -167.3 | -55.9 | 7.2 | 0 | 0 | 0 | 112.9 | P1376 Q1380 | P1376-N1378 PolarHBondContact O-N 3.04Å; N1378-Q1380 PolarHBondContact O-N 3.46Å |
| 1379 | L | 27.2 | Very low | 28.2 | Very low | 89 Ų | 89 | 108.3 Ų | 108.3 | 47% | 0.466 | 62% | 0.623 | S | S | . | * | trans | -67.7 | 113.3 | 177.1 | -90 | 140.3 | 0 | 0 | 0 | 110.9 | M1375 D1383 | M1375-L1379 HydrophobicContact CE-CD1 4.09Å; M1375-L1379 HydrophobicContact SD-CD1 3.92Å; L1379-D1383 HydrophobicContact CD2-CB 3.57Å | ||
| 1380 | Q | 27.1 | Very low | 28.4 | Very low | 163 Ų | 163 | 104.6 Ų | 104.6 | 76% | 0.762 | 60% | 0.603 | S | S | * | * | trans | -69.9 | 149.6 | 170.2 | -68.2 | -176.2 | -2.2 | 0 | 0 | 109.8 | N1378 A1382 D1383 | N1378-Q1380 PolarHBondContact O-N 3.46Å; Q1380-A1382 PolarHBondContact O-N 3.11Å; Q1380-D1383 PolarHBondContact O-N 3.18Å | ||
| 1381 | S | 29.1 | Very low | 28.7 | Very low | 118 Ų | 118 | 102.7 Ų | 102.7 | 83% | 0.825 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -1.1 | -168.1 | 46.1 | 0 | 0 | 0 | 0 | 117.2 | ||
| 1382 | A | 28.9 | Very low | 29.3 | Very low | 77 Ų | 77 | 103.7 Ų | 103.7 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -19.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q1380 | Q1380-A1382 PolarHBondContact O-N 3.11Š|
| 1383 | D | 26.1 | Very low | 30.1 | Very low | 93 Ų | 93 | 99 Ų | 99 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | trans | -93.7 | 12.7 | -173 | -82.2 | -47.4 | 0 | 0 | 0 | 114.8 | K987 L1379 Q1380 H1385 | K987-D1383 IonicContact NZ-OD1 3.53Å; L1379-D1383 HydrophobicContact CD2-CB 3.57Å; Q1380-D1383 PolarHBondContact O-N 3.18Å; D1383-H1385 VanDerWaalsContact C-N 3.28Å; D1383-H1385 PolarHBondContact O-N 3.44Å; D1383-H1385 VanDerWaalsContact O-N 3.12Å | ||
| 1384 | V | 26.4 | Very low | 30.8 | Very low | 66 Ų | 66 | 95.6 Ų | 95.6 | 40% | 0.4 | 55% | 0.547 | S | S | . | . | trans | -89.6 | 52.5 | -179.2 | -168.1 | 0 | 0 | 0 | 0 | 111.3 | F1387 | V1384-F1387 HydrophobicContact CG1-CB 4.22Å; V1384-F1387 HydrophobicContact CG1-CD2 3.29Å; V1384-F1387 HydrophobicContact CG1-CE2 3.93Å; V1384-F1387 HydrophobicContact CG1-CG 4.03Å | ||
| 1385 | H | 28 | Very low | 31.7 | Very low | 141 Ų | 141 | 89.3 Ų | 89.3 | 65% | 0.653 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -77.4 | -16.7 | -176.4 | -92.1 | -58.7 | 0 | 0 | 0 | 114.9 | D1383 F1387 | D1383-H1385 VanDerWaalsContact C-N 3.28Å; D1383-H1385 PolarHBondContact O-N 3.44Å; D1383-H1385 VanDerWaalsContact O-N 3.12Å; H1385-F1387 PolarHBondContact O-N 3.34Å |
| 1386 | S | 31.8 | Very low | 32.7 | Very low | 103 Ų | 103 | 83.2 Ų | 83.2 | 72% | 0.72 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -74.4 | -5.7 | 177.9 | 62.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1387 | F | 27.2 | Very low | 33.3 | Very low | 86 Ų | 86 | 86 Ų | 86 | 38% | 0.377 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -90.4 | -10.6 | 178 | -87.1 | -93.9 | 0 | 0 | 0 | 114.1 | V1384 H1385 | V1384-F1387 HydrophobicContact CG1-CB 4.22Å; V1384-F1387 HydrophobicContact CG1-CD2 3.29Å; V1384-F1387 HydrophobicContact CG1-CE2 3.93Å; V1384-F1387 HydrophobicContact CG1-CG 4.03Å; H1385-F1387 PolarHBondContact O-N 3.34Å |
| 1388 | N | 30.6 | Very low | 33.7 | Very low | 93 Ų | 93 | 85.2 Ų | 85.2 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -85.6 | -15.1 | -172.5 | -77.4 | -5.2 | 0 | 0 | 0 | 115.1 | A1390 A1391 | N1388-A1390 PolarHBondContact O-N 2.83Å; N1388-A1391 WeakPolarHBondContact O-CB 3.17Å; N1388-A1391 PolarHBondContact O-N 3.29Å |
| 1389 | T | 33.4 | Very low | 34 | Very low | 104 Ų | 104 | 81.9 Ų | 81.9 | 64% | 0.638 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -67.8 | -16.4 | 176.5 | 36.2 | 0 | 0 | 0 | 0 | 113.4 | A1391 | T1389-A1391 PolarHBondContact O-N 2.87Š|
| 1390 | A | 32.5 | Very low | 34.4 | Very low | 24 Ų | 24 | 81.8 Ų | 81.8 | 20% | 0.198 | 47% | 0.47 | C | S | . | . | G | 310 helix | trans | -73.3 | -13.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1264 N1388 | V1264-A1390 HydrophobicContact CG2-CB 3.93Å; N1388-A1390 PolarHBondContact O-N 2.83Å |
| 1391 | A | 35 | Very low | 34.6 | Very low | 23 Ų | 23 | 78.3 Ų | 78.3 | 19% | 0.19 | 47% | 0.469 | C | S | . | . | G | 310 helix | trans | -74.3 | -24.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1388 T1389 V1398 | N1388-A1391 WeakPolarHBondContact O-CB 3.17Å; N1388-A1391 PolarHBondContact O-N 3.29Å; T1389-A1391 PolarHBondContact O-N 2.87Å; A1391-V1398 HydrophobicContact CB-CB 4.35Å; A1391-V1398 HydrophobicContact CB-CG1 3.79Å; A1391-V1398 HydrophobicContact CB-CG2 3.84Å |
| 1392 | D | 41.8 | Very low | 34.7 | Very low | 126 Ų | 126 | 81.8 Ų | 81.8 | 67% | 0.674 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -98.8 | 4.2 | -171.7 | -62 | -37 | 0 | 0 | 0 | 113.4 | P1394 | D1392-P1394 VanDerWaalsContact O-CD 3.23Å; D1392-P1394 WeakPolarHBondContact O-CD 3.3Å |
| 1393 | V | 45.2 | Very low | 35 | Very low | 15 Ų | 15 | 83.3 Ų | 83.3 | 9% | 0.091 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -74.3 | 116 | 176.7 | -176 | 0 | 0 | 0 | 0 | 109.5 | V1264 A1267 M1325 G1395 F1396 | V1264-V1393 HydrophobicContact CB-CG2 4.44Å; V1264-V1393 HydrophobicContact CG1-CG2 4.46Å; V1264-V1393 HydrophobicContact CG2-CG2 3.94Å; A1267-V1393 HydrophobicContact CB-CG1 3.44Å; A1267-V1393 VanDerWaalsContact CB-CG1 3.44Å; M1325-V1393 HydrophobicContact CE-CG1 4.31Å; V1393-G1395 PolarHBondContact O-N 3.44Å; V1393-F1396 HydrophobicContact CG1-CD2 4.04Å; V1393-F1396 HydrophobicContact CG1-CE2 4.48Å; V1393-F1396 PolarHBondContact O-N 2.87Å |
| 1394 | P | 41.4 | Very low | 35.1 | Very low | 67 Ų | 67 | 84.4 Ų | 84.4 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 127.5 | -179.7 | -24.3 | 34.3 | 0 | 0 | 0 | 111.8 | D1392 | D1392-P1394 VanDerWaalsContact O-CD 3.23Å; D1392-P1394 WeakPolarHBondContact O-CD 3.3Å |
| 1395 | G | 45.2 | Very low | 35.4 | Very low | 4 Ų | 4 | 87.1 Ų | 87.1 | 4% | 0.041 | 49% | 0.49 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | 8.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | R1326 V1393 | R1326-G1395 PolarHBondContact NH1-O 3.45Å; V1393-G1395 PolarHBondContact O-N 3.44Å |
| 1396 | F | 45.2 | Very low | 35.4 | Very low | 30 Ų | 30 | 88.4 Ų | 88.4 | 13% | 0.132 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -129.9 | 145.2 | 176.7 | -69.3 | -83.7 | 0 | 0 | 0 | 112.6 | R1263 R1326 A1329 V1393 | R1263-F1396 HydrophobicContact CG-CE1 4.5Å; R1326-F1396 HydrophobicContact CB-CE2 4.33Å; R1326-F1396 HydrophobicContact CB-CZ 4.14Å; R1326-F1396 HydrophobicContact CG-CE1 4.11Å; R1326-F1396 HydrophobicContact CG-CE2 4.27Å; R1326-F1396 HydrophobicContact CG-CZ 3.73Å; A1329-F1396 HydrophobicContact CB-CE2 4.03Å; A1329-F1396 HydrophobicContact CB-CZ 3.67Å; V1393-F1396 HydrophobicContact CG1-CD2 4.04Å; V1393-F1396 HydrophobicContact CG1-CE2 4.48Å; V1393-F1396 PolarHBondContact O-N 2.87Å |
| 1397 | K | 39.9 | Very low | 35.2 | Very low | 153 Ų | 153 | 89.2 Ų | 89.2 | 67% | 0.665 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -82.2 | 138.6 | 179.8 | -170.8 | -179.9 | 178.3 | -177 | 0 | 111.5 | D1177 | D1177-K1397 HydrophobicContact CB-CB 4.22Š|
| 1398 | V | 38.9 | Very low | 34.9 | Very low | 78 Ų | 78 | 94.5 Ų | 94.5 | 47% | 0.473 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 124 | 175.5 | -172.9 | 0 | 0 | 0 | 0 | 110.9 | A1391 | A1391-V1398 HydrophobicContact CB-CB 4.35Å; A1391-V1398 HydrophobicContact CB-CG1 3.79Å; A1391-V1398 HydrophobicContact CB-CG2 3.84Å |
| 1399 | P | 32.9 | Very low | 34.7 | Very low | 66 Ų | 66 | 97.3 Ų | 97.3 | 43% | 0.429 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 135.5 | 178.7 | -18.9 | 31.2 | 0 | 0 | 0 | 112.7 | ||
| 1400 | T | 35.3 | Very low | 34.7 | Very low | 87 Ų | 87 | 98.2 Ų | 98.2 | 53% | 0.534 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -87.5 | 151.8 | -179.6 | 44 | 0 | 0 | 0 | 0 | 113.2 | E1402 E1403 | T1400-E1402 PolarHBondContact O-N 3.13Å; T1400-E1402 VanDerWaalsContact O-N 3.12Å; T1400-E1403 PolarHBondContact O-N 3.14Å |
| 1401 | A | 32.6 | Very low | 34.2 | Very low | 90 Ų | 90 | 106.1 Ų | 106.1 | 74% | 0.744 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -61.3 | -19.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | E1403 | A1401-E1403 PolarHBondContact O-N 2.84Š|
| 1402 | E | 31.6 | Very low | 33.8 | Very low | 191 Ų | 191 | 110.9 Ų | 110.9 | 89% | 0.893 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -68.4 | -14.8 | 178.4 | -70.1 | -175 | 159.3 | 0 | 0 | 113.5 | T1400 L1404 | T1400-E1402 PolarHBondContact O-N 3.13Å; T1400-E1402 VanDerWaalsContact O-N 3.12Å; E1402-L1404 VanDerWaalsContact C-N 3.32Å; E1402-L1404 PolarHBondContact O-N 2.88Å |
| 1403 | E | 33.2 | Very low | 33.2 | Very low | 109 Ų | 109 | 111.7 Ų | 111.7 | 51% | 0.509 | 62% | 0.619 | S | S | . | * | G | 310 helix | trans | -85.9 | 16 | -178.3 | -60.4 | -170.8 | 169.2 | 0 | 0 | 115.5 | K1256 T1400 A1401 | K1256-E1403 PolarHBondContact NZ-O 3.02Å; K1256-E1403 VanDerWaalsContact NZ-O 3.07Å; K1256-E1403 IonicContact NZ-OE2 2.99Å; K1256-E1403 PolarHBondContact NZ-OE2 3.29Å; T1400-E1403 PolarHBondContact O-N 3.14Å; A1401-E1403 PolarHBondContact O-N 2.84Å |
| 1404 | L | 29.3 | Very low | 32.2 | Very low | 116 Ų | 116 | 118.5 Ų | 118.5 | 61% | 0.607 | 65% | 0.653 | S | S | * | * | trans | -119.6 | 104.4 | 178.7 | -79.9 | 114.8 | 0 | 0 | 0 | 112.3 | E1402 | E1402-L1404 VanDerWaalsContact C-N 3.32Å; E1402-L1404 PolarHBondContact O-N 2.88Å | ||
| 1405 | P | 33.1 | Very low | 31.5 | Very low | 123 Ų | 123 | 119.7 Ų | 119.7 | 80% | 0.799 | 67% | 0.669 | S | S | * | * | trans | -91.4 | 135.3 | -178.8 | 13.9 | 1.4 | 0 | 0 | 0 | 114.6 | ||||
| 1406 | N | 27.5 | Very low | 30.6 | Very low | 169 Ų | 169 | 123.3 Ų | 123.3 | 90% | 0.904 | 69% | 0.693 | S | S | * | * | trans | -63.4 | 127.5 | 176.2 | -78.9 | -38.8 | 0 | 0 | 0 | 114.2 | ||||
| 1407 | V | 26.7 | Very low | 30 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | -136.4 | 123.7 | 169.3 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | L1409 | V1407-L1409 HydrophobicContact CG1-CD1 4.22Š| ||
| 1408 | Q | 22.7 | Very low | 29.4 | Very low | 196 Ų | 196 | 126.9 Ų | 126.9 | 92% | 0.916 | 72% | 0.719 | S | S | * | * | trans | -97.1 | 137.9 | 175.5 | -72.4 | 174.6 | -15.7 | 0 | 0 | 110.7 | ||||
| 1409 | L | 24.6 | Very low | 29.1 | Very low | 153 Ų | 153 | 130 Ų | 130 | 80% | 0.801 | 73% | 0.728 | S | S | * | * | trans | -126.1 | 141.9 | -179.4 | -96.6 | 115.2 | 0 | 0 | 0 | 113.4 | V1407 | V1407-L1409 HydrophobicContact CG1-CD1 4.22Š| ||
| 1410 | P | 33.6 | Very low | 29.2 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | trans | -97.6 | 158.3 | -178.6 | 37 | -32.1 | 0 | 0 | 0 | 114.9 | ||||
| 1411 | K | 21.8 | Very low | 29 | Very low | 191 Ų | 191 | 132.4 Ų | 132.4 | 83% | 0.83 | 74% | 0.735 | S | S | * | * | trans | -100.6 | 140.5 | -169 | -64.9 | 176.3 | 176.3 | 179.7 | 0 | 114.3 | ||||
| 1412 | P | 27.5 | Very low | 29.1 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | trans | -122.9 | 160 | 163.9 | 33.6 | -17.6 | 0 | 0 | 0 | 114.8 | ||||
| 1413 | T | 28.8 | Very low | 29.6 | Very low | 143 Ų | 143 | 128.9 Ų | 128.9 | 88% | 0.877 | 71% | 0.71 | S | S | * | * | trans | -99.2 | 146.2 | -160.2 | 12.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1414 | I | 25.3 | Very low | 29.9 | Very low | 157 Ų | 157 | 129.1 Ų | 129.1 | 81% | 0.805 | 71% | 0.714 | S | S | * | * | trans | -88.6 | 102.5 | -175.3 | -61.1 | 160.4 | 0 | 0 | 0 | 109.9 | ||||
| 1415 | A | 25.3 | Very low | 30.1 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | trans | -150.4 | -6.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1416 | S | 28.1 | Very low | 30.4 | Very low | 79 Ų | 79 | 129 Ų | 129 | 55% | 0.552 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -93.2 | -3.7 | -176.5 | 55.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1417 | V | 32.4 | Very low | 31.2 | Very low | 97 Ų | 97 | 123.2 Ų | 123.2 | 59% | 0.588 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -84.3 | -32.5 | -170.5 | -178.2 | 0 | 0 | 0 | 0 | 113 | E1419 H1420 S1421 | V1417-E1419 VanDerWaalsContact C-N 3.35Å; V1417-E1419 PolarHBondContact O-N 3.45Å; V1417-H1420 PolarHBondContact O-N 3.31Å; V1417-S1421 PolarHBondContact O-N 3.31Å; V1417-S1421 PolarHBondContact O-OG 3.31Å |
| 1418 | E | 26.9 | Very low | 31.8 | Very low | 162 Ų | 162 | 122 Ų | 122 | 76% | 0.757 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.1 | -27.7 | 177.9 | -77.2 | -174.5 | 154 | 0 | 0 | 112.9 | S1421 N1422 | E1418-S1421 PolarHBondContact O-OG 3.05Å; E1418-N1422 PolarHBondContact O-ND2 3.3Å |
| 1419 | E | 31.6 | Very low | 32.8 | Very low | 142 Ų | 142 | 115 Ų | 115 | 66% | 0.664 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -77.6 | -32.1 | 176.8 | -159.1 | 174.2 | -174.1 | 0 | 0 | 111.6 | V1417 N1423 | V1417-E1419 VanDerWaalsContact C-N 3.35Å; V1417-E1419 PolarHBondContact O-N 3.45Å; E1419-N1423 VanDerWaalsContact O-CG 3.28Å; E1419-N1423 PolarHBondContact O-N 2.64Å; E1419-N1423 PolarHBondContact O-ND2 2.91Å |
| 1420 | H | 36.1 | Very low | 34 | Very low | 142 Ų | 142 | 115.5 Ų | 115.5 | 66% | 0.657 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.7 | -35.9 | 178.5 | -100.6 | 76.9 | 0 | 0 | 0 | 113.6 | V1417 N1423 L1424 | V1417-H1420 PolarHBondContact O-N 3.31Å; H1420-N1423 PolarHBondContact O-N 3.44Å; H1420-L1424 PolarHBondContact O-N 3.27Å; H1420-L1424 VanDerWaalsContact O-N 3.07Å |
| 1421 | S | 31.2 | Very low | 34.4 | Very low | 63 Ų | 63 | 115.8 Ų | 115.8 | 44% | 0.441 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -71 | -39.3 | -177.2 | 31 | 0 | 0 | 0 | 0 | 112.2 | V1417 E1418 L1424 L1425 | V1417-S1421 PolarHBondContact O-N 3.31Å; V1417-S1421 PolarHBondContact O-OG 3.31Å; E1418-S1421 PolarHBondContact O-OG 3.05Å; S1421-L1424 PolarHBondContact O-N 2.93Å; S1421-L1425 PolarHBondContact O-N 3.13Å |
| 1422 | N | 34.7 | Very low | 35.4 | Very low | 112 Ų | 112 | 109.6 Ų | 109.6 | 60% | 0.599 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.9 | -35.2 | 173.5 | -76.1 | -38 | 0 | 0 | 0 | 112.8 | E1418 H1426 | E1418-N1422 PolarHBondContact O-ND2 3.3Å; N1422-H1426 PolarHBondContact O-N 2.96Å |
| 1423 | N | 41.8 | Very low | 36.4 | Very low | 95 Ų | 95 | 107.2 Ų | 107.2 | 51% | 0.508 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.5 | -33.3 | 176.9 | -74.8 | -29.7 | 0 | 0 | 0 | 112.7 | E1419 H1420 S1427 | E1419-N1423 VanDerWaalsContact O-CG 3.28Å; E1419-N1423 PolarHBondContact O-N 2.64Å; E1419-N1423 PolarHBondContact O-ND2 2.91Å; H1420-N1423 PolarHBondContact O-N 3.44Å; N1423-S1427 WeakPolarHBondContact O-CB 3.49Å; N1423-S1427 PolarHBondContact O-N 3.42Å; N1423-S1427 VanDerWaalsContact O-N 3.1Å |
| 1424 | L | 38.2 | Very low | 37.5 | Very low | 113 Ų | 113 | 104.9 Ų | 104.9 | 59% | 0.592 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.1 | -40.7 | 177.4 | -167.5 | 71.8 | 0 | 0 | 0 | 111.7 | H1420 S1421 S1427 I1428 | H1420-L1424 PolarHBondContact O-N 3.27Å; H1420-L1424 VanDerWaalsContact O-N 3.07Å; S1421-L1424 PolarHBondContact O-N 2.93Å; L1424-S1427 WeakPolarHBondContact O-CB 3.37Å; L1424-S1427 PolarHBondContact O-N 2.97Å; L1424-I1428 HydrophobicContact CG-CD1 4.44Å; L1424-I1428 WeakPolarHBondContact O-CG1 3.35Å; L1424-I1428 PolarHBondContact O-N 3.43Å; L1424-I1428 VanDerWaalsContact O-N 3.08Å |
| 1425 | L | 34.6 | Very low | 38.3 | Very low | 107 Ų | 107 | 103.1 Ų | 103.1 | 56% | 0.56 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63 | -45.9 | 179.1 | -134.1 | 100.4 | 0 | 0 | 0 | 111.4 | S1421 S1427 I1428 T1429 | S1421-L1425 PolarHBondContact O-N 3.13Å; L1425-S1427 VanDerWaalsContact C-N 3.28Å; L1425-S1427 PolarHBondContact O-N 2.85Å; L1425-I1428 PolarHBondContact O-N 3.42Å; L1425-T1429 PolarHBondContact O-N 2.89Å; L1425-T1429 PolarHBondContact O-OG1 3.38Å |
| 1426 | H | 40.1 | Very low | 39 | Very low | 131 Ų | 131 | 101.4 Ų | 101.4 | 61% | 0.606 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.3 | -32.4 | 174.5 | -82.5 | -53.5 | 0 | 0 | 0 | 113.1 | N1422 R1430 | N1422-H1426 PolarHBondContact O-N 2.96Å; H1426-R1430 VanDerWaalsContact O-CB 3.29Å; H1426-R1430 WeakPolarHBondContact O-CB 3.47Å; H1426-R1430 PolarHBondContact O-N 2.94Å; H1426-R1430 VanDerWaalsContact O-N 3.07Å |
| 1427 | S | 44.1 | Very low | 39.9 | Very low | 46 Ų | 46 | 104.9 Ų | 104.9 | 32% | 0.322 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 176.9 | -172.3 | 0 | 0 | 0 | 0 | 112.3 | N1423 L1424 L1425 K1431 | N1423-S1427 WeakPolarHBondContact O-CB 3.49Å; N1423-S1427 PolarHBondContact O-N 3.42Å; N1423-S1427 VanDerWaalsContact O-N 3.1Å; L1424-S1427 WeakPolarHBondContact O-CB 3.37Å; L1424-S1427 PolarHBondContact O-N 2.97Å; L1425-S1427 VanDerWaalsContact C-N 3.28Å; L1425-S1427 PolarHBondContact O-N 2.85Å; S1427-K1431 WeakPolarHBondContact O-CG 3.5Å; S1427-K1431 PolarHBondContact O-N 3.3Å |
| 1428 | I | 38.8 | Very low | 40.4 | Very low | 94 Ų | 94 | 107.8 Ų | 107.8 | 48% | 0.482 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.4 | -48.4 | 178.5 | -66.2 | 168.3 | 0 | 0 | 0 | 110.4 | L1424 L1425 R1430 K1431 V1432 | L1424-I1428 HydrophobicContact CG-CD1 4.44Å; L1424-I1428 WeakPolarHBondContact O-CG1 3.35Å; L1424-I1428 PolarHBondContact O-N 3.43Å; L1424-I1428 VanDerWaalsContact O-N 3.08Å; L1425-I1428 PolarHBondContact O-N 3.42Å; I1428-R1430 VanDerWaalsContact C-N 3.27Å; I1428-R1430 PolarHBondContact O-N 2.84Å; I1428-K1431 PolarHBondContact O-N 3.37Å; I1428-K1431 VanDerWaalsContact O-N 3.14Å; I1428-V1432 WeakPolarHBondContact O-CG2 3.37Å; I1428-V1432 PolarHBondContact O-N 2.99Å |
| 1429 | T | 42.5 | Very low | 41.1 | Very low | 50 Ų | 50 | 107.3 Ų | 107.3 | 31% | 0.307 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -56.7 | -44.1 | 176.6 | -51.6 | 0 | 0 | 0 | 0 | 111.2 | L1425 K1431 V1432 D1433 | L1425-T1429 PolarHBondContact O-N 2.89Å; L1425-T1429 PolarHBondContact O-OG1 3.38Å; T1429-K1431 PolarHBondContact O-N 3.15Å; T1429-V1432 PolarHBondContact O-N 3.45Å; T1429-D1433 PolarHBondContact O-N 3.01Å |
| 1430 | R | 50 | Low | 41.2 | Very low | 164 Ų | 164 | 103.5 Ų | 103.5 | 62% | 0.619 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -39.9 | 177.9 | -176.4 | -178.7 | 155.7 | 164 | -3.7 | 112.8 | H1426 I1428 D1433 E1434 | H1426-R1430 VanDerWaalsContact O-CB 3.29Å; H1426-R1430 WeakPolarHBondContact O-CB 3.47Å; H1426-R1430 PolarHBondContact O-N 2.94Å; H1426-R1430 VanDerWaalsContact O-N 3.07Å; I1428-R1430 VanDerWaalsContact C-N 3.27Å; I1428-R1430 PolarHBondContact O-N 2.84Å; R1430-D1433 PolarHBondContact O-N 3.41Å; R1430-E1434 HydrophobicContact CG-CG 4.5Å; R1430-E1434 IonicContact CZ-OE1 3.76Å; R1430-E1434 VanDerWaalsContact CZ-OE1 3.31Å; R1430-E1434 IonicContact NE-OE1 2.75Å; R1430-E1434 PolarHBondContact NE-OE1 3.45Å; R1430-E1434 IonicContact NH2-OE1 2.8Å; R1430-E1434 PolarHBondContact NH2-OE1 2.83Å; R1430-E1434 WeakPolarHBondContact O-CB 3.29Å; R1430-E1434 WeakPolarHBondContact O-CG 3.21Å; R1430-E1434 PolarHBondContact O-N 2.99Å |
| 1431 | K | 43.8 | Very low | 41.2 | Very low | 128 Ų | 128 | 104.9 Ų | 104.9 | 56% | 0.557 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.6 | -36.8 | 178.7 | -79.3 | 178.6 | 179.7 | -179.9 | 0 | 112.5 | S1427 I1428 T1429 E1434 H1435 | S1427-K1431 WeakPolarHBondContact O-CG 3.5Å; S1427-K1431 PolarHBondContact O-N 3.3Å; I1428-K1431 PolarHBondContact O-N 3.37Å; I1428-K1431 VanDerWaalsContact O-N 3.14Å; T1429-K1431 PolarHBondContact O-N 3.15Å; K1431-E1434 PolarHBondContact O-N 3.05Å; K1431-H1435 WeakPolarHBondContact O-CB 3.41Å; K1431-H1435 PolarHBondContact O-N 3.27Å |
| 1432 | V | 41.5 | Very low | 41.3 | Very low | 61 Ų | 61 | 109.1 Ų | 109.1 | 37% | 0.37 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.6 | -45 | 174.8 | 174.6 | 0 | 0 | 0 | 0 | 110.2 | I1428 T1429 E1434 H1435 I1436 | I1428-V1432 WeakPolarHBondContact O-CG2 3.37Å; I1428-V1432 PolarHBondContact O-N 2.99Å; T1429-V1432 PolarHBondContact O-N 3.45Å; V1432-E1434 PolarHBondContact O-N 3.37Å; V1432-H1435 PolarHBondContact O-N 3.04Å; V1432-I1436 HydrophobicContact CG1-CD1 4.04Å; V1432-I1436 WeakPolarHBondContact O-CG1 3.42Å; V1432-I1436 PolarHBondContact O-N 3.32Å |
| 1433 | D | 48.6 | Very low | 41.3 | Very low | 72 Ų | 72 | 108.7 Ų | 108.7 | 39% | 0.385 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 174.7 | -93.9 | -8.7 | 0 | 0 | 0 | 113.1 | T1429 R1430 I1436 K1437 | T1429-D1433 PolarHBondContact O-N 3.01Å; R1430-D1433 PolarHBondContact O-N 3.41Å; D1433-I1436 PolarHBondContact O-N 3.36Å; D1433-K1437 WeakPolarHBondContact O-CB 3.48Å; D1433-K1437 WeakPolarHBondContact O-CG 3.41Å; D1433-K1437 PolarHBondContact O-N 2.99Å |
| 1434 | E | 51.3 | Low | 41.2 | Very low | 95 Ų | 95 | 106.2 Ų | 106.2 | 44% | 0.444 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.1 | -38.9 | 175.9 | -82.2 | 179.3 | -175.4 | 0 | 0 | 111.3 | R1430 K1431 V1432 K1437 K1438 | R1430-E1434 HydrophobicContact CG-CG 4.5Å; R1430-E1434 IonicContact CZ-OE1 3.76Å; R1430-E1434 VanDerWaalsContact CZ-OE1 3.31Å; R1430-E1434 IonicContact NE-OE1 2.75Å; R1430-E1434 PolarHBondContact NE-OE1 3.45Å; R1430-E1434 IonicContact NH2-OE1 2.8Å; R1430-E1434 PolarHBondContact NH2-OE1 2.83Å; R1430-E1434 WeakPolarHBondContact O-CB 3.29Å; R1430-E1434 WeakPolarHBondContact O-CG 3.21Å; R1430-E1434 PolarHBondContact O-N 2.99Å; K1431-E1434 PolarHBondContact O-N 3.05Å; V1432-E1434 PolarHBondContact O-N 3.37Å; E1434-K1437 PolarHBondContact O-N 2.86Å; E1434-K1438 WeakPolarHBondContact O-CB 3.43Å; E1434-K1438 PolarHBondContact O-N 2.91Å |
| 1435 | H | 42.4 | Very low | 41.2 | Very low | 119 Ų | 119 | 106.4 Ų | 106.4 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.6 | -39.2 | 176.6 | -101.6 | -74.5 | 0 | 0 | 0 | 112.9 | K1431 V1432 K1438 Y1439 | K1431-H1435 WeakPolarHBondContact O-CB 3.41Å; K1431-H1435 PolarHBondContact O-N 3.27Å; V1432-H1435 PolarHBondContact O-N 3.04Å; H1435-K1438 PolarHBondContact O-N 2.92Å; H1435-Y1439 WeakPolarHBondContact O-CD2 3.47Å; H1435-Y1439 PolarHBondContact O-N 2.92Å |
| 1436 | I | 40 | Very low | 41.2 | Very low | 57 Ų | 57 | 105.9 Ų | 105.9 | 29% | 0.292 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 173.4 | -68.1 | 170.3 | 0 | 0 | 0 | 109.5 | V1432 D1433 K1438 Y1439 A1440 R1457 | V1432-I1436 HydrophobicContact CG1-CD1 4.04Å; V1432-I1436 WeakPolarHBondContact O-CG1 3.42Å; V1432-I1436 PolarHBondContact O-N 3.32Å; D1433-I1436 PolarHBondContact O-N 3.36Å; I1436-K1438 VanDerWaalsContact C-N 3.32Å; I1436-K1438 PolarHBondContact O-N 2.76Å; I1436-Y1439 PolarHBondContact O-N 2.96Å; I1436-A1440 WeakPolarHBondContact O-CB 3.34Å; I1436-A1440 PolarHBondContact O-N 3.37Å; I1436-R1457 HydrophobicContact CD1-CB 4.47Å |
| 1437 | K | 47.3 | Very low | 41 | Very low | 153 Ų | 153 | 105 Ų | 105 | 67% | 0.665 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.1 | -35 | 177.6 | -79.5 | 176.5 | 179 | 168.6 | 0 | 113.4 | D1433 E1434 Y1439 A1440 | D1433-K1437 WeakPolarHBondContact O-CB 3.48Å; D1433-K1437 WeakPolarHBondContact O-CG 3.41Å; D1433-K1437 PolarHBondContact O-N 2.99Å; E1434-K1437 PolarHBondContact O-N 2.86Å; K1437-Y1439 PolarHBondContact O-N 3.2Å; K1437-A1440 PolarHBondContact O-N 3.02Å |
| 1438 | K | 43.9 | Very low | 40.4 | Very low | 157 Ų | 157 | 109.1 Ų | 109.1 | 68% | 0.683 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.3 | -26.2 | -178.6 | -167.1 | 174.5 | -177.1 | -178.3 | 0 | 112.8 | E1434 H1435 I1436 | E1434-K1438 WeakPolarHBondContact O-CB 3.43Å; E1434-K1438 PolarHBondContact O-N 2.91Å; H1435-K1438 PolarHBondContact O-N 2.92Å; I1436-K1438 VanDerWaalsContact C-N 3.32Å; I1436-K1438 PolarHBondContact O-N 2.76Å |
| 1439 | Y | 40.2 | Very low | 40.5 | Very low | 153 Ų | 153 | 106.6 Ų | 106.6 | 60% | 0.6 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -107.1 | -12.4 | 177.3 | -69.5 | -75.9 | 0 | 0 | 0 | 113.6 | H1435 I1436 K1437 Q1441 L1444 | H1435-Y1439 WeakPolarHBondContact O-CD2 3.47Å; H1435-Y1439 PolarHBondContact O-N 2.92Å; I1436-Y1439 PolarHBondContact O-N 2.96Å; K1437-Y1439 PolarHBondContact O-N 3.2Å; Y1439-Q1441 PolarHBondContact O-N 3.31Å; Y1439-L1444 VanDerWaalsContact C-CD1 3.47Å; Y1439-L1444 WeakPolarHBondContact O-CD1 3.45Å |
| 1440 | A | 34.6 | Very low | 40.4 | Very low | 62 Ų | 62 | 108.5 Ų | 108.5 | 51% | 0.512 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.9 | 21.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | I1436 K1437 | I1436-A1440 WeakPolarHBondContact O-CB 3.34Å; I1436-A1440 PolarHBondContact O-N 3.37Å; K1437-A1440 PolarHBondContact O-N 3.02Å |
| 1441 | Q | 35.4 | Very low | 40 | Very low | 171 Ų | 171 | 106.7 Ų | 106.7 | 80% | 0.799 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 19.3 | -173.8 | -113.3 | -174.6 | 7.5 | 0 | 0 | 116.6 | Y1439 | Y1439-Q1441 PolarHBondContact O-N 3.31Š|
| 1442 | D | 33.6 | Very low | 39.7 | Very low | 152 Ų | 152 | 106.2 Ų | 106.2 | 81% | 0.813 | 57% | 0.572 | S | S | * | * | S | Bend | trans | 178.1 | 118.5 | 139.8 | -84.7 | -30.1 | 0 | 0 | 0 | 112 | ||
| 1443 | S | 34.6 | Very low | 39.6 | Very low | 102 Ų | 102 | 107.6 Ų | 107.6 | 71% | 0.713 | 58% | 0.577 | S | S | * | * | trans | 68.3 | 56.2 | 165 | 66.6 | 0 | 0 | 0 | 0 | 120.3 | S1445 | S1443-S1445 PolarHBondContact O-N 3.27Š| ||
| 1444 | L | 39.2 | Very low | 39.3 | Very low | 44 Ų | 44 | 106.4 Ų | 106.4 | 23% | 0.23 | 57% | 0.57 | C | S | . | * | G | 310 helix | trans | -78.4 | -4.7 | 176.2 | -106 | 121.4 | 0 | 0 | 0 | 117.2 | Y1439 S1446 L1447 Y1450 | Y1439-L1444 VanDerWaalsContact C-CD1 3.47Å; Y1439-L1444 WeakPolarHBondContact O-CD1 3.45Å; L1444-S1446 PolarHBondContact O-N 2.84Å; L1444-S1446 VanDerWaalsContact O-N 3.12Å; L1444-L1447 PolarHBondContact O-N 2.82Å; L1444-Y1450 HydrophobicContact CB-CD2 3.8Å; L1444-Y1450 HydrophobicContact CB-CE2 3.78Å; L1444-Y1450 HydrophobicContact CB-CG 4.48Å; L1444-Y1450 HydrophobicContact CD2-CD2 3.42Å; L1444-Y1450 VanDerWaalsContact CD2-CD2 3.42Å; L1444-Y1450 HydrophobicContact CD2-CE2 3.86Å; L1444-Y1450 HydrophobicContact CD2-CG 4.43Å; L1444-Y1450 HydrophobicContact CG-CD2 4.2Å; L1444-Y1450 HydrophobicContact CG-CE2 4.34Å |
| 1445 | S | 38.8 | Very low | 38.9 | Very low | 116 Ų | 116 | 104.5 Ų | 104.5 | 81% | 0.811 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -71.7 | -6.5 | -177.4 | 64.5 | 0 | 0 | 0 | 0 | 114 | S1443 | S1443-S1445 PolarHBondContact O-N 3.27Š|
| 1446 | S | 35.3 | Very low | 38.7 | Very low | 96 Ų | 96 | 104.3 Ų | 104.3 | 67% | 0.671 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -100.1 | -2.9 | 178.1 | 65.3 | 0 | 0 | 0 | 0 | 114.2 | L1444 P1448 | L1444-S1446 PolarHBondContact O-N 2.84Å; L1444-S1446 VanDerWaalsContact O-N 3.12Å; S1446-P1448 WeakPolarHBondContact O-CD 3.42Å |
| 1447 | L | 34.6 | Very low | 38.7 | Very low | 114 Ų | 114 | 106.8 Ų | 106.8 | 60% | 0.597 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -87.1 | 116.4 | 175.9 | -128.3 | 87.2 | 0 | 0 | 0 | 110 | L1444 G1449 Y1450 | L1444-L1447 PolarHBondContact O-N 2.82Å; L1447-G1449 PolarHBondContact O-N 2.98Å; L1447-G1449 VanDerWaalsContact O-N 3.14Å; L1447-Y1450 PolarHBondContact O-N 2.94Å; L1447-Y1450 VanDerWaalsContact O-N 3.15Å |
| 1448 | P | 32.7 | Very low | 38.5 | Very low | 132 Ų | 132 | 103.4 Ų | 103.4 | 86% | 0.857 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | 119.4 | 172.1 | -14.1 | 28 | 0 | 0 | 0 | 108.5 | S1446 | S1446-P1448 WeakPolarHBondContact O-CD 3.42Š|
| 1449 | G | 41.4 | Very low | 38.2 | Very low | 40 Ų | 40 | 98.9 Ų | 98.9 | 41% | 0.412 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 111.1 | -3.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1447 D1451 M1452 L1453 | L1447-G1449 PolarHBondContact O-N 2.98Å; L1447-G1449 VanDerWaalsContact O-N 3.14Å; G1449-D1451 VanDerWaalsContact C-N 3.27Å; G1449-D1451 PolarHBondContact O-N 3.33Å; G1449-M1452 WeakPolarHBondContact O-CA 3.49Å; G1449-M1452 VanDerWaalsContact O-CB 3.28Å; G1449-M1452 WeakPolarHBondContact O-CB 3.47Å; G1449-M1452 PolarHBondContact O-N 3.35Å; G1449-L1453 PolarHBondContact O-N 3.08Å |
| 1450 | Y | 38.5 | Very low | 38.1 | Very low | 90 Ų | 90 | 94.7 Ų | 94.7 | 35% | 0.353 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -56.4 | -41.8 | 170.5 | -178.9 | -111.7 | 0 | 0 | 0 | 112.4 | L1444 L1447 M1452 L1453 L1454 | L1444-Y1450 HydrophobicContact CB-CD2 3.8Å; L1444-Y1450 HydrophobicContact CB-CE2 3.78Å; L1444-Y1450 HydrophobicContact CB-CG 4.48Å; L1444-Y1450 HydrophobicContact CD2-CD2 3.42Å; L1444-Y1450 VanDerWaalsContact CD2-CD2 3.42Å; L1444-Y1450 HydrophobicContact CD2-CE2 3.86Å; L1444-Y1450 HydrophobicContact CD2-CG 4.43Å; L1444-Y1450 HydrophobicContact CG-CD2 4.2Å; L1444-Y1450 HydrophobicContact CG-CE2 4.34Å; L1447-Y1450 PolarHBondContact O-N 2.94Å; L1447-Y1450 VanDerWaalsContact O-N 3.15Å; Y1450-M1452 PolarHBondContact O-N 2.87Å; Y1450-L1453 PolarHBondContact O-N 3.3Å; Y1450-L1454 HydrophobicContact CD1-CD1 4Å; Y1450-L1454 HydrophobicContact CE1-CD1 3.63Å; Y1450-L1454 HydrophobicContact CE1-CG 4.46Å; Y1450-L1454 PolarHBondContact O-N 3.34Å; Y1450-L1454 VanDerWaalsContact O-N 3.1Å |
| 1451 | D | 42.5 | Very low | 38.2 | Very low | 127 Ų | 127 | 93.8 Ų | 93.8 | 68% | 0.679 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.3 | -26.9 | 174.4 | -64 | -31.6 | 0 | 0 | 0 | 112.2 | G1449 A1455 | G1449-D1451 VanDerWaalsContact C-N 3.27Å; G1449-D1451 PolarHBondContact O-N 3.33Å; D1451-A1455 WeakPolarHBondContact O-CB 3.47Å; D1451-A1455 PolarHBondContact O-N 3.01Å |
| 1452 | M | 37.6 | Very low | 38.2 | Very low | 117 Ų | 117 | 92.5 Ų | 92.5 | 58% | 0.576 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -77.2 | -34.1 | 177.9 | -159.3 | 170.2 | -175.8 | 0 | 0 | 112.1 | G1449 Y1450 A1455 M1456 M1485 | G1449-M1452 WeakPolarHBondContact O-CA 3.49Å; G1449-M1452 VanDerWaalsContact O-CB 3.28Å; G1449-M1452 WeakPolarHBondContact O-CB 3.47Å; G1449-M1452 PolarHBondContact O-N 3.35Å; Y1450-M1452 PolarHBondContact O-N 2.87Å; M1452-A1455 PolarHBondContact O-N 3.19Å; M1452-M1456 PolarHBondContact O-N 3.34Å; M1452-M1485 HydrophobicContact CE-CE 4.05Å; M1452-M1485 HydrophobicContact CE-SD 4.37Å |
| 1453 | L | 38.6 | Very low | 38.3 | Very low | 90 Ų | 90 | 88 Ų | 88 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.2 | -36.6 | 170.2 | -75 | 169.7 | 0 | 0 | 0 | 111.8 | G1449 Y1450 M1456 R1457 | G1449-L1453 PolarHBondContact O-N 3.08Å; Y1450-L1453 PolarHBondContact O-N 3.3Å; L1453-M1456 PolarHBondContact O-N 2.97Å; L1453-R1457 PolarHBondContact O-N 3.46Å |
| 1454 | L | 42.4 | Very low | 38.2 | Very low | 47 Ų | 47 | 90.1 Ų | 90.1 | 25% | 0.246 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 170.8 | -75 | 168.7 | 0 | 0 | 0 | 111.3 | Y1450 R1457 D1458 | Y1450-L1454 HydrophobicContact CD1-CD1 4Å; Y1450-L1454 HydrophobicContact CE1-CD1 3.63Å; Y1450-L1454 HydrophobicContact CE1-CG 4.46Å; Y1450-L1454 PolarHBondContact O-N 3.34Å; Y1450-L1454 VanDerWaalsContact O-N 3.1Å; L1454-R1457 WeakPolarHBondContact O-CB 3.32Å; L1454-R1457 PolarHBondContact O-N 3.05Å; L1454-D1458 WeakPolarHBondContact O-CB 3.37Å; L1454-D1458 VanDerWaalsContact O-CG 3.25Å; L1454-D1458 PolarHBondContact O-N 2.63Å |
| 1455 | A | 43.4 | Very low | 38 | Very low | 56 Ų | 56 | 96.8 Ų | 96.8 | 46% | 0.463 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.4 | -39.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1451 M1452 D1458 A1459 | D1451-A1455 WeakPolarHBondContact O-CB 3.47Å; D1451-A1455 PolarHBondContact O-N 3.01Å; M1452-A1455 PolarHBondContact O-N 3.19Å; A1455-D1458 PolarHBondContact O-N 3.22Å; A1455-A1459 VanDerWaalsContact O-CB 3.26Å; A1455-A1459 WeakPolarHBondContact O-CB 3.45Å; A1455-A1459 PolarHBondContact O-N 3.37Å |
| 1456 | M | 39.3 | Very low | 37.6 | Very low | 115 Ų | 115 | 94.5 Ų | 94.5 | 57% | 0.567 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.4 | -43 | 172.6 | -104.9 | -176.1 | 159.4 | 0 | 0 | 111.9 | M1452 L1453 V1460 | M1452-M1456 PolarHBondContact O-N 3.34Å; L1453-M1456 PolarHBondContact O-N 2.97Å; M1456-V1460 WeakPolarHBondContact O-CG2 3.36Å; M1456-V1460 PolarHBondContact O-N 3.42Å; M1456-V1460 VanDerWaalsContact O-N 3.12Å |
| 1457 | R | 38.9 | Very low | 37.4 | Very low | 109 Ų | 109 | 94.4 Ų | 94.4 | 41% | 0.411 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 175.5 | -175.2 | -159.4 | 70.8 | -173.1 | -1.8 | 111.4 | I1436 L1453 L1454 V1460 G1461 | I1436-R1457 HydrophobicContact CD1-CB 4.47Å; L1453-R1457 PolarHBondContact O-N 3.46Å; L1454-R1457 WeakPolarHBondContact O-CB 3.32Å; L1454-R1457 PolarHBondContact O-N 3.05Å; R1457-V1460 PolarHBondContact O-N 2.9Å; R1457-G1461 PolarHBondContact O-N 3.38Å |
| 1458 | D | 42.2 | Very low | 37.2 | Very low | 81 Ų | 81 | 92.6 Ų | 92.6 | 43% | 0.433 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71 | -35.7 | -176.9 | -66.9 | -9.5 | 0 | 0 | 0 | 111.2 | L1454 A1455 G1461 M1462 | L1454-D1458 WeakPolarHBondContact O-CB 3.37Å; L1454-D1458 VanDerWaalsContact O-CG 3.25Å; L1454-D1458 PolarHBondContact O-N 2.63Å; A1455-D1458 PolarHBondContact O-N 3.22Å; D1458-G1461 PolarHBondContact O-N 2.87Å; D1458-M1462 WeakPolarHBondContact O-CG 3.28Å; D1458-M1462 PolarHBondContact O-N 3.48Å |
| 1459 | A | 38.5 | Very low | 36.9 | Very low | 62 Ų | 62 | 94.6 Ų | 94.6 | 51% | 0.512 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65 | -38.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | A1455 M1462 S1463 | A1455-A1459 VanDerWaalsContact O-CB 3.26Å; A1455-A1459 WeakPolarHBondContact O-CB 3.45Å; A1455-A1459 PolarHBondContact O-N 3.37Å; A1459-M1462 PolarHBondContact O-N 3.23Å; A1459-S1463 PolarHBondContact O-N 3.04Å |
| 1460 | V | 37.2 | Very low | 36.3 | Very low | 65 Ų | 65 | 98.7 Ų | 98.7 | 39% | 0.394 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -69.6 | -40.1 | 174.2 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | M1456 R1457 M1462 S1463 | M1456-V1460 WeakPolarHBondContact O-CG2 3.36Å; M1456-V1460 PolarHBondContact O-N 3.42Å; M1456-V1460 VanDerWaalsContact O-N 3.12Å; R1457-V1460 PolarHBondContact O-N 2.9Å; V1460-M1462 VanDerWaalsContact C-N 3.29Å; V1460-M1462 PolarHBondContact O-N 2.84Å; V1460-S1463 WeakPolarHBondContact O-CB 3.49Å; V1460-S1463 PolarHBondContact O-N 3.38Å; V1460-S1463 PolarHBondContact O-OG 2.93Å |
| 1461 | G | 37 | Very low | 35.8 | Very low | 44 Ų | 44 | 100 Ų | 100 | 45% | 0.454 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.8 | -33.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1457 D1458 S1463 E1464 | R1457-G1461 PolarHBondContact O-N 3.38Å; D1458-G1461 PolarHBondContact O-N 2.87Å; G1461-S1463 VanDerWaalsContact C-N 3.26Å; G1461-S1463 PolarHBondContact O-N 2.94Å; G1461-E1464 PolarHBondContact O-N 3.49Å |
| 1462 | M | 36 | Very low | 35.2 | Very low | 144 Ų | 144 | 101.2 Ų | 101.2 | 71% | 0.709 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -71.2 | -18.3 | 174.1 | -71.4 | -168.8 | 74.8 | 0 | 0 | 113.6 | D1458 A1459 V1460 E1464 Q1465 | D1458-M1462 WeakPolarHBondContact O-CG 3.28Å; D1458-M1462 PolarHBondContact O-N 3.48Å; A1459-M1462 PolarHBondContact O-N 3.23Å; V1460-M1462 VanDerWaalsContact C-N 3.29Å; V1460-M1462 PolarHBondContact O-N 2.84Å; M1462-E1464 VanDerWaalsContact C-N 3.29Å; M1462-E1464 PolarHBondContact O-N 3.26Å; M1462-Q1465 PolarHBondContact O-N 3.49Å |
| 1463 | S | 36.7 | Very low | 34.9 | Very low | 58 Ų | 58 | 98.1 Ų | 98.1 | 41% | 0.406 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.8 | -19.7 | 177.5 | 79.7 | 0 | 0 | 0 | 0 | 113.6 | A1459 V1460 G1461 Q1465 | A1459-S1463 PolarHBondContact O-N 3.04Å; V1460-S1463 WeakPolarHBondContact O-CB 3.49Å; V1460-S1463 PolarHBondContact O-N 3.38Å; V1460-S1463 PolarHBondContact O-OG 2.93Å; G1461-S1463 VanDerWaalsContact C-N 3.26Å; G1461-S1463 PolarHBondContact O-N 2.94Å; S1463-Q1465 PolarHBondContact O-N 2.9Å |
| 1464 | E | 32 | Very low | 34.6 | Very low | 145 Ų | 145 | 96.9 Ų | 96.9 | 68% | 0.678 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -13.7 | 175.7 | -74.9 | -171 | 166.6 | 0 | 0 | 113.1 | G1461 M1462 | G1461-E1464 PolarHBondContact O-N 3.49Å; M1462-E1464 VanDerWaalsContact C-N 3.29Å; M1462-E1464 PolarHBondContact O-N 3.26Å |
| 1465 | Q | 34.9 | Very low | 34 | Very low | 185 Ų | 185 | 97.4 Ų | 97.4 | 86% | 0.864 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | 0.8 | -173.4 | -63.3 | -170 | 1 | 0 | 0 | 115.7 | M1462 S1463 | M1462-Q1465 PolarHBondContact O-N 3.49Å; S1463-Q1465 PolarHBondContact O-N 2.9Å |
| 1466 | A | 30 | Very low | 33.4 | Very low | 67 Ų | 67 | 99.1 Ų | 99.1 | 55% | 0.554 | 57% | 0.565 | S | S | * | * | trans | -112.7 | 128.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1467 | S | 31.3 | Very low | 33 | Very low | 94 Ų | 94 | 99 Ų | 99 | 66% | 0.657 | 57% | 0.567 | S | S | * | * | trans | -67.7 | 141.6 | 177.5 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | H1469 D1470 | S1467-H1469 PolarHBondContact O-N 3.19Å; S1467-D1470 PolarHBondContact O-N 3.42Å | ||
| 1468 | A | 29.8 | Very low | 32.7 | Very low | 76 Ų | 76 | 98.4 Ų | 98.4 | 63% | 0.628 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.2 | -6.2 | -166.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 1469 | H | 27.5 | Very low | 32.2 | Very low | 174 Ų | 174 | 99.5 Ų | 99.5 | 81% | 0.806 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -24.2 | -178.1 | -141.1 | -59.6 | 0 | 0 | 0 | 113.6 | S1467 | S1467-H1469 PolarHBondContact O-N 3.19Š|
| 1470 | D | 28.1 | Very low | 32 | Very low | 127 Ų | 127 | 98.2 Ų | 98.2 | 68% | 0.679 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -9.7 | 179.7 | -67.6 | -29.1 | 0 | 0 | 0 | 113.4 | S1467 | S1467-D1470 PolarHBondContact O-N 3.42Š|
| 1471 | F | 28.4 | Very low | 31.8 | Very low | 116 Ų | 116 | 100 Ų | 100 | 51% | 0.509 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.3 | -36.2 | -177.5 | -172.5 | -106.9 | 0 | 0 | 0 | 113.3 | I1475 | F1471-I1475 HydrophobicContact CD1-CD1 3.96Å; F1471-I1475 HydrophobicContact CE1-CD1 3.36Å; F1471-I1475 HydrophobicContact CE2-CD1 4.05Å; F1471-I1475 HydrophobicContact CZ-CD1 3.43Å; F1471-I1475 VanDerWaalsContact CZ-CD1 3.43Å |
| 1472 | Y | 30 | Very low | 31.5 | Very low | 154 Ų | 154 | 101.2 Ų | 101.2 | 60% | 0.604 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -76.6 | -28.4 | -173.3 | -80.2 | -82.5 | 0 | 0 | 0 | 114.2 | A1474 | Y1472-A1474 VanDerWaalsContact C-N 3.35Å |
| 1473 | G | 31 | Very low | 31.4 | Very low | 52 Ų | 52 | 101.7 Ų | 101.7 | 54% | 0.536 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70 | -32.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1474 | A | 32.2 | Very low | 31.2 | Very low | 63 Ų | 63 | 103.5 Ų | 103.5 | 52% | 0.521 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -77 | -39.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1472 M1478 | Y1472-A1474 VanDerWaalsContact C-N 3.35Å; A1474-M1478 WeakPolarHBondContact O-CB 3.42Å; A1474-M1478 PolarHBondContact O-N 3.02Å |
| 1475 | I | 29 | Very low | 31.3 | Very low | 58 Ų | 58 | 100.7 Ų | 100.7 | 30% | 0.297 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.2 | -36.3 | -175.6 | -68.4 | 179 | 0 | 0 | 0 | 112.4 | F1471 N1477 M1478 I1479 | F1471-I1475 HydrophobicContact CD1-CD1 3.96Å; F1471-I1475 HydrophobicContact CE1-CD1 3.36Å; F1471-I1475 HydrophobicContact CE2-CD1 4.05Å; F1471-I1475 HydrophobicContact CZ-CD1 3.43Å; F1471-I1475 VanDerWaalsContact CZ-CD1 3.43Å; I1475-N1477 VanDerWaalsContact C-N 3.3Å; I1475-N1477 PolarHBondContact O-N 3.49Å; I1475-M1478 PolarHBondContact O-N 3.29Å; I1475-I1479 HydrophobicContact CG2-CD1 3.64Å; I1475-I1479 HydrophobicContact CG2-CG1 4.19Å; I1475-I1479 WeakPolarHBondContact O-CG1 3.39Å; I1475-I1479 PolarHBondContact O-N 2.9Å |
| 1476 | S | 31.3 | Very low | 31.4 | Very low | 92 Ų | 92 | 96.6 Ų | 96.6 | 64% | 0.643 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.2 | -33.9 | -179 | -170.2 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1477 | N | 32.1 | Very low | 31.6 | Very low | 114 Ų | 114 | 95.7 Ų | 95.7 | 61% | 0.61 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -77.2 | -39.8 | 176.2 | -70.6 | -19.3 | 0 | 0 | 0 | 110.9 | I1475 I1479 G1480 D1481 | I1475-N1477 VanDerWaalsContact C-N 3.3Å; I1475-N1477 PolarHBondContact O-N 3.49Å; N1477-I1479 PolarHBondContact O-N 3.41Å; N1477-G1480 PolarHBondContact O-N 2.98Å; N1477-D1481 PolarHBondContact O-N 3.45Å; N1477-D1481 VanDerWaalsContact O-N 3.07Å |
| 1478 | M | 30.8 | Very low | 31.9 | Very low | 95 Ų | 95 | 93.8 Ų | 93.8 | 47% | 0.468 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -38.2 | -178.3 | -168 | 179.6 | 70 | 0 | 0 | 113.1 | A1474 I1475 D1481 I1482 | A1474-M1478 WeakPolarHBondContact O-CB 3.42Å; A1474-M1478 PolarHBondContact O-N 3.02Å; I1475-M1478 PolarHBondContact O-N 3.29Å; M1478-D1481 PolarHBondContact O-N 3.02Å; M1478-I1482 HydrophobicContact CG-CD1 3.93Å; M1478-I1482 WeakPolarHBondContact O-CD1 3.4Å; M1478-I1482 VanDerWaalsContact O-CG1 3.22Å; M1478-I1482 WeakPolarHBondContact O-CG1 3.33Å; M1478-I1482 PolarHBondContact O-N 2.85Å |
| 1479 | I | 32.2 | Very low | 32.2 | Very low | 105 Ų | 105 | 94.9 Ų | 94.9 | 54% | 0.538 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.9 | -37.3 | 178 | -66.3 | 172.2 | 0 | 0 | 0 | 111.2 | I1475 N1477 D1481 F1483 | I1475-I1479 HydrophobicContact CG2-CD1 3.64Å; I1475-I1479 HydrophobicContact CG2-CG1 4.19Å; I1475-I1479 WeakPolarHBondContact O-CG1 3.39Å; I1475-I1479 PolarHBondContact O-N 2.9Å; N1477-I1479 PolarHBondContact O-N 3.41Å; I1479-D1481 VanDerWaalsContact C-N 3.35Å; I1479-F1483 PolarHBondContact O-N 3.43Å |
| 1480 | G | 34 | Very low | 32.6 | Very low | 34 Ų | 34 | 92 Ų | 92 | 35% | 0.351 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | N1477 L1484 | N1477-G1480 PolarHBondContact O-N 2.98Å; G1480-L1484 WeakPolarHBondContact O-CB 3.41Å; G1480-L1484 WeakPolarHBondContact O-CD1 3.41Å; G1480-L1484 WeakPolarHBondContact O-CG 3.26Å; G1480-L1484 PolarHBondContact O-N 3.48Å; G1480-L1484 VanDerWaalsContact O-N 3.12Å |
| 1481 | D | 33 | Very low | 32.9 | Very low | 103 Ų | 103 | 87.1 Ų | 87.1 | 55% | 0.551 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -71.2 | -37.7 | -178.8 | -66.6 | -22.1 | 0 | 0 | 0 | 112.5 | N1477 M1478 I1479 L1484 M1485 | N1477-D1481 PolarHBondContact O-N 3.45Å; N1477-D1481 VanDerWaalsContact O-N 3.07Å; M1478-D1481 PolarHBondContact O-N 3.02Å; I1479-D1481 VanDerWaalsContact C-N 3.35Å; D1481-L1484 PolarHBondContact O-N 3.17Å; D1481-M1485 VanDerWaalsContact O-CB 3.24Å; D1481-M1485 WeakPolarHBondContact O-CB 3.37Å; D1481-M1485 PolarHBondContact O-N 3.46Å |
| 1482 | I | 31.5 | Very low | 33.4 | Very low | 69 Ų | 69 | 85.6 Ų | 85.6 | 35% | 0.354 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 176.6 | -70.9 | 166.2 | 0 | 0 | 0 | 111.1 | M1478 M1485 I1486 | M1478-I1482 HydrophobicContact CG-CD1 3.93Å; M1478-I1482 WeakPolarHBondContact O-CD1 3.4Å; M1478-I1482 VanDerWaalsContact O-CG1 3.22Å; M1478-I1482 WeakPolarHBondContact O-CG1 3.33Å; M1478-I1482 PolarHBondContact O-N 2.85Å; I1482-M1485 PolarHBondContact O-N 2.92Å; I1482-I1486 HydrophobicContact CG2-CD1 4.02Å; I1482-I1486 WeakPolarHBondContact O-CG1 3.45Å; I1482-I1486 PolarHBondContact O-N 2.95Å; I1482-I1486 VanDerWaalsContact O-N 3.15Å |
| 1483 | F | 34.2 | Very low | 33.8 | Very low | 154 Ų | 154 | 84.4 Ų | 84.4 | 68% | 0.675 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.3 | -41.6 | 178.9 | -169.2 | -95.4 | 0 | 0 | 0 | 111.8 | I1479 M1485 T1487 | I1479-F1483 PolarHBondContact O-N 3.43Å; F1483-M1485 VanDerWaalsContact C-N 3.32Å; F1483-M1485 PolarHBondContact O-N 3.46Å; F1483-T1487 PolarHBondContact O-N 3.31Å; F1483-T1487 PolarHBondContact O-OG1 3.04Å |
| 1484 | L | 31.9 | Very low | 34.1 | Very low | 97 Ų | 97 | 84.6 Ų | 84.6 | 51% | 0.508 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.1 | -36.5 | 176.7 | -77.3 | 164.6 | 0 | 0 | 0 | 112.4 | G1480 D1481 A1488 | G1480-L1484 WeakPolarHBondContact O-CB 3.41Å; G1480-L1484 WeakPolarHBondContact O-CD1 3.41Å; G1480-L1484 WeakPolarHBondContact O-CG 3.26Å; G1480-L1484 PolarHBondContact O-N 3.48Å; G1480-L1484 VanDerWaalsContact O-N 3.12Å; D1481-L1484 PolarHBondContact O-N 3.17Å; L1484-A1488 PolarHBondContact O-N 2.9Å |
| 1485 | M | 33.8 | Very low | 34.3 | Very low | 85 Ų | 85 | 83 Ų | 83 | 42% | 0.419 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -74.4 | -41.6 | -177.7 | -170.9 | 166.9 | 39.7 | 0 | 0 | 112.9 | M1452 D1481 I1482 F1483 T1487 A1488 D1489 | M1452-M1485 HydrophobicContact CE-CE 4.05Å; M1452-M1485 HydrophobicContact CE-SD 4.37Å; D1481-M1485 VanDerWaalsContact O-CB 3.24Å; D1481-M1485 WeakPolarHBondContact O-CB 3.37Å; D1481-M1485 PolarHBondContact O-N 3.46Å; I1482-M1485 PolarHBondContact O-N 2.92Å; F1483-M1485 VanDerWaalsContact C-N 3.32Å; F1483-M1485 PolarHBondContact O-N 3.46Å; M1485-T1487 PolarHBondContact O-N 3.38Å; M1485-A1488 PolarHBondContact O-N 3.13Å; M1485-A1488 VanDerWaalsContact O-N 3.16Å; M1485-D1489 PolarHBondContact O-N 2.65Å; M1485-D1489 VanDerWaalsContact O-N 3.07Å |
| 1486 | I | 36.5 | Very low | 34.8 | Very low | 99 Ų | 99 | 84.8 Ų | 84.8 | 51% | 0.508 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.9 | -35.8 | 175.1 | -67.4 | 168.1 | 0 | 0 | 0 | 111 | I1482 F1490 | I1482-I1486 HydrophobicContact CG2-CD1 4.02Å; I1482-I1486 WeakPolarHBondContact O-CG1 3.45Å; I1482-I1486 PolarHBondContact O-N 2.95Å; I1482-I1486 VanDerWaalsContact O-N 3.15Å; I1486-F1490 PolarHBondContact O-N 2.91Å |
| 1487 | T | 34.8 | Very low | 35.1 | Very low | 49 Ų | 49 | 86.5 Ų | 86.5 | 30% | 0.301 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.4 | -36.7 | -179.9 | -42.1 | 0 | 0 | 0 | 0 | 111.5 | F1483 M1485 F1490 V1491 F1523 | F1483-T1487 PolarHBondContact O-N 3.31Å; F1483-T1487 PolarHBondContact O-OG1 3.04Å; M1485-T1487 PolarHBondContact O-N 3.38Å; T1487-F1490 PolarHBondContact O-N 3.22Å; T1487-V1491 VanDerWaalsContact O-CG2 3.31Å; T1487-V1491 WeakPolarHBondContact O-CG2 3.47Å; T1487-V1491 PolarHBondContact O-N 2.62Å; T1487-V1491 VanDerWaalsContact O-N 3.13Å; T1487-F1523 HydrophobicContact CG2-CE2 4.19Å; T1487-F1523 HydrophobicContact CG2-CZ 4.27Å |
| 1488 | A | 37.3 | Very low | 35.7 | Very low | 54 Ų | 54 | 86.4 Ų | 86.4 | 45% | 0.446 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1484 M1485 F1490 V1491 A1492 | L1484-A1488 PolarHBondContact O-N 2.9Å; M1485-A1488 PolarHBondContact O-N 3.13Å; M1485-A1488 VanDerWaalsContact O-N 3.16Å; A1488-F1490 PolarHBondContact O-N 3.19Å; A1488-V1491 PolarHBondContact O-N 3.46Å; A1488-A1492 PolarHBondContact O-N 2.78Å |
| 1489 | D | 37.8 | Very low | 36.2 | Very low | 99 Ų | 99 | 82.4 Ų | 82.4 | 53% | 0.529 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.6 | -36.8 | 177.3 | -75 | -16.5 | 0 | 0 | 0 | 111.9 | M1485 V1491 A1492 I1493 | M1485-D1489 PolarHBondContact O-N 2.65Å; M1485-D1489 VanDerWaalsContact O-N 3.07Å; D1489-V1491 PolarHBondContact O-N 3.38Å; D1489-A1492 WeakPolarHBondContact O-CB 3.35Å; D1489-A1492 PolarHBondContact O-N 3.16Å; D1489-I1493 WeakPolarHBondContact O-CD1 3.49Å; D1489-I1493 WeakPolarHBondContact O-CG1 3.27Å; D1489-I1493 PolarHBondContact O-N 2.79Å |
| 1490 | F | 35.1 | Very low | 36.6 | Very low | 114 Ų | 114 | 83 Ų | 83 | 50% | 0.5 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.1 | -35.7 | 175 | -115.1 | -90.8 | 0 | 0 | 0 | 112.9 | I1486 T1487 A1488 A1492 I1493 V1494 | I1486-F1490 PolarHBondContact O-N 2.91Å; T1487-F1490 PolarHBondContact O-N 3.22Å; A1488-F1490 PolarHBondContact O-N 3.19Å; F1490-A1492 VanDerWaalsContact C-N 3.34Å; F1490-I1493 PolarHBondContact O-N 2.97Å; F1490-V1494 HydrophobicContact CD1-CG2 3.99Å; F1490-V1494 HydrophobicContact CE1-CG2 4.35Å; F1490-V1494 WeakPolarHBondContact O-CG2 3.45Å; F1490-V1494 PolarHBondContact O-N 3.35Å |
| 1491 | V | 33.2 | Very low | 36.9 | Very low | 23 Ų | 23 | 87.5 Ų | 87.5 | 14% | 0.139 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -67.4 | -36.6 | 173.9 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | T1487 A1488 D1489 I1493 G1495 A1499 | T1487-V1491 VanDerWaalsContact O-CG2 3.31Å; T1487-V1491 WeakPolarHBondContact O-CG2 3.47Å; T1487-V1491 PolarHBondContact O-N 2.62Å; T1487-V1491 VanDerWaalsContact O-N 3.13Å; A1488-V1491 PolarHBondContact O-N 3.46Å; D1489-V1491 PolarHBondContact O-N 3.38Å; V1491-I1493 VanDerWaalsContact C-N 3.3Å; V1491-I1493 PolarHBondContact O-N 3.04Å; V1491-G1495 WeakPolarHBondContact O-CA 3.45Å; V1491-G1495 PolarHBondContact O-N 3.4Å; V1491-A1499 HydrophobicContact CG1-CB 4.08Å; V1491-A1499 HydrophobicContact CG2-CB 3.89Å |
| 1492 | A | 39.4 | Very low | 37.3 | Very low | 84 Ų | 84 | 87.2 Ų | 87.2 | 69% | 0.694 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.5 | -33.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1488 D1489 F1490 | A1488-A1492 PolarHBondContact O-N 2.78Å; D1489-A1492 WeakPolarHBondContact O-CB 3.35Å; D1489-A1492 PolarHBondContact O-N 3.16Å; F1490-A1492 VanDerWaalsContact C-N 3.34Å |
| 1493 | I | 39.2 | Very low | 37.7 | Very low | 129 Ų | 129 | 84.9 Ų | 84.9 | 66% | 0.662 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -78.7 | -40.6 | -179.6 | -67.6 | 163.5 | 0 | 0 | 0 | 112.4 | D1489 F1490 V1491 | D1489-I1493 WeakPolarHBondContact O-CD1 3.49Å; D1489-I1493 WeakPolarHBondContact O-CG1 3.27Å; D1489-I1493 PolarHBondContact O-N 2.79Å; F1490-I1493 PolarHBondContact O-N 2.97Å; V1491-I1493 VanDerWaalsContact C-N 3.3Å; V1491-I1493 PolarHBondContact O-N 3.04Å |
| 1494 | V | 37 | Very low | 37.9 | Very low | 57 Ų | 57 | 80 Ų | 80 | 35% | 0.345 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -106.8 | -6.3 | -170.5 | -157.5 | 0 | 0 | 0 | 0 | 113.3 | F1490 W1498 | F1490-V1494 HydrophobicContact CD1-CG2 3.99Å; F1490-V1494 HydrophobicContact CE1-CG2 4.35Å; F1490-V1494 WeakPolarHBondContact O-CG2 3.45Å; F1490-V1494 PolarHBondContact O-N 3.35Å; V1494-W1498 HydrophobicContact CB-CB 4.31Å; V1494-W1498 HydrophobicContact CB-CD2 3.92Å; V1494-W1498 HydrophobicContact CB-CE3 3.77Å; V1494-W1498 HydrophobicContact CB-CG 4.18Å; V1494-W1498 HydrophobicContact CB-CZ3 4.36Å; V1494-W1498 HydrophobicContact CG1-CB 3.72Å; V1494-W1498 HydrophobicContact CG1-CD2 3.43Å; V1494-W1498 VanDerWaalsContact CG1-CD2 3.43Å; V1494-W1498 HydrophobicContact CG1-CE3 3.84Å; V1494-W1498 HydrophobicContact CG1-CG 3.37Å; V1494-W1498 HydrophobicContact CG2-CE3 4.38Å; V1494-W1498 WeakPolarHBondContact O-CB 3.37Å |
| 1495 | G | 36 | Very low | 38 | Very low | 30 Ų | 30 | 76.8 Ų | 76.8 | 31% | 0.309 | 43% | 0.426 | S | S | . | . | trans | 82.6 | 151.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V1491 I1497 W1498 A1499 | V1491-G1495 WeakPolarHBondContact O-CA 3.45Å; V1491-G1495 PolarHBondContact O-N 3.4Å; G1495-I1497 PolarHBondContact O-N 2.85Å; G1495-W1498 PolarHBondContact O-N 3.5Å; G1495-A1499 PolarHBondContact O-N 3.1Å | ||
| 1496 | N | 39.1 | Very low | 38 | Very low | 94 Ų | 94 | 78 Ų | 78 | 50% | 0.503 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -54.5 | -31.7 | -172.4 | -70.6 | -16.8 | 0 | 0 | 0 | 114.2 | A1499 Q1500 | N1496-A1499 PolarHBondContact O-N 2.84Å; N1496-Q1500 WeakPolarHBondContact O-CB 3.42Å; N1496-Q1500 VanDerWaalsContact O-CG 3.3Å; N1496-Q1500 WeakPolarHBondContact O-CG 3.28Å; N1496-Q1500 PolarHBondContact O-N 3.23Å |
| 1497 | I | 38.6 | Very low | 37.8 | Very low | 128 Ų | 128 | 76.2 Ų | 76.2 | 66% | 0.656 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -72.2 | -38.6 | -178.7 | -61.1 | 171.3 | 0 | 0 | 0 | 111.2 | G1495 K1501 | G1495-I1497 PolarHBondContact O-N 2.85Å; I1497-K1501 PolarHBondContact O-N 2.84Å |
| 1498 | W | 45.3 | Very low | 37.7 | Very low | 113 Ų | 113 | 78.8 Ų | 78.8 | 43% | 0.428 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.2 | -41.9 | 174.8 | -176.4 | 90.9 | 0 | 0 | 0 | 110.7 | V1494 G1495 Q1500 K1501 Q1502 | V1494-W1498 HydrophobicContact CB-CB 4.31Å; V1494-W1498 HydrophobicContact CB-CD2 3.92Å; V1494-W1498 HydrophobicContact CB-CE3 3.77Å; V1494-W1498 HydrophobicContact CB-CG 4.18Å; V1494-W1498 HydrophobicContact CB-CZ3 4.36Å; V1494-W1498 HydrophobicContact CG1-CB 3.72Å; V1494-W1498 HydrophobicContact CG1-CD2 3.43Å; V1494-W1498 VanDerWaalsContact CG1-CD2 3.43Å; V1494-W1498 HydrophobicContact CG1-CE3 3.84Å; V1494-W1498 HydrophobicContact CG1-CG 3.37Å; V1494-W1498 HydrophobicContact CG2-CE3 4.38Å; V1494-W1498 WeakPolarHBondContact O-CB 3.37Å; G1495-W1498 PolarHBondContact O-N 3.5Å; W1498-Q1500 PolarHBondContact O-N 3.46Å; W1498-K1501 PolarHBondContact O-N 3.28Å; W1498-Q1502 HydrophobicContact CD2-CG 3.87Å; W1498-Q1502 HydrophobicContact CE3-CG 4.19Å; W1498-Q1502 HydrophobicContact CG-CG 4.47Å; W1498-Q1502 HydrophobicContact CH2-CG 4.06Å; W1498-Q1502 HydrophobicContact CZ2-CG 3.73Å; W1498-Q1502 HydrophobicContact CZ3-CG 4.28Å; W1498-Q1502 WeakPolarHBondContact O-CG 3.3Å; W1498-Q1502 PolarHBondContact O-N 2.91Å |
| 1499 | A | 40.5 | Very low | 37.5 | Very low | 11 Ų | 11 | 81.4 Ų | 81.4 | 9% | 0.091 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1491 G1495 N1496 Q1502 V1503 | V1491-A1499 HydrophobicContact CG1-CB 4.08Å; V1491-A1499 HydrophobicContact CG2-CB 3.89Å; G1495-A1499 PolarHBondContact O-N 3.1Å; N1496-A1499 PolarHBondContact O-N 2.84Å; A1499-Q1502 PolarHBondContact O-N 3.42Å; A1499-V1503 WeakPolarHBondContact O-CB 3.41Å; A1499-V1503 WeakPolarHBondContact O-CG2 3.11Å; A1499-V1503 PolarHBondContact O-N 3.24Å |
| 1500 | Q | 41.1 | Very low | 37.1 | Very low | 116 Ų | 116 | 77.4 Ų | 77.4 | 54% | 0.542 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 174.1 | -79.1 | 177.3 | -14 | 0 | 0 | 112.1 | N1496 W1498 A1504 | N1496-Q1500 WeakPolarHBondContact O-CB 3.42Å; N1496-Q1500 VanDerWaalsContact O-CG 3.3Å; N1496-Q1500 WeakPolarHBondContact O-CG 3.28Å; N1496-Q1500 PolarHBondContact O-N 3.23Å; W1498-Q1500 PolarHBondContact O-N 3.46Å; Q1500-A1504 WeakPolarHBondContact O-CB 3.23Å; Q1500-A1504 PolarHBondContact O-N 3.45Å |
| 1501 | K | 40.3 | Very low | 36.8 | Very low | 130 Ų | 130 | 82.8 Ų | 82.8 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.5 | -41.9 | 176.9 | -90.5 | -172 | 172.6 | -176 | 0 | 112.9 | I1497 W1498 G1505 | I1497-K1501 PolarHBondContact O-N 2.84Å; W1498-K1501 PolarHBondContact O-N 3.28Å; K1501-G1505 PolarHBondContact O-N 3.11Å |
| 1502 | Q | 40.5 | Very low | 36.6 | Very low | 96 Ų | 96 | 87.2 Ų | 87.2 | 45% | 0.449 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -75.7 | -35.8 | -178.7 | -66 | -58.1 | -22.7 | 0 | 0 | 112.9 | W1498 A1499 G1505 M1506 | W1498-Q1502 HydrophobicContact CD2-CG 3.87Å; W1498-Q1502 HydrophobicContact CE3-CG 4.19Å; W1498-Q1502 HydrophobicContact CG-CG 4.47Å; W1498-Q1502 HydrophobicContact CH2-CG 4.06Å; W1498-Q1502 HydrophobicContact CZ2-CG 3.73Å; W1498-Q1502 HydrophobicContact CZ3-CG 4.28Å; W1498-Q1502 WeakPolarHBondContact O-CG 3.3Å; W1498-Q1502 PolarHBondContact O-N 2.91Å; A1499-Q1502 PolarHBondContact O-N 3.42Å; Q1502-G1505 PolarHBondContact O-N 3.08Å; Q1502-M1506 PolarHBondContact O-N 3.17Å |
| 1503 | V | 39.8 | Very low | 36.1 | Very low | 20 Ų | 20 | 87 Ų | 87 | 12% | 0.121 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -68.9 | -40.5 | 174.1 | 175 | 0 | 0 | 0 | 0 | 110.8 | A1499 M1506 L1507 A1520 L1524 | A1499-V1503 WeakPolarHBondContact O-CB 3.41Å; A1499-V1503 WeakPolarHBondContact O-CG2 3.11Å; A1499-V1503 PolarHBondContact O-N 3.24Å; V1503-M1506 HydrophobicContact CG2-CE 4.32Å; V1503-M1506 PolarHBondContact O-N 3.46Å; V1503-L1507 HydrophobicContact CG1-CD1 4.24Å; V1503-L1507 WeakPolarHBondContact O-CG 3.27Å; V1503-L1507 PolarHBondContact O-N 3.46Å; V1503-A1520 HydrophobicContact CG1-CB 4.31Å; V1503-L1524 HydrophobicContact CG1-CD1 4.21Å; V1503-L1524 HydrophobicContact CG1-CD2 4.48Å; V1503-L1524 HydrophobicContact CG1-CG 4.47Å |
| 1504 | A | 38.6 | Very low | 35.8 | Very low | 51 Ų | 51 | 86.8 Ų | 86.8 | 42% | 0.421 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1500 M1506 L1507 V1508 | Q1500-A1504 WeakPolarHBondContact O-CB 3.23Å; Q1500-A1504 PolarHBondContact O-N 3.45Å; A1504-M1506 PolarHBondContact O-N 3.5Å; A1504-L1507 PolarHBondContact O-N 3.31Å; A1504-V1508 VanDerWaalsContact O-CG2 3.31Å; A1504-V1508 WeakPolarHBondContact O-CG2 3.34Å; A1504-V1508 PolarHBondContact O-N 3.3Å |
| 1505 | G | 34.4 | Very low | 35.6 | Very low | 30 Ų | 30 | 91.6 Ų | 91.6 | 31% | 0.309 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K1501 Q1502 V1508 C1509 | K1501-G1505 PolarHBondContact O-N 3.11Å; Q1502-G1505 PolarHBondContact O-N 3.08Å; G1505-V1508 PolarHBondContact O-N 3.38Å; G1505-C1509 VanDerWaalsContact O-CB 3.32Å; G1505-C1509 WeakPolarHBondContact O-CB 3.34Å; G1505-C1509 PolarHBondContact O-N 2.96Å; G1505-C1509 PolarHBondContact O-SG 3.36Å; G1505-C1509 VanDerWaalsContact O-SG 3.4Å |
| 1506 | M | 32.8 | Very low | 35.4 | Very low | 112 Ų | 112 | 95.5 Ų | 95.5 | 55% | 0.552 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.8 | -40.4 | 174.5 | -87.7 | -172.8 | -64.2 | 0 | 0 | 112.9 | Q1502 V1503 A1504 V1508 G1510 | Q1502-M1506 PolarHBondContact O-N 3.17Å; V1503-M1506 HydrophobicContact CG2-CE 4.32Å; V1503-M1506 PolarHBondContact O-N 3.46Å; A1504-M1506 PolarHBondContact O-N 3.5Å; M1506-V1508 VanDerWaalsContact C-N 3.32Å; M1506-V1508 PolarHBondContact O-N 2.96Å; M1506-G1510 WeakPolarHBondContact O-CA 3.38Å; M1506-G1510 PolarHBondContact O-N 3.34Å |
| 1507 | L | 34 | Very low | 35.4 | Very low | 60 Ų | 60 | 92 Ų | 92 | 31% | 0.314 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.1 | -34.2 | 177 | -71.5 | 168.8 | 0 | 0 | 0 | 112.2 | V1503 A1504 N1517 A1520 | V1503-L1507 HydrophobicContact CG1-CD1 4.24Å; V1503-L1507 WeakPolarHBondContact O-CG 3.27Å; V1503-L1507 PolarHBondContact O-N 3.46Å; A1504-L1507 PolarHBondContact O-N 3.31Å; L1507-N1517 HydrophobicContact CD2-CB 3.76Å; L1507-A1520 HydrophobicContact CD2-CB 4.18Å |
| 1508 | V | 32.7 | Very low | 35.3 | Very low | 104 Ų | 104 | 91.9 Ų | 91.9 | 63% | 0.63 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -78 | -40.2 | 177.5 | 173 | 0 | 0 | 0 | 0 | 112.2 | A1504 G1505 M1506 | A1504-V1508 VanDerWaalsContact O-CG2 3.31Å; A1504-V1508 WeakPolarHBondContact O-CG2 3.34Å; A1504-V1508 PolarHBondContact O-N 3.3Å; G1505-V1508 PolarHBondContact O-N 3.38Å; M1506-V1508 VanDerWaalsContact C-N 3.32Å; M1506-V1508 PolarHBondContact O-N 2.96Å |
| 1509 | C | 32.3 | Very low | 35.1 | Very low | 109 Ų | 109 | 94.9 Ų | 94.9 | 74% | 0.736 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -75.6 | -24.3 | 177.2 | -71 | 0 | 0 | 0 | 0 | 112.6 | G1505 R1511 | G1505-C1509 VanDerWaalsContact O-CB 3.32Å; G1505-C1509 WeakPolarHBondContact O-CB 3.34Å; G1505-C1509 PolarHBondContact O-N 2.96Å; G1505-C1509 PolarHBondContact O-SG 3.36Å; G1505-C1509 VanDerWaalsContact O-SG 3.4Å; C1509-R1511 PolarHBondContact O-N 3.41Å |
| 1510 | G | 29.9 | Very low | 35.1 | Very low | 15 Ų | 15 | 95.1 Ų | 95.1 | 16% | 0.155 | 48% | 0.481 | C | S | . | . | trans | -76.7 | 29.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | M1506 S1512 D1513 N1517 | M1506-G1510 WeakPolarHBondContact O-CA 3.38Å; M1506-G1510 PolarHBondContact O-N 3.34Å; G1510-S1512 PolarHBondContact O-N 2.6Å; G1510-D1513 PolarHBondContact O-N 3.32Å; G1510-N1517 PolarHBondContact O-ND2 3.38Å | ||
| 1511 | R | 28.7 | Very low | 35.2 | Very low | 227 Ų | 227 | 92.7 Ų | 92.7 | 86% | 0.857 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -22.5 | -178.3 | -86.7 | -172.9 | 179.1 | -171 | -0.4 | 114.5 | C1509 | C1509-R1511 PolarHBondContact O-N 3.41Š|
| 1512 | S | 28.7 | Very low | 35.2 | Very low | 116 Ų | 116 | 89.6 Ų | 89.6 | 81% | 0.811 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | -14.8 | -173.3 | 51.3 | 0 | 0 | 0 | 0 | 116 | G1510 | G1510-S1512 PolarHBondContact O-N 2.6Š|
| 1513 | D | 29.3 | Very low | 35.4 | Very low | 78 Ų | 78 | 86.8 Ų | 86.8 | 42% | 0.417 | 45% | 0.447 | S | S | . | . | trans | -127.3 | 78.9 | -175.3 | -151.4 | -16.4 | 0 | 0 | 0 | 112.4 | G1510 R1515 L1516 | G1510-D1513 PolarHBondContact O-N 3.32Å; D1513-R1515 PolarHBondContact O-N 3.45Å; D1513-L1516 PolarHBondContact O-N 3.16Å; D1513-L1516 VanDerWaalsContact O-N 3.16Å | ||
| 1514 | M | 32 | Very low | 35.4 | Very low | 126 Ų | 126 | 87.9 Ų | 87.9 | 62% | 0.621 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -51.2 | -19.6 | -175.6 | -72.5 | -94.5 | 126.6 | 0 | 0 | 114.7 | N1517 W1518 | M1514-N1517 PolarHBondContact O-N 3.06Å; M1514-W1518 VanDerWaalsContact O-CD1 3.28Å; M1514-W1518 PolarHBondContact O-N 3.46Å |
| 1515 | R | 32.6 | Very low | 35.6 | Very low | 158 Ų | 158 | 88 Ų | 88 | 60% | 0.596 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -68.4 | -34.6 | -180 | -58.9 | 179.7 | -156.1 | 165.6 | 11.5 | 113 | D1513 W1518 Y1519 | D1513-R1515 PolarHBondContact O-N 3.45Å; R1515-W1518 WeakPolarHBondContact O-CB 3.23Å; R1515-W1518 PolarHBondContact O-N 3.21Å; R1515-Y1519 WeakPolarHBondContact O-CD2 3.38Å; R1515-Y1519 PolarHBondContact O-N 2.72Å |
| 1516 | L | 32.7 | Very low | 36 | Very low | 111 Ų | 111 | 95.2 Ų | 95.2 | 58% | 0.581 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -70.9 | -36.2 | 178 | -81.7 | 156.7 | 0 | 0 | 0 | 111.4 | D1513 W1518 Y1519 A1520 | D1513-L1516 PolarHBondContact O-N 3.16Å; D1513-L1516 VanDerWaalsContact O-N 3.16Å; L1516-W1518 VanDerWaalsContact C-N 3.26Å; L1516-W1518 PolarHBondContact O-N 3.14Å; L1516-Y1519 PolarHBondContact O-N 2.86Å; L1516-A1520 PolarHBondContact O-N 3.39Å |
| 1517 | N | 39.6 | Very low | 36.5 | Very low | 22 Ų | 22 | 94 Ų | 94 | 12% | 0.118 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63.1 | -34.8 | 175 | -60.1 | -16.5 | 0 | 0 | 0 | 111.3 | L1507 G1510 M1514 A1520 I1521 | L1507-N1517 HydrophobicContact CD2-CB 3.76Å; G1510-N1517 PolarHBondContact O-ND2 3.38Å; M1514-N1517 PolarHBondContact O-N 3.06Å; N1517-A1520 PolarHBondContact O-N 3.49Å; N1517-I1521 WeakPolarHBondContact O-CB 3.32Å; N1517-I1521 WeakPolarHBondContact O-CD1 3.36Å; N1517-I1521 WeakPolarHBondContact O-CG1 3.38Å; N1517-I1521 PolarHBondContact O-N 3.02Å |
| 1518 | W | 36 | Very low | 36.7 | Very low | 125 Ų | 125 | 98 Ų | 98 | 47% | 0.473 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 173.4 | -91.8 | 98.1 | 0 | 0 | 0 | 113.4 | M1514 R1515 L1516 A1520 I1521 D1522 Y1545 | M1514-W1518 VanDerWaalsContact O-CD1 3.28Å; M1514-W1518 PolarHBondContact O-N 3.46Å; R1515-W1518 WeakPolarHBondContact O-CB 3.23Å; R1515-W1518 PolarHBondContact O-N 3.21Å; L1516-W1518 VanDerWaalsContact C-N 3.26Å; L1516-W1518 PolarHBondContact O-N 3.14Å; W1518-A1520 VanDerWaalsContact C-N 3.35Å; W1518-I1521 PolarHBondContact O-N 3.15Å; W1518-D1522 PolarHBondContact O-N 3.11Å; W1518-Y1545 HydrophobicContact CH2-CD1 4.33Å; W1518-Y1545 HydrophobicContact CZ2-CD1 4.03Å; W1518-Y1545 HydrophobicContact CZ2-CE1 4.12Å |
| 1519 | Y | 40.3 | Very low | 37.1 | Very low | 176 Ų | 176 | 95.5 Ų | 95.5 | 69% | 0.69 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.5 | -36.5 | 178.1 | -70.8 | -68 | 0 | 0 | 0 | 112 | R1515 L1516 F1523 | R1515-Y1519 WeakPolarHBondContact O-CD2 3.38Å; R1515-Y1519 PolarHBondContact O-N 2.72Å; L1516-Y1519 PolarHBondContact O-N 2.86Å; Y1519-F1523 VanDerWaalsContact O-CB 3.26Å; Y1519-F1523 WeakPolarHBondContact O-CB 3.24Å; Y1519-F1523 PolarHBondContact O-N 3.04Å |
| 1520 | A | 41.6 | Very low | 37.5 | Very low | 16 Ų | 16 | 91.3 Ų | 91.3 | 13% | 0.132 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1503 L1507 L1516 N1517 W1518 F1523 L1524 | V1503-A1520 HydrophobicContact CG1-CB 4.31Å; L1507-A1520 HydrophobicContact CD2-CB 4.18Å; L1516-A1520 PolarHBondContact O-N 3.39Å; N1517-A1520 PolarHBondContact O-N 3.49Å; W1518-A1520 VanDerWaalsContact C-N 3.35Å; A1520-F1523 WeakPolarHBondContact O-CB 3.33Å; A1520-F1523 PolarHBondContact O-N 2.64Å; A1520-L1524 WeakPolarHBondContact O-CG 3.36Å; A1520-L1524 PolarHBondContact O-N 3.23Å |
| 1521 | I | 42 | Very low | 37.9 | Very low | 65 Ų | 65 | 97.5 Ų | 97.5 | 33% | 0.333 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.4 | -43.7 | 177.7 | -69 | 165.4 | 0 | 0 | 0 | 111.2 | N1517 W1518 F1523 L1524 I1525 T1538 | N1517-I1521 WeakPolarHBondContact O-CB 3.32Å; N1517-I1521 WeakPolarHBondContact O-CD1 3.36Å; N1517-I1521 WeakPolarHBondContact O-CG1 3.38Å; N1517-I1521 PolarHBondContact O-N 3.02Å; W1518-I1521 PolarHBondContact O-N 3.15Å; I1521-F1523 VanDerWaalsContact C-N 3.3Å; I1521-F1523 PolarHBondContact O-N 3.39Å; I1521-L1524 PolarHBondContact O-N 3.31Å; I1521-I1525 HydrophobicContact CG2-CD1 4Å; I1521-I1525 VanDerWaalsContact O-CG1 3.31Å; I1521-I1525 WeakPolarHBondContact O-CG1 3.38Å; I1521-I1525 PolarHBondContact O-N 3.42Å; I1521-I1525 VanDerWaalsContact O-N 3.16Å; I1521-T1538 HydrophobicContact CG2-CG2 3.83Å |
| 1522 | D | 41.9 | Very low | 38.3 | Very low | 65 Ų | 65 | 90.5 Ų | 90.5 | 35% | 0.348 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62 | -38 | 175 | -170.7 | 51.5 | 0 | 0 | 0 | 111.5 | W1518 I1525 R1526 | W1518-D1522 PolarHBondContact O-N 3.11Å; D1522-I1525 PolarHBondContact O-N 3.22Å; D1522-R1526 WeakPolarHBondContact O-CB 3.46Å; D1522-R1526 VanDerWaalsContact O-CG 3.27Å; D1522-R1526 WeakPolarHBondContact O-CG 3.33Å; D1522-R1526 PolarHBondContact O-N 3.41Å; D1522-R1526 IonicContact OD1-CZ 3.51Å; D1522-R1526 IonicContact OD1-NE 3.01Å; D1522-R1526 PolarHBondContact OD1-NE 2.81Å; D1522-R1526 IonicContact OD1-NH2 3.39Å; D1522-R1526 IonicContact OD2-CZ 3.65Å; D1522-R1526 IonicContact OD2-NE 3.9Å; D1522-R1526 PolarHBondContact OD2-NE 3.33Å; D1522-R1526 IonicContact OD2-NH2 2.83Å; D1522-R1526 PolarHBondContact OD2-NH2 2.91Å |
| 1523 | F | 42.7 | Very low | 38.6 | Very low | 37 Ų | 37 | 91.4 Ų | 91.4 | 16% | 0.162 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 174.4 | 176.2 | -94.5 | 0 | 0 | 0 | 113.1 | T1487 Y1519 A1520 I1521 I1525 N1527 L1529 | T1487-F1523 HydrophobicContact CG2-CE2 4.19Å; T1487-F1523 HydrophobicContact CG2-CZ 4.27Å; Y1519-F1523 VanDerWaalsContact O-CB 3.26Å; Y1519-F1523 WeakPolarHBondContact O-CB 3.24Å; Y1519-F1523 PolarHBondContact O-N 3.04Å; A1520-F1523 WeakPolarHBondContact O-CB 3.33Å; A1520-F1523 PolarHBondContact O-N 2.64Å; I1521-F1523 VanDerWaalsContact C-N 3.3Å; I1521-F1523 PolarHBondContact O-N 3.39Å; F1523-I1525 PolarHBondContact O-N 3.34Å; F1523-N1527 WeakPolarHBondContact CD2-ND2 3.37Å; F1523-N1527 VanDerWaalsContact CE2-ND2 3.33Å; F1523-N1527 WeakPolarHBondContact CE2-ND2 3.46Å; F1523-N1527 PolarHBondContact O-N 3.48Å; F1523-L1529 HydrophobicContact CE1-CD1 3.96Å; F1523-L1529 HydrophobicContact CZ-CD1 4.4Å |
| 1524 | L | 41.3 | Very low | 39 | Very low | 43 Ų | 43 | 89.9 Ų | 89.9 | 23% | 0.225 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 179.2 | -72.5 | 170.8 | 0 | 0 | 0 | 112.2 | V1503 A1520 I1521 M1528 L1529 | V1503-L1524 HydrophobicContact CG1-CD1 4.21Å; V1503-L1524 HydrophobicContact CG1-CD2 4.48Å; V1503-L1524 HydrophobicContact CG1-CG 4.47Å; A1520-L1524 WeakPolarHBondContact O-CG 3.36Å; A1520-L1524 PolarHBondContact O-N 3.23Å; I1521-L1524 PolarHBondContact O-N 3.31Å; L1524-M1528 PolarHBondContact O-N 3.31Å; L1524-L1529 HydrophobicContact CD2-CB 4.21Å; L1524-L1529 PolarHBondContact O-N 2.83Å |
| 1525 | I | 41.9 | Very low | 39.3 | Very low | 54 Ų | 54 | 85.6 Ų | 85.6 | 28% | 0.277 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -71.2 | -45.6 | 178.7 | -63 | 167.9 | 0 | 0 | 0 | 110.9 | I1521 D1522 F1523 N1527 T1538 L1542 | I1521-I1525 HydrophobicContact CG2-CD1 4Å; I1521-I1525 VanDerWaalsContact O-CG1 3.31Å; I1521-I1525 WeakPolarHBondContact O-CG1 3.38Å; I1521-I1525 PolarHBondContact O-N 3.42Å; I1521-I1525 VanDerWaalsContact O-N 3.16Å; D1522-I1525 PolarHBondContact O-N 3.22Å; F1523-I1525 PolarHBondContact O-N 3.34Å; I1525-N1527 VanDerWaalsContact C-N 3.33Å; I1525-N1527 PolarHBondContact O-N 3.36Å; I1525-T1538 HydrophobicContact CD1-CG2 3.49Å; I1525-T1538 VanDerWaalsContact CD1-CG2 3.49Å; I1525-T1538 HydrophobicContact CG1-CG2 4.15Å; I1525-L1542 HydrophobicContact CD1-CD1 4.47Å |
| 1526 | R | 43.3 | Very low | 39.6 | Very low | 180 Ų | 180 | 81 Ų | 81 | 68% | 0.679 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -69.2 | -30.7 | -174.4 | -75.3 | -179.8 | -175.9 | -132.1 | 8.4 | 113.3 | D1522 | D1522-R1526 WeakPolarHBondContact O-CB 3.46Å; D1522-R1526 VanDerWaalsContact O-CG 3.27Å; D1522-R1526 WeakPolarHBondContact O-CG 3.33Å; D1522-R1526 PolarHBondContact O-N 3.41Å; D1522-R1526 IonicContact OD1-CZ 3.51Å; D1522-R1526 IonicContact OD1-NE 3.01Å; D1522-R1526 PolarHBondContact OD1-NE 2.81Å; D1522-R1526 IonicContact OD1-NH2 3.39Å; D1522-R1526 IonicContact OD2-CZ 3.65Å; D1522-R1526 IonicContact OD2-NE 3.9Å; D1522-R1526 PolarHBondContact OD2-NE 3.33Å; D1522-R1526 IonicContact OD2-NH2 2.83Å; D1522-R1526 PolarHBondContact OD2-NH2 2.91Å |
| 1527 | N | 43.2 | Very low | 39.8 | Very low | 86 Ų | 86 | 80 Ų | 80 | 46% | 0.46 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 13.3 | -177 | -66.9 | -40.6 | 0 | 0 | 0 | 114 | F1523 I1525 L1529 | F1523-N1527 WeakPolarHBondContact CD2-ND2 3.37Å; F1523-N1527 VanDerWaalsContact CE2-ND2 3.33Å; F1523-N1527 WeakPolarHBondContact CE2-ND2 3.46Å; F1523-N1527 PolarHBondContact O-N 3.48Å; I1525-N1527 VanDerWaalsContact C-N 3.33Å; I1525-N1527 PolarHBondContact O-N 3.36Å; N1527-L1529 HydrophobicContact CB-CD1 4.34Å; N1527-L1529 HydrophobicContact CB-CG 4.37Å; N1527-L1529 PolarHBondContact O-N 3.33Å |
| 1528 | M | 38.1 | Very low | 39.7 | Very low | 145 Ų | 145 | 80.8 Ų | 80.8 | 71% | 0.714 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 28.5 | 175.4 | -63.9 | -85.1 | -69.1 | 0 | 0 | 113.4 | L1524 A1530 I1535 | L1524-M1528 PolarHBondContact O-N 3.31Å; M1528-A1530 PolarHBondContact O-N 2.76Å; M1528-I1535 HydrophobicContact SD-CD1 3.91Å |
| 1529 | L | 41.4 | Very low | 39.7 | Very low | 52 Ų | 52 | 82.2 Ų | 82.2 | 27% | 0.272 | 43% | 0.431 | S | S | . | . | trans | -83 | -0.2 | 175.3 | -69.6 | 170.8 | 0 | 0 | 0 | 112 | F1523 L1524 N1527 | F1523-L1529 HydrophobicContact CE1-CD1 3.96Å; F1523-L1529 HydrophobicContact CZ-CD1 4.4Å; L1524-L1529 HydrophobicContact CD2-CB 4.21Å; L1524-L1529 PolarHBondContact O-N 2.83Å; N1527-L1529 HydrophobicContact CB-CD1 4.34Å; N1527-L1529 HydrophobicContact CB-CG 4.37Å; N1527-L1529 PolarHBondContact O-N 3.33Å | ||
| 1530 | A | 39.7 | Very low | 39.4 | Very low | 21 Ų | 21 | 80 Ų | 80 | 17% | 0.174 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -113.6 | 123.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | M1528 A1534 I1535 | M1528-A1530 PolarHBondContact O-N 2.76Å; A1530-A1534 HydrophobicContact CB-CB 3.98Å; A1530-I1535 WeakPolarHBondContact O-CD1 3.38Å |
| 1531 | D | 38.4 | Very low | 38.9 | Very low | 144 Ų | 144 | 84.6 Ų | 84.6 | 77% | 0.77 | 45% | 0.448 | S | S | * | . | trans | -67.3 | 161.2 | -178.1 | -146 | -15 | 0 | 0 | 0 | 111.5 | D1533 A1534 I1535 | D1531-D1533 PolarHBondContact O-N 2.93Å; D1531-A1534 WeakPolarHBondContact O-CB 3.27Å; D1531-A1534 PolarHBondContact O-N 3.12Å; D1531-I1535 PolarHBondContact O-N 3.16Å | ||
| 1532 | S | 37.7 | Very low | 38.3 | Very low | 80 Ų | 80 | 84.4 Ų | 84.4 | 56% | 0.559 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -45.4 | -38.2 | -167.6 | 171.1 | 0 | 0 | 0 | 0 | 115.1 | I1535 A1536 | S1532-I1535 PolarHBondContact O-N 3.43Å; S1532-A1536 PolarHBondContact O-N 3.18Å |
| 1533 | D | 35.9 | Very low | 37.7 | Very low | 135 Ų | 135 | 91 Ų | 91 | 72% | 0.722 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -71.1 | -32.8 | -178.1 | -65.2 | -23 | 0 | 0 | 0 | 112.4 | D1531 A1536 V1537 | D1531-D1533 PolarHBondContact O-N 2.93Å; D1533-A1536 PolarHBondContact O-N 3.45Å; D1533-V1537 PolarHBondContact O-N 3.03Å |
| 1534 | A | 37.2 | Very low | 37.1 | Very low | 46 Ų | 46 | 94.1 Ų | 94.1 | 38% | 0.38 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.9 | -33.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1530 D1531 T1538 | A1530-A1534 HydrophobicContact CB-CB 3.98Å; D1531-A1534 WeakPolarHBondContact O-CB 3.27Å; D1531-A1534 PolarHBondContact O-N 3.12Å; A1534-T1538 WeakPolarHBondContact O-CB 3.35Å; A1534-T1538 PolarHBondContact O-N 3.46Å; A1534-T1538 VanDerWaalsContact O-N 3.08Å; A1534-T1538 PolarHBondContact O-OG1 2.91Å |
| 1535 | I | 37.1 | Very low | 36.5 | Very low | 36 Ų | 36 | 99.5 Ų | 99.5 | 19% | 0.185 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 176.4 | -62.7 | 175.3 | 0 | 0 | 0 | 111.1 | M1528 A1530 D1531 S1532 K1539 | M1528-I1535 HydrophobicContact SD-CD1 3.91Å; A1530-I1535 WeakPolarHBondContact O-CD1 3.38Å; D1531-I1535 PolarHBondContact O-N 3.16Å; S1532-I1535 PolarHBondContact O-N 3.43Å; I1535-K1539 WeakPolarHBondContact O-CB 3.41Å; I1535-K1539 PolarHBondContact O-N 2.84Å |
| 1536 | A | 40.1 | Very low | 35.7 | Very low | 62 Ų | 62 | 102.7 Ų | 102.7 | 51% | 0.512 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.2 | -45.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1532 D1533 K1539 H1540 | S1532-A1536 PolarHBondContact O-N 3.18Å; D1533-A1536 PolarHBondContact O-N 3.45Å; A1536-K1539 PolarHBondContact O-N 3.4Å; A1536-H1540 PolarHBondContact O-N 3.18Å; A1536-H1540 VanDerWaalsContact O-N 3.1Å |
| 1537 | V | 37.6 | Very low | 35.3 | Very low | 91 Ų | 91 | 99.3 Ų | 99.3 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.9 | -42.9 | 177.9 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | D1533 K1539 H1540 L1541 | D1533-V1537 PolarHBondContact O-N 3.03Å; V1537-K1539 PolarHBondContact O-N 3.05Å; V1537-H1540 PolarHBondContact O-N 3.44Å; V1537-H1540 VanDerWaalsContact O-N 3.16Å; V1537-L1541 HydrophobicContact CG1-CD1 4.12Å; V1537-L1541 PolarHBondContact O-N 3.14Å |
| 1538 | T | 35.8 | Very low | 34.8 | Very low | 38 Ų | 38 | 102.3 Ų | 102.3 | 23% | 0.233 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -69.1 | -36.1 | -179.1 | -44.1 | 0 | 0 | 0 | 0 | 112.1 | I1521 I1525 A1534 H1540 L1541 L1542 | I1521-T1538 HydrophobicContact CG2-CG2 3.83Å; I1525-T1538 HydrophobicContact CD1-CG2 3.49Å; I1525-T1538 VanDerWaalsContact CD1-CG2 3.49Å; I1525-T1538 HydrophobicContact CG1-CG2 4.15Å; A1534-T1538 WeakPolarHBondContact O-CB 3.35Å; A1534-T1538 PolarHBondContact O-N 3.46Å; A1534-T1538 VanDerWaalsContact O-N 3.08Å; A1534-T1538 PolarHBondContact O-OG1 2.91Å; T1538-H1540 VanDerWaalsContact C-N 3.34Å; T1538-H1540 PolarHBondContact O-N 3.19Å; T1538-L1541 PolarHBondContact O-N 2.98Å; T1538-L1542 HydrophobicContact CG2-CD1 4.47Å; T1538-L1542 WeakPolarHBondContact O-CB 3.41Å; T1538-L1542 PolarHBondContact O-N 3.3Å |
| 1539 | K | 36.2 | Very low | 34.3 | Very low | 155 Ų | 155 | 104.1 Ų | 104.1 | 67% | 0.674 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.6 | -37.1 | 170.5 | -101.6 | 179.8 | 175.3 | 170.4 | 0 | 112.7 | I1535 A1536 V1537 R1543 | I1535-K1539 WeakPolarHBondContact O-CB 3.41Å; I1535-K1539 PolarHBondContact O-N 2.84Å; A1536-K1539 PolarHBondContact O-N 3.4Å; V1537-K1539 PolarHBondContact O-N 3.05Å; K1539-R1543 WeakPolarHBondContact O-CB 3.19Å; K1539-R1543 PolarHBondContact O-N 2.81Å; K1539-R1543 VanDerWaalsContact O-N 3.12Å |
| 1540 | H | 33.3 | Very low | 33.8 | Very low | 130 Ų | 130 | 108.8 Ų | 108.8 | 60% | 0.602 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69 | -42.1 | 179.3 | -152.1 | 72.4 | 0 | 0 | 0 | 111.3 | A1536 V1537 T1538 R1543 L1544 | A1536-H1540 PolarHBondContact O-N 3.18Å; A1536-H1540 VanDerWaalsContact O-N 3.1Å; V1537-H1540 PolarHBondContact O-N 3.44Å; V1537-H1540 VanDerWaalsContact O-N 3.16Å; T1538-H1540 VanDerWaalsContact C-N 3.34Å; T1538-H1540 PolarHBondContact O-N 3.19Å; H1540-R1543 PolarHBondContact O-N 2.85Å; H1540-L1544 PolarHBondContact O-N 3.33Å; H1540-L1544 VanDerWaalsContact O-N 3.16Å |
| 1541 | L | 32.7 | Very low | 33.1 | Very low | 111 Ų | 111 | 113.9 Ų | 113.9 | 58% | 0.581 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64 | -41.6 | 174 | -78.1 | 163.1 | 0 | 0 | 0 | 112.6 | V1537 T1538 R1543 L1544 Y1545 | V1537-L1541 HydrophobicContact CG1-CD1 4.12Å; V1537-L1541 PolarHBondContact O-N 3.14Å; T1538-L1541 PolarHBondContact O-N 2.98Å; L1541-R1543 VanDerWaalsContact C-N 3.32Å; L1541-R1543 PolarHBondContact O-N 3.16Å; L1541-L1544 PolarHBondContact O-N 3.18Å; L1541-Y1545 PolarHBondContact O-N 3.3Å; L1541-Y1545 VanDerWaalsContact O-N 3.12Å |
| 1542 | L | 29.3 | Very low | 32.7 | Very low | 62 Ų | 62 | 110.4 Ų | 110.4 | 33% | 0.325 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.7 | -37 | 177.1 | -120.5 | 99.7 | 0 | 0 | 0 | 112.6 | I1525 T1538 Y1545 L1546 | I1525-L1542 HydrophobicContact CD1-CD1 4.47Å; T1538-L1542 HydrophobicContact CG2-CD1 4.47Å; T1538-L1542 WeakPolarHBondContact O-CB 3.41Å; T1538-L1542 PolarHBondContact O-N 3.3Å; L1542-Y1545 PolarHBondContact O-N 2.76Å; L1542-L1546 HydrophobicContact CD2-CD1 3.75Å; L1542-L1546 HydrophobicContact CG-CD1 4.28Å; L1542-L1546 PolarHBondContact O-N 3.38Å |
| 1543 | R | 28.7 | Very low | 32.4 | Very low | 202 Ų | 202 | 111 Ų | 111 | 76% | 0.762 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -71.7 | -35.3 | -179.4 | -150.1 | 178.7 | -168.5 | -176.6 | 2.3 | 112 | K1539 H1540 L1541 Y1545 | K1539-R1543 WeakPolarHBondContact O-CB 3.19Å; K1539-R1543 PolarHBondContact O-N 2.81Å; K1539-R1543 VanDerWaalsContact O-N 3.12Å; H1540-R1543 PolarHBondContact O-N 2.85Å; L1541-R1543 VanDerWaalsContact C-N 3.32Å; L1541-R1543 PolarHBondContact O-N 3.16Å; R1543-Y1545 VanDerWaalsContact C-N 3.34Å |
| 1544 | L | 30.2 | Very low | 32.1 | Very low | 104 Ų | 104 | 112 Ų | 112 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69 | -31.1 | 173.7 | -78.7 | 162.1 | 0 | 0 | 0 | 112.4 | H1540 L1541 | H1540-L1544 PolarHBondContact O-N 3.33Å; H1540-L1544 VanDerWaalsContact O-N 3.16Å; L1541-L1544 PolarHBondContact O-N 3.18Å |
| 1545 | Y | 27.7 | Very low | 31.7 | Very low | 155 Ų | 155 | 112 Ų | 112 | 61% | 0.608 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -91.9 | -38.2 | -174.1 | -155.9 | -96.6 | 0 | 0 | 0 | 114.7 | W1518 L1541 L1542 R1543 | W1518-Y1545 HydrophobicContact CH2-CD1 4.33Å; W1518-Y1545 HydrophobicContact CZ2-CD1 4.03Å; W1518-Y1545 HydrophobicContact CZ2-CE1 4.12Å; L1541-Y1545 PolarHBondContact O-N 3.3Å; L1541-Y1545 VanDerWaalsContact O-N 3.12Å; L1542-Y1545 PolarHBondContact O-N 2.76Å; R1543-Y1545 VanDerWaalsContact C-N 3.34Å |
| 1546 | L | 25.9 | Very low | 31.2 | Very low | 122 Ų | 122 | 117.6 Ų | 117.6 | 64% | 0.639 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -78.7 | -20.7 | -175 | -82.6 | 167 | 0 | 0 | 0 | 114.6 | L1542 | L1542-L1546 HydrophobicContact CD2-CD1 3.75Å; L1542-L1546 HydrophobicContact CG-CD1 4.28Å; L1542-L1546 PolarHBondContact O-N 3.38Å |
| 1547 | V | 34.9 | Very low | 31 | Very low | 109 Ų | 109 | 116.8 Ų | 116.8 | 66% | 0.661 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -97.7 | -29.6 | -176.1 | -177 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1548 | E | 32.2 | Very low | 30.8 | Very low | 149 Ų | 149 | 118.9 Ų | 118.9 | 70% | 0.696 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -132 | 45.4 | -160.7 | -62.9 | -171.4 | 165.9 | 0 | 0 | 116.2 | K1550 | E1548-K1550 PolarHBondContact O-N 3.4Å; E1548-K1550 VanDerWaalsContact O-N 3.13Å |
| 1549 | R | 28.8 | Very low | 30.7 | Very low | 182 Ų | 182 | 120.1 Ų | 120.1 | 69% | 0.687 | 59% | 0.592 | S | S | * | * | trans | -16.8 | 107.7 | 167 | -69.9 | -176.7 | 172.5 | -164.8 | -2.5 | 116.3 | N1065 | N1065-R1549 PolarHBondContact ND2-NH2 2.7Å; N1065-R1549 PolarHBondContact OD1-NH1 3.36Å | ||
| 1550 | K | 30.3 | Very low | 30.6 | Very low | 151 Ų | 151 | 114.9 Ų | 114.9 | 66% | 0.657 | 57% | 0.571 | S | S | * | * | trans | 154.6 | 98.8 | 134 | -84.5 | 168.9 | -178.9 | -102.9 | 0 | 111.6 | D1067 E1548 R1873 | D1067-K1550 IonicContact OD2-NZ 2.75Å; D1067-K1550 PolarHBondContact OD2-NZ 3.26Å; E1548-K1550 PolarHBondContact O-N 3.4Å; E1548-K1550 VanDerWaalsContact O-N 3.13Å; K1550-R1873 PolarHBondContact O-NH1 3.2Å | ||
| 1551 | L | 25 | Very low | 30.6 | Very low | 128 Ų | 128 | 116 Ų | 116 | 67% | 0.67 | 57% | 0.57 | S | S | * | * | trans | -125 | 104 | 176.7 | -137.9 | 122.3 | 0 | 0 | 0 | 111.6 | ||||
| 1552 | P | 29.7 | Very low | 30.8 | Very low | 70 Ų | 70 | 114.6 Ų | 114.6 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | trans | -77.5 | 152.3 | 165.2 | 26 | -33.3 | 0 | 0 | 0 | 112.5 | N1554 R1873 | P1552-N1554 VanDerWaalsContact C-N 3.29Å; P1552-N1554 PolarHBondContact O-N 3.13Å; P1552-R1873 PolarHBondContact O-NH2 3.21Å | ||
| 1553 | A | 31 | Very low | 31.1 | Very low | 92 Ų | 92 | 117.1 Ų | 117.1 | 76% | 0.76 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -63.4 | -4.3 | -156.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | L1555 | A1553-L1555 VanDerWaalsContact C-N 3.34Å; A1553-L1555 PolarHBondContact O-N 3.25Å |
| 1554 | N | 30.1 | Very low | 31.4 | Very low | 158 Ų | 158 | 109.9 Ų | 109.9 | 85% | 0.845 | 56% | 0.555 | S | S | * | * | trans | -94.8 | 32.2 | -165.5 | -56.9 | -2.7 | 0 | 0 | 0 | 113.9 | P1552 | P1552-N1554 VanDerWaalsContact C-N 3.29Å; P1552-N1554 PolarHBondContact O-N 3.13Å | ||
| 1555 | L | 28.5 | Very low | 31.5 | Very low | 45 Ų | 45 | 108.9 Ų | 108.9 | 24% | 0.236 | 55% | 0.549 | C | S | . | . | trans | -131.8 | 19.2 | -165.3 | -120.8 | 140 | 0 | 0 | 0 | 117.6 | A1553 | A1553-L1555 VanDerWaalsContact C-N 3.34Å; A1553-L1555 PolarHBondContact O-N 3.25Å | ||
| 1556 | F | 26.9 | Very low | 31.9 | Very low | 154 Ų | 154 | 103.2 Ų | 103.2 | 68% | 0.675 | 54% | 0.537 | S | S | * | . | trans | -96.1 | 113.2 | 157.3 | -71 | -74.7 | 0 | 0 | 0 | 108.6 | D1560 | F1556-D1560 HydrophobicContact CD1-CB 4.35Š| ||
| 1557 | T | 36.4 | Very low | 32.2 | Very low | 44 Ų | 44 | 103.8 Ų | 103.8 | 27% | 0.27 | 54% | 0.538 | S | S | . | . | trans | -77.5 | 144.5 | 163.8 | 48.8 | 0 | 0 | 0 | 0 | 108.4 | S1559 D1560 | T1557-S1559 PolarHBondContact O-N 2.78Å; T1557-D1560 PolarHBondContact N-OD2 3.16Å; T1557-D1560 VanDerWaalsContact N-OD2 3.12Å; T1557-D1560 WeakPolarHBondContact O-CB 3.24Å; T1557-D1560 PolarHBondContact O-N 3.29Å; T1557-D1560 PolarHBondContact OG1-OD2 3.17Å | ||
| 1558 | E | 33.1 | Very low | 32 | Very low | 136 Ų | 136 | 103.9 Ų | 103.9 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -52.6 | -29.4 | -174.5 | -168.3 | 179.3 | 179.1 | 0 | 0 | 113.1 | D1560 W1561 M1562 | E1558-D1560 PolarHBondContact O-N 2.91Å; E1558-W1561 PolarHBondContact O-N 3.49Å; E1558-M1562 HydrophobicContact CG-CG 4.32Å; E1558-M1562 WeakPolarHBondContact O-CB 3.46Å; E1558-M1562 WeakPolarHBondContact O-CG 3.45Å; E1558-M1562 PolarHBondContact O-N 3.19Å |
| 1559 | S | 34.3 | Very low | 32 | Very low | 64 Ų | 64 | 103.7 Ų | 103.7 | 45% | 0.448 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.2 | -37.2 | 173 | 62.2 | 0 | 0 | 0 | 0 | 113.6 | T1557 W1561 M1562 Q1563 | T1557-S1559 PolarHBondContact O-N 2.78Å; S1559-W1561 VanDerWaalsContact C-N 3.26Å; S1559-W1561 PolarHBondContact O-N 3.41Å; S1559-M1562 PolarHBondContact O-N 3Å; S1559-Q1563 VanDerWaalsContact O-CB 3.27Å; S1559-Q1563 WeakPolarHBondContact O-CB 3.27Å; S1559-Q1563 PolarHBondContact O-N 2.98Å |
| 1560 | D | 33.8 | Very low | 32.3 | Very low | 45 Ų | 45 | 98.8 Ų | 98.8 | 24% | 0.241 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -67.1 | -34.3 | 179.6 | -54.7 | -40.2 | 0 | 0 | 0 | 110.4 | F1556 T1557 E1558 A1564 | F1556-D1560 HydrophobicContact CD1-CB 4.35Å; T1557-D1560 PolarHBondContact N-OD2 3.16Å; T1557-D1560 VanDerWaalsContact N-OD2 3.12Å; T1557-D1560 WeakPolarHBondContact O-CB 3.24Å; T1557-D1560 PolarHBondContact O-N 3.29Å; T1557-D1560 PolarHBondContact OG1-OD2 3.17Å; E1558-D1560 PolarHBondContact O-N 2.91Å; D1560-A1564 WeakPolarHBondContact O-CB 3.3Å; D1560-A1564 PolarHBondContact O-N 2.85Å |
| 1561 | W | 34 | Very low | 32.2 | Very low | 154 Ų | 154 | 100.5 Ų | 100.5 | 58% | 0.583 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -74.6 | -44.5 | 175.3 | -120.7 | 117.4 | 0 | 0 | 0 | 111.7 | E1558 S1559 Q1563 A1564 M1565 | E1558-W1561 PolarHBondContact O-N 3.49Å; S1559-W1561 VanDerWaalsContact C-N 3.26Å; S1559-W1561 PolarHBondContact O-N 3.41Å; W1561-Q1563 VanDerWaalsContact C-N 3.35Å; W1561-Q1563 PolarHBondContact O-N 2.7Å; W1561-A1564 PolarHBondContact O-N 2.88Å; W1561-M1565 HydrophobicContact CE3-CG 3.52Å; W1561-M1565 HydrophobicContact CE3-SD 4.35Å; W1561-M1565 HydrophobicContact CZ3-CG 3.49Å; W1561-M1565 VanDerWaalsContact CZ3-CG 3.49Å; W1561-M1565 HydrophobicContact CZ3-SD 3.7Å; W1561-M1565 WeakPolarHBondContact O-CG 3.37Å; W1561-M1565 PolarHBondContact O-N 2.94Å |
| 1562 | M | 35.7 | Very low | 32.3 | Very low | 81 Ų | 81 | 97.1 Ų | 97.1 | 40% | 0.399 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.6 | -34.8 | -179.3 | -71.5 | -79.7 | -102.3 | 0 | 0 | 112.2 | E1558 S1559 M1565 G1566 F1704 | E1558-M1562 HydrophobicContact CG-CG 4.32Å; E1558-M1562 WeakPolarHBondContact O-CB 3.46Å; E1558-M1562 WeakPolarHBondContact O-CG 3.45Å; E1558-M1562 PolarHBondContact O-N 3.19Å; S1559-M1562 PolarHBondContact O-N 3Å; M1562-M1565 PolarHBondContact O-N 3.33Å; M1562-G1566 PolarHBondContact O-N 2.88Å; M1562-F1704 HydrophobicContact CE-CB 3.62Å; M1562-F1704 HydrophobicContact CE-CD1 3.33Å; M1562-F1704 HydrophobicContact CE-CE1 4.21Å; M1562-F1704 HydrophobicContact CE-CG 3.71Å |
| 1563 | Q | 35.1 | Very low | 32.2 | Very low | 115 Ų | 115 | 100.7 Ų | 100.7 | 54% | 0.537 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -72.6 | -36.2 | 177 | -154.8 | 170.1 | 21.4 | 0 | 0 | 111.8 | S1559 W1561 M1567 | S1559-Q1563 VanDerWaalsContact O-CB 3.27Å; S1559-Q1563 WeakPolarHBondContact O-CB 3.27Å; S1559-Q1563 PolarHBondContact O-N 2.98Å; W1561-Q1563 VanDerWaalsContact C-N 3.35Å; W1561-Q1563 PolarHBondContact O-N 2.7Å; Q1563-M1567 WeakPolarHBondContact O-CG 3.46Å; Q1563-M1567 PolarHBondContact O-N 3.13Å; Q1563-M1567 VanDerWaalsContact O-N 3.12Å |
| 1564 | A | 35.6 | Very low | 31.9 | Very low | 49 Ų | 49 | 101 Ų | 101 | 41% | 0.405 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | D1560 W1561 L1568 | D1560-A1564 WeakPolarHBondContact O-CB 3.3Å; D1560-A1564 PolarHBondContact O-N 2.85Å; W1561-A1564 PolarHBondContact O-N 2.88Å; A1564-L1568 PolarHBondContact O-N 3.48Å |
| 1565 | M | 33.2 | Very low | 31.8 | Very low | 84 Ų | 84 | 100.8 Ų | 100.8 | 41% | 0.414 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -73.3 | -36.8 | 176.3 | -76.5 | -66.5 | -72 | 0 | 0 | 113.3 | W1561 M1562 M1567 L1568 Q1569 | W1561-M1565 HydrophobicContact CE3-CG 3.52Å; W1561-M1565 HydrophobicContact CE3-SD 4.35Å; W1561-M1565 HydrophobicContact CZ3-CG 3.49Å; W1561-M1565 VanDerWaalsContact CZ3-CG 3.49Å; W1561-M1565 HydrophobicContact CZ3-SD 3.7Å; W1561-M1565 WeakPolarHBondContact O-CG 3.37Å; W1561-M1565 PolarHBondContact O-N 2.94Å; M1562-M1565 PolarHBondContact O-N 3.33Å; M1565-M1567 VanDerWaalsContact C-N 3.31Å; M1565-M1567 PolarHBondContact O-N 3.4Å; M1565-L1568 WeakPolarHBondContact O-CB 3.41Å; M1565-L1568 PolarHBondContact O-N 2.92Å; M1565-L1568 VanDerWaalsContact O-N 3.11Å; M1565-L1568 HydrophobicContact SD-CD1 4.19Å; M1565-Q1569 PolarHBondContact O-N 3.36Å |
| 1566 | G | 36.1 | Very low | 31.8 | Very low | 36 Ų | 36 | 106.9 Ų | 106.9 | 37% | 0.371 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.7 | -37.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1562 L1568 Q1569 A1570 | M1562-G1566 PolarHBondContact O-N 2.88Å; G1566-L1568 VanDerWaalsContact C-N 3.29Å; G1566-L1568 PolarHBondContact O-N 2.86Å; G1566-Q1569 PolarHBondContact O-N 3.24Å; G1566-A1570 PolarHBondContact O-N 2.95Å; G1566-A1570 VanDerWaalsContact O-N 3.15Å |
| 1567 | M | 32.3 | Very low | 31.8 | Very low | 133 Ų | 133 | 106.7 Ų | 106.7 | 66% | 0.655 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.3 | -29.4 | 173.2 | -73.9 | -173.1 | 172 | 0 | 0 | 112.7 | Q1563 M1565 F1571 | Q1563-M1567 WeakPolarHBondContact O-CG 3.46Å; Q1563-M1567 PolarHBondContact O-N 3.13Å; Q1563-M1567 VanDerWaalsContact O-N 3.12Å; M1565-M1567 VanDerWaalsContact C-N 3.31Å; M1565-M1567 PolarHBondContact O-N 3.4Å; M1567-F1571 WeakPolarHBondContact O-CD2 3.32Å |
| 1568 | L | 30.8 | Very low | 31.3 | Very low | 111 Ų | 111 | 111.8 Ų | 111.8 | 58% | 0.581 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -77.1 | -33.9 | 174.8 | -74.4 | 163.9 | 0 | 0 | 0 | 112.6 | A1564 M1565 G1566 F1571 | A1564-L1568 PolarHBondContact O-N 3.48Å; M1565-L1568 WeakPolarHBondContact O-CB 3.41Å; M1565-L1568 PolarHBondContact O-N 2.92Å; M1565-L1568 VanDerWaalsContact O-N 3.11Å; M1565-L1568 HydrophobicContact SD-CD1 4.19Å; G1566-L1568 VanDerWaalsContact C-N 3.29Å; G1566-L1568 PolarHBondContact O-N 2.86Å; L1568-F1571 PolarHBondContact O-N 3.19Å |
| 1569 | Q | 32 | Very low | 30.7 | Very low | 145 Ų | 145 | 115.1 Ų | 115.1 | 68% | 0.678 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.6 | -29.9 | 175.6 | -81.1 | -178.4 | -21.6 | 0 | 0 | 113.2 | M1565 G1566 F1571 G1572 | M1565-Q1569 PolarHBondContact O-N 3.36Å; G1566-Q1569 PolarHBondContact O-N 3.24Å; Q1569-F1571 PolarHBondContact O-N 2.89Å; Q1569-F1571 VanDerWaalsContact O-N 3.08Å; Q1569-G1572 PolarHBondContact O-N 3.49Å |
| 1570 | A | 34.7 | Very low | 30.2 | Very low | 80 Ų | 80 | 117.6 Ų | 117.6 | 66% | 0.661 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -14.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G1566 | G1566-A1570 PolarHBondContact O-N 2.95Å; G1566-A1570 VanDerWaalsContact O-N 3.15Å |
| 1571 | F | 28.9 | Very low | 29.7 | Very low | 186 Ų | 186 | 122.2 Ų | 122.2 | 82% | 0.816 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 29.4 | 178.6 | -74.9 | -74.9 | 0 | 0 | 0 | 114.6 | M1567 L1568 Q1569 | M1567-F1571 WeakPolarHBondContact O-CD2 3.32Å; L1568-F1571 PolarHBondContact O-N 3.19Å; Q1569-F1571 PolarHBondContact O-N 2.89Å; Q1569-F1571 VanDerWaalsContact O-N 3.08Å |
| 1572 | G | 26.4 | Very low | 29.3 | Very low | 57 Ų | 57 | 119.9 Ų | 119.9 | 59% | 0.588 | 67% | 0.67 | S | S | * | * | trans | 80.8 | 37.2 | 153.1 | 0 | 0 | 0 | 0 | 0 | 116 | Q1569 S1574 | Q1569-G1572 PolarHBondContact O-N 3.49Å; G1572-S1574 VanDerWaalsContact C-N 3.3Å; G1572-S1574 PolarHBondContact O-N 3.04Å | ||
| 1573 | L | 26.8 | Very low | 28.7 | Very low | 145 Ų | 145 | 124 Ų | 124 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | trans | -87.5 | 71.5 | 163.8 | -70 | 170.2 | 0 | 0 | 0 | 109.9 | ||||
| 1574 | S | 26.1 | Very low | 28.3 | Very low | 98 Ų | 98 | 122.7 Ų | 122.7 | 69% | 0.685 | 70% | 0.697 | S | S | * | * | trans | -114.5 | 91.7 | 166.9 | 47.3 | 0 | 0 | 0 | 0 | 108.6 | G1572 | G1572-S1574 VanDerWaalsContact C-N 3.3Å; G1572-S1574 PolarHBondContact O-N 3.04Å | ||
| 1575 | D | 28 | Very low | 28.1 | Very low | 154 Ų | 154 | 125.9 Ų | 125.9 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | trans | -114.2 | 78.4 | 152.8 | -89.4 | -34.9 | 0 | 0 | 0 | 106.2 | N1577 | D1575-N1577 PolarHBondContact O-N 3.4Š| ||
| 1576 | E | 27.6 | Very low | 27.7 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | trans | -61.4 | 107.2 | 155.7 | -72.1 | -164.5 | 158.8 | 0 | 0 | 106.9 | ||||
| 1577 | N | 26.4 | Very low | 27.3 | Very low | 149 Ų | 149 | 133.4 Ų | 133.4 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | 164.7 | 115.2 | 147.7 | -82.2 | -34.2 | 0 | 0 | 0 | 108.7 | D1575 | D1575-N1577 PolarHBondContact O-N 3.4Š| ||
| 1578 | N | 26.2 | Very low | 27 | Very low | 152 Ų | 152 | 135 Ų | 135 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | 125.2 | 37.6 | 163.9 | -63 | -18.1 | 0 | 0 | 0 | 116.7 | ||||
| 1579 | F | 21.5 | Very low | 26.6 | Very low | 205 Ų | 205 | 137.5 Ų | 137.5 | 90% | 0.899 | 76% | 0.759 | S | S | * | * | trans | -104.8 | 108 | 149.7 | -83.2 | -78.9 | 0 | 0 | 0 | 109.1 | T1581 | F1579-T1581 PolarHBondContact O-N 3.49Š| ||
| 1580 | P | 23.6 | Very low | 26.3 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | trans | -66.7 | 124.6 | 177.7 | 27.9 | -29.8 | 0 | 0 | 0 | 108.3 | S1582 | P1580-S1582 PolarHBondContact O-N 3.05Š| ||
| 1581 | T | 23.6 | Very low | 25.8 | Very low | 141 Ų | 141 | 146.2 Ų | 146.2 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | trans | -62.9 | 109.3 | 177.3 | 48.3 | 0 | 0 | 0 | 0 | 110.7 | F1579 | F1579-T1581 PolarHBondContact O-N 3.49Š| ||
| 1582 | S | 24.6 | Very low | 25.5 | Very low | 106 Ų | 106 | 145.5 Ų | 145.5 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -151.7 | 91.2 | 154.4 | 62 | 0 | 0 | 0 | 0 | 109.2 | P1580 S1584 | P1580-S1582 PolarHBondContact O-N 3.05Å; S1582-S1584 PolarHBondContact O-N 3.36Å | ||
| 1583 | D | 24.2 | Very low | 25.4 | Very low | 167 Ų | 167 | 150.7 Ų | 150.7 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | 36.6 | 81.7 | 149.6 | -58.5 | -28.4 | 0 | 0 | 0 | 117.3 | ||||
| 1584 | S | 26.8 | Very low | 25.3 | Very low | 88 Ų | 88 | 148.1 Ų | 148.1 | 62% | 0.615 | 78% | 0.782 | S | S | * | * | trans | -74.1 | 145.8 | 166.5 | 62.2 | 0 | 0 | 0 | 0 | 111.9 | S1582 F1586 | S1582-S1584 PolarHBondContact O-N 3.36Å; S1584-F1586 VanDerWaalsContact C-N 3.25Å; S1584-F1586 PolarHBondContact O-N 3.13Å | ||
| 1585 | P | 29.9 | Very low | 25.2 | Very low | 116 Ų | 116 | 149 Ų | 149 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -81.9 | 48.9 | -162.2 | 36.2 | -38.9 | 0 | 0 | 0 | 114 | ||
| 1586 | F | 24.3 | Very low | 25.1 | Very low | 172 Ų | 172 | 147 Ų | 147 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | -90.9 | -3.8 | 172.6 | -99.1 | -82.5 | 0 | 0 | 0 | 113.9 | S1584 | S1584-F1586 VanDerWaalsContact C-N 3.25Å; S1584-F1586 PolarHBondContact O-N 3.13Å | ||
| 1587 | T | 28.7 | Very low | 24.9 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 64% | 0.644 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -86 | -17.8 | -178.7 | -40.9 | 0 | 0 | 0 | 0 | 113.4 | R1590 | T1587-R1590 PolarHBondContact O-N 3.29Š|
| 1588 | E | 25.9 | Very low | 24.9 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -77.9 | -19.9 | -179.2 | -84.6 | -172.5 | 156.5 | 0 | 0 | 114.6 | R1590 | E1588-R1590 PolarHBondContact O-N 2.98Å; E1588-R1590 VanDerWaalsContact O-N 3.13Å |
| 1589 | M | 23.4 | Very low | 24.8 | Very low | 164 Ų | 164 | 145.2 Ų | 145.2 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -75 | 3.5 | 174.1 | -99.1 | -154.2 | -85.8 | 0 | 0 | 114.3 | ||
| 1590 | R | 25.3 | Very low | 24.8 | Very low | 214 Ų | 214 | 143.4 Ų | 143.4 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -95 | -2.3 | 176.9 | -128.2 | -179.1 | -167.1 | 165.8 | 5.3 | 115.3 | T1587 E1588 | T1587-R1590 PolarHBondContact O-N 3.29Å; E1588-R1590 PolarHBondContact O-N 2.98Å; E1588-R1590 VanDerWaalsContact O-N 3.13Å |
| 1591 | Y | 24.4 | Very low | 25 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | trans | -107.9 | 7 | -176.1 | -80.8 | -75.7 | 0 | 0 | 0 | 116.4 | Q1593 | Y1591-Q1593 PolarHBondContact O-N 3.08Š| ||
| 1592 | L | 22.6 | Very low | 25.1 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | -81.2 | 61.8 | 164.3 | -71 | 169.5 | 0 | 0 | 0 | 110.6 | ||||
| 1593 | Q | 23.9 | Very low | 25.1 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | -94.6 | 89.6 | 170.8 | -136 | 177.8 | 10 | 0 | 0 | 107.4 | Y1591 | Y1591-Q1593 PolarHBondContact O-N 3.08Š| ||
| 1594 | A | 23.6 | Very low | 25 | Very low | 90 Ų | 90 | 141 Ų | 141 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 123.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 1595 | P | 24.4 | Very low | 25 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 138.6 | -178.6 | 27.1 | -31 | 0 | 0 | 0 | 109.6 | ||
| 1596 | P | 25.8 | Very low | 25 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 141.2 | -173.6 | 28.5 | -32.5 | 0 | 0 | 0 | 110.9 | ||
| 1597 | P | 24.2 | Very low | 24.9 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 143 | -177.1 | 25.9 | -32.4 | 0 | 0 | 0 | 111.2 | F1599 | P1597-F1599 PolarHBondContact O-N 3.49Š|
| 1598 | P | 26 | Very low | 24.8 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 125.6 | -174.4 | 27.2 | -31.5 | 0 | 0 | 0 | 111.2 | L1600 | P1598-L1600 PolarHBondContact O-N 2.84Š|
| 1599 | F | 24.3 | Very low | 24.6 | Very low | 201 Ų | 201 | 139.2 Ų | 139.2 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 116.8 | 174.4 | -78.7 | -99.3 | 0 | 0 | 0 | 111.7 | P1597 | P1597-F1599 PolarHBondContact O-N 3.49Š|
| 1600 | L | 22.4 | Very low | 24.5 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 122.8 | 158 | -86.1 | 161.3 | 0 | 0 | 0 | 108.7 | P1598 | P1598-L1600 PolarHBondContact O-N 2.84Š|
| 1601 | P | 26 | Very low | 24.4 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 146.8 | -174.4 | 26.6 | -23.8 | 0 | 0 | 0 | 111.6 | V1603 | P1601-V1603 PolarHBondContact O-N 3.45Š|
| 1602 | P | 26.5 | Very low | 24.2 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 121.2 | -167.6 | 30.8 | -32.8 | 0 | 0 | 0 | 111.8 | S1604 | P1602-S1604 PolarHBondContact O-N 3.41Å; P1602-S1604 VanDerWaalsContact O-N 3.13Å |
| 1603 | V | 24.1 | Very low | 24.3 | Very low | 148 Ų | 148 | 126.9 Ų | 126.9 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | trans | -65.6 | 111 | 169.9 | 177.7 | 0 | 0 | 0 | 0 | 108.6 | P1601 | P1601-V1603 PolarHBondContact O-N 3.45Š| ||
| 1604 | S | 22.7 | Very low | 24.2 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -89.2 | 121.4 | 175.1 | -58.9 | 0 | 0 | 0 | 0 | 108.7 | P1602 | P1602-S1604 PolarHBondContact O-N 3.41Å; P1602-S1604 VanDerWaalsContact O-N 3.13Å | ||
| 1605 | G | 26.8 | Very low | 24.1 | Very low | 70 Ų | 70 | 127.7 Ų | 127.7 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | -151 | 134.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1606 | P | 29.9 | Very low | 23.9 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | trans | -120.9 | 163.4 | -150 | 38.9 | -22.7 | 0 | 0 | 0 | 115.6 | ||||
| 1607 | L | 21.9 | Very low | 23.7 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | trans | 72.7 | 108.2 | 146.4 | -69.8 | 156.2 | 0 | 0 | 0 | 120.3 | Q1609 | L1607-Q1609 HydrophobicContact CD2-CG 4.37Š| ||
| 1608 | V | 25.8 | Very low | 23.6 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -146.8 | 88.9 | 130 | -177.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 1609 | Q | 22.1 | Very low | 23.4 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 65% | 0.654 | 80% | 0.796 | S | S | * | * | 50.9 | 104.9 | 92.6 | -86.7 | -170.8 | -2.4 | 0 | 0 | 118 | L1607 | L1607-Q1609 HydrophobicContact CD2-CG 4.37Š| |||
| 1610 | Q | 21.3 | Very low | 23.3 | Very low | 184 Ų | 184 | 131.7 Ų | 131.7 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | 72.1 | 132.2 | 126.6 | -70.8 | -173.9 | -7.3 | 0 | 0 | 122.4 | |||||
| 1611 | G | 23.4 | Very low | 23.4 | Very low | 68 Ų | 68 | 128.5 Ų | 128.5 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | 159.1 | 67.2 | 159 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1612 | S | 21.2 | Very low | 24 | Very low | 117 Ų | 117 | 129 Ų | 129 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | 51.8 | 107.6 | 97.1 | 70.9 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 1613 | S | 23.4 | Very low | 23.9 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 174.3 | 94.2 | 142.4 | 33.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1614 | Q | 21.6 | Very low | 23.8 | Very low | 205 Ų | 205 | 132.5 Ų | 132.5 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | 66.3 | 105.3 | 100.6 | -76.1 | -165.2 | -0.8 | 0 | 0 | 116.3 | |||||
| 1615 | G | 21.9 | Very low | 23.7 | Very low | 68 Ų | 68 | 131.7 Ų | 131.7 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | 99.9 | 110.5 | 134 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1616 | F | 21.6 | Very low | 23.5 | Very low | 217 Ų | 217 | 133.3 Ų | 133.3 | 95% | 0.952 | 79% | 0.793 | S | S | * | * | -168.4 | 119.7 | 106 | -109.4 | -83.4 | 0 | 0 | 0 | 109.8 | |||||
| 1617 | Q | 20.7 | Very low | 23 | Very low | 160 Ų | 160 | 136 Ų | 136 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -90.2 | 162.1 | 173.3 | -71.6 | 177.5 | -37.2 | 0 | 0 | 110.8 | ||||
| 1618 | H | 21.3 | Very low | 23.1 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 75% | 0.75 | 81% | 0.806 | S | S | * | * | trans | 77.6 | 131.6 | 162.7 | -60.4 | -73.8 | 0 | 0 | 0 | 114.5 | ||||
| 1619 | T | 22.4 | Very low | 22.9 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | cis | -158.2 | 140.4 | 39.2 | 41.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1620 | G | 22.7 | Very low | 22.8 | Very low | 79 Ų | 79 | 129.1 Ų | 129.1 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | trans | -74.2 | 158.9 | 166 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1621 | A | 23.6 | Very low | 23 | Very low | 101 Ų | 101 | 125 Ų | 125 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -160 | 152.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1622 | P | 38.8 | Very low | 23 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | trans | -112.7 | 169 | -143.3 | 37.8 | -26.4 | 0 | 0 | 0 | 115.6 | ||||
| 1623 | L | 25 | Very low | 23 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | -10.9 | 121.1 | 157.1 | -62.9 | 165.4 | 0 | 0 | 0 | 116.3 | ||||
| 1624 | I | 22.4 | Very low | 23 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -128.1 | 114.5 | 155.6 | -64.1 | -178.7 | 0 | 0 | 0 | 109.6 | ||||
| 1625 | S | 19.9 | Very low | 23.1 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -60.3 | 148.2 | 166 | 47.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1626 | S | 22.1 | Very low | 23 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | 53.1 | 107 | 148.5 | 61.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1627 | L | 20.3 | Very low | 23 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -160 | 116.5 | 135.4 | -103.1 | 163.1 | 0 | 0 | 0 | 110.5 | ||||
| 1628 | T | 23.5 | Very low | 23.1 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -57.7 | 127.2 | 156.4 | 46 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1629 | G | 20.8 | Very low | 23.1 | Very low | 69 Ų | 69 | 129.8 Ų | 129.8 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 151.2 | 119.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 1630 | G | 21.7 | Very low | 23 | Very low | 76 Ų | 76 | 128.2 Ų | 128.2 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | -53.3 | 133.6 | -164.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1631 | P | 25.5 | Very low | 23.1 | Very low | 98 Ų | 98 | 130 Ų | 130 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | trans | -96.5 | 113.4 | 171.3 | 34.1 | -25.7 | 0 | 0 | 0 | 109.9 | F1633 | P1631-F1633 VanDerWaalsContact C-N 3.28Å; P1631-F1633 HydrophobicContact CB-CD2 3.9Å; P1631-F1633 HydrophobicContact CB-CE2 4.23Å; P1631-F1633 HydrophobicContact CG-CD2 4.08Å; P1631-F1633 HydrophobicContact CG-CE2 4.42Å; P1631-F1633 PolarHBondContact O-N 3.21Å | ||
| 1632 | T | 23.2 | Very low | 23 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | trans | -50 | 91 | 149.9 | 19.2 | 0 | 0 | 0 | 0 | 109.3 | Q1634 | T1632-Q1634 PolarHBondContact O-N 2.68Š| ||
| 1633 | F | 21.2 | Very low | 22.2 | Very low | 198 Ų | 198 | 134.3 Ų | 134.3 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | -93.5 | 79.2 | 169.5 | -106.9 | -82.4 | 0 | 0 | 0 | 109 | P1631 | P1631-F1633 VanDerWaalsContact C-N 3.28Å; P1631-F1633 HydrophobicContact CB-CD2 3.9Å; P1631-F1633 HydrophobicContact CB-CE2 4.23Å; P1631-F1633 HydrophobicContact CG-CD2 4.08Å; P1631-F1633 HydrophobicContact CG-CE2 4.42Å; P1631-F1633 PolarHBondContact O-N 3.21Å | ||
| 1634 | Q | 22.4 | Very low | 22.1 | Very low | 130 Ų | 130 | 131 Ų | 131 | 61% | 0.607 | 78% | 0.784 | S | S | * | * | trans | -144.6 | 62.5 | 175.7 | -157.4 | 170.8 | -12.4 | 0 | 0 | 109.6 | T1632 D1998 | T1632-Q1634 PolarHBondContact O-N 2.68Å; Q1634-D1998 VanDerWaalsContact CD-OD2 3.32Å; Q1634-D1998 VanDerWaalsContact NE2-CB 3.34Å; Q1634-D1998 PolarHBondContact NE2-OD2 3.4Å; Q1634-D1998 PolarHBondContact OE1-OD2 2.84Å | ||
| 1635 | Q | 23.1 | Very low | 22.2 | Very low | 191 Ų | 191 | 128.8 Ų | 128.8 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -157.9 | 59.6 | 168.1 | -110.6 | 174.4 | 21.7 | 0 | 0 | 110.7 | ||||
| 1636 | C | 20.3 | Very low | 22.5 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -148.1 | 48.2 | 158.1 | -91.8 | 0 | 0 | 0 | 0 | 109 | ||
| 1637 | F | 22.1 | Very low | 22.6 | Very low | 217 Ų | 217 | 129.1 Ų | 129.1 | 95% | 0.952 | 79% | 0.79 | S | S | * | * | trans | -146 | 79.4 | 168.9 | -82 | -74.9 | 0 | 0 | 0 | 108.3 | ||||
| 1638 | A | 22.2 | Very low | 22.8 | Very low | 91 Ų | 91 | 126.2 Ų | 126.2 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -152.8 | 135.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1639 | S | 22.7 | Very low | 22.8 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | 64.5 | 81.5 | 166.4 | 58.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1640 | A | 20 | Very low | 23 | Very low | 98 Ų | 98 | 130 Ų | 130 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -136.3 | 102.5 | 132.8 | 0 | 0 | 0 | 0 | 0 | 107 | M1642 | A1640-M1642 PolarHBondContact O-N 3.48Š| ||
| 1641 | P | 23.4 | Very low | 23.1 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -72.7 | 121 | -177.4 | 23.8 | -20 | 0 | 0 | 0 | 109.2 | V1643 | P1641-V1643 PolarHBondContact O-N 2.99Š| ||
| 1642 | M | 22.7 | Very low | 22.9 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 86% | 0.862 | 81% | 0.808 | S | S | * | * | trans | -63.8 | 94.3 | 174 | -141.3 | -175.4 | -172.4 | 0 | 0 | 108.6 | A1640 M1644 | A1640-M1642 PolarHBondContact O-N 3.48Å; M1642-M1644 PolarHBondContact O-N 2.95Å | ||
| 1643 | V | 21.8 | Very low | 22.8 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -76.7 | 99.7 | 161.1 | 178.5 | 0 | 0 | 0 | 0 | 105.6 | P1641 | P1641-V1643 PolarHBondContact O-N 2.99Š| ||
| 1644 | M | 22.4 | Very low | 22.9 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 51% | 0.512 | 81% | 0.806 | S | S | . | * | P | Polyproline II helix | trans | -66.3 | 127 | 169.6 | -70.1 | -139.7 | -50.2 | 0 | 0 | 108.4 | M1642 | M1642-M1644 PolarHBondContact O-N 2.95Š|
| 1645 | P | 24.4 | Very low | 23.7 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 127.5 | 170.8 | 18.7 | -11.7 | 0 | 0 | 0 | 108.6 | ||
| 1646 | P | 26.5 | Very low | 23.8 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 141.4 | 178.8 | 31.9 | -31.1 | 0 | 0 | 0 | 110.3 | ||
| 1647 | G | 24.4 | Very low | 23.7 | Very low | 74 Ų | 74 | 130.2 Ų | 130.2 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | 105.5 | 61.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1648 | A | 23.5 | Very low | 23.7 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | trans | -97.6 | 77.7 | 146.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1649 | Q | 24.6 | Very low | 23.6 | Very low | 176 Ų | 176 | 130.9 Ų | 130.9 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -118.2 | 117.4 | 165.5 | -81.3 | -172.8 | -15.9 | 0 | 0 | 108.5 | ||||
| 1650 | S | 24.3 | Very low | 24.4 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 54 | 106.7 | 150.7 | 52.2 | 0 | 0 | 0 | 0 | 118.7 | E1652 | S1650-E1652 PolarHBondContact O-N 3.19Š| ||
| 1651 | V | 24.3 | Very low | 24.5 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -36.5 | 113.9 | 146 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1652 | E | 21.2 | Very low | 24.5 | Very low | 190 Ų | 190 | 133.2 Ų | 133.2 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -160.2 | 105.4 | 149.7 | -112.9 | 176.9 | -165.8 | 0 | 0 | 108.2 | S1650 | S1650-E1652 PolarHBondContact O-N 3.19Š| ||
| 1653 | C | 21.3 | Very low | 24.4 | Very low | 129 Ų | 129 | 128 Ų | 128 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | trans | -93.9 | 114.8 | -179.3 | -71.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1654 | V | 22.9 | Very low | 24.4 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -132.9 | 133.7 | 157.4 | 178.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 1655 | P | 40.4 | Very low | 24.5 | Very low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -94.9 | 139.4 | -158.3 | 35.6 | -31.8 | 0 | 0 | 0 | 113.2 | ||||
| 1656 | T | 23.6 | Very low | 24.2 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | trans | -145.8 | 105.6 | 158.9 | 38.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1657 | T | 19.9 | Very low | 23.9 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | 36.7 | 123.5 | 136.6 | 56.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1658 | N | 21.5 | Very low | 23.8 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | 87.4 | 106.2 | 135.9 | -66.5 | -3.5 | 0 | 0 | 0 | 122.2 | ||||
| 1659 | E | 20.7 | Very low | 23.6 | Very low | 178 Ų | 178 | 145.7 Ų | 145.7 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | 76.8 | 157.8 | 135.6 | -69.3 | -162.7 | 161.9 | 0 | 0 | 120.2 | ||||
| 1660 | P | 38.8 | Very low | 23.5 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | -134.1 | 156.6 | -67.5 | 35.8 | -15.9 | 0 | 0 | 0 | 113.8 | |||||
| 1661 | S | 21.7 | Very low | 23.4 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | 31.8 | 102.7 | 144.6 | 63.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1662 | I | 23.1 | Very low | 23.3 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | -150.7 | 109.5 | 135.9 | -55.1 | -177.3 | 0 | 0 | 0 | 104.8 | ||||
| 1663 | G | 21.4 | Very low | 23.3 | Very low | 65 Ų | 65 | 142.6 Ų | 142.6 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | 103.7 | 81 | 61.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1664 | R | 22.3 | Very low | 23.6 | Very low | 242 Ų | 242 | 141.7 Ų | 141.7 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | trans | 27.6 | 122.5 | 145.8 | -66.6 | 177.2 | 173.6 | 170.9 | -2.3 | 118.9 | ||||
| 1665 | S | 23 | Very low | 23.8 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | 161.2 | 91.5 | 104.6 | -84.3 | 0 | 0 | 0 | 0 | 111.1 | H1667 | S1665-H1667 PolarHBondContact O-N 3.5Å; S1665-H1667 VanDerWaalsContact O-N 3.17Å | |||
| 1666 | F | 20 | Very low | 23.4 | Very low | 212 Ų | 212 | 149.1 Ų | 149.1 | 93% | 0.93 | 78% | 0.779 | S | S | * | * | trans | -74.1 | 97 | 158.1 | -97.3 | -91.1 | 0 | 0 | 0 | 108.1 | L1668 | F1666-L1668 PolarHBondContact O-N 2.88Š| ||
| 1667 | H | 20.1 | Very low | 24.2 | Very low | 168 Ų | 168 | 147 Ų | 147 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | trans | -71.8 | 81.1 | 158.1 | -97.1 | -88.6 | 0 | 0 | 0 | 107.9 | S1665 E1669 | S1665-H1667 PolarHBondContact O-N 3.5Å; S1665-H1667 VanDerWaalsContact O-N 3.17Å; H1667-E1669 PolarHBondContact O-N 3.15Å | ||
| 1668 | L | 21.3 | Very low | 25.3 | Very low | 147 Ų | 147 | 148.4 Ų | 148.4 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -77.1 | 105.1 | 151.5 | -150.3 | 83.5 | 0 | 0 | 0 | 104.5 | F1666 L1670 | F1666-L1668 PolarHBondContact O-N 2.88Å; L1668-L1670 PolarHBondContact O-N 3.36Å | ||
| 1669 | E | 20.4 | Very low | 26.8 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -46.3 | 110.8 | 170.4 | -78.1 | 177.6 | 147.7 | 0 | 0 | 107.9 | H1667 V1671 | H1667-E1669 PolarHBondContact O-N 3.15Å; E1669-V1671 VanDerWaalsContact C-N 3.35Å; E1669-V1671 PolarHBondContact O-N 3.17Å | ||
| 1670 | L | 21.7 | Very low | 28.7 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 67% | 0.665 | 73% | 0.733 | S | S | * | * | trans | -44 | 106.1 | 162.6 | -107.4 | 76.4 | 0 | 0 | 0 | 106.1 | L1668 A1672 R1673 | L1668-L1670 PolarHBondContact O-N 3.36Å; L1670-A1672 PolarHBondContact O-N 2.95Å; L1670-R1673 HydrophobicContact CD2-CB 4.32Å; L1670-R1673 HydrophobicContact CD2-CG 3.93Å | ||
| 1671 | V | 22.7 | Very low | 30 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 87% | 0.867 | 74% | 0.736 | S | S | * | * | trans | -47.8 | 108.4 | 142.3 | 172.3 | 0 | 0 | 0 | 0 | 103 | E1669 R1673 | E1669-V1671 VanDerWaalsContact C-N 3.35Å; E1669-V1671 PolarHBondContact O-N 3.17Å; V1671-R1673 PolarHBondContact O-N 3.34Å | ||
| 1672 | A | 22.4 | Very low | 32.4 | Very low | 77 Ų | 77 | 139.2 Ų | 139.2 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | trans | -35.1 | 116.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | L1670 P1674 | L1670-A1672 PolarHBondContact O-N 2.95Å; A1672-P1674 VanDerWaalsContact C-N 3.33Å; A1672-P1674 WeakPolarHBondContact O-CD 3.4Å | ||
| 1673 | R | 20.7 | Very low | 35.1 | Very low | 205 Ų | 205 | 131.3 Ų | 131.3 | 77% | 0.774 | 68% | 0.684 | S | S | * | * | trans | -43.3 | 114.1 | 156 | -89.4 | 179.3 | 173.4 | 171.5 | -1.7 | 102.5 | L1670 V1671 E1675 | L1670-R1673 HydrophobicContact CD2-CB 4.32Å; L1670-R1673 HydrophobicContact CD2-CG 3.93Å; V1671-R1673 PolarHBondContact O-N 3.34Å; R1673-E1675 PolarHBondContact O-N 2.94Å | ||
| 1674 | P | 26.4 | Very low | 37.8 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 71% | 0.708 | 67% | 0.665 | S | S | * | * | trans | -55.6 | 115.2 | 163.7 | 24.8 | -27 | 0 | 0 | 0 | 100.9 | A1672 R1676 | A1672-P1674 VanDerWaalsContact C-N 3.33Å; A1672-P1674 WeakPolarHBondContact O-CD 3.4Å; P1674-R1676 PolarHBondContact O-N 3.36Å | ||
| 1675 | E | 26.9 | Very low | 40.5 | Very low | 170 Ų | 170 | 126.4 Ų | 126.4 | 79% | 0.794 | 65% | 0.653 | S | S | * | * | trans | -34.6 | 122.7 | 173 | -68.4 | 175.4 | 148.5 | 0 | 0 | 104.3 | R1673 T1677 | R1673-E1675 PolarHBondContact O-N 2.94Å; E1675-T1677 WeakPolarHBondContact O-CA 3.38Å; E1675-T1677 PolarHBondContact O-N 3.44Å | ||
| 1676 | R | 33 | Very low | 43.4 | Very low | 239 Ų | 239 | 126.6 Ų | 126.6 | 90% | 0.902 | 64% | 0.643 | S | S | * | * | trans | -48.5 | 100.7 | 168.3 | -91.6 | -174.8 | 178.2 | 178.9 | -0.9 | 102 | P1674 N1678 | P1674-R1676 PolarHBondContact O-N 3.36Å; R1676-N1678 PolarHBondContact O-N 3Å | ||
| 1677 | T | 39.5 | Very low | 46.5 | Very low | 86 Ų | 86 | 116.5 Ų | 116.5 | 53% | 0.528 | 60% | 0.599 | S | S | . | * | trans | -55.9 | 119.5 | -175.8 | 37.2 | 0 | 0 | 0 | 0 | 100.3 | E1675 I1679 | E1675-T1677 WeakPolarHBondContact O-CA 3.38Å; E1675-T1677 PolarHBondContact O-N 3.44Å; T1677-I1679 WeakPolarHBondContact O-CG1 3.33Å; T1677-I1679 PolarHBondContact O-N 3.25Å | ||
| 1678 | N | 44.3 | Very low | 49.4 | Very low | 151 Ų | 151 | 111.5 Ų | 111.5 | 81% | 0.807 | 58% | 0.576 | S | S | * | * | trans | -62.5 | 73.4 | -180 | -88.9 | -30.4 | 0 | 0 | 0 | 106.3 | R1676 L1680 | R1676-N1678 PolarHBondContact O-N 3Å; N1678-L1680 VanDerWaalsContact C-N 3.32Å; N1678-L1680 PolarHBondContact O-N 2.87Å | ||
| 1679 | I | 53 | Low | 52.4 | Low | 51 Ų | 51 | 106.7 Ų | 106.7 | 26% | 0.262 | 56% | 0.557 | S | S | . | * | trans | -68.8 | 104.6 | 176.9 | -64.1 | 164.8 | 0 | 0 | 0 | 101.6 | T1677 P1681 F1683 Y1727 P1730 I1734 | T1677-I1679 WeakPolarHBondContact O-CG1 3.33Å; T1677-I1679 PolarHBondContact O-N 3.25Å; I1679-P1681 WeakPolarHBondContact O-CD 3.25Å; I1679-F1683 HydrophobicContact CG2-CB 4.28Å; I1679-F1683 HydrophobicContact CG2-CD1 3.72Å; I1679-F1683 HydrophobicContact CG2-CG 4.44Å; I1679-Y1727 HydrophobicContact CG1-CE1 4.43Å; I1679-P1730 HydrophobicContact CD1-CB 3.99Å; I1679-P1730 HydrophobicContact CG1-CB 4.22Å; I1679-I1734 HydrophobicContact CG2-CD1 4.04Å | ||
| 1680 | L | 59.6 | Low | 55.5 | Low | 112 Ų | 112 | 99.1 Ų | 99.1 | 59% | 0.586 | 52% | 0.522 | S | S | * | . | trans | -47.7 | 125.9 | 176.7 | -74 | 149.2 | 0 | 0 | 0 | 107.5 | N1678 A1682 F1683 A1684 | N1678-L1680 VanDerWaalsContact C-N 3.32Å; N1678-L1680 PolarHBondContact O-N 2.87Å; L1680-A1682 PolarHBondContact O-N 3.18Å; L1680-F1683 HydrophobicContact CB-CB 4.46Å; L1680-F1683 WeakPolarHBondContact O-CA 3.45Å; L1680-F1683 WeakPolarHBondContact O-CB 3.24Å; L1680-F1683 PolarHBondContact O-N 3.45Å; L1680-A1684 PolarHBondContact O-N 3.42Å | ||
| 1681 | P | 66.9 | Low | 58.7 | Low | 111 Ų | 111 | 93.6 Ų | 93.6 | 72% | 0.721 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -50.8 | -30.5 | 176.8 | -29.7 | 34.9 | 0 | 0 | 0 | 112.8 | I1679 F1683 A1684 Y1685 | I1679-P1681 WeakPolarHBondContact O-CD 3.25Å; P1681-F1683 VanDerWaalsContact C-N 3.35Å; P1681-F1683 PolarHBondContact O-N 2.81Å; P1681-A1684 PolarHBondContact O-N 3.44Å; P1681-Y1685 PolarHBondContact O-N 3.45Å |
| 1682 | A | 72.1 | Confident | 61.7 | Low | 64 Ų | 64 | 94.2 Ų | 94.2 | 53% | 0.529 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.5 | -40.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1680 Q1686 | L1680-A1682 PolarHBondContact O-N 3.18Å; A1682-Q1686 VanDerWaalsContact O-CG 3.28Å; A1682-Q1686 WeakPolarHBondContact O-CG 3.49Å; A1682-Q1686 PolarHBondContact O-N 2.81Å |
| 1683 | F | 78.7 | Confident | 64.8 | Low | 8 Ų | 8 | 93.9 Ų | 93.9 | 4% | 0.035 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -67.4 | -46.9 | 176 | -178.6 | -98.8 | 0 | 0 | 0 | 111.1 | I1679 L1680 P1681 Y1685 Q1686 V1687 L1721 Y1727 P1730 F1731 I1734 | I1679-F1683 HydrophobicContact CG2-CB 4.28Å; I1679-F1683 HydrophobicContact CG2-CD1 3.72Å; I1679-F1683 HydrophobicContact CG2-CG 4.44Å; L1680-F1683 HydrophobicContact CB-CB 4.46Å; L1680-F1683 WeakPolarHBondContact O-CA 3.45Å; L1680-F1683 WeakPolarHBondContact O-CB 3.24Å; L1680-F1683 PolarHBondContact O-N 3.45Å; P1681-F1683 VanDerWaalsContact C-N 3.35Å; P1681-F1683 PolarHBondContact O-N 2.81Å; F1683-Y1685 VanDerWaalsContact C-N 3.28Å; F1683-Y1685 PolarHBondContact O-N 3.04Å; F1683-Q1686 WeakPolarHBondContact O-CB 3.36Å; F1683-Q1686 PolarHBondContact O-N 3.16Å; F1683-Q1686 VanDerWaalsContact O-N 3.08Å; F1683-V1687 HydrophobicContact CD1-CG2 3.89Å; F1683-V1687 HydrophobicContact CE1-CG2 3.47Å; F1683-V1687 VanDerWaalsContact CE1-CG2 3.47Å; F1683-V1687 HydrophobicContact CE2-CG2 4.18Å; F1683-V1687 HydrophobicContact CG-CG2 4.42Å; F1683-V1687 HydrophobicContact CZ-CG2 3.62Å; F1683-V1687 WeakPolarHBondContact O-CG2 3.26Å; F1683-V1687 PolarHBondContact O-N 3.35Å; F1683-L1721 HydrophobicContact CD2-CD1 3.98Å; F1683-L1721 HydrophobicContact CD2-CG 4.46Å; F1683-L1721 HydrophobicContact CE2-CD1 3.84Å; F1683-L1721 HydrophobicContact CE2-CD2 4.4Å; F1683-L1721 HydrophobicContact CE2-CG 3.84Å; F1683-Y1727 HydrophobicContact CD1-CD1 4.04Å; F1683-Y1727 AromaticContact CE1-CD1 3.91Å; F1683-Y1727 HydrophobicContact CE1-CD1 3.91Å; F1683-Y1727 HydrophobicContact CE1-CG 4.13Å; F1683-Y1727 HydrophobicContact CE2-CG 4.2Å; F1683-Y1727 HydrophobicContact CG-CD1 4.43Å; F1683-Y1727 HydrophobicContact CZ-CD1 4.22Å; F1683-Y1727 AromaticContact CZ-CG 3.96Å; F1683-Y1727 HydrophobicContact CZ-CG 3.96Å; F1683-P1730 HydrophobicContact CE1-CB 4.12Å; F1683-F1731 HydrophobicContact CZ-CB 4.42Å; F1683-I1734 HydrophobicContact CD1-CD1 4.07Å; F1683-I1734 HydrophobicContact CE1-CD1 4.09Å |
| 1684 | A | 78 | Confident | 68.1 | Low | 32 Ų | 32 | 84.1 Ų | 84.1 | 26% | 0.264 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.4 | -41.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L1680 P1681 V1687 Q1688 I1734 | L1680-A1684 PolarHBondContact O-N 3.42Å; P1681-A1684 PolarHBondContact O-N 3.44Å; A1684-V1687 PolarHBondContact O-N 3.1Å; A1684-Q1688 WeakPolarHBondContact O-CB 3.26Å; A1684-Q1688 PolarHBondContact O-N 3.16Å; A1684-I1734 HydrophobicContact CB-CD1 4.16Å |
| 1685 | Y | 80.5 | Confident | 70.9 | Confident | 171 Ų | 171 | 81.3 Ų | 81.3 | 67% | 0.671 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.2 | -41.5 | 174.4 | -172.3 | -95.2 | 0 | 0 | 0 | 112.6 | P1681 F1683 Q1688 A1689 | P1681-Y1685 PolarHBondContact O-N 3.45Å; F1683-Y1685 VanDerWaalsContact C-N 3.28Å; F1683-Y1685 PolarHBondContact O-N 3.04Å; Y1685-Q1688 PolarHBondContact O-N 3.04Å; Y1685-A1689 WeakPolarHBondContact O-CB 3.39Å; Y1685-A1689 PolarHBondContact O-N 3.03Å |
| 1686 | Q | 82.7 | Confident | 73.7 | Confident | 103 Ų | 103 | 78 Ų | 78 | 48% | 0.481 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 175.1 | -74.9 | 173.5 | -9.5 | 0 | 0 | 112.2 | A1682 F1683 A1689 M1690 L1721 | A1682-Q1686 VanDerWaalsContact O-CG 3.28Å; A1682-Q1686 WeakPolarHBondContact O-CG 3.49Å; A1682-Q1686 PolarHBondContact O-N 2.81Å; F1683-Q1686 WeakPolarHBondContact O-CB 3.36Å; F1683-Q1686 PolarHBondContact O-N 3.16Å; F1683-Q1686 VanDerWaalsContact O-N 3.08Å; Q1686-A1689 PolarHBondContact O-N 3.41Å; Q1686-M1690 WeakPolarHBondContact O-CB 3.16Å; Q1686-M1690 PolarHBondContact O-N 3.11Å; Q1686-L1721 HydrophobicContact CB-CD1 4.03Å; Q1686-L1721 HydrophobicContact CB-CD2 4.28Å |
| 1687 | V | 85.6 | Confident | 76.2 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64 | -44 | 175.2 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | F1683 A1684 A1689 M1690 L1691 L1721 F1731 I1734 C1735 | F1683-V1687 HydrophobicContact CD1-CG2 3.89Å; F1683-V1687 HydrophobicContact CE1-CG2 3.47Å; F1683-V1687 VanDerWaalsContact CE1-CG2 3.47Å; F1683-V1687 HydrophobicContact CE2-CG2 4.18Å; F1683-V1687 HydrophobicContact CG-CG2 4.42Å; F1683-V1687 HydrophobicContact CZ-CG2 3.62Å; F1683-V1687 WeakPolarHBondContact O-CG2 3.26Å; F1683-V1687 PolarHBondContact O-N 3.35Å; A1684-V1687 PolarHBondContact O-N 3.1Å; V1687-A1689 PolarHBondContact O-N 3.27Å; V1687-M1690 WeakPolarHBondContact O-CB 3.36Å; V1687-M1690 PolarHBondContact O-N 3.3Å; V1687-L1691 PolarHBondContact O-N 2.97Å; V1687-L1721 HydrophobicContact CG2-CD2 4Å; V1687-F1731 HydrophobicContact CB-CD2 4.41Å; V1687-F1731 HydrophobicContact CG1-CD2 3.83Å; V1687-F1731 HydrophobicContact CG1-CE2 4.01Å; V1687-F1731 HydrophobicContact CG2-CD2 3.79Å; V1687-F1731 HydrophobicContact CG2-CE2 4.42Å; V1687-I1734 HydrophobicContact CB-CG2 4.2Å; V1687-I1734 HydrophobicContact CG1-CB 4.12Å; V1687-I1734 HydrophobicContact CG1-CG2 3.79Å; V1687-I1734 HydrophobicContact CG2-CD1 4.5Å; V1687-C1735 VanDerWaalsContact CG1-SG 3.55Å |
| 1688 | Q | 82 | Confident | 78.3 | Confident | 64 Ų | 64 | 65.9 Ų | 65.9 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 175.4 | 164.7 | 165 | 5.1 | 0 | 0 | 112.3 | A1684 Y1685 M1690 L1691 R1692 M1738 | A1684-Q1688 WeakPolarHBondContact O-CB 3.26Å; A1684-Q1688 PolarHBondContact O-N 3.16Å; Y1685-Q1688 PolarHBondContact O-N 3.04Å; Q1688-M1690 VanDerWaalsContact C-N 3.31Å; Q1688-M1690 PolarHBondContact O-N 2.92Å; Q1688-L1691 PolarHBondContact O-N 3.22Å; Q1688-R1692 WeakPolarHBondContact O-CG 3.37Å; Q1688-R1692 PolarHBondContact O-N 3.17Å; Q1688-M1738 HydrophobicContact CB-CE 3.61Å; Q1688-M1738 HydrophobicContact CB-SD 3.83Å; Q1688-M1738 HydrophobicContact CG-CE 3.43Å; Q1688-M1738 VanDerWaalsContact CG-CE 3.43Å; Q1688-M1738 HydrophobicContact CG-SD 4.33Å |
| 1689 | A | 83.9 | Confident | 80.3 | Confident | 45 Ų | 45 | 63.6 Ų | 63.6 | 37% | 0.372 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y1685 Q1686 V1687 R1692 E1693 | Y1685-A1689 WeakPolarHBondContact O-CB 3.39Å; Y1685-A1689 PolarHBondContact O-N 3.03Å; Q1686-A1689 PolarHBondContact O-N 3.41Å; V1687-A1689 PolarHBondContact O-N 3.27Å; A1689-R1692 PolarHBondContact O-N 3.44Å; A1689-E1693 WeakPolarHBondContact O-CB 3.46Å; A1689-E1693 PolarHBondContact O-N 3.37Å |
| 1690 | M | 85.5 | Confident | 81.7 | Confident | 13 Ų | 13 | 62.3 Ų | 62.3 | 6% | 0.064 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 177.5 | -166.3 | 69.9 | 69.6 | 0 | 0 | 112.3 | Q1686 V1687 Q1688 E1693 W1694 F1714 K1717 M1718 L1721 | Q1686-M1690 WeakPolarHBondContact O-CB 3.16Å; Q1686-M1690 PolarHBondContact O-N 3.11Å; V1687-M1690 WeakPolarHBondContact O-CB 3.36Å; V1687-M1690 PolarHBondContact O-N 3.3Å; Q1688-M1690 VanDerWaalsContact C-N 3.31Å; Q1688-M1690 PolarHBondContact O-N 2.92Å; M1690-E1693 PolarHBondContact O-N 3.4Å; M1690-W1694 PolarHBondContact O-N 3.01Å; M1690-F1714 HydrophobicContact CG-CE2 4.2Å; M1690-F1714 HydrophobicContact CG-CZ 3.65Å; M1690-F1714 WeakPolarHBondContact O-CZ 3.49Å; M1690-F1714 HydrophobicContact SD-CE2 3.65Å; M1690-F1714 HydrophobicContact SD-CZ 3.64Å; M1690-K1717 HydrophobicContact CE-CB 4.22Å; M1690-K1717 HydrophobicContact CE-CD 3.9Å; M1690-K1717 HydrophobicContact CE-CG 3.62Å; M1690-K1717 HydrophobicContact SD-CB 4.3Å; M1690-K1717 HydrophobicContact SD-CD 3.87Å; M1690-K1717 HydrophobicContact SD-CG 4.06Å; M1690-M1718 HydrophobicContact SD-CB 4.5Å; M1690-L1721 HydrophobicContact CE-CB 4.4Å; M1690-L1721 HydrophobicContact CE-CD2 4.12Å |
| 1691 | L | 87.4 | Confident | 82.5 | Confident | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.063 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 178.4 | -175.5 | 63.5 | 0 | 0 | 0 | 111.6 | V1687 Q1688 W1694 V1695 C1735 M1738 Y1768 L1771 | V1687-L1691 PolarHBondContact O-N 2.97Å; Q1688-L1691 PolarHBondContact O-N 3.22Å; L1691-W1694 PolarHBondContact O-N 3Å; L1691-V1695 VanDerWaalsContact O-CG2 3.27Å; L1691-V1695 WeakPolarHBondContact O-CG2 3.32Å; L1691-V1695 PolarHBondContact O-N 3.36Å; L1691-C1735 HydrophobicContact CD2-CB 4.27Å; L1691-M1738 HydrophobicContact CD2-CB 4.23Å; L1691-M1738 HydrophobicContact CD2-SD 4.38Å; L1691-Y1768 HydrophobicContact CD1-CD2 4.42Å; L1691-L1771 HydrophobicContact CD1-CD2 4.28Å |
| 1692 | R | 85.9 | Confident | 83 | Confident | 156 Ų | 156 | 63.3 Ų | 63.3 | 59% | 0.589 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.6 | -42.3 | 176 | -75.2 | 176.9 | -178.5 | -105.6 | 2.2 | 112.2 | Q1688 A1689 V1695 T1696 | Q1688-R1692 WeakPolarHBondContact O-CG 3.37Å; Q1688-R1692 PolarHBondContact O-N 3.17Å; A1689-R1692 PolarHBondContact O-N 3.44Å; R1692-V1695 PolarHBondContact O-N 3.28Å; R1692-T1696 PolarHBondContact O-N 2.97Å; R1692-T1696 PolarHBondContact O-OG1 3.19Å |
| 1693 | E | 87.3 | Confident | 83.4 | Confident | 69 Ų | 69 | 61.4 Ų | 61.4 | 32% | 0.322 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 173.5 | -175.7 | 178 | -170.9 | 0 | 0 | 110.8 | A1689 M1690 V1695 T1696 I1697 F1714 K1717 | A1689-E1693 WeakPolarHBondContact O-CB 3.46Å; A1689-E1693 PolarHBondContact O-N 3.37Å; M1690-E1693 PolarHBondContact O-N 3.4Å; E1693-V1695 PolarHBondContact O-N 3.15Å; E1693-T1696 WeakPolarHBondContact O-CB 3.44Å; E1693-T1696 PolarHBondContact O-N 2.83Å; E1693-I1697 HydrophobicContact CG-CD1 3.99Å; E1693-I1697 VanDerWaalsContact O-CG1 3.28Å; E1693-I1697 WeakPolarHBondContact O-CG1 3.41Å; E1693-I1697 PolarHBondContact O-N 3.38Å; E1693-F1714 HydrophobicContact CB-CE2 4.41Å; E1693-F1714 HydrophobicContact CG-CE2 4.23Å; E1693-K1717 IonicContact OE1-NZ 2.83Å; E1693-K1717 PolarHBondContact OE1-NZ 3.45Å; E1693-K1717 IonicContact OE2-NZ 2.59Å; E1693-K1717 PolarHBondContact OE2-NZ 3.39Å |
| 1694 | W | 90.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 175.4 | 178.6 | -105.5 | 0 | 0 | 0 | 113.3 | M1690 L1691 T1696 I1697 F1698 Y1703 F1711 F1714 P1767 L1771 | M1690-W1694 PolarHBondContact O-N 3.01Å; L1691-W1694 PolarHBondContact O-N 3Å; W1694-T1696 VanDerWaalsContact C-N 3.27Å; W1694-T1696 PolarHBondContact O-N 2.83Å; W1694-I1697 HydrophobicContact CE3-CG2 4.43Å; W1694-I1697 HydrophobicContact CZ3-CG2 4.4Å; W1694-I1697 CarbonylContact O-C 3.6Å; W1694-I1697 PolarHBondContact O-N 2.77Å; W1694-I1697 VanDerWaalsContact O-N 3.16Å; W1694-F1698 WeakPolarHBondContact O-CB 3.21Å; W1694-F1698 PolarHBondContact O-N 2.99Å; W1694-Y1703 HydrophobicContact CH2-CD2 4.24Å; W1694-Y1703 AromaticContact CH2-CE2 3.69Å; W1694-Y1703 HydrophobicContact CH2-CE2 3.69Å; W1694-Y1703 AromaticContact CZ2-CE2 3.96Å; W1694-Y1703 HydrophobicContact CZ2-CE2 3.96Å; W1694-F1711 HydrophobicContact CH2-CB 4.06Å; W1694-F1711 AromaticContact CH2-CD2 3.7Å; W1694-F1711 HydrophobicContact CH2-CD2 3.7Å; W1694-F1711 HydrophobicContact CH2-CG 4.36Å; W1694-F1711 HydrophobicContact CZ3-CB 4.29Å; W1694-F1711 AromaticContact CZ3-CD2 3.84Å; W1694-F1711 HydrophobicContact CZ3-CD2 3.84Å; W1694-F1714 HydrophobicContact CB-CE1 4.09Å; W1694-F1714 HydrophobicContact CB-CE2 4.17Å; W1694-F1714 HydrophobicContact CB-CZ 3.66Å; W1694-F1714 HydrophobicContact CD2-CD1 4.36Å; W1694-F1714 HydrophobicContact CD2-CE1 4.16Å; W1694-F1714 HydrophobicContact CE3-CB 4.37Å; W1694-F1714 AromaticContact CE3-CD1 3.43Å; W1694-F1714 HydrophobicContact CE3-CD1 3.43Å; W1694-F1714 VanDerWaalsContact CE3-CD1 3.43Å; W1694-F1714 HydrophobicContact CE3-CD2 4.33Å; W1694-F1714 AromaticContact CE3-CE1 3.65Å; W1694-F1714 HydrophobicContact CE3-CE1 3.65Å; W1694-F1714 AromaticContact CE3-CG 3.79Å; W1694-F1714 HydrophobicContact CE3-CG 3.79Å; W1694-F1714 HydrophobicContact CE3-CZ 4.18Å; W1694-F1714 HydrophobicContact CG-CE1 4.36Å; W1694-F1714 HydrophobicContact CG-CZ 4.4Å; W1694-F1714 HydrophobicContact CZ3-CB 4.31Å; W1694-F1714 AromaticContact CZ3-CD1 3.85Å; W1694-F1714 HydrophobicContact CZ3-CD1 3.85Å; W1694-F1714 HydrophobicContact CZ3-CE1 4.45Å; W1694-F1714 HydrophobicContact CZ3-CG 4.18Å; W1694-P1767 PolarHBondContact NE1-O 3.47Å; W1694-L1771 HydrophobicContact CD2-CD1 3.83Å; W1694-L1771 HydrophobicContact CE3-CD1 4.25Å; W1694-L1771 HydrophobicContact CG-CB 4.47Å; W1694-L1771 HydrophobicContact CG-CD1 4.08Å; W1694-L1771 HydrophobicContact CG-CD2 4.48Å; W1694-L1771 HydrophobicContact CZ2-CB 4.41Å; W1694-L1771 HydrophobicContact CZ2-CD1 4.31Å |
| 1695 | V | 86.4 | Confident | 83.2 | Confident | 51 Ų | 51 | 68 Ų | 68 | 31% | 0.309 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 176.5 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | L1691 R1692 E1693 I1697 F1698 Y1699 P1767 | L1691-V1695 VanDerWaalsContact O-CG2 3.27Å; L1691-V1695 WeakPolarHBondContact O-CG2 3.32Å; L1691-V1695 PolarHBondContact O-N 3.36Å; R1692-V1695 PolarHBondContact O-N 3.28Å; E1693-V1695 PolarHBondContact O-N 3.15Å; V1695-I1697 VanDerWaalsContact C-N 3.34Å; V1695-I1697 PolarHBondContact O-N 2.99Å; V1695-F1698 PolarHBondContact O-N 2.88Å; V1695-Y1699 HydrophobicContact CG1-CD2 4.04Å; V1695-Y1699 HydrophobicContact CG1-CE2 3.9Å; V1695-Y1699 VanDerWaalsContact O-CD2 3.24Å; V1695-Y1699 WeakPolarHBondContact O-CD2 3.46Å; V1695-Y1699 PolarHBondContact O-N 3.05Å; V1695-P1767 HydrophobicContact CB-CB 4.45Å; V1695-P1767 HydrophobicContact CG1-CG 4.4Å; V1695-P1767 HydrophobicContact CG2-CB 3.86Å; V1695-P1767 HydrophobicContact CG2-CG 4.34Å |
| 1696 | T | 85.1 | Confident | 83.2 | Confident | 101 Ų | 101 | 64.5 Ų | 64.5 | 62% | 0.62 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.4 | -41.5 | 176.6 | -50.3 | 0 | 0 | 0 | 0 | 111.4 | R1692 E1693 W1694 S1700 | R1692-T1696 PolarHBondContact O-N 2.97Å; R1692-T1696 PolarHBondContact O-OG1 3.19Å; E1693-T1696 WeakPolarHBondContact O-CB 3.44Å; E1693-T1696 PolarHBondContact O-N 2.83Å; W1694-T1696 VanDerWaalsContact C-N 3.27Å; W1694-T1696 PolarHBondContact O-N 2.83Å; T1696-S1700 PolarHBondContact O-N 2.8Å |
| 1697 | I | 85.5 | Confident | 83.1 | Confident | 36 Ų | 36 | 61.6 Ų | 61.6 | 19% | 0.185 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 176.8 | -70 | 167.7 | 0 | 0 | 0 | 111.2 | E1693 W1694 V1695 Y1699 S1700 Y1703 V1710 F1714 | E1693-I1697 HydrophobicContact CG-CD1 3.99Å; E1693-I1697 VanDerWaalsContact O-CG1 3.28Å; E1693-I1697 WeakPolarHBondContact O-CG1 3.41Å; E1693-I1697 PolarHBondContact O-N 3.38Å; W1694-I1697 HydrophobicContact CE3-CG2 4.43Å; W1694-I1697 HydrophobicContact CZ3-CG2 4.4Å; W1694-I1697 CarbonylContact O-C 3.6Å; W1694-I1697 PolarHBondContact O-N 2.77Å; W1694-I1697 VanDerWaalsContact O-N 3.16Å; V1695-I1697 VanDerWaalsContact C-N 3.34Å; V1695-I1697 PolarHBondContact O-N 2.99Å; I1697-Y1699 VanDerWaalsContact C-N 3.3Å; I1697-Y1699 PolarHBondContact O-N 3.25Å; I1697-S1700 VanDerWaalsContact O-CB 3.23Å; I1697-S1700 WeakPolarHBondContact O-CB 3.25Å; I1697-S1700 PolarHBondContact O-N 3.28Å; I1697-S1700 PolarHBondContact O-OG 2.89Å; I1697-Y1703 VanDerWaalsContact O-CB 3.27Å; I1697-Y1703 WeakPolarHBondContact O-CB 3.31Å; I1697-V1710 HydrophobicContact CG2-CG1 3.09Å; I1697-F1714 HydrophobicContact CD1-CB 4.44Å; I1697-F1714 HydrophobicContact CD1-CD2 3.69Å; I1697-F1714 HydrophobicContact CD1-CE2 4.32Å; I1697-F1714 HydrophobicContact CD1-CG 4.33Å |
| 1698 | F | 84.7 | Confident | 83.1 | Confident | 33 Ų | 33 | 64.2 Ų | 64.2 | 15% | 0.145 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.9 | -39.5 | -178 | 178.5 | -90.6 | 0 | 0 | 0 | 112.4 | W1694 V1695 S1700 Y1703 P1767 A1770 | W1694-F1698 WeakPolarHBondContact O-CB 3.21Å; W1694-F1698 PolarHBondContact O-N 2.99Å; V1695-F1698 PolarHBondContact O-N 2.88Å; F1698-S1700 VanDerWaalsContact C-N 3.29Å; F1698-Y1703 AromaticContact CD2-CD1 3.85Å; F1698-Y1703 HydrophobicContact CD2-CD1 3.85Å; F1698-Y1703 AromaticContact CD2-CE1 3.35Å; F1698-Y1703 HydrophobicContact CD2-CE1 3.35Å; F1698-Y1703 HydrophobicContact CD2-CE2 4.32Å; F1698-Y1703 AromaticContact CD2-CZ 3.62Å; F1698-Y1703 HydrophobicContact CE2-CD1 4.19Å; F1698-Y1703 AromaticContact CE2-CE1 3.4Å; F1698-Y1703 HydrophobicContact CE2-CE1 3.4Å; F1698-Y1703 AromaticContact CE2-CZ 3.84Å; F1698-Y1703 HydrophobicContact CG-CD1 4.36Å; F1698-Y1703 HydrophobicContact CG-CE1 4.27Å; F1698-Y1703 HydrophobicContact CZ-CE1 4.36Å; F1698-Y1703 WeakPolarHBondContact O-CD1 3.27Å; F1698-P1767 HydrophobicContact CB-CB 4.06Å; F1698-P1767 HydrophobicContact CB-CG 4.47Å; F1698-P1767 HydrophobicContact CD1-CB 3.99Å; F1698-P1767 HydrophobicContact CD1-CG 3.63Å; F1698-P1767 HydrophobicContact CD2-CB 4.48Å; F1698-P1767 HydrophobicContact CE1-CG 4.06Å; F1698-P1767 HydrophobicContact CG-CB 3.91Å; F1698-P1767 HydrophobicContact CG-CG 4.09Å; F1698-A1770 HydrophobicContact CD2-CB 3.79Å; F1698-A1770 HydrophobicContact CE2-CB 3.41Å; F1698-A1770 VanDerWaalsContact CE2-CB 3.41Å; F1698-A1770 HydrophobicContact CZ-CB 4.41Å |
| 1699 | Y | 85.7 | Confident | 83.1 | Confident | 104 Ų | 104 | 67 Ų | 67 | 41% | 0.408 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 1.2 | 175.5 | -66.4 | -63.4 | 0 | 0 | 0 | 113.9 | V1695 I1697 V1763 P1767 | V1695-Y1699 HydrophobicContact CG1-CD2 4.04Å; V1695-Y1699 HydrophobicContact CG1-CE2 3.9Å; V1695-Y1699 VanDerWaalsContact O-CD2 3.24Å; V1695-Y1699 WeakPolarHBondContact O-CD2 3.46Å; V1695-Y1699 PolarHBondContact O-N 3.05Å; I1697-Y1699 VanDerWaalsContact C-N 3.3Å; I1697-Y1699 PolarHBondContact O-N 3.25Å; Y1699-V1763 VanDerWaalsContact OH-CG1 3.23Å; Y1699-V1763 WeakPolarHBondContact OH-CG1 3.41Å; Y1699-V1763 PolarHBondContact OH-O 3.26Å; Y1699-P1767 HydrophobicContact CE2-CG 3.71Å |
| 1700 | S | 81.2 | Confident | 83.2 | Confident | 24 Ų | 24 | 65.6 Ų | 65.6 | 17% | 0.168 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -75.5 | 144.4 | 173.9 | 78 | 0 | 0 | 0 | 0 | 110.5 | T1696 I1697 F1698 E1702 Y1703 F1704 | T1696-S1700 PolarHBondContact O-N 2.8Å; I1697-S1700 VanDerWaalsContact O-CB 3.23Å; I1697-S1700 WeakPolarHBondContact O-CB 3.25Å; I1697-S1700 PolarHBondContact O-N 3.28Å; I1697-S1700 PolarHBondContact O-OG 2.89Å; F1698-S1700 VanDerWaalsContact C-N 3.29Å; S1700-E1702 PolarHBondContact O-N 3.3Å; S1700-E1702 VanDerWaalsContact O-N 3.14Å; S1700-Y1703 PolarHBondContact O-N 3.21Å; S1700-Y1703 VanDerWaalsContact O-N 3.15Å; S1700-F1704 WeakPolarHBondContact O-CD2 3.37Å |
| 1701 | P | 76.6 | Confident | 83.3 | Confident | 106 Ų | 106 | 65 Ų | 65 | 69% | 0.688 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -57.5 | -28.3 | 176.5 | 20 | -30.2 | 0 | 0 | 0 | 113 | Y1703 F1704 S1705 | P1701-Y1703 VanDerWaalsContact C-N 3.34Å; P1701-Y1703 PolarHBondContact O-N 3.38Å; P1701-F1704 PolarHBondContact O-N 3.21Å; P1701-S1705 PolarHBondContact O-N 3.41Å; P1701-S1705 PolarHBondContact O-OG 3.46Å |
| 1702 | E | 78.4 | Confident | 83.2 | Confident | 137 Ų | 137 | 68.1 Ų | 68.1 | 64% | 0.64 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.1 | -39.5 | 177.9 | -63.8 | 174.5 | -173.5 | 0 | 0 | 112.6 | S1700 F1704 S1705 Q1706 V1710 | S1700-E1702 PolarHBondContact O-N 3.3Å; S1700-E1702 VanDerWaalsContact O-N 3.14Å; E1702-F1704 VanDerWaalsContact C-N 3.33Å; E1702-F1704 PolarHBondContact O-N 3.07Å; E1702-S1705 PolarHBondContact O-N 3.34Å; E1702-Q1706 PolarHBondContact O-N 3.02Å; E1702-V1710 HydrophobicContact CB-CG2 4.16Å |
| 1703 | Y | 79.8 | Confident | 83.1 | Confident | 24 Ų | 24 | 64.5 Ų | 64.5 | 9% | 0.094 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 179.7 | 179 | -95.8 | 0 | 0 | 0 | 111.9 | W1694 I1697 F1698 S1700 P1701 S1705 P1707 V1710 | W1694-Y1703 HydrophobicContact CH2-CD2 4.24Å; W1694-Y1703 AromaticContact CH2-CE2 3.69Å; W1694-Y1703 HydrophobicContact CH2-CE2 3.69Å; W1694-Y1703 AromaticContact CZ2-CE2 3.96Å; W1694-Y1703 HydrophobicContact CZ2-CE2 3.96Å; I1697-Y1703 VanDerWaalsContact O-CB 3.27Å; I1697-Y1703 WeakPolarHBondContact O-CB 3.31Å; F1698-Y1703 AromaticContact CD2-CD1 3.85Å; F1698-Y1703 HydrophobicContact CD2-CD1 3.85Å; F1698-Y1703 AromaticContact CD2-CE1 3.35Å; F1698-Y1703 HydrophobicContact CD2-CE1 3.35Å; F1698-Y1703 HydrophobicContact CD2-CE2 4.32Å; F1698-Y1703 AromaticContact CD2-CZ 3.62Å; F1698-Y1703 HydrophobicContact CE2-CD1 4.19Å; F1698-Y1703 AromaticContact CE2-CE1 3.4Å; F1698-Y1703 HydrophobicContact CE2-CE1 3.4Å; F1698-Y1703 AromaticContact CE2-CZ 3.84Å; F1698-Y1703 HydrophobicContact CG-CD1 4.36Å; F1698-Y1703 HydrophobicContact CG-CE1 4.27Å; F1698-Y1703 HydrophobicContact CZ-CE1 4.36Å; F1698-Y1703 WeakPolarHBondContact O-CD1 3.27Å; S1700-Y1703 PolarHBondContact O-N 3.21Å; S1700-Y1703 VanDerWaalsContact O-N 3.15Å; P1701-Y1703 VanDerWaalsContact C-N 3.34Å; P1701-Y1703 PolarHBondContact O-N 3.38Å; Y1703-S1705 VanDerWaalsContact C-N 3.34Å; Y1703-S1705 PolarHBondContact O-N 2.94Å; Y1703-P1707 HydrophobicContact CD2-CB 4.08Å; Y1703-P1707 HydrophobicContact CE1-CB 4.21Å; Y1703-P1707 HydrophobicContact CE2-CB 3.68Å; Y1703-P1707 VanDerWaalsContact O-CA 3.22Å; Y1703-P1707 WeakPolarHBondContact O-CA 3.24Å; Y1703-P1707 WeakPolarHBondContact O-CB 3.49Å; Y1703-P1707 VanDerWaalsContact O-CD 3.22Å; Y1703-P1707 WeakPolarHBondContact O-CD 3.46Å; Y1703-V1710 HydrophobicContact CD2-CB 4.43Å; Y1703-V1710 HydrophobicContact CD2-CG1 4.15Å |
| 1704 | F | 75.2 | Confident | 83.1 | Confident | 82 Ų | 82 | 61.7 Ų | 61.7 | 36% | 0.36 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.8 | -33.6 | 178.4 | -68.6 | -75.7 | 0 | 0 | 0 | 112.8 | M1562 S1700 P1701 E1702 | M1562-F1704 HydrophobicContact CE-CB 3.62Å; M1562-F1704 HydrophobicContact CE-CD1 3.33Å; M1562-F1704 HydrophobicContact CE-CE1 4.21Å; M1562-F1704 HydrophobicContact CE-CG 3.71Å; S1700-F1704 WeakPolarHBondContact O-CD2 3.37Å; P1701-F1704 PolarHBondContact O-N 3.21Å; E1702-F1704 VanDerWaalsContact C-N 3.33Å; E1702-F1704 PolarHBondContact O-N 3.07Å |
| 1705 | S | 76.7 | Confident | 82.8 | Confident | 98 Ų | 98 | 62 Ų | 62 | 69% | 0.685 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -75.8 | -41.8 | 176.2 | -57.5 | 0 | 0 | 0 | 0 | 112.5 | P1701 E1702 Y1703 | P1701-S1705 PolarHBondContact O-N 3.41Å; P1701-S1705 PolarHBondContact O-OG 3.46Å; E1702-S1705 PolarHBondContact O-N 3.34Å; Y1703-S1705 VanDerWaalsContact C-N 3.34Å; Y1703-S1705 PolarHBondContact O-N 2.94Å |
| 1706 | Q | 80.4 | Confident | 82.5 | Confident | 96 Ų | 96 | 63.4 Ų | 63.4 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | trans | -145.3 | 69.7 | -172.2 | -62.9 | -175.8 | -2 | 0 | 0 | 112.6 | E1702 D1708 Q1709 V1710 | E1702-Q1706 PolarHBondContact O-N 3.02Å; Q1706-D1708 VanDerWaalsContact C-N 3.25Å; Q1706-D1708 PolarHBondContact O-N 3.16Å; Q1706-Q1709 HydrophobicContact CB-CB 4.18Å; Q1706-Q1709 HydrophobicContact CB-CG 4.32Å; Q1706-Q1709 PolarHBondContact O-N 3.18Å; Q1706-V1710 WeakPolarHBondContact O-CG2 3.35Å; Q1706-V1710 PolarHBondContact O-N 2.8Å; Q1706-V1710 VanDerWaalsContact O-N 3.14Å | ||
| 1707 | P | 81.5 | Confident | 82.4 | Confident | 43 Ų | 43 | 63.4 Ų | 63.4 | 28% | 0.279 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.7 | -34.5 | -171.3 | 23.6 | -33.5 | 0 | 0 | 0 | 112.7 | Y1703 F1711 | Y1703-P1707 HydrophobicContact CD2-CB 4.08Å; Y1703-P1707 HydrophobicContact CE1-CB 4.21Å; Y1703-P1707 HydrophobicContact CE2-CB 3.68Å; Y1703-P1707 VanDerWaalsContact O-CA 3.22Å; Y1703-P1707 WeakPolarHBondContact O-CA 3.24Å; Y1703-P1707 WeakPolarHBondContact O-CB 3.49Å; Y1703-P1707 VanDerWaalsContact O-CD 3.22Å; Y1703-P1707 WeakPolarHBondContact O-CD 3.46Å; P1707-F1711 VanDerWaalsContact O-CB 3.3Å; P1707-F1711 WeakPolarHBondContact O-CB 3.36Å; P1707-F1711 PolarHBondContact O-N 3.39Å |
| 1708 | D | 84.8 | Confident | 82.4 | Confident | 55 Ų | 55 | 61.7 Ų | 61.7 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70 | -43.1 | 179.4 | -73.5 | -42.2 | 0 | 0 | 0 | 113.2 | Q1706 F1711 L1712 Q1774 Y1778 | Q1706-D1708 VanDerWaalsContact C-N 3.25Å; Q1706-D1708 PolarHBondContact O-N 3.16Å; D1708-F1711 PolarHBondContact O-N 3.44Å; D1708-L1712 WeakPolarHBondContact O-CB 3.15Å; D1708-L1712 VanDerWaalsContact O-CG 3.23Å; D1708-L1712 WeakPolarHBondContact O-CG 3.4Å; D1708-L1712 PolarHBondContact O-N 3.37Å; D1708-Q1774 PolarHBondContact OD1-OE1 3.04Å; D1708-Y1778 WeakPolarHBondContact CB-OH 3.48Å; D1708-Y1778 WeakPolarHBondContact OD1-CE2 3.31Å; D1708-Y1778 PolarHBondContact OD1-OH 3.11Å |
| 1709 | Q | 83.2 | Confident | 82.3 | Confident | 122 Ų | 122 | 60.6 Ų | 60.6 | 57% | 0.57 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -69.1 | -42.2 | -180 | -63.8 | -165.5 | 26.8 | 0 | 0 | 111.2 | Q1706 L1712 S1713 | Q1706-Q1709 HydrophobicContact CB-CB 4.18Å; Q1706-Q1709 HydrophobicContact CB-CG 4.32Å; Q1706-Q1709 PolarHBondContact O-N 3.18Å; Q1709-L1712 PolarHBondContact O-N 3.15Å; Q1709-S1713 PolarHBondContact O-N 3.06Å |
| 1710 | V | 85.4 | Confident | 82 | Confident | 16 Ų | 16 | 57.7 Ų | 57.7 | 10% | 0.097 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 176.1 | 174.1 | 0 | 0 | 0 | 0 | 111 | I1697 E1702 Y1703 Q1706 S1713 F1714 | I1697-V1710 HydrophobicContact CG2-CG1 3.09Å; E1702-V1710 HydrophobicContact CB-CG2 4.16Å; Y1703-V1710 HydrophobicContact CD2-CB 4.43Å; Y1703-V1710 HydrophobicContact CD2-CG1 4.15Å; Q1706-V1710 WeakPolarHBondContact O-CG2 3.35Å; Q1706-V1710 PolarHBondContact O-N 2.8Å; Q1706-V1710 VanDerWaalsContact O-N 3.14Å; V1710-S1713 PolarHBondContact O-OG 2.73Å; V1710-F1714 WeakPolarHBondContact O-CB 3.29Å; V1710-F1714 PolarHBondContact O-N 3.45Å |
| 1711 | F | 87.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 172 | 176.9 | -101.1 | 0 | 0 | 0 | 111.9 | W1694 P1707 D1708 S1713 F1714 S1715 M1718 L1771 Q1774 M1775 Y1778 | W1694-F1711 HydrophobicContact CH2-CB 4.06Å; W1694-F1711 AromaticContact CH2-CD2 3.7Å; W1694-F1711 HydrophobicContact CH2-CD2 3.7Å; W1694-F1711 HydrophobicContact CH2-CG 4.36Å; W1694-F1711 HydrophobicContact CZ3-CB 4.29Å; W1694-F1711 AromaticContact CZ3-CD2 3.84Å; W1694-F1711 HydrophobicContact CZ3-CD2 3.84Å; P1707-F1711 VanDerWaalsContact O-CB 3.3Å; P1707-F1711 WeakPolarHBondContact O-CB 3.36Å; P1707-F1711 PolarHBondContact O-N 3.39Å; D1708-F1711 PolarHBondContact O-N 3.44Å; F1711-S1713 VanDerWaalsContact C-N 3.33Å; F1711-S1713 PolarHBondContact O-N 3.09Å; F1711-F1714 CarbonylContact O-C 3.51Å; F1711-F1714 PolarHBondContact O-N 3.22Å; F1711-S1715 WeakPolarHBondContact O-CA 3.42Å; F1711-S1715 WeakPolarHBondContact O-CB 3.4Å; F1711-S1715 PolarHBondContact O-N 3.36Å; F1711-M1718 HydrophobicContact CE2-CE 4.4Å; F1711-M1718 HydrophobicContact CZ-CE 4.1Å; F1711-L1771 HydrophobicContact CD2-CD1 4.45Å; F1711-L1771 HydrophobicContact CE2-CD1 3.95Å; F1711-Q1774 HydrophobicContact CB-CB 4.29Å; F1711-Q1774 HydrophobicContact CB-CG 4.2Å; F1711-Q1774 HydrophobicContact CD1-CB 3.86Å; F1711-Q1774 HydrophobicContact CD2-CB 3.43Å; F1711-Q1774 VanDerWaalsContact CD2-CB 3.43Å; F1711-Q1774 HydrophobicContact CD2-CG 4.1Å; F1711-Q1774 HydrophobicContact CE1-CB 4Å; F1711-Q1774 HydrophobicContact CE2-CB 3.58Å; F1711-Q1774 HydrophobicContact CG-CB 3.56Å; F1711-Q1774 HydrophobicContact CG-CG 4.02Å; F1711-Q1774 HydrophobicContact CZ-CB 3.86Å; F1711-M1775 HydrophobicContact CE2-CG 4.34Å; F1711-M1775 HydrophobicContact CZ-CG 4.16Å; F1711-Y1778 AromaticContact CD1-CD2 3.49Å; F1711-Y1778 HydrophobicContact CD1-CD2 3.49Å; F1711-Y1778 VanDerWaalsContact CD1-CD2 3.49Å; F1711-Y1778 AromaticContact CD1-CE2 3.96Å; F1711-Y1778 HydrophobicContact CD1-CE2 3.96Å; F1711-Y1778 HydrophobicContact CD1-CG 4.25Å; F1711-Y1778 AromaticContact CE1-CD2 3.55Å; F1711-Y1778 HydrophobicContact CE1-CD2 3.55Å; F1711-Y1778 HydrophobicContact CE1-CE2 4.46Å; F1711-Y1778 HydrophobicContact CE1-CG 4.04Å |
| 1712 | L | 85.5 | Confident | 82 | Confident | 78 Ų | 78 | 52.7 Ų | 52.7 | 41% | 0.408 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | -179.4 | -76.5 | 169.7 | 0 | 0 | 0 | 112.3 | D1708 Q1709 S1715 Y1778 | D1708-L1712 WeakPolarHBondContact O-CB 3.15Å; D1708-L1712 VanDerWaalsContact O-CG 3.23Å; D1708-L1712 WeakPolarHBondContact O-CG 3.4Å; D1708-L1712 PolarHBondContact O-N 3.37Å; Q1709-L1712 PolarHBondContact O-N 3.15Å; L1712-S1715 PolarHBondContact O-N 3.12Å; L1712-S1715 PolarHBondContact O-OG 3.49Å; L1712-Y1778 HydrophobicContact CD1-CE1 4.17Å; L1712-Y1778 HydrophobicContact CD2-CD1 3.78Å; L1712-Y1778 HydrophobicContact CD2-CE1 3.9Å; L1712-Y1778 HydrophobicContact CD2-CG 4.23Å; L1712-Y1778 HydrophobicContact CG-CE1 4.2Å |
| 1713 | S | 83.8 | Confident | 81.7 | Confident | 80 Ų | 80 | 49.4 Ų | 49.4 | 56% | 0.559 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.5 | -46.9 | 175 | 66.2 | 0 | 0 | 0 | 0 | 111.6 | Q1709 V1710 F1711 S1715 S1716 | Q1709-S1713 PolarHBondContact O-N 3.06Å; V1710-S1713 PolarHBondContact O-OG 2.73Å; F1711-S1713 VanDerWaalsContact C-N 3.33Å; F1711-S1713 PolarHBondContact O-N 3.09Å; S1713-S1715 PolarHBondContact O-N 3.05Å; S1713-S1716 PolarHBondContact O-OG 3.46Å |
| 1714 | F | 86.3 | Confident | 80.8 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.2 | -37 | 175.6 | 177.9 | -102.4 | 0 | 0 | 0 | 113.1 | M1690 E1693 W1694 I1697 V1710 F1711 S1716 K1717 M1718 L1771 | M1690-F1714 HydrophobicContact CG-CE2 4.2Å; M1690-F1714 HydrophobicContact CG-CZ 3.65Å; M1690-F1714 WeakPolarHBondContact O-CZ 3.49Å; M1690-F1714 HydrophobicContact SD-CE2 3.65Å; M1690-F1714 HydrophobicContact SD-CZ 3.64Å; E1693-F1714 HydrophobicContact CB-CE2 4.41Å; E1693-F1714 HydrophobicContact CG-CE2 4.23Å; W1694-F1714 HydrophobicContact CB-CE1 4.09Å; W1694-F1714 HydrophobicContact CB-CE2 4.17Å; W1694-F1714 HydrophobicContact CB-CZ 3.66Å; W1694-F1714 HydrophobicContact CD2-CD1 4.36Å; W1694-F1714 HydrophobicContact CD2-CE1 4.16Å; W1694-F1714 HydrophobicContact CE3-CB 4.37Å; W1694-F1714 AromaticContact CE3-CD1 3.43Å; W1694-F1714 HydrophobicContact CE3-CD1 3.43Å; W1694-F1714 VanDerWaalsContact CE3-CD1 3.43Å; W1694-F1714 HydrophobicContact CE3-CD2 4.33Å; W1694-F1714 AromaticContact CE3-CE1 3.65Å; W1694-F1714 HydrophobicContact CE3-CE1 3.65Å; W1694-F1714 AromaticContact CE3-CG 3.79Å; W1694-F1714 HydrophobicContact CE3-CG 3.79Å; W1694-F1714 HydrophobicContact CE3-CZ 4.18Å; W1694-F1714 HydrophobicContact CG-CE1 4.36Å; W1694-F1714 HydrophobicContact CG-CZ 4.4Å; W1694-F1714 HydrophobicContact CZ3-CB 4.31Å; W1694-F1714 AromaticContact CZ3-CD1 3.85Å; W1694-F1714 HydrophobicContact CZ3-CD1 3.85Å; W1694-F1714 HydrophobicContact CZ3-CE1 4.45Å; W1694-F1714 HydrophobicContact CZ3-CG 4.18Å; I1697-F1714 HydrophobicContact CD1-CB 4.44Å; I1697-F1714 HydrophobicContact CD1-CD2 3.69Å; I1697-F1714 HydrophobicContact CD1-CE2 4.32Å; I1697-F1714 HydrophobicContact CD1-CG 4.33Å; V1710-F1714 WeakPolarHBondContact O-CB 3.29Å; V1710-F1714 PolarHBondContact O-N 3.45Å; F1711-F1714 CarbonylContact O-C 3.51Å; F1711-F1714 PolarHBondContact O-N 3.22Å; F1714-S1716 VanDerWaalsContact C-N 3.25Å; F1714-S1716 PolarHBondContact O-N 2.86Å; F1714-K1717 WeakPolarHBondContact O-CB 3.32Å; F1714-K1717 PolarHBondContact O-N 2.89Å; F1714-K1717 VanDerWaalsContact O-N 3.13Å; F1714-M1718 HydrophobicContact CE1-CB 4.21Å; F1714-M1718 HydrophobicContact CE1-SD 4.46Å; F1714-M1718 PolarHBondContact O-N 2.87Å; F1714-L1771 HydrophobicContact CD1-CD1 4.45Å; F1714-L1771 HydrophobicContact CE1-CD1 3.87Å |
| 1715 | S | 84.1 | Confident | 79.8 | Confident | 7 Ų | 7 | 53.4 Ų | 53.4 | 5% | 0.049 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -31.1 | -171.2 | 74.4 | 0 | 0 | 0 | 0 | 112.9 | F1711 L1712 S1713 K1717 M1718 W1719 | F1711-S1715 WeakPolarHBondContact O-CA 3.42Å; F1711-S1715 WeakPolarHBondContact O-CB 3.4Å; F1711-S1715 PolarHBondContact O-N 3.36Å; L1712-S1715 PolarHBondContact O-N 3.12Å; L1712-S1715 PolarHBondContact O-OG 3.49Å; S1713-S1715 PolarHBondContact O-N 3.05Å; S1715-K1717 VanDerWaalsContact C-N 3.29Å; S1715-K1717 PolarHBondContact O-N 3.46Å; S1715-M1718 PolarHBondContact O-N 3.19Å; S1715-W1719 WeakPolarHBondContact O-CB 3.43Å; S1715-W1719 PolarHBondContact O-N 3.35Å |
| 1716 | S | 81.3 | Confident | 79.4 | Confident | 81 Ų | 81 | 56 Ų | 56 | 57% | 0.566 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -57.6 | -42.5 | 177.8 | 65.6 | 0 | 0 | 0 | 0 | 112 | S1713 F1714 A1720 | S1713-S1716 PolarHBondContact O-OG 3.46Å; F1714-S1716 VanDerWaalsContact C-N 3.25Å; F1714-S1716 PolarHBondContact O-N 2.86Å; S1716-A1720 WeakPolarHBondContact O-CB 3.39Å; S1716-A1720 PolarHBondContact O-N 2.75Å; S1716-A1720 VanDerWaalsContact O-N 3.08Å |
| 1717 | K | 82.1 | Confident | 79.1 | Confident | 101 Ų | 101 | 54.2 Ų | 54.2 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -71 | -43.8 | 178.8 | -161.5 | -173.1 | -177.5 | 179.8 | 0 | 111.4 | M1690 E1693 F1714 S1715 A1720 L1721 | M1690-K1717 HydrophobicContact CE-CB 4.22Å; M1690-K1717 HydrophobicContact CE-CD 3.9Å; M1690-K1717 HydrophobicContact CE-CG 3.62Å; M1690-K1717 HydrophobicContact SD-CB 4.3Å; M1690-K1717 HydrophobicContact SD-CD 3.87Å; M1690-K1717 HydrophobicContact SD-CG 4.06Å; E1693-K1717 IonicContact OE1-NZ 2.83Å; E1693-K1717 PolarHBondContact OE1-NZ 3.45Å; E1693-K1717 IonicContact OE2-NZ 2.59Å; E1693-K1717 PolarHBondContact OE2-NZ 3.39Å; F1714-K1717 WeakPolarHBondContact O-CB 3.32Å; F1714-K1717 PolarHBondContact O-N 2.89Å; F1714-K1717 VanDerWaalsContact O-N 3.13Å; S1715-K1717 VanDerWaalsContact C-N 3.29Å; S1715-K1717 PolarHBondContact O-N 3.46Å; K1717-A1720 PolarHBondContact O-N 3.36Å; K1717-L1721 PolarHBondContact O-N 2.83Å |
| 1718 | M | 86.5 | Confident | 79.2 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.5 | -48.2 | 178.3 | -179.8 | -163.1 | 71.5 | 0 | 0 | 111.8 | M1690 F1711 F1714 S1715 A1720 L1721 I1722 F1731 L1771 M1775 | M1690-M1718 HydrophobicContact SD-CB 4.5Å; F1711-M1718 HydrophobicContact CE2-CE 4.4Å; F1711-M1718 HydrophobicContact CZ-CE 4.1Å; F1714-M1718 HydrophobicContact CE1-CB 4.21Å; F1714-M1718 HydrophobicContact CE1-SD 4.46Å; F1714-M1718 PolarHBondContact O-N 2.87Å; S1715-M1718 PolarHBondContact O-N 3.19Å; M1718-A1720 VanDerWaalsContact C-N 3.33Å; M1718-A1720 PolarHBondContact O-N 3.14Å; M1718-L1721 WeakPolarHBondContact O-CB 3.41Å; M1718-L1721 PolarHBondContact O-N 3.44Å; M1718-I1722 HydrophobicContact CE-CD1 4.5Å; M1718-I1722 HydrophobicContact CG-CD1 3.92Å; M1718-I1722 WeakPolarHBondContact O-CG1 3.23Å; M1718-I1722 PolarHBondContact O-N 2.7Å; M1718-I1722 HydrophobicContact SD-CD1 4.49Å; M1718-F1731 HydrophobicContact CG-CE2 4.34Å; M1718-F1731 HydrophobicContact CG-CZ 4Å; M1718-F1731 HydrophobicContact SD-CZ 4.28Å; M1718-L1771 HydrophobicContact SD-CD1 4.09Å; M1718-M1775 HydrophobicContact CE-CE 4.19Å; M1718-M1775 HydrophobicContact CE-CG 3.83Å; M1718-M1775 HydrophobicContact CE-SD 4.39Å; M1718-M1775 HydrophobicContact SD-CE 4.06Å; M1718-M1775 HydrophobicContact SD-CG 3.88Å; M1718-M1775 HydrophobicContact SD-SD 3.86Å |
| 1719 | W | 83 | Confident | 79.1 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 4% | 0.038 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.6 | -32.9 | 178.6 | -70.6 | 121.3 | 0 | 0 | 0 | 112.1 | S1715 L1721 I1722 S1723 Q1782 M1783 F1790 | S1715-W1719 WeakPolarHBondContact O-CB 3.43Å; S1715-W1719 PolarHBondContact O-N 3.35Å; W1719-L1721 VanDerWaalsContact C-N 3.34Å; W1719-I1722 HydrophobicContact CE3-CB 4.39Å; W1719-I1722 HydrophobicContact CE3-CD1 4.02Å; W1719-I1722 HydrophobicContact CE3-CG2 4.45Å; W1719-I1722 HydrophobicContact CZ3-CD1 4.15Å; W1719-I1722 HydrophobicContact CZ3-CG2 4.5Å; W1719-I1722 PolarHBondContact O-N 2.97Å; W1719-S1723 WeakPolarHBondContact O-CB 3.27Å; W1719-S1723 PolarHBondContact O-N 3.23Å; W1719-S1723 PolarHBondContact O-OG 3.45Å; W1719-Q1782 HydrophobicContact CD2-CB 4.37Å; W1719-Q1782 HydrophobicContact CG-CG 4.4Å; W1719-M1783 HydrophobicContact CD2-CE 4.32Å; W1719-M1783 HydrophobicContact CE3-CE 3.28Å; W1719-M1783 HydrophobicContact CE3-CG 4.25Å; W1719-M1783 HydrophobicContact CH2-CG 4.02Å; W1719-M1783 HydrophobicContact CZ3-CE 3.48Å; W1719-M1783 VanDerWaalsContact CZ3-CE 3.48Å; W1719-M1783 HydrophobicContact CZ3-CG 3.65Å; W1719-M1783 HydrophobicContact CZ3-SD 4.33Å; W1719-F1790 HydrophobicContact CH2-CE2 4.1Å; W1719-F1790 AromaticContact CH2-CZ 3.85Å; W1719-F1790 HydrophobicContact CH2-CZ 3.85Å |
| 1720 | A | 79.6 | Confident | 79.2 | Confident | 42 Ų | 42 | 48.3 Ų | 48.3 | 35% | 0.347 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.3 | -46.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | S1716 K1717 M1718 I1722 S1723 I1724 | S1716-A1720 WeakPolarHBondContact O-CB 3.39Å; S1716-A1720 PolarHBondContact O-N 2.75Å; S1716-A1720 VanDerWaalsContact O-N 3.08Å; K1717-A1720 PolarHBondContact O-N 3.36Å; M1718-A1720 VanDerWaalsContact C-N 3.33Å; M1718-A1720 PolarHBondContact O-N 3.14Å; A1720-I1722 PolarHBondContact O-N 3.05Å; A1720-S1723 PolarHBondContact O-OG 3.41Å; A1720-I1724 HydrophobicContact CB-CD1 4.46Å; A1720-I1724 WeakPolarHBondContact O-CB 3.19Å; A1720-I1724 WeakPolarHBondContact O-CD1 3.46Å; A1720-I1724 WeakPolarHBondContact O-CG1 3.43Å; A1720-I1724 PolarHBondContact O-N 3.41Å; A1720-I1724 VanDerWaalsContact O-N 3.16Å |
| 1721 | L | 79.2 | Confident | 79.3 | Confident | 20 Ų | 20 | 47.7 Ų | 47.7 | 11% | 0.105 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 177.3 | -177 | 63.6 | 0 | 0 | 0 | 112.9 | F1683 Q1686 V1687 M1690 K1717 M1718 W1719 T1725 | F1683-L1721 HydrophobicContact CD2-CD1 3.98Å; F1683-L1721 HydrophobicContact CD2-CG 4.46Å; F1683-L1721 HydrophobicContact CE2-CD1 3.84Å; F1683-L1721 HydrophobicContact CE2-CD2 4.4Å; F1683-L1721 HydrophobicContact CE2-CG 3.84Å; Q1686-L1721 HydrophobicContact CB-CD1 4.03Å; Q1686-L1721 HydrophobicContact CB-CD2 4.28Å; V1687-L1721 HydrophobicContact CG2-CD2 4Å; M1690-L1721 HydrophobicContact CE-CB 4.4Å; M1690-L1721 HydrophobicContact CE-CD2 4.12Å; K1717-L1721 PolarHBondContact O-N 2.83Å; M1718-L1721 WeakPolarHBondContact O-CB 3.41Å; M1718-L1721 PolarHBondContact O-N 3.44Å; W1719-L1721 VanDerWaalsContact C-N 3.34Å; L1721-T1725 PolarHBondContact O-OG1 3.25Å |
| 1722 | I | 78.5 | Confident | 79.4 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.6 | -44.2 | -177.9 | -64 | 167.6 | 0 | 0 | 0 | 111.8 | M1718 W1719 A1720 T1725 N1726 L1728 F1731 M1775 M1783 | M1718-I1722 HydrophobicContact CE-CD1 4.5Å; M1718-I1722 HydrophobicContact CG-CD1 3.92Å; M1718-I1722 WeakPolarHBondContact O-CG1 3.23Å; M1718-I1722 PolarHBondContact O-N 2.7Å; M1718-I1722 HydrophobicContact SD-CD1 4.49Å; W1719-I1722 HydrophobicContact CE3-CB 4.39Å; W1719-I1722 HydrophobicContact CE3-CD1 4.02Å; W1719-I1722 HydrophobicContact CE3-CG2 4.45Å; W1719-I1722 HydrophobicContact CZ3-CD1 4.15Å; W1719-I1722 HydrophobicContact CZ3-CG2 4.5Å; W1719-I1722 PolarHBondContact O-N 2.97Å; A1720-I1722 PolarHBondContact O-N 3.05Å; I1722-T1725 PolarHBondContact O-N 3.29Å; I1722-T1725 PolarHBondContact O-OG1 2.86Å; I1722-N1726 PolarHBondContact O-N 3.37Å; I1722-L1728 HydrophobicContact CD1-CD1 4.24Å; I1722-L1728 HydrophobicContact CG2-CB 4.02Å; I1722-L1728 HydrophobicContact CG2-CD1 4.31Å; I1722-F1731 HydrophobicContact CD1-CD1 4.27Å; I1722-F1731 HydrophobicContact CD1-CE1 4.49Å; I1722-F1731 HydrophobicContact CD1-CG 4.3Å; I1722-F1731 HydrophobicContact CG1-CD2 4.3Å; I1722-F1731 HydrophobicContact CG1-CG 4.27Å; I1722-M1775 HydrophobicContact CD1-CE 4.04Å; I1722-M1783 HydrophobicContact CG2-CE 4.28Å |
| 1723 | S | 70.9 | Confident | 79.5 | Confident | 67 Ų | 67 | 47.3 Ų | 47.3 | 47% | 0.469 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -74.5 | -35.4 | -173.6 | 60.2 | 0 | 0 | 0 | 0 | 113.7 | W1719 A1720 T1725 | W1719-S1723 WeakPolarHBondContact O-CB 3.27Å; W1719-S1723 PolarHBondContact O-N 3.23Å; W1719-S1723 PolarHBondContact O-OG 3.45Å; A1720-S1723 PolarHBondContact O-OG 3.41Å; S1723-T1725 PolarHBondContact O-N 3.49Å |
| 1724 | I | 61.2 | Low | 79.7 | Confident | 139 Ų | 139 | 44.4 Ų | 44.4 | 71% | 0.713 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -22.1 | 178.2 | -69.4 | 165.6 | 0 | 0 | 0 | 111 | A1720 | A1720-I1724 HydrophobicContact CB-CD1 4.46Å; A1720-I1724 WeakPolarHBondContact O-CB 3.19Å; A1720-I1724 WeakPolarHBondContact O-CD1 3.46Å; A1720-I1724 WeakPolarHBondContact O-CG1 3.43Å; A1720-I1724 PolarHBondContact O-N 3.41Å; A1720-I1724 VanDerWaalsContact O-N 3.16Å |
| 1725 | T | 54.9 | Low | 79.8 | Confident | 51 Ų | 51 | 44 Ų | 44 | 31% | 0.313 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129 | -18 | -161.7 | 63.1 | 0 | 0 | 0 | 0 | 115 | L1721 I1722 S1723 Y1727 | L1721-T1725 PolarHBondContact O-OG1 3.25Å; I1722-T1725 PolarHBondContact O-N 3.29Å; I1722-T1725 PolarHBondContact O-OG1 2.86Å; S1723-T1725 PolarHBondContact O-N 3.49Å; T1725-Y1727 HydrophobicContact CG2-CD2 4.4Å; T1725-Y1727 WeakPolarHBondContact O-CD2 3.46Å; T1725-Y1727 WeakPolarHBondContact O-CE2 3.34Å; T1725-Y1727 WeakPolarHBondContact OG1-CD2 3.31Å |
| 1726 | N | 67.1 | Low | 80.1 | Confident | 154 Ų | 154 | 43.7 Ų | 43.7 | 82% | 0.824 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 34.3 | -168.1 | -78.2 | -27.9 | 0 | 0 | 0 | 114.5 | I1722 | I1722-N1726 PolarHBondContact O-N 3.37Š|
| 1727 | Y | 75.7 | Confident | 80.3 | Confident | 57 Ų | 57 | 43.3 Ų | 43.3 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | trans | -104.9 | 35.2 | -174.3 | -76.8 | -113.5 | 0 | 0 | 0 | 114.3 | I1679 F1683 T1725 D1729 P1730 F1731 | I1679-Y1727 HydrophobicContact CG1-CE1 4.43Å; F1683-Y1727 HydrophobicContact CD1-CD1 4.04Å; F1683-Y1727 AromaticContact CE1-CD1 3.91Å; F1683-Y1727 HydrophobicContact CE1-CD1 3.91Å; F1683-Y1727 HydrophobicContact CE1-CG 4.13Å; F1683-Y1727 HydrophobicContact CE2-CG 4.2Å; F1683-Y1727 HydrophobicContact CG-CD1 4.43Å; F1683-Y1727 HydrophobicContact CZ-CD1 4.22Å; F1683-Y1727 AromaticContact CZ-CG 3.96Å; F1683-Y1727 HydrophobicContact CZ-CG 3.96Å; T1725-Y1727 HydrophobicContact CG2-CD2 4.4Å; T1725-Y1727 WeakPolarHBondContact O-CD2 3.46Å; T1725-Y1727 WeakPolarHBondContact O-CE2 3.34Å; T1725-Y1727 WeakPolarHBondContact OG1-CD2 3.31Å; Y1727-D1729 PolarHBondContact O-N 3.42Å; Y1727-P1730 HydrophobicContact CD1-CB 3.66Å; Y1727-P1730 HydrophobicContact CD1-CG 3.53Å; Y1727-P1730 HydrophobicContact CE1-CG 4.41Å; Y1727-P1730 HydrophobicContact CG-CB 4.28Å; Y1727-P1730 HydrophobicContact CG-CG 4.05Å; Y1727-P1730 WeakPolarHBondContact O-CD 3.14Å; Y1727-F1731 VanDerWaalsContact O-CB 3.23Å; Y1727-F1731 WeakPolarHBondContact O-CB 3.36Å; Y1727-F1731 PolarHBondContact O-N 3.06Å | ||
| 1728 | L | 81.7 | Confident | 80.4 | Confident | 28 Ų | 28 | 40.7 Ų | 40.7 | 15% | 0.147 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.4 | -48.4 | 177.9 | 178.9 | 68.1 | 0 | 0 | 0 | 112.6 | I1722 F1731 I1732 M1775 F1790 | I1722-L1728 HydrophobicContact CD1-CD1 4.24Å; I1722-L1728 HydrophobicContact CG2-CB 4.02Å; I1722-L1728 HydrophobicContact CG2-CD1 4.31Å; L1728-F1731 WeakPolarHBondContact O-CB 3.24Å; L1728-F1731 PolarHBondContact O-N 3.37Å; L1728-I1732 HydrophobicContact CD1-CD1 3.94Å; L1728-I1732 HydrophobicContact CD1-CG1 4.4Å; L1728-I1732 HydrophobicContact CG-CD1 3.89Å; L1728-I1732 WeakPolarHBondContact O-CG1 3.14Å; L1728-I1732 PolarHBondContact O-N 2.92Å; L1728-M1775 HydrophobicContact CD1-CE 4.02Å; L1728-F1790 HydrophobicContact CD1-CE2 3.91Å; L1728-F1790 HydrophobicContact CD1-CZ 3.91Å; L1728-F1790 HydrophobicContact CD2-CD2 4.03Å; L1728-F1790 HydrophobicContact CD2-CE2 3.39Å; L1728-F1790 HydrophobicContact CD2-CZ 4.17Å; L1728-F1790 HydrophobicContact CG-CE2 4.29Å |
| 1729 | D | 84.4 | Confident | 80.4 | Confident | 55 Ų | 55 | 41.1 Ų | 41.1 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.9 | -49.7 | 178.8 | 174.9 | 60.6 | 0 | 0 | 0 | 111.5 | Y1727 F1731 I1732 R1733 S1797 | Y1727-D1729 PolarHBondContact O-N 3.42Å; D1729-F1731 VanDerWaalsContact C-N 3.32Å; D1729-F1731 PolarHBondContact O-N 2.96Å; D1729-I1732 PolarHBondContact O-N 2.89Å; D1729-R1733 VanDerWaalsContact CG-NE 3.31Å; D1729-R1733 WeakPolarHBondContact O-CG 3.23Å; D1729-R1733 PolarHBondContact O-N 3.02Å; D1729-R1733 IonicContact OD1-CZ 3.76Å; D1729-R1733 IonicContact OD1-NE 3.65Å; D1729-R1733 PolarHBondContact OD1-NE 3.37Å; D1729-R1733 IonicContact OD1-NH2 3.4Å; D1729-R1733 PolarHBondContact OD1-NH2 3.11Å; D1729-R1733 IonicContact OD2-CZ 3.88Å; D1729-R1733 IonicContact OD2-NE 2.82Å; D1729-R1733 PolarHBondContact OD2-NE 2.99Å; D1729-R1733 IonicContact OD2-NH2 3.71Å; D1729-R1733 PolarHBondContact OD2-NH2 3.31Å; D1729-S1797 WeakPolarHBondContact OD1-CA 3.27Å; D1729-S1797 WeakPolarHBondContact OD1-CB 3.45Å; D1729-S1797 PolarHBondContact OD1-OG 3.17Å |
| 1730 | P | 84.6 | Confident | 80.5 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.5 | -41.1 | 171.3 | -28.6 | 34 | 0 | 0 | 0 | 114.5 | I1679 F1683 Y1727 R1733 I1734 | I1679-P1730 HydrophobicContact CD1-CB 3.99Å; I1679-P1730 HydrophobicContact CG1-CB 4.22Å; F1683-P1730 HydrophobicContact CE1-CB 4.12Å; Y1727-P1730 HydrophobicContact CD1-CB 3.66Å; Y1727-P1730 HydrophobicContact CD1-CG 3.53Å; Y1727-P1730 HydrophobicContact CE1-CG 4.41Å; Y1727-P1730 HydrophobicContact CG-CB 4.28Å; Y1727-P1730 HydrophobicContact CG-CG 4.05Å; Y1727-P1730 WeakPolarHBondContact O-CD 3.14Å; P1730-R1733 PolarHBondContact O-N 3.23Å; P1730-I1734 WeakPolarHBondContact O-CB 3.33Å; P1730-I1734 WeakPolarHBondContact O-CD1 3.28Å; P1730-I1734 WeakPolarHBondContact O-CG1 3.29Å; P1730-I1734 PolarHBondContact O-N 3.11Å |
| 1731 | F | 87.5 | Confident | 80.6 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.9 | -49.9 | 176.8 | 176.7 | -88.8 | 0 | 0 | 0 | 111.1 | F1683 V1687 M1718 I1722 Y1727 L1728 D1729 R1733 I1734 C1735 L1771 M1775 | F1683-F1731 HydrophobicContact CZ-CB 4.42Å; V1687-F1731 HydrophobicContact CB-CD2 4.41Å; V1687-F1731 HydrophobicContact CG1-CD2 3.83Å; V1687-F1731 HydrophobicContact CG1-CE2 4.01Å; V1687-F1731 HydrophobicContact CG2-CD2 3.79Å; V1687-F1731 HydrophobicContact CG2-CE2 4.42Å; M1718-F1731 HydrophobicContact CG-CE2 4.34Å; M1718-F1731 HydrophobicContact CG-CZ 4Å; M1718-F1731 HydrophobicContact SD-CZ 4.28Å; I1722-F1731 HydrophobicContact CD1-CD1 4.27Å; I1722-F1731 HydrophobicContact CD1-CE1 4.49Å; I1722-F1731 HydrophobicContact CD1-CG 4.3Å; I1722-F1731 HydrophobicContact CG1-CD2 4.3Å; I1722-F1731 HydrophobicContact CG1-CG 4.27Å; Y1727-F1731 VanDerWaalsContact O-CB 3.23Å; Y1727-F1731 WeakPolarHBondContact O-CB 3.36Å; Y1727-F1731 PolarHBondContact O-N 3.06Å; L1728-F1731 WeakPolarHBondContact O-CB 3.24Å; L1728-F1731 PolarHBondContact O-N 3.37Å; D1729-F1731 VanDerWaalsContact C-N 3.32Å; D1729-F1731 PolarHBondContact O-N 2.96Å; F1731-R1733 PolarHBondContact O-N 3.48Å; F1731-I1734 PolarHBondContact O-N 2.93Å; F1731-C1735 WeakPolarHBondContact O-CB 3.47Å; F1731-C1735 PolarHBondContact O-N 2.98Å; F1731-C1735 PolarHBondContact O-SG 2.73Å; F1731-L1771 HydrophobicContact CE1-CD2 4.44Å; F1731-L1771 HydrophobicContact CZ-CD2 4.3Å; F1731-M1775 HydrophobicContact CD1-CE 4.29Å; F1731-M1775 HydrophobicContact CE1-CE 4Å; F1731-M1775 HydrophobicContact CE1-SD 4.06Å |
| 1732 | I | 89.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.5 | -42.2 | 179.7 | -65.5 | 162.7 | 0 | 0 | 0 | 110.9 | L1728 D1729 T1736 Y1768 I1794 I1798 | L1728-I1732 HydrophobicContact CD1-CD1 3.94Å; L1728-I1732 HydrophobicContact CD1-CG1 4.4Å; L1728-I1732 HydrophobicContact CG-CD1 3.89Å; L1728-I1732 WeakPolarHBondContact O-CG1 3.14Å; L1728-I1732 PolarHBondContact O-N 2.92Å; D1729-I1732 PolarHBondContact O-N 2.89Å; I1732-T1736 VanDerWaalsContact O-CB 3.31Å; I1732-T1736 WeakPolarHBondContact O-CB 3.28Å; I1732-T1736 PolarHBondContact O-N 3.35Å; I1732-T1736 PolarHBondContact O-OG1 2.75Å; I1732-Y1768 PolarHBondContact O-OH 3.17Å; I1732-I1794 HydrophobicContact CD1-CB 4.42Å; I1732-I1794 HydrophobicContact CD1-CG1 3.76Å; I1732-I1798 HydrophobicContact CG2-CG1 4.11Å |
| 1733 | R | 88.3 | Confident | 80.6 | Confident | 70 Ų | 70 | 44.3 Ų | 44.3 | 26% | 0.264 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.1 | -47.2 | 178.9 | -70.2 | -177.1 | -167.2 | -158.1 | 11.6 | 112.3 | D1729 P1730 F1731 T1736 Q1737 E1801 | D1729-R1733 VanDerWaalsContact CG-NE 3.31Å; D1729-R1733 WeakPolarHBondContact O-CG 3.23Å; D1729-R1733 PolarHBondContact O-N 3.02Å; D1729-R1733 IonicContact OD1-CZ 3.76Å; D1729-R1733 IonicContact OD1-NE 3.65Å; D1729-R1733 PolarHBondContact OD1-NE 3.37Å; D1729-R1733 IonicContact OD1-NH2 3.4Å; D1729-R1733 PolarHBondContact OD1-NH2 3.11Å; D1729-R1733 IonicContact OD2-CZ 3.88Å; D1729-R1733 IonicContact OD2-NE 2.82Å; D1729-R1733 PolarHBondContact OD2-NE 2.99Å; D1729-R1733 IonicContact OD2-NH2 3.71Å; D1729-R1733 PolarHBondContact OD2-NH2 3.31Å; P1730-R1733 PolarHBondContact O-N 3.23Å; F1731-R1733 PolarHBondContact O-N 3.48Å; R1733-T1736 PolarHBondContact O-N 2.76Å; R1733-Q1737 WeakPolarHBondContact O-CB 3.25Å; R1733-Q1737 PolarHBondContact O-N 3.09Å; R1733-E1801 HydrophobicContact CG-CB 4.38Å |
| 1734 | I | 86.6 | Confident | 80.9 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.5 | -46.5 | 178.9 | -66 | 163.7 | 0 | 0 | 0 | 110.4 | I1679 F1683 A1684 V1687 P1730 F1731 T1736 Q1737 M1738 | I1679-I1734 HydrophobicContact CG2-CD1 4.04Å; F1683-I1734 HydrophobicContact CD1-CD1 4.07Å; F1683-I1734 HydrophobicContact CE1-CD1 4.09Å; A1684-I1734 HydrophobicContact CB-CD1 4.16Å; V1687-I1734 HydrophobicContact CB-CG2 4.2Å; V1687-I1734 HydrophobicContact CG1-CB 4.12Å; V1687-I1734 HydrophobicContact CG1-CG2 3.79Å; V1687-I1734 HydrophobicContact CG2-CD1 4.5Å; P1730-I1734 WeakPolarHBondContact O-CB 3.33Å; P1730-I1734 WeakPolarHBondContact O-CD1 3.28Å; P1730-I1734 WeakPolarHBondContact O-CG1 3.29Å; P1730-I1734 PolarHBondContact O-N 3.11Å; F1731-I1734 PolarHBondContact O-N 2.93Å; I1734-T1736 PolarHBondContact O-N 3.33Å; I1734-Q1737 PolarHBondContact O-N 2.9Å; I1734-M1738 HydrophobicContact CG2-CG 4.37Å; I1734-M1738 HydrophobicContact CG2-SD 3.97Å; I1734-M1738 WeakPolarHBondContact O-CB 3.49Å; I1734-M1738 VanDerWaalsContact O-CG 3.26Å; I1734-M1738 WeakPolarHBondContact O-CG 3.45Å; I1734-M1738 PolarHBondContact O-N 3.24Å |
| 1735 | C | 89 | Confident | 81.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.5 | -44 | 176.6 | -69 | 0 | 0 | 0 | 0 | 111.9 | V1687 L1691 F1731 M1738 S1739 Y1768 | V1687-C1735 VanDerWaalsContact CG1-SG 3.55Å; L1691-C1735 HydrophobicContact CD2-CB 4.27Å; F1731-C1735 WeakPolarHBondContact O-CB 3.47Å; F1731-C1735 PolarHBondContact O-N 2.98Å; F1731-C1735 PolarHBondContact O-SG 2.73Å; C1735-M1738 PolarHBondContact O-N 2.94Å; C1735-S1739 WeakPolarHBondContact O-CB 3.37Å; C1735-S1739 PolarHBondContact O-N 3.01Å; C1735-S1739 PolarHBondContact O-OG 2.98Å; C1735-Y1768 HydrophobicContact CB-CD2 3.9Å; C1735-Y1768 HydrophobicContact CB-CE2 3.4Å; C1735-Y1768 VanDerWaalsContact CB-CE2 3.4Å |
| 1736 | T | 89.8 | Confident | 82 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.9 | -48.5 | 177.1 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | I1732 R1733 I1734 S1739 I1740 Y1768 E1801 M1821 | I1732-T1736 VanDerWaalsContact O-CB 3.31Å; I1732-T1736 WeakPolarHBondContact O-CB 3.28Å; I1732-T1736 PolarHBondContact O-N 3.35Å; I1732-T1736 PolarHBondContact O-OG1 2.75Å; R1733-T1736 PolarHBondContact O-N 2.76Å; I1734-T1736 PolarHBondContact O-N 3.33Å; T1736-S1739 PolarHBondContact O-N 3.38Å; T1736-I1740 HydrophobicContact CG2-CD1 3.76Å; T1736-I1740 WeakPolarHBondContact O-CB 3.42Å; T1736-I1740 VanDerWaalsContact O-CG1 3.29Å; T1736-I1740 WeakPolarHBondContact O-CG1 3.25Å; T1736-I1740 PolarHBondContact O-N 2.88Å; T1736-Y1768 PolarHBondContact OG1-OH 3.18Å; T1736-E1801 HydrophobicContact CG2-CG 4.19Å; T1736-M1821 HydrophobicContact CG2-CE 4.23Å; T1736-M1821 HydrophobicContact CG2-SD 4.09Å |
| 1737 | Q | 86.5 | Confident | 82.1 | Confident | 74 Ų | 74 | 32.9 Ų | 32.9 | 35% | 0.346 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.3 | -50.6 | 178.8 | -179.4 | 178.7 | 1.9 | 0 | 0 | 110.9 | R1733 I1734 S1739 I1740 D1741 | R1733-Q1737 WeakPolarHBondContact O-CB 3.25Å; R1733-Q1737 PolarHBondContact O-N 3.09Å; I1734-Q1737 PolarHBondContact O-N 2.9Å; Q1737-S1739 PolarHBondContact O-N 2.91Å; Q1737-I1740 PolarHBondContact O-N 3.12Å; Q1737-D1741 WeakPolarHBondContact O-CB 3.34Å; Q1737-D1741 PolarHBondContact O-N 3.09Å |
| 1738 | M | 84.8 | Confident | 81.7 | Confident | 45 Ų | 45 | 33.7 Ų | 33.7 | 22% | 0.222 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.5 | -41.3 | 179.9 | -73.7 | -177.8 | 74.5 | 0 | 0 | 113.2 | Q1688 L1691 I1734 C1735 D1741 L1742 | Q1688-M1738 HydrophobicContact CB-CE 3.61Å; Q1688-M1738 HydrophobicContact CB-SD 3.83Å; Q1688-M1738 HydrophobicContact CG-CE 3.43Å; Q1688-M1738 VanDerWaalsContact CG-CE 3.43Å; Q1688-M1738 HydrophobicContact CG-SD 4.33Å; L1691-M1738 HydrophobicContact CD2-CB 4.23Å; L1691-M1738 HydrophobicContact CD2-SD 4.38Å; I1734-M1738 HydrophobicContact CG2-CG 4.37Å; I1734-M1738 HydrophobicContact CG2-SD 3.97Å; I1734-M1738 WeakPolarHBondContact O-CB 3.49Å; I1734-M1738 VanDerWaalsContact O-CG 3.26Å; I1734-M1738 WeakPolarHBondContact O-CG 3.45Å; I1734-M1738 PolarHBondContact O-N 3.24Å; C1735-M1738 PolarHBondContact O-N 2.94Å; M1738-D1741 PolarHBondContact O-N 3.1Å; M1738-L1742 WeakPolarHBondContact O-CB 3.5Å; M1738-L1742 PolarHBondContact O-N 3.33Å |
| 1739 | S | 86 | Confident | 80.4 | Confident | 9 Ų | 9 | 35.8 Ų | 35.8 | 6% | 0.063 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68 | -40.3 | 178.1 | -66.2 | 0 | 0 | 0 | 0 | 112 | C1735 T1736 Q1737 L1742 C1743 Y1768 | C1735-S1739 WeakPolarHBondContact O-CB 3.37Å; C1735-S1739 PolarHBondContact O-N 3.01Å; C1735-S1739 PolarHBondContact O-OG 2.98Å; T1736-S1739 PolarHBondContact O-N 3.38Å; Q1737-S1739 PolarHBondContact O-N 2.91Å; S1739-L1742 PolarHBondContact O-N 3.17Å; S1739-C1743 PolarHBondContact O-N 3.02Å; S1739-Y1768 WeakPolarHBondContact OG-CB 3.2Å |
| 1740 | I | 84.4 | Confident | 78.6 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64 | -46.3 | 174 | -70.3 | 170.8 | 0 | 0 | 0 | 110.5 | T1736 Q1737 L1742 C1743 H1744 M1765 I1818 | T1736-I1740 HydrophobicContact CG2-CD1 3.76Å; T1736-I1740 WeakPolarHBondContact O-CB 3.42Å; T1736-I1740 VanDerWaalsContact O-CG1 3.29Å; T1736-I1740 WeakPolarHBondContact O-CG1 3.25Å; T1736-I1740 PolarHBondContact O-N 2.88Å; Q1737-I1740 PolarHBondContact O-N 3.12Å; I1740-L1742 VanDerWaalsContact C-N 3.32Å; I1740-L1742 PolarHBondContact O-N 3.37Å; I1740-C1743 WeakPolarHBondContact O-CB 3.38Å; I1740-C1743 PolarHBondContact O-N 3.24Å; I1740-H1744 PolarHBondContact O-CD2 3.02Å; I1740-H1744 PolarHBondContact O-N 3.1Å; I1740-M1765 HydrophobicContact CG1-CE 4.27Å; I1740-I1818 HydrophobicContact CD1-CD1 4.47Å; I1740-I1818 HydrophobicContact CD1-CG1 3.96Å; I1740-I1818 HydrophobicContact CG1-CG1 4.45Å |
| 1741 | D | 81.8 | Confident | 76.7 | Confident | 47 Ų | 47 | 46.4 Ų | 46.4 | 25% | 0.251 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 179.1 | -68.5 | -12.8 | 0 | 0 | 0 | 111.3 | Q1737 M1738 H1744 C1745 R1809 | Q1737-D1741 WeakPolarHBondContact O-CB 3.34Å; Q1737-D1741 PolarHBondContact O-N 3.09Å; M1738-D1741 PolarHBondContact O-N 3.1Å; D1741-H1744 WeakPolarHBondContact O-CB 3.17Å; D1741-H1744 PolarHBondContact O-N 3.07Å; D1741-C1745 PolarHBondContact O-N 2.9Å; D1741-C1745 PolarHBondContact O-SG 3.45Å; D1741-C1745 VanDerWaalsContact O-SG 3.38Å; D1741-R1809 IonicContact OD1-CZ 2.83Å; D1741-R1809 IonicContact OD1-NH2 3.21Å; D1741-R1809 PolarHBondContact OD1-NH2 3.45Å |
| 1742 | L | 80.1 | Confident | 74.5 | Confident | 95 Ų | 95 | 47.8 Ų | 47.8 | 50% | 0.497 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 175.6 | -174.3 | 59.7 | 0 | 0 | 0 | 112 | M1738 S1739 I1740 H1744 C1745 V1746 V1764 | M1738-L1742 WeakPolarHBondContact O-CB 3.5Å; M1738-L1742 PolarHBondContact O-N 3.33Å; S1739-L1742 PolarHBondContact O-N 3.17Å; I1740-L1742 VanDerWaalsContact C-N 3.32Å; I1740-L1742 PolarHBondContact O-N 3.37Å; L1742-H1744 VanDerWaalsContact C-N 3.3Å; L1742-H1744 PolarHBondContact O-N 3.37Å; L1742-C1745 WeakPolarHBondContact O-CB 3.42Å; L1742-C1745 PolarHBondContact O-N 2.9Å; L1742-V1746 WeakPolarHBondContact O-CG2 3.4Å; L1742-V1746 PolarHBondContact O-N 2.63Å; L1742-V1764 HydrophobicContact CB-CG1 4.01Å; L1742-V1764 HydrophobicContact CD2-CG1 3.75Å; L1742-V1764 HydrophobicContact CG-CG1 3.74Å |
| 1743 | C | 79 | Confident | 72.9 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 171.5 | -78.4 | 0 | 0 | 0 | 0 | 111.5 | S1739 I1740 C1745 V1746 M1747 V1764 P1817 | S1739-C1743 PolarHBondContact O-N 3.02Å; I1740-C1743 WeakPolarHBondContact O-CB 3.38Å; I1740-C1743 PolarHBondContact O-N 3.24Å; C1743-C1745 VanDerWaalsContact C-N 3.31Å; C1743-C1745 PolarHBondContact O-N 3.21Å; C1743-V1746 PolarHBondContact O-N 3.01Å; C1743-V1746 VanDerWaalsContact O-N 3.15Å; C1743-M1747 WeakPolarHBondContact O-CB 3.44Å; C1743-M1747 WeakPolarHBondContact O-CG 3.27Å; C1743-M1747 PolarHBondContact O-N 3.4Å; C1743-V1764 WeakPolarHBondContact SG-CG1 3.42Å; C1743-P1817 HydrophobicContact CB-CB 3.66Å; C1743-P1817 HydrophobicContact CB-CG 3.52Å |
| 1744 | H | 76.9 | Confident | 71.5 | Confident | 23 Ų | 23 | 54.5 Ų | 54.5 | 11% | 0.106 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.8 | -41.6 | 175.1 | -84.6 | -82.7 | 0 | 0 | 0 | 112.4 | I1740 D1741 L1742 M1747 S1748 R1814 | I1740-H1744 PolarHBondContact O-CD2 3.02Å; I1740-H1744 PolarHBondContact O-N 3.1Å; D1741-H1744 WeakPolarHBondContact O-CB 3.17Å; D1741-H1744 PolarHBondContact O-N 3.07Å; L1742-H1744 VanDerWaalsContact C-N 3.3Å; L1742-H1744 PolarHBondContact O-N 3.37Å; H1744-M1747 PolarHBondContact O-N 3.41Å; H1744-S1748 PolarHBondContact O-N 3.29Å; H1744-R1814 WeakPolarHBondContact CE1-CB 3.49Å; H1744-R1814 VanDerWaalsContact CE1-CG 3.49Å; H1744-R1814 WeakPolarHBondContact CE1-CG 3.42Å; H1744-R1814 PolarHBondContact CE1-N 2.81Å |
| 1745 | C | 71 | Confident | 70.2 | Confident | 85 Ų | 85 | 57.9 Ų | 57.9 | 57% | 0.574 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65 | -36.4 | 174.1 | -64.2 | 0 | 0 | 0 | 0 | 113 | D1741 L1742 C1743 S1748 | D1741-C1745 PolarHBondContact O-N 2.9Å; D1741-C1745 PolarHBondContact O-SG 3.45Å; D1741-C1745 VanDerWaalsContact O-SG 3.38Å; L1742-C1745 WeakPolarHBondContact O-CB 3.42Å; L1742-C1745 PolarHBondContact O-N 2.9Å; C1743-C1745 VanDerWaalsContact C-N 3.31Å; C1743-C1745 PolarHBondContact O-N 3.21Å; C1745-S1748 PolarHBondContact O-N 3.34Å; C1745-S1748 PolarHBondContact O-OG 2.68Å |
| 1746 | V | 68.4 | Low | 69.1 | Low | 38 Ų | 38 | 59.8 Ų | 59.8 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -74.7 | -31.3 | 177 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | L1742 C1743 R1760 V1764 | L1742-V1746 WeakPolarHBondContact O-CG2 3.4Å; L1742-V1746 PolarHBondContact O-N 2.63Å; C1743-V1746 PolarHBondContact O-N 3.01Å; C1743-V1746 VanDerWaalsContact O-N 3.15Å; V1746-R1760 HydrophobicContact CG1-CB 3.71Å; V1746-R1760 HydrophobicContact CG1-CG 4.26Å; V1746-R1760 PolarHBondContact O-NH2 3.4Å; V1746-V1764 HydrophobicContact CG2-CG2 3.97Å |
| 1747 | M | 69 | Low | 68.1 | Low | 26 Ų | 26 | 60.6 Ų | 60.6 | 13% | 0.128 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -81.4 | -11.2 | 176.1 | -61 | 177.7 | 75.2 | 0 | 0 | 113.3 | C1743 H1744 D1749 T1757 R1814 L1816 P1817 | C1743-M1747 WeakPolarHBondContact O-CB 3.44Å; C1743-M1747 WeakPolarHBondContact O-CG 3.27Å; C1743-M1747 PolarHBondContact O-N 3.4Å; H1744-M1747 PolarHBondContact O-N 3.41Å; M1747-D1749 PolarHBondContact O-N 3.08Å; M1747-T1757 HydrophobicContact CB-CG2 4.37Å; M1747-T1757 HydrophobicContact CE-CG2 3.83Å; M1747-T1757 HydrophobicContact CG-CG2 3.71Å; M1747-T1757 HydrophobicContact SD-CG2 4.47Å; M1747-R1814 VanDerWaalsContact C-NH1 3.33Å; M1747-R1814 HydrophobicContact CE-CB 4.4Å; M1747-R1814 PolarHBondContact O-NH1 3.36Å; M1747-R1814 HydrophobicContact SD-CB 4.33Å; M1747-L1816 HydrophobicContact CE-CB 4.25Å; M1747-L1816 HydrophobicContact CE-CD2 3.97Å; M1747-P1817 HydrophobicContact SD-CG 3.8Å |
| 1748 | S | 65.6 | Low | 67.4 | Low | 73 Ų | 73 | 62 Ų | 62 | 51% | 0.51 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -14.2 | 173.5 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | H1744 C1745 Q1750 | H1744-S1748 PolarHBondContact O-N 3.29Å; C1745-S1748 PolarHBondContact O-N 3.34Å; C1745-S1748 PolarHBondContact O-OG 2.68Å; S1748-Q1750 WeakPolarHBondContact O-CG 2.84Å; S1748-Q1750 PolarHBondContact O-N 2.93Å; S1748-Q1750 VanDerWaalsContact O-N 3.11Å |
| 1749 | D | 54.4 | Low | 66.7 | Low | 73 Ų | 73 | 64.6 Ų | 64.6 | 39% | 0.39 | 36% | 0.359 | S | S | . | . | trans | -71.1 | 98.3 | 169.1 | -177.1 | 14.8 | 0 | 0 | 0 | 110.1 | M1747 L1751 R1760 | M1747-D1749 PolarHBondContact O-N 3.08Å; D1749-L1751 PolarHBondContact O-N 3.01Å; D1749-R1760 PolarHBondContact O-NH2 3.23Å; D1749-R1760 IonicContact OD2-CZ 2.67Å; D1749-R1760 IonicContact OD2-NH1 2.64Å; D1749-R1760 PolarHBondContact OD2-NH1 3.05Å; D1749-R1760 IonicContact OD2-NH2 3.85Å | ||
| 1750 | Q | 47 | Very low | 66.2 | Low | 175 Ų | 175 | 67.2 Ų | 67.2 | 82% | 0.818 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -7.9 | -166.8 | -59.4 | -173.5 | 5.2 | 0 | 0 | 114.4 | S1748 | S1748-Q1750 WeakPolarHBondContact O-CG 2.84Å; S1748-Q1750 PolarHBondContact O-N 2.93Å; S1748-Q1750 VanDerWaalsContact O-N 3.11Å |
| 1751 | L | 44.2 | Very low | 66 | Low | 117 Ų | 117 | 67 Ų | 67 | 61% | 0.613 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -11.3 | -173 | -74.5 | 161.3 | 0 | 0 | 0 | 115.3 | P1116 D1749 | P1116-L1751 HydrophobicContact CB-CD2 4.42Å; P1116-L1751 HydrophobicContact CG-CD2 3.67Å; D1749-L1751 PolarHBondContact O-N 3.01Å |
| 1752 | A | 42.3 | Very low | 65.7 | Low | 31 Ų | 31 | 66.2 Ų | 66.2 | 26% | 0.256 | 37% | 0.365 | S | S | . | . | trans | -95.6 | 133.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1756 T1757 | A1752-A1756 HydrophobicContact CB-CB 4.12Å; A1752-T1757 PolarHBondContact O-OG1 2.91Å | ||
| 1753 | D | 56.8 | Low | 65.6 | Low | 102 Ų | 102 | 65.3 Ų | 65.3 | 55% | 0.545 | 36% | 0.363 | S | S | . | . | trans | -51.4 | 156.4 | 167.5 | 177.1 | 34.6 | 0 | 0 | 0 | 112.6 | V1755 A1756 T1757 | D1753-V1755 VanDerWaalsContact C-N 3.26Å; D1753-V1755 PolarHBondContact O-N 3.31Å; D1753-A1756 HydrophobicContact CB-CB 4.43Å; D1753-A1756 PolarHBondContact O-N 3.49Å; D1753-T1757 WeakPolarHBondContact O-CB 3.46Å; D1753-T1757 PolarHBondContact O-N 3.42Å; D1753-T1757 PolarHBondContact O-OG1 3.26Å | ||
| 1754 | V | 59 | Low | 65.8 | Low | 108 Ų | 108 | 66.6 Ų | 66.6 | 66% | 0.655 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -57.5 | -39.3 | 179.6 | 179 | 0 | 0 | 0 | 0 | 111.2 | R1758 | V1754-R1758 WeakPolarHBondContact O-CB 3.4Å; V1754-R1758 PolarHBondContact O-N 2.81Å |
| 1755 | V | 57.6 | Low | 66.2 | Low | 91 Ų | 91 | 65.5 Ų | 65.5 | 55% | 0.552 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -66.9 | -47.4 | 177.6 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | D1753 T1757 R1758 I1759 | D1753-V1755 VanDerWaalsContact C-N 3.26Å; D1753-V1755 PolarHBondContact O-N 3.31Å; V1755-T1757 VanDerWaalsContact C-N 3.34Å; V1755-T1757 PolarHBondContact O-N 2.88Å; V1755-R1758 PolarHBondContact O-N 2.83Å; V1755-I1759 HydrophobicContact CG1-CD1 4.01Å; V1755-I1759 WeakPolarHBondContact O-CG1 3.45Å; V1755-I1759 PolarHBondContact O-N 3.4Å |
| 1756 | A | 67.2 | Low | 67 | Low | 40 Ų | 40 | 62.2 Ų | 62.2 | 33% | 0.331 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1752 D1753 R1758 I1759 R1760 | A1752-A1756 HydrophobicContact CB-CB 4.12Å; D1753-A1756 HydrophobicContact CB-CB 4.43Å; D1753-A1756 PolarHBondContact O-N 3.49Å; A1756-R1758 VanDerWaalsContact C-N 3.35Å; A1756-R1758 PolarHBondContact O-N 3.24Å; A1756-I1759 PolarHBondContact O-N 3.28Å; A1756-R1760 WeakPolarHBondContact O-CB 3.48Å; A1756-R1760 WeakPolarHBondContact O-CG 3.46Å; A1756-R1760 PolarHBondContact O-N 3.03Å |
| 1757 | T | 69.1 | Low | 68 | Low | 17 Ų | 17 | 60.5 Ų | 60.5 | 10% | 0.104 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63 | -40.6 | 176.4 | -61 | 0 | 0 | 0 | 0 | 111.8 | M1747 A1752 D1753 V1755 R1760 C1761 L1816 | M1747-T1757 HydrophobicContact CB-CG2 4.37Å; M1747-T1757 HydrophobicContact CE-CG2 3.83Å; M1747-T1757 HydrophobicContact CG-CG2 3.71Å; M1747-T1757 HydrophobicContact SD-CG2 4.47Å; A1752-T1757 PolarHBondContact O-OG1 2.91Å; D1753-T1757 WeakPolarHBondContact O-CB 3.46Å; D1753-T1757 PolarHBondContact O-N 3.42Å; D1753-T1757 PolarHBondContact O-OG1 3.26Å; V1755-T1757 VanDerWaalsContact C-N 3.34Å; V1755-T1757 PolarHBondContact O-N 2.88Å; T1757-R1760 PolarHBondContact O-N 3.21Å; T1757-C1761 WeakPolarHBondContact O-CB 3.38Å; T1757-C1761 PolarHBondContact O-N 3.42Å; T1757-C1761 PolarHBondContact O-SG 3.19Å; T1757-L1816 HydrophobicContact CG2-CD2 4.08Å |
| 1758 | R | 71 | Confident | 69.1 | Low | 105 Ų | 105 | 59.4 Ų | 59.4 | 40% | 0.396 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 173.8 | -176.7 | 175.6 | -82.9 | -165.6 | -12.7 | 111.2 | V1754 V1755 A1756 R1760 C1761 S1762 L1816 E1819 Q1820 | V1754-R1758 WeakPolarHBondContact O-CB 3.4Å; V1754-R1758 PolarHBondContact O-N 2.81Å; V1755-R1758 PolarHBondContact O-N 2.83Å; A1756-R1758 VanDerWaalsContact C-N 3.35Å; A1756-R1758 PolarHBondContact O-N 3.24Å; R1758-R1760 PolarHBondContact O-N 2.98Å; R1758-C1761 PolarHBondContact O-N 2.93Å; R1758-S1762 PolarHBondContact O-N 3.24Å; R1758-S1762 PolarHBondContact O-OG 3.1Å; R1758-L1816 HydrophobicContact CB-CD2 4.46Å; R1758-L1816 HydrophobicContact CG-CD1 4.37Å; R1758-E1819 IonicContact CZ-OE1 2.96Å; R1758-E1819 IonicContact NH2-OE1 3.92Å; R1758-E1819 PolarHBondContact NH2-OE1 3.44Å; R1758-E1819 IonicContact NH2-OE2 4Å; R1758-Q1820 HydrophobicContact CG-CG 4.34Å |
| 1759 | I | 70.2 | Confident | 70.4 | Confident | 98 Ų | 98 | 56.1 Ų | 56.1 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.4 | -47.6 | 176.2 | -67.7 | 166.5 | 0 | 0 | 0 | 110.4 | V1755 A1756 C1761 S1762 V1763 | V1755-I1759 HydrophobicContact CG1-CD1 4.01Å; V1755-I1759 WeakPolarHBondContact O-CG1 3.45Å; V1755-I1759 PolarHBondContact O-N 3.4Å; A1756-I1759 PolarHBondContact O-N 3.28Å; I1759-C1761 VanDerWaalsContact C-N 3.35Å; I1759-C1761 PolarHBondContact O-N 3.31Å; I1759-S1762 WeakPolarHBondContact O-CB 3.34Å; I1759-S1762 PolarHBondContact O-N 3.02Å; I1759-S1762 VanDerWaalsContact O-N 3.1Å; I1759-V1763 HydrophobicContact CG2-CG2 4.38Å; I1759-V1763 WeakPolarHBondContact O-CG2 3.25Å; I1759-V1763 PolarHBondContact O-N 3.3Å |
| 1760 | R | 74.6 | Confident | 72.1 | Confident | 64 Ų | 64 | 53.2 Ų | 53.2 | 24% | 0.242 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 177.2 | -73.8 | -165.4 | -65 | 175.9 | 9.2 | 111.9 | V1746 D1749 A1756 T1757 R1758 S1762 V1763 V1764 | V1746-R1760 HydrophobicContact CG1-CB 3.71Å; V1746-R1760 HydrophobicContact CG1-CG 4.26Å; V1746-R1760 PolarHBondContact O-NH2 3.4Å; D1749-R1760 PolarHBondContact O-NH2 3.23Å; D1749-R1760 IonicContact OD2-CZ 2.67Å; D1749-R1760 IonicContact OD2-NH1 2.64Å; D1749-R1760 PolarHBondContact OD2-NH1 3.05Å; D1749-R1760 IonicContact OD2-NH2 3.85Å; A1756-R1760 WeakPolarHBondContact O-CB 3.48Å; A1756-R1760 WeakPolarHBondContact O-CG 3.46Å; A1756-R1760 PolarHBondContact O-N 3.03Å; T1757-R1760 PolarHBondContact O-N 3.21Å; R1758-R1760 PolarHBondContact O-N 2.98Å; R1760-S1762 PolarHBondContact O-N 2.85Å; R1760-V1763 PolarHBondContact O-N 3.07Å; R1760-V1764 VanDerWaalsContact O-CG2 3.29Å; R1760-V1764 WeakPolarHBondContact O-CG2 3.48Å; R1760-V1764 PolarHBondContact O-N 3.44Å |
| 1761 | C | 80 | Confident | 74.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 173.6 | -67.9 | 0 | 0 | 0 | 0 | 111.8 | T1757 R1758 I1759 V1763 V1764 M1765 Q1820 | T1757-C1761 WeakPolarHBondContact O-CB 3.38Å; T1757-C1761 PolarHBondContact O-N 3.42Å; T1757-C1761 PolarHBondContact O-SG 3.19Å; R1758-C1761 PolarHBondContact O-N 2.93Å; I1759-C1761 VanDerWaalsContact C-N 3.35Å; I1759-C1761 PolarHBondContact O-N 3.31Å; C1761-V1763 VanDerWaalsContact C-N 3.34Å; C1761-V1763 PolarHBondContact O-N 2.88Å; C1761-V1764 PolarHBondContact O-N 2.58Å; C1761-M1765 WeakPolarHBondContact O-CB 3.5Å; C1761-M1765 VanDerWaalsContact O-CG 3.24Å; C1761-M1765 WeakPolarHBondContact O-CG 3.4Å; C1761-M1765 PolarHBondContact O-N 3.46Å; C1761-Q1820 HydrophobicContact CB-CG 4.22Å |
| 1762 | S | 76.4 | Confident | 76.5 | Confident | 30 Ų | 30 | 39.4 Ų | 39.4 | 21% | 0.21 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.8 | -39.4 | 177.3 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | R1758 I1759 R1760 G1766 Q1820 | R1758-S1762 PolarHBondContact O-N 3.24Å; R1758-S1762 PolarHBondContact O-OG 3.1Å; I1759-S1762 WeakPolarHBondContact O-CB 3.34Å; I1759-S1762 PolarHBondContact O-N 3.02Å; I1759-S1762 VanDerWaalsContact O-N 3.1Å; R1760-S1762 PolarHBondContact O-N 2.85Å; S1762-G1766 WeakPolarHBondContact O-CA 3.33Å; S1762-G1766 PolarHBondContact O-N 3.25Å; S1762-Q1820 PolarHBondContact OG-OE1 3.03Å |
| 1763 | V | 78.6 | Confident | 78.9 | Confident | 75 Ų | 75 | 38.8 Ų | 38.8 | 46% | 0.455 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.6 | -49 | 174 | 173.1 | 0 | 0 | 0 | 0 | 109.8 | Y1699 I1759 R1760 C1761 M1765 G1766 P1767 | Y1699-V1763 VanDerWaalsContact OH-CG1 3.23Å; Y1699-V1763 WeakPolarHBondContact OH-CG1 3.41Å; Y1699-V1763 PolarHBondContact OH-O 3.26Å; I1759-V1763 HydrophobicContact CG2-CG2 4.38Å; I1759-V1763 WeakPolarHBondContact O-CG2 3.25Å; I1759-V1763 PolarHBondContact O-N 3.3Å; R1760-V1763 PolarHBondContact O-N 3.07Å; C1761-V1763 VanDerWaalsContact C-N 3.34Å; C1761-V1763 PolarHBondContact O-N 2.88Å; V1763-M1765 PolarHBondContact O-N 3Å; V1763-G1766 PolarHBondContact O-N 3Å; V1763-P1767 WeakPolarHBondContact O-CD 3.14Å |
| 1764 | V | 82.5 | Confident | 80.4 | Confident | 27 Ų | 27 | 34.2 Ų | 34.2 | 16% | 0.164 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -40.8 | 179.4 | 173.4 | 0 | 0 | 0 | 0 | 112.7 | L1742 C1743 V1746 R1760 C1761 | L1742-V1764 HydrophobicContact CB-CG1 4.01Å; L1742-V1764 HydrophobicContact CD2-CG1 3.75Å; L1742-V1764 HydrophobicContact CG-CG1 3.74Å; C1743-V1764 WeakPolarHBondContact SG-CG1 3.42Å; V1746-V1764 HydrophobicContact CG2-CG2 3.97Å; R1760-V1764 VanDerWaalsContact O-CG2 3.29Å; R1760-V1764 WeakPolarHBondContact O-CG2 3.48Å; R1760-V1764 PolarHBondContact O-N 3.44Å; C1761-V1764 PolarHBondContact O-N 2.58Å |
| 1765 | M | 86.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -80.1 | -24.2 | -178.6 | -63.1 | -53.2 | -90.9 | 0 | 0 | 113 | I1740 C1761 V1763 Y1768 V1769 M1821 L1824 | I1740-M1765 HydrophobicContact CG1-CE 4.27Å; C1761-M1765 WeakPolarHBondContact O-CB 3.5Å; C1761-M1765 VanDerWaalsContact O-CG 3.24Å; C1761-M1765 WeakPolarHBondContact O-CG 3.4Å; C1761-M1765 PolarHBondContact O-N 3.46Å; V1763-M1765 PolarHBondContact O-N 3Å; M1765-Y1768 PolarHBondContact O-N 2.91Å; M1765-V1769 WeakPolarHBondContact O-CG2 3.42Å; M1765-V1769 PolarHBondContact O-N 2.94Å; M1765-M1821 HydrophobicContact CE-CB 3.52Å; M1765-M1821 HydrophobicContact CE-CG 3.78Å; M1765-M1821 HydrophobicContact CE-SD 3.69Å; M1765-L1824 HydrophobicContact CB-CD1 4.33Å |
| 1766 | G | 87 | Confident | 83.3 | Confident | 17 Ų | 17 | 24.7 Ų | 24.7 | 18% | 0.175 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -50.5 | -53.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1762 V1763 Y1768 V1769 A1770 | S1762-G1766 WeakPolarHBondContact O-CA 3.33Å; S1762-G1766 PolarHBondContact O-N 3.25Å; V1763-G1766 PolarHBondContact O-N 3Å; G1766-Y1768 PolarHBondContact O-N 3.37Å; G1766-V1769 PolarHBondContact O-N 3.17Å; G1766-A1770 WeakPolarHBondContact O-CB 3.27Å; G1766-A1770 PolarHBondContact O-N 3.4Å |
| 1767 | P | 89 | Confident | 84.3 | Confident | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.013 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.7 | -43.5 | 178.3 | -23.2 | 29.8 | 0 | 0 | 0 | 113 | W1694 V1695 F1698 Y1699 V1763 A1770 L1771 | W1694-P1767 PolarHBondContact NE1-O 3.47Å; V1695-P1767 HydrophobicContact CB-CB 4.45Å; V1695-P1767 HydrophobicContact CG1-CG 4.4Å; V1695-P1767 HydrophobicContact CG2-CB 3.86Å; V1695-P1767 HydrophobicContact CG2-CG 4.34Å; F1698-P1767 HydrophobicContact CB-CB 4.06Å; F1698-P1767 HydrophobicContact CB-CG 4.47Å; F1698-P1767 HydrophobicContact CD1-CB 3.99Å; F1698-P1767 HydrophobicContact CD1-CG 3.63Å; F1698-P1767 HydrophobicContact CD2-CB 4.48Å; F1698-P1767 HydrophobicContact CE1-CG 4.06Å; F1698-P1767 HydrophobicContact CG-CB 3.91Å; F1698-P1767 HydrophobicContact CG-CG 4.09Å; Y1699-P1767 HydrophobicContact CE2-CG 3.71Å; V1763-P1767 WeakPolarHBondContact O-CD 3.14Å; P1767-A1770 PolarHBondContact O-N 3.37Å; P1767-L1771 PolarHBondContact O-N 3.4Å |
| 1768 | Y | 93.3 | Very high | 85 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66 | -44.6 | -179.9 | 173.1 | -126.5 | 0 | 0 | 0 | 111.7 | L1691 I1732 C1735 T1736 S1739 M1765 G1766 A1770 L1771 L1772 M1821 | L1691-Y1768 HydrophobicContact CD1-CD2 4.42Å; I1732-Y1768 PolarHBondContact O-OH 3.17Å; C1735-Y1768 HydrophobicContact CB-CD2 3.9Å; C1735-Y1768 HydrophobicContact CB-CE2 3.4Å; C1735-Y1768 VanDerWaalsContact CB-CE2 3.4Å; T1736-Y1768 PolarHBondContact OG1-OH 3.18Å; S1739-Y1768 WeakPolarHBondContact OG-CB 3.2Å; M1765-Y1768 PolarHBondContact O-N 2.91Å; G1766-Y1768 PolarHBondContact O-N 3.37Å; Y1768-A1770 VanDerWaalsContact C-N 3.34Å; Y1768-A1770 PolarHBondContact O-N 2.97Å; Y1768-L1771 VanDerWaalsContact O-CB 3.3Å; Y1768-L1771 WeakPolarHBondContact O-CB 3.3Å; Y1768-L1771 PolarHBondContact O-N 3.28Å; Y1768-L1772 HydrophobicContact CD1-CD1 4.5Å; Y1768-L1772 HydrophobicContact CD2-CG 4.42Å; Y1768-L1772 HydrophobicContact CE1-CD1 3.89Å; Y1768-L1772 HydrophobicContact CE2-CD1 4.11Å; Y1768-L1772 HydrophobicContact CE2-CD2 3.93Å; Y1768-L1772 HydrophobicContact CE2-CG 3.88Å; Y1768-L1772 PolarHBondContact O-N 3.38Å; Y1768-M1821 HydrophobicContact CD1-SD 4.19Å; Y1768-M1821 HydrophobicContact CE1-CG 4.46Å; Y1768-M1821 HydrophobicContact CE1-SD 3.69Å |
| 1769 | V | 92.6 | Very high | 85.3 | Confident | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.024 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.7 | -40.9 | 177.4 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | M1765 G1766 L1771 L1772 I1773 M1821 L1824 L1825 | M1765-V1769 WeakPolarHBondContact O-CG2 3.42Å; M1765-V1769 PolarHBondContact O-N 2.94Å; G1766-V1769 PolarHBondContact O-N 3.17Å; V1769-L1771 VanDerWaalsContact C-N 3.3Å; V1769-L1771 PolarHBondContact O-N 3.19Å; V1769-L1772 PolarHBondContact O-N 3.39Å; V1769-I1773 HydrophobicContact CG1-CD1 3.72Å; V1769-I1773 HydrophobicContact CG1-CG1 4.41Å; V1769-I1773 WeakPolarHBondContact O-CD1 3.37Å; V1769-I1773 WeakPolarHBondContact O-CG1 3.44Å; V1769-I1773 PolarHBondContact O-N 3.2Å; V1769-M1821 HydrophobicContact CG2-CG 3.98Å; V1769-L1824 HydrophobicContact CB-CB 4.31Å; V1769-L1824 HydrophobicContact CG1-CB 3.83Å; V1769-L1824 HydrophobicContact CG2-CB 4.17Å; V1769-L1825 HydrophobicContact CG1-CB 4.02Å; V1769-L1825 HydrophobicContact CG1-CD1 4.47Å |
| 1770 | A | 90.5 | Very high | 85 | Confident | 12 Ų | 12 | 17.2 Ų | 17.2 | 10% | 0.099 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.3 | -39.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | F1698 G1766 P1767 Y1768 I1773 Q1774 | F1698-A1770 HydrophobicContact CD2-CB 3.79Å; F1698-A1770 HydrophobicContact CE2-CB 3.41Å; F1698-A1770 VanDerWaalsContact CE2-CB 3.41Å; F1698-A1770 HydrophobicContact CZ-CB 4.41Å; G1766-A1770 WeakPolarHBondContact O-CB 3.27Å; G1766-A1770 PolarHBondContact O-N 3.4Å; P1767-A1770 PolarHBondContact O-N 3.37Å; Y1768-A1770 VanDerWaalsContact C-N 3.34Å; Y1768-A1770 PolarHBondContact O-N 2.97Å; A1770-I1773 PolarHBondContact O-N 2.65Å; A1770-Q1774 WeakPolarHBondContact O-CB 3.34Å; A1770-Q1774 VanDerWaalsContact O-CG 3.29Å; A1770-Q1774 WeakPolarHBondContact O-CG 3.15Å; A1770-Q1774 PolarHBondContact O-N 3.26Å |
| 1771 | L | 91.6 | Very high | 84.5 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.3 | -50.2 | 172.9 | -174.7 | 62.9 | 0 | 0 | 0 | 111 | L1691 W1694 F1711 F1714 M1718 F1731 P1767 Y1768 V1769 I1773 Q1774 M1775 | L1691-L1771 HydrophobicContact CD1-CD2 4.28Å; W1694-L1771 HydrophobicContact CD2-CD1 3.83Å; W1694-L1771 HydrophobicContact CE3-CD1 4.25Å; W1694-L1771 HydrophobicContact CG-CB 4.47Å; W1694-L1771 HydrophobicContact CG-CD1 4.08Å; W1694-L1771 HydrophobicContact CG-CD2 4.48Å; W1694-L1771 HydrophobicContact CZ2-CB 4.41Å; W1694-L1771 HydrophobicContact CZ2-CD1 4.31Å; F1711-L1771 HydrophobicContact CD2-CD1 4.45Å; F1711-L1771 HydrophobicContact CE2-CD1 3.95Å; F1714-L1771 HydrophobicContact CD1-CD1 4.45Å; F1714-L1771 HydrophobicContact CE1-CD1 3.87Å; M1718-L1771 HydrophobicContact SD-CD1 4.09Å; F1731-L1771 HydrophobicContact CE1-CD2 4.44Å; F1731-L1771 HydrophobicContact CZ-CD2 4.3Å; P1767-L1771 PolarHBondContact O-N 3.4Å; Y1768-L1771 VanDerWaalsContact O-CB 3.3Å; Y1768-L1771 WeakPolarHBondContact O-CB 3.3Å; Y1768-L1771 PolarHBondContact O-N 3.28Å; V1769-L1771 VanDerWaalsContact C-N 3.3Å; V1769-L1771 PolarHBondContact O-N 3.19Å; L1771-I1773 VanDerWaalsContact C-N 3.34Å; L1771-I1773 PolarHBondContact O-N 3.06Å; L1771-Q1774 PolarHBondContact O-N 3.19Å; L1771-M1775 HydrophobicContact CG-CG 4.44Å; L1771-M1775 HydrophobicContact CG-SD 4.03Å; L1771-M1775 WeakPolarHBondContact O-CB 3.5Å; L1771-M1775 WeakPolarHBondContact O-CG 3.14Å; L1771-M1775 PolarHBondContact O-N 3.28Å |
| 1772 | L | 92 | Very high | 83.7 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.4 | -44.3 | 179.3 | -67 | 178.7 | 0 | 0 | 0 | 112 | Y1768 V1769 M1775 V1776 I1794 I1798 L1825 | Y1768-L1772 HydrophobicContact CD1-CD1 4.5Å; Y1768-L1772 HydrophobicContact CD2-CG 4.42Å; Y1768-L1772 HydrophobicContact CE1-CD1 3.89Å; Y1768-L1772 HydrophobicContact CE2-CD1 4.11Å; Y1768-L1772 HydrophobicContact CE2-CD2 3.93Å; Y1768-L1772 HydrophobicContact CE2-CG 3.88Å; Y1768-L1772 PolarHBondContact O-N 3.38Å; V1769-L1772 PolarHBondContact O-N 3.39Å; L1772-M1775 PolarHBondContact O-N 3.4Å; L1772-V1776 VanDerWaalsContact O-CG2 3.31Å; L1772-V1776 WeakPolarHBondContact O-CG2 3.39Å; L1772-V1776 PolarHBondContact O-N 3.02Å; L1772-I1794 HydrophobicContact CD1-CG2 4.26Å; L1772-I1794 HydrophobicContact CD2-CD1 4.4Å; L1772-I1794 HydrophobicContact CD2-CG2 4.11Å; L1772-I1798 HydrophobicContact CD1-CD1 3.99Å; L1772-L1825 HydrophobicContact CB-CD1 4.23Å |
| 1773 | I | 91.4 | Very high | 83 | Confident | 19 Ų | 19 | 28.4 Ų | 28.4 | 10% | 0.097 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.3 | -46.5 | 178 | -68.3 | 157.8 | 0 | 0 | 0 | 110.4 | V1769 A1770 L1771 V1776 K1777 L1825 | V1769-I1773 HydrophobicContact CG1-CD1 3.72Å; V1769-I1773 HydrophobicContact CG1-CG1 4.41Å; V1769-I1773 WeakPolarHBondContact O-CD1 3.37Å; V1769-I1773 WeakPolarHBondContact O-CG1 3.44Å; V1769-I1773 PolarHBondContact O-N 3.2Å; A1770-I1773 PolarHBondContact O-N 2.65Å; L1771-I1773 VanDerWaalsContact C-N 3.34Å; L1771-I1773 PolarHBondContact O-N 3.06Å; I1773-V1776 PolarHBondContact O-N 2.78Å; I1773-K1777 WeakPolarHBondContact O-CG 3.48Å; I1773-K1777 PolarHBondContact O-N 2.75Å; I1773-L1825 HydrophobicContact CG1-CD1 3.98Å |
| 1774 | Q | 89.7 | Confident | 82.5 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 2% | 0.023 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65 | -39.7 | 178.3 | -70.4 | -65 | -0.5 | 0 | 0 | 112.2 | D1708 F1711 A1770 L1771 V1776 K1777 Y1778 | D1708-Q1774 PolarHBondContact OD1-OE1 3.04Å; F1711-Q1774 HydrophobicContact CB-CB 4.29Å; F1711-Q1774 HydrophobicContact CB-CG 4.2Å; F1711-Q1774 HydrophobicContact CD1-CB 3.86Å; F1711-Q1774 HydrophobicContact CD2-CB 3.43Å; F1711-Q1774 VanDerWaalsContact CD2-CB 3.43Å; F1711-Q1774 HydrophobicContact CD2-CG 4.1Å; F1711-Q1774 HydrophobicContact CE1-CB 4Å; F1711-Q1774 HydrophobicContact CE2-CB 3.58Å; F1711-Q1774 HydrophobicContact CG-CB 3.56Å; F1711-Q1774 HydrophobicContact CG-CG 4.02Å; F1711-Q1774 HydrophobicContact CZ-CB 3.86Å; A1770-Q1774 WeakPolarHBondContact O-CB 3.34Å; A1770-Q1774 VanDerWaalsContact O-CG 3.29Å; A1770-Q1774 WeakPolarHBondContact O-CG 3.15Å; A1770-Q1774 PolarHBondContact O-N 3.26Å; L1771-Q1774 PolarHBondContact O-N 3.19Å; Q1774-V1776 VanDerWaalsContact C-N 3.31Å; Q1774-V1776 PolarHBondContact O-N 3.45Å; Q1774-K1777 PolarHBondContact O-N 3.12Å; Q1774-Y1778 WeakPolarHBondContact O-CD2 3.36Å; Q1774-Y1778 PolarHBondContact O-N 3.5Å; Q1774-Y1778 VanDerWaalsContact O-N 3.15Å; Q1774-Y1778 VanDerWaalsContact OE1-CE2 3.3Å |
| 1775 | M | 88.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.1 | -42.8 | 173 | -70.6 | 174.7 | 76.4 | 0 | 0 | 111.7 | F1711 M1718 I1722 L1728 F1731 L1771 L1772 T1779 F1790 | F1711-M1775 HydrophobicContact CE2-CG 4.34Å; F1711-M1775 HydrophobicContact CZ-CG 4.16Å; M1718-M1775 HydrophobicContact CE-CE 4.19Å; M1718-M1775 HydrophobicContact CE-CG 3.83Å; M1718-M1775 HydrophobicContact CE-SD 4.39Å; M1718-M1775 HydrophobicContact SD-CE 4.06Å; M1718-M1775 HydrophobicContact SD-CG 3.88Å; M1718-M1775 HydrophobicContact SD-SD 3.86Å; I1722-M1775 HydrophobicContact CD1-CE 4.04Å; L1728-M1775 HydrophobicContact CD1-CE 4.02Å; F1731-M1775 HydrophobicContact CD1-CE 4.29Å; F1731-M1775 HydrophobicContact CE1-CE 4Å; F1731-M1775 HydrophobicContact CE1-SD 4.06Å; L1771-M1775 HydrophobicContact CG-CG 4.44Å; L1771-M1775 HydrophobicContact CG-SD 4.03Å; L1771-M1775 WeakPolarHBondContact O-CB 3.5Å; L1771-M1775 WeakPolarHBondContact O-CG 3.14Å; L1771-M1775 PolarHBondContact O-N 3.28Å; L1772-M1775 PolarHBondContact O-N 3.4Å; M1775-T1779 PolarHBondContact O-N 3.34Å; M1775-T1779 VanDerWaalsContact O-N 3.09Å; M1775-T1779 PolarHBondContact O-OG1 3.45Å; M1775-F1790 HydrophobicContact CB-CE1 3.86Å; M1775-F1790 HydrophobicContact CB-CZ 4.34Å; M1775-F1790 HydrophobicContact CE-CZ 4.06Å |
| 1776 | V | 88.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.5 | -41.5 | 176.2 | 174.2 | 0 | 0 | 0 | 0 | 111.7 | L1772 I1773 Q1774 Y1778 T1779 K1787 F1790 L1791 I1794 L1829 L1836 | L1772-V1776 VanDerWaalsContact O-CG2 3.31Å; L1772-V1776 WeakPolarHBondContact O-CG2 3.39Å; L1772-V1776 PolarHBondContact O-N 3.02Å; I1773-V1776 PolarHBondContact O-N 2.78Å; Q1774-V1776 VanDerWaalsContact C-N 3.31Å; Q1774-V1776 PolarHBondContact O-N 3.45Å; V1776-Y1778 VanDerWaalsContact C-N 3.34Å; V1776-Y1778 PolarHBondContact O-N 3.07Å; V1776-T1779 WeakPolarHBondContact CA-OG1 3.33Å; V1776-T1779 PolarHBondContact O-OG1 2.72Å; V1776-K1787 HydrophobicContact CG1-CB 4.19Å; V1776-K1787 WeakPolarHBondContact O-CG 3.38Å; V1776-F1790 HydrophobicContact CG2-CD1 4.03Å; V1776-F1790 HydrophobicContact CG2-CE1 4.45Å; V1776-L1791 HydrophobicContact CG2-CB 4.4Å; V1776-L1791 HydrophobicContact CG2-CD1 4.35Å; V1776-I1794 HydrophobicContact CG2-CD1 3.53Å; V1776-L1829 HydrophobicContact CB-CD2 4.47Å; V1776-L1829 HydrophobicContact CG1-CD2 4.17Å; V1776-L1836 HydrophobicContact CG1-CD2 4.16Å |
| 1777 | K | 87.3 | Confident | 81.9 | Confident | 23 Ų | 23 | 37 Ų | 37 | 10% | 0.1 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.9 | -43 | 179.2 | -73.4 | -178.7 | -168.9 | -177.1 | 0 | 112.4 | I1773 Q1774 K1787 D1833 L1836 | I1773-K1777 WeakPolarHBondContact O-CG 3.48Å; I1773-K1777 PolarHBondContact O-N 2.75Å; Q1774-K1777 PolarHBondContact O-N 3.12Å; K1777-K1787 VanDerWaalsContact O-CE 3.23Å; K1777-K1787 WeakPolarHBondContact O-CE 3.46Å; K1777-K1787 PolarHBondContact O-NZ 3.12Å; K1777-K1787 VanDerWaalsContact O-NZ 3.13Å; K1777-D1833 WeakPolarHBondContact CE-OD2 3.39Å; K1777-D1833 IonicContact NZ-OD2 3.51Å; K1777-D1833 PolarHBondContact NZ-OD2 3.4Å; K1777-L1836 HydrophobicContact CG-CD1 4.03Å; K1777-L1836 HydrophobicContact CG-CD2 3.99Å; K1777-L1836 HydrophobicContact CG-CG 3.97Å |
| 1778 | Y | 84.4 | Confident | 81.8 | Confident | 18 Ų | 18 | 37.6 Ų | 37.6 | 7% | 0.071 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -101.9 | 3.2 | -171.4 | -68.6 | -77.1 | 0 | 0 | 0 | 115.3 | D1708 F1711 L1712 Q1774 V1776 S1780 K1781 M1835 | D1708-Y1778 WeakPolarHBondContact CB-OH 3.48Å; D1708-Y1778 WeakPolarHBondContact OD1-CE2 3.31Å; D1708-Y1778 PolarHBondContact OD1-OH 3.11Å; F1711-Y1778 AromaticContact CD1-CD2 3.49Å; F1711-Y1778 HydrophobicContact CD1-CD2 3.49Å; F1711-Y1778 VanDerWaalsContact CD1-CD2 3.49Å; F1711-Y1778 AromaticContact CD1-CE2 3.96Å; F1711-Y1778 HydrophobicContact CD1-CE2 3.96Å; F1711-Y1778 HydrophobicContact CD1-CG 4.25Å; F1711-Y1778 AromaticContact CE1-CD2 3.55Å; F1711-Y1778 HydrophobicContact CE1-CD2 3.55Å; F1711-Y1778 HydrophobicContact CE1-CE2 4.46Å; F1711-Y1778 HydrophobicContact CE1-CG 4.04Å; L1712-Y1778 HydrophobicContact CD1-CE1 4.17Å; L1712-Y1778 HydrophobicContact CD2-CD1 3.78Å; L1712-Y1778 HydrophobicContact CD2-CE1 3.9Å; L1712-Y1778 HydrophobicContact CD2-CG 4.23Å; L1712-Y1778 HydrophobicContact CG-CE1 4.2Å; Q1774-Y1778 WeakPolarHBondContact O-CD2 3.36Å; Q1774-Y1778 PolarHBondContact O-N 3.5Å; Q1774-Y1778 VanDerWaalsContact O-N 3.15Å; Q1774-Y1778 VanDerWaalsContact OE1-CE2 3.3Å; V1776-Y1778 VanDerWaalsContact C-N 3.34Å; V1776-Y1778 PolarHBondContact O-N 3.07Å; Y1778-S1780 VanDerWaalsContact C-N 3.3Å; Y1778-S1780 PolarHBondContact O-N 3.47Å; Y1778-K1781 PolarHBondContact O-N 3.17Å; Y1778-M1835 HydrophobicContact CD1-CE 4.21Å; Y1778-M1835 HydrophobicContact CE1-CE 3.85Å; Y1778-M1835 HydrophobicContact CE1-SD 4.1Å |
| 1779 | T | 77.5 | Confident | 81.3 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -57 | -41.6 | -178 | -38.2 | 0 | 0 | 0 | 0 | 113.3 | M1775 V1776 K1781 Q1782 M1783 T1785 F1790 | M1775-T1779 PolarHBondContact O-N 3.34Å; M1775-T1779 VanDerWaalsContact O-N 3.09Å; M1775-T1779 PolarHBondContact O-OG1 3.45Å; V1776-T1779 WeakPolarHBondContact CA-OG1 3.33Å; V1776-T1779 PolarHBondContact O-OG1 2.72Å; T1779-K1781 PolarHBondContact O-N 3.2Å; T1779-Q1782 PolarHBondContact O-N 3.39Å; T1779-M1783 HydrophobicContact CG2-CB 4.05Å; T1779-M1783 PolarHBondContact O-N 2.87Å; T1779-M1783 VanDerWaalsContact O-N 3.1Å; T1779-T1785 VanDerWaalsContact CG2-OG1 3.28Å; T1779-T1785 WeakPolarHBondContact CG2-OG1 3.47Å; T1779-F1790 HydrophobicContact CG2-CB 3.79Å; T1779-F1790 HydrophobicContact CG2-CD1 3.97Å; T1779-F1790 HydrophobicContact CG2-CD2 3.41Å; T1779-F1790 VanDerWaalsContact CG2-CD2 3.41Å; T1779-F1790 HydrophobicContact CG2-CE1 4.37Å; T1779-F1790 HydrophobicContact CG2-CE2 3.85Å; T1779-F1790 HydrophobicContact CG2-CG 3.45Å; T1779-F1790 VanDerWaalsContact CG2-CG 3.45Å; T1779-F1790 HydrophobicContact CG2-CZ 4.31Å; T1779-F1790 WeakPolarHBondContact OG1-CD1 3.35Å; T1779-F1790 WeakPolarHBondContact OG1-CG 3.4Å |
| 1780 | S | 63.4 | Low | 81.1 | Confident | 61 Ų | 61 | 39.2 Ų | 39.2 | 43% | 0.427 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -57.6 | -25.9 | -173 | 60.1 | 0 | 0 | 0 | 0 | 114.2 | Y1778 | Y1778-S1780 VanDerWaalsContact C-N 3.3Å; Y1778-S1780 PolarHBondContact O-N 3.47Å |
| 1781 | K | 63.5 | Low | 81.2 | Confident | 155 Ų | 155 | 38.7 Ų | 38.7 | 67% | 0.674 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -83.1 | -19.5 | 178.8 | -70.7 | -175.9 | 177.9 | 178.2 | 0 | 113.7 | Y1778 T1779 | Y1778-K1781 PolarHBondContact O-N 3.17Å; T1779-K1781 PolarHBondContact O-N 3.2Å |
| 1782 | Q | 63.2 | Low | 81.1 | Confident | 109 Ų | 109 | 41.5 Ų | 41.5 | 51% | 0.509 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -41.8 | -166.4 | -65.7 | -70.4 | -9 | 0 | 0 | 113.7 | W1719 T1779 | W1719-Q1782 HydrophobicContact CD2-CB 4.37Å; W1719-Q1782 HydrophobicContact CG-CG 4.4Å; T1779-Q1782 PolarHBondContact O-N 3.39Å |
| 1783 | M | 63.1 | Low | 81 | Confident | 66 Ų | 66 | 45.4 Ų | 45.4 | 33% | 0.325 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -111 | 4.5 | -168 | -70.6 | -69.5 | 165.7 | 0 | 0 | 115.2 | W1719 I1722 T1779 T1785 | W1719-M1783 HydrophobicContact CD2-CE 4.32Å; W1719-M1783 HydrophobicContact CE3-CE 3.28Å; W1719-M1783 HydrophobicContact CE3-CG 4.25Å; W1719-M1783 HydrophobicContact CH2-CG 4.02Å; W1719-M1783 HydrophobicContact CZ3-CE 3.48Å; W1719-M1783 VanDerWaalsContact CZ3-CE 3.48Å; W1719-M1783 HydrophobicContact CZ3-CG 3.65Å; W1719-M1783 HydrophobicContact CZ3-SD 4.33Å; I1722-M1783 HydrophobicContact CG2-CE 4.28Å; T1779-M1783 HydrophobicContact CG2-CB 4.05Å; T1779-M1783 PolarHBondContact O-N 2.87Å; T1779-M1783 VanDerWaalsContact O-N 3.1Å; M1783-T1785 PolarHBondContact O-N 2.69Å |
| 1784 | N | 67.8 | Low | 80.9 | Confident | 162 Ų | 162 | 44.5 Ų | 44.5 | 87% | 0.866 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 52.5 | 24.1 | -174.7 | -70.8 | -20 | 0 | 0 | 0 | 114.7 | ||
| 1785 | T | 74.5 | Confident | 81.1 | Confident | 43 Ų | 43 | 44.5 Ų | 44.5 | 26% | 0.264 | 24% | 0.235 | S | C | . | . | trans | -110.6 | 148.5 | 176 | 54.7 | 0 | 0 | 0 | 0 | 111.1 | T1779 M1783 | T1779-T1785 VanDerWaalsContact CG2-OG1 3.28Å; T1779-T1785 WeakPolarHBondContact CG2-OG1 3.47Å; M1783-T1785 PolarHBondContact O-N 2.69Å | ||
| 1786 | T | 81.6 | Confident | 81.2 | Confident | 70 Ų | 70 | 47.6 Ų | 47.6 | 43% | 0.429 | 25% | 0.25 | S | S | . | . | trans | -66.9 | 151.6 | 171.9 | 66.6 | 0 | 0 | 0 | 0 | 110.5 | T1788 A1789 F1790 | T1786-T1788 PolarHBondContact O-N 3.49Å; T1786-T1788 PolarHBondContact OG1-OG1 3.12Å; T1786-T1788 VanDerWaalsContact OG1-OG1 3.04Å; T1786-A1789 PolarHBondContact O-N 3.03Å; T1786-A1789 VanDerWaalsContact O-N 3.12Å; T1786-A1789 VanDerWaalsContact OG1-CB 3.26Å; T1786-A1789 WeakPolarHBondContact OG1-CB 3.47Å; T1786-A1789 PolarHBondContact OG1-N 2.8Å; T1786-A1789 VanDerWaalsContact OG1-N 3.13Å; T1786-F1790 PolarHBondContact O-N 3.22Å | ||
| 1787 | K | 86.1 | Confident | 81.2 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 10% | 0.1 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.7 | -39.5 | -179.6 | -57 | -173.8 | -174.6 | -174.1 | 0 | 111 | V1776 K1777 F1790 L1791 M1835 L1836 | V1776-K1787 HydrophobicContact CG1-CB 4.19Å; V1776-K1787 WeakPolarHBondContact O-CG 3.38Å; K1777-K1787 VanDerWaalsContact O-CE 3.23Å; K1777-K1787 WeakPolarHBondContact O-CE 3.46Å; K1777-K1787 PolarHBondContact O-NZ 3.12Å; K1777-K1787 VanDerWaalsContact O-NZ 3.13Å; K1787-F1790 PolarHBondContact O-N 3.24Å; K1787-L1791 WeakPolarHBondContact O-CB 3.29Å; K1787-L1791 PolarHBondContact O-N 2.87Å; K1787-M1835 PolarHBondContact NZ-O 3.34Å; K1787-L1836 HydrophobicContact CD-CD2 3.9Å |
| 1788 | T | 86.4 | Confident | 81.3 | Confident | 15 Ų | 15 | 46.8 Ų | 46.8 | 9% | 0.092 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 171.7 | 38.5 | 0 | 0 | 0 | 0 | 114.6 | T1786 F1790 L1791 N1792 E1839 R1842 I1843 | T1786-T1788 PolarHBondContact O-N 3.49Å; T1786-T1788 PolarHBondContact OG1-OG1 3.12Å; T1786-T1788 VanDerWaalsContact OG1-OG1 3.04Å; T1788-F1790 VanDerWaalsContact C-N 3.29Å; T1788-F1790 PolarHBondContact O-N 3.43Å; T1788-L1791 PolarHBondContact O-N 3.45Å; T1788-N1792 PolarHBondContact O-N 3.3Å; T1788-E1839 WeakPolarHBondContact CB-OE2 3.19Å; T1788-E1839 HydrophobicContact CG2-CB 4.24Å; T1788-E1839 WeakPolarHBondContact CG2-OE2 3.33Å; T1788-E1839 PolarHBondContact N-OE2 3.33Å; T1788-E1839 VanDerWaalsContact N-OE2 3.12Å; T1788-E1839 PolarHBondContact OG1-OE2 2.99Å; T1788-R1842 HydrophobicContact CG2-CB 3.41Å; T1788-R1842 VanDerWaalsContact CG2-CB 3.41Å; T1788-I1843 HydrophobicContact CG2-CG1 4.11Å |
| 1789 | A | 84.4 | Confident | 81.5 | Confident | 40 Ų | 40 | 46.1 Ų | 46.1 | 33% | 0.331 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.1 | -37.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T1786 N1792 Q1793 | T1786-A1789 PolarHBondContact O-N 3.03Å; T1786-A1789 VanDerWaalsContact O-N 3.12Å; T1786-A1789 VanDerWaalsContact OG1-CB 3.26Å; T1786-A1789 WeakPolarHBondContact OG1-CB 3.47Å; T1786-A1789 PolarHBondContact OG1-N 2.8Å; T1786-A1789 VanDerWaalsContact OG1-N 3.13Å; A1789-N1792 WeakPolarHBondContact O-CB 3.37Å; A1789-N1792 PolarHBondContact O-N 3.11Å; A1789-Q1793 PolarHBondContact O-N 3.35Å; A1789-Q1793 VanDerWaalsContact O-N 3.1Å |
| 1790 | F | 87.9 | Confident | 82 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68 | -44.6 | 176.7 | -170.4 | -104.5 | 0 | 0 | 0 | 112.6 | W1719 L1728 M1775 V1776 T1779 T1786 K1787 T1788 N1792 Q1793 I1794 | W1719-F1790 HydrophobicContact CH2-CE2 4.1Å; W1719-F1790 AromaticContact CH2-CZ 3.85Å; W1719-F1790 HydrophobicContact CH2-CZ 3.85Å; L1728-F1790 HydrophobicContact CD1-CE2 3.91Å; L1728-F1790 HydrophobicContact CD1-CZ 3.91Å; L1728-F1790 HydrophobicContact CD2-CD2 4.03Å; L1728-F1790 HydrophobicContact CD2-CE2 3.39Å; L1728-F1790 HydrophobicContact CD2-CZ 4.17Å; L1728-F1790 HydrophobicContact CG-CE2 4.29Å; M1775-F1790 HydrophobicContact CB-CE1 3.86Å; M1775-F1790 HydrophobicContact CB-CZ 4.34Å; M1775-F1790 HydrophobicContact CE-CZ 4.06Å; V1776-F1790 HydrophobicContact CG2-CD1 4.03Å; V1776-F1790 HydrophobicContact CG2-CE1 4.45Å; T1779-F1790 HydrophobicContact CG2-CB 3.79Å; T1779-F1790 HydrophobicContact CG2-CD1 3.97Å; T1779-F1790 HydrophobicContact CG2-CD2 3.41Å; T1779-F1790 VanDerWaalsContact CG2-CD2 3.41Å; T1779-F1790 HydrophobicContact CG2-CE1 4.37Å; T1779-F1790 HydrophobicContact CG2-CE2 3.85Å; T1779-F1790 HydrophobicContact CG2-CG 3.45Å; T1779-F1790 VanDerWaalsContact CG2-CG 3.45Å; T1779-F1790 HydrophobicContact CG2-CZ 4.31Å; T1779-F1790 WeakPolarHBondContact OG1-CD1 3.35Å; T1779-F1790 WeakPolarHBondContact OG1-CG 3.4Å; T1786-F1790 PolarHBondContact O-N 3.22Å; K1787-F1790 PolarHBondContact O-N 3.24Å; T1788-F1790 VanDerWaalsContact C-N 3.29Å; T1788-F1790 PolarHBondContact O-N 3.43Å; F1790-N1792 PolarHBondContact O-N 3.42Å; F1790-Q1793 WeakPolarHBondContact O-CB 3.28Å; F1790-Q1793 PolarHBondContact O-N 3.47Å; F1790-I1794 HydrophobicContact CD1-CD1 3.75Å; F1790-I1794 HydrophobicContact CD1-CG1 4.38Å; F1790-I1794 HydrophobicContact CE1-CD1 3.6Å; F1790-I1794 HydrophobicContact CE1-CG1 4.22Å; F1790-I1794 PolarHBondContact O-N 3.08Å |
| 1791 | L | 91.7 | Very high | 83.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.7 | -39.9 | 172.1 | 177.3 | 62.1 | 0 | 0 | 0 | 111.5 | V1776 K1787 T1788 Q1793 I1794 M1795 L1829 I1843 T1846 | V1776-L1791 HydrophobicContact CG2-CB 4.4Å; V1776-L1791 HydrophobicContact CG2-CD1 4.35Å; K1787-L1791 WeakPolarHBondContact O-CB 3.29Å; K1787-L1791 PolarHBondContact O-N 2.87Å; T1788-L1791 PolarHBondContact O-N 3.45Å; L1791-Q1793 VanDerWaalsContact C-N 3.31Å; L1791-Q1793 PolarHBondContact O-N 3.19Å; L1791-I1794 WeakPolarHBondContact O-CB 3.42Å; L1791-I1794 PolarHBondContact O-N 3.02Å; L1791-M1795 HydrophobicContact CD1-CG 4.27Å; L1791-M1795 HydrophobicContact CG-CG 4.44Å; L1791-M1795 WeakPolarHBondContact O-CG 3.43Å; L1791-M1795 PolarHBondContact O-N 3.46Å; L1791-L1829 HydrophobicContact CD1-CD1 3.74Å; L1791-L1829 HydrophobicContact CD2-CD1 3.9Å; L1791-I1843 HydrophobicContact CD2-CB 4.35Å; L1791-I1843 HydrophobicContact CD2-CG2 3.77Å; L1791-T1846 HydrophobicContact CB-CG2 4.26Å; L1791-T1846 HydrophobicContact CD2-CG2 4.16Å; L1791-T1846 HydrophobicContact CG-CG2 4.02Å |
| 1792 | N | 90.3 | Very high | 84.2 | Confident | 60 Ų | 60 | 38.8 Ų | 38.8 | 32% | 0.321 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62 | -40 | 175.9 | -169.2 | 53.8 | 0 | 0 | 0 | 111.8 | T1788 A1789 F1790 M1795 I1796 T1846 | T1788-N1792 PolarHBondContact O-N 3.3Å; A1789-N1792 WeakPolarHBondContact O-CB 3.37Å; A1789-N1792 PolarHBondContact O-N 3.11Å; F1790-N1792 PolarHBondContact O-N 3.42Å; N1792-M1795 PolarHBondContact O-N 2.99Å; N1792-I1796 WeakPolarHBondContact O-CD1 3.44Å; N1792-I1796 VanDerWaalsContact O-CG1 3.23Å; N1792-I1796 WeakPolarHBondContact O-CG1 3.46Å; N1792-I1796 PolarHBondContact O-N 3.15Å; N1792-T1846 HydrophobicContact CB-CG2 3.63Å |
| 1793 | Q | 88.9 | Confident | 85.2 | Confident | 84 Ų | 84 | 34.7 Ų | 34.7 | 39% | 0.393 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.4 | -45.2 | 173.5 | -69.9 | 177.7 | -1.1 | 0 | 0 | 111.4 | A1789 F1790 L1791 M1795 I1796 S1797 | A1789-Q1793 PolarHBondContact O-N 3.35Å; A1789-Q1793 VanDerWaalsContact O-N 3.1Å; F1790-Q1793 WeakPolarHBondContact O-CB 3.28Å; F1790-Q1793 PolarHBondContact O-N 3.47Å; L1791-Q1793 VanDerWaalsContact C-N 3.31Å; L1791-Q1793 PolarHBondContact O-N 3.19Å; Q1793-M1795 PolarHBondContact O-N 2.86Å; Q1793-I1796 PolarHBondContact O-N 3.26Å; Q1793-S1797 PolarHBondContact O-N 2.91Å; Q1793-S1797 PolarHBondContact O-OG 3.12Å; Q1793-S1797 VanDerWaalsContact O-OG 3.14Å |
| 1794 | I | 90.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.6 | -48.8 | 174.9 | -66 | 168.4 | 0 | 0 | 0 | 111 | I1732 L1772 V1776 F1790 L1791 I1796 S1797 I1798 | I1732-I1794 HydrophobicContact CD1-CB 4.42Å; I1732-I1794 HydrophobicContact CD1-CG1 3.76Å; L1772-I1794 HydrophobicContact CD1-CG2 4.26Å; L1772-I1794 HydrophobicContact CD2-CD1 4.4Å; L1772-I1794 HydrophobicContact CD2-CG2 4.11Å; V1776-I1794 HydrophobicContact CG2-CD1 3.53Å; F1790-I1794 HydrophobicContact CD1-CD1 3.75Å; F1790-I1794 HydrophobicContact CD1-CG1 4.38Å; F1790-I1794 HydrophobicContact CE1-CD1 3.6Å; F1790-I1794 HydrophobicContact CE1-CG1 4.22Å; F1790-I1794 PolarHBondContact O-N 3.08Å; L1791-I1794 WeakPolarHBondContact O-CB 3.42Å; L1791-I1794 PolarHBondContact O-N 3.02Å; I1794-I1796 VanDerWaalsContact C-N 3.31Å; I1794-I1796 PolarHBondContact O-N 3.27Å; I1794-S1797 PolarHBondContact O-N 2.84Å; I1794-I1798 HydrophobicContact CG2-CD1 3.62Å; I1794-I1798 HydrophobicContact CG2-CG1 4.26Å; I1794-I1798 WeakPolarHBondContact O-CB 3.36Å; I1794-I1798 WeakPolarHBondContact O-CG1 3.32Å; I1794-I1798 PolarHBondContact O-N 2.91Å |
| 1795 | M | 92.9 | Very high | 86.7 | Confident | 5 Ų | 5 | 26.8 Ų | 26.8 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.8 | -35.3 | -179.9 | -68 | -57 | -69.5 | 0 | 0 | 112.4 | L1791 N1792 Q1793 G1799 L1822 L1825 Y1847 | L1791-M1795 HydrophobicContact CD1-CG 4.27Å; L1791-M1795 HydrophobicContact CG-CG 4.44Å; L1791-M1795 WeakPolarHBondContact O-CG 3.43Å; L1791-M1795 PolarHBondContact O-N 3.46Å; N1792-M1795 PolarHBondContact O-N 2.99Å; Q1793-M1795 PolarHBondContact O-N 2.86Å; M1795-G1799 PolarHBondContact O-N 3.1Å; M1795-L1822 HydrophobicContact CE-CD2 4.11Å; M1795-L1825 HydrophobicContact SD-CD2 4Å; M1795-Y1847 HydrophobicContact CE-CD2 4.02Å; M1795-Y1847 HydrophobicContact CE-CE2 4.14Å; M1795-Y1847 HydrophobicContact SD-CD2 4.17Å |
| 1796 | I | 90.3 | Very high | 86.9 | Confident | 64 Ų | 64 | 26.9 Ų | 26.9 | 33% | 0.328 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -67.4 | -45.9 | 174.3 | -69.7 | 163.8 | 0 | 0 | 0 | 110.6 | N1792 Q1793 I1794 G1799 N1800 L1853 | N1792-I1796 WeakPolarHBondContact O-CD1 3.44Å; N1792-I1796 VanDerWaalsContact O-CG1 3.23Å; N1792-I1796 WeakPolarHBondContact O-CG1 3.46Å; N1792-I1796 PolarHBondContact O-N 3.15Å; Q1793-I1796 PolarHBondContact O-N 3.26Å; I1794-I1796 VanDerWaalsContact C-N 3.31Å; I1794-I1796 PolarHBondContact O-N 3.27Å; I1796-G1799 PolarHBondContact O-N 3.47Å; I1796-N1800 WeakPolarHBondContact O-CB 3.5Å; I1796-N1800 VanDerWaalsContact O-CG 3.24Å; I1796-N1800 PolarHBondContact O-N 3.29Å; I1796-N1800 PolarHBondContact O-ND2 2.99Å; I1796-L1853 HydrophobicContact CG1-CD1 3.59Å |
| 1797 | S | 89.2 | Confident | 86.7 | Confident | 5 Ų | 5 | 31 Ų | 31 | 4% | 0.035 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.2 | -50.3 | 177.5 | -64 | 0 | 0 | 0 | 0 | 111.7 | D1729 Q1793 I1794 G1799 N1800 E1801 | D1729-S1797 WeakPolarHBondContact OD1-CA 3.27Å; D1729-S1797 WeakPolarHBondContact OD1-CB 3.45Å; D1729-S1797 PolarHBondContact OD1-OG 3.17Å; Q1793-S1797 PolarHBondContact O-N 2.91Å; Q1793-S1797 PolarHBondContact O-OG 3.12Å; Q1793-S1797 VanDerWaalsContact O-OG 3.14Å; I1794-S1797 PolarHBondContact O-N 2.84Å; S1797-G1799 VanDerWaalsContact C-N 3.35Å; S1797-G1799 PolarHBondContact O-N 3.11Å; S1797-N1800 PolarHBondContact O-N 3.42Å; S1797-E1801 PolarHBondContact O-N 2.98Å |
| 1798 | I | 90.2 | Very high | 86.1 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.2 | -45.5 | 176.1 | -69.9 | 174.9 | 0 | 0 | 0 | 110.4 | I1732 L1772 I1794 N1800 E1801 I1802 M1821 L1822 | I1732-I1798 HydrophobicContact CG2-CG1 4.11Å; L1772-I1798 HydrophobicContact CD1-CD1 3.99Å; I1794-I1798 HydrophobicContact CG2-CD1 3.62Å; I1794-I1798 HydrophobicContact CG2-CG1 4.26Å; I1794-I1798 WeakPolarHBondContact O-CB 3.36Å; I1794-I1798 WeakPolarHBondContact O-CG1 3.32Å; I1794-I1798 PolarHBondContact O-N 2.91Å; I1798-N1800 PolarHBondContact O-N 3.08Å; I1798-E1801 PolarHBondContact O-N 3.37Å; I1798-I1802 HydrophobicContact CG2-CD1 3.6Å; I1798-I1802 HydrophobicContact CG2-CG1 4.27Å; I1798-I1802 VanDerWaalsContact O-CG1 3.28Å; I1798-I1802 WeakPolarHBondContact O-CG1 3.49Å; I1798-I1802 PolarHBondContact O-N 2.7Å; I1798-M1821 HydrophobicContact CG2-CE 3.55Å; I1798-L1822 HydrophobicContact CG2-CD2 4.48Å |
| 1799 | G | 88 | Confident | 85.5 | Confident | 4 Ų | 4 | 38 Ų | 38 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.4 | -37.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | M1795 I1796 S1797 A1803 I1854 | M1795-G1799 PolarHBondContact O-N 3.1Å; I1796-G1799 PolarHBondContact O-N 3.47Å; S1797-G1799 VanDerWaalsContact C-N 3.35Å; S1797-G1799 PolarHBondContact O-N 3.11Å; G1799-A1803 PolarHBondContact O-N 3.16Å; G1799-A1803 VanDerWaalsContact O-N 3.14Å; G1799-I1854 VanDerWaalsContact CA-CG2 3.49Å |
| 1800 | N | 87.1 | Confident | 85.2 | Confident | 50 Ų | 50 | 45.1 Ų | 45.1 | 27% | 0.267 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.6 | -38.6 | 174.1 | -71.7 | -24.3 | 0 | 0 | 0 | 111.6 | I1796 S1797 I1798 A1803 S1804 | I1796-N1800 WeakPolarHBondContact O-CB 3.5Å; I1796-N1800 VanDerWaalsContact O-CG 3.24Å; I1796-N1800 PolarHBondContact O-N 3.29Å; I1796-N1800 PolarHBondContact O-ND2 2.99Å; S1797-N1800 PolarHBondContact O-N 3.42Å; I1798-N1800 PolarHBondContact O-N 3.08Å; N1800-A1803 PolarHBondContact O-N 3.32Å; N1800-S1804 WeakPolarHBondContact O-CB 3.42Å; N1800-S1804 PolarHBondContact O-N 3.27Å |
| 1801 | E | 88.4 | Confident | 84.4 | Confident | 12 Ų | 12 | 52.8 Ų | 52.8 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.7 | -44.7 | 176.5 | -171.4 | 53.6 | -142 | 0 | 0 | 111.6 | R1733 T1736 S1797 I1798 A1803 S1804 Q1805 | R1733-E1801 HydrophobicContact CG-CB 4.38Å; T1736-E1801 HydrophobicContact CG2-CG 4.19Å; S1797-E1801 PolarHBondContact O-N 2.98Å; I1798-E1801 PolarHBondContact O-N 3.37Å; E1801-A1803 VanDerWaalsContact C-N 3.28Å; E1801-A1803 PolarHBondContact O-N 3.5Å; E1801-S1804 CarbonylContact O-C 3.49Å; E1801-S1804 WeakPolarHBondContact O-CB 3.32Å; E1801-S1804 PolarHBondContact O-N 3.37Å; E1801-S1804 VanDerWaalsContact O-N 3.1Å; E1801-Q1805 HydrophobicContact CG-CG 4.42Å; E1801-Q1805 WeakPolarHBondContact O-CG 3.44Å; E1801-Q1805 PolarHBondContact O-N 2.97Å; E1801-Q1805 PolarHBondContact OE1-NE2 2.69Å |
| 1802 | I | 86.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.6 | -42.8 | 175 | -69.1 | 166.2 | 0 | 0 | 0 | 110.9 | I1798 Q1805 Q1806 M1813 I1818 M1821 I1854 V1859 | I1798-I1802 HydrophobicContact CG2-CD1 3.6Å; I1798-I1802 HydrophobicContact CG2-CG1 4.27Å; I1798-I1802 VanDerWaalsContact O-CG1 3.28Å; I1798-I1802 WeakPolarHBondContact O-CG1 3.49Å; I1798-I1802 PolarHBondContact O-N 2.7Å; I1802-Q1805 PolarHBondContact O-N 2.63Å; I1802-Q1806 PolarHBondContact O-N 3.46Å; I1802-M1813 HydrophobicContact CG2-CE 3.91Å; I1802-I1818 HydrophobicContact CD1-CG2 3.52Å; I1802-I1818 HydrophobicContact CG1-CD1 4.25Å; I1802-I1818 HydrophobicContact CG1-CG2 4.05Å; I1802-I1818 HydrophobicContact CG2-CD1 4.36Å; I1802-M1821 HydrophobicContact CD1-CE 4.48Å; I1802-I1854 HydrophobicContact CD1-CD1 4.44Å; I1802-I1854 HydrophobicContact CD1-CG2 4.39Å; I1802-V1859 HydrophobicContact CG2-CG1 3.9Å; I1802-V1859 HydrophobicContact CG2-CG2 4.32Å |
| 1803 | A | 83.6 | Confident | 82.6 | Confident | 23 Ų | 23 | 57.8 Ų | 57.8 | 19% | 0.19 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | G1799 N1800 E1801 Q1806 E1807 | G1799-A1803 PolarHBondContact O-N 3.16Å; G1799-A1803 VanDerWaalsContact O-N 3.14Å; N1800-A1803 PolarHBondContact O-N 3.32Å; E1801-A1803 VanDerWaalsContact C-N 3.28Å; E1801-A1803 PolarHBondContact O-N 3.5Å; A1803-Q1806 PolarHBondContact O-N 2.93Å; A1803-E1807 PolarHBondContact O-N 3.4Å |
| 1804 | S | 82.9 | Confident | 82 | Confident | 58 Ų | 58 | 58.8 Ų | 58.8 | 41% | 0.406 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 174.4 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | N1800 E1801 Q1806 E1807 L1808 | N1800-S1804 WeakPolarHBondContact O-CB 3.42Å; N1800-S1804 PolarHBondContact O-N 3.27Å; E1801-S1804 CarbonylContact O-C 3.49Å; E1801-S1804 WeakPolarHBondContact O-CB 3.32Å; E1801-S1804 PolarHBondContact O-N 3.37Å; E1801-S1804 VanDerWaalsContact O-N 3.1Å; S1804-Q1806 PolarHBondContact O-N 3.39Å; S1804-E1807 PolarHBondContact O-N 2.82Å; S1804-E1807 VanDerWaalsContact O-N 3.15Å; S1804-L1808 WeakPolarHBondContact O-CB 3.38Å; S1804-L1808 PolarHBondContact O-N 2.8Å |
| 1805 | Q | 78.3 | Confident | 81.8 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.019 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 177.8 | -70.4 | -64.4 | -32.8 | 0 | 0 | 112.4 | E1801 I1802 E1807 L1808 R1809 M1813 | E1801-Q1805 HydrophobicContact CG-CG 4.42Å; E1801-Q1805 WeakPolarHBondContact O-CG 3.44Å; E1801-Q1805 PolarHBondContact O-N 2.97Å; E1801-Q1805 PolarHBondContact OE1-NE2 2.69Å; I1802-Q1805 PolarHBondContact O-N 2.63Å; Q1805-E1807 VanDerWaalsContact C-N 3.29Å; Q1805-E1807 PolarHBondContact O-N 3.24Å; Q1805-L1808 PolarHBondContact O-N 3.45Å; Q1805-R1809 WeakPolarHBondContact O-CB 3.29Å; Q1805-R1809 PolarHBondContact O-N 3.36Å; Q1805-R1809 VanDerWaalsContact OE1-NE 3.07Å; Q1805-M1813 HydrophobicContact CB-CE 4.1Å |
| 1806 | Q | 80 | Confident | 81.4 | Confident | 44 Ų | 44 | 61.3 Ų | 61.3 | 21% | 0.206 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 173.5 | -174.4 | -174.8 | -94 | 0 | 0 | 111.3 | I1802 A1803 S1804 R1810 M1813 V1859 I1861 | I1802-Q1806 PolarHBondContact O-N 3.46Å; A1803-Q1806 PolarHBondContact O-N 2.93Å; S1804-Q1806 PolarHBondContact O-N 3.39Å; Q1806-R1810 WeakPolarHBondContact O-CA 3.39Å; Q1806-R1810 PolarHBondContact O-N 3.26Å; Q1806-M1813 WeakPolarHBondContact CA-SD 3.48Å; Q1806-M1813 HydrophobicContact CB-SD 3.72Å; Q1806-M1813 HydrophobicContact CG-SD 4.28Å; Q1806-V1859 VanDerWaalsContact OE1-C 3.24Å; Q1806-I1861 HydrophobicContact CG-CG2 3.99Å |
| 1807 | E | 76.6 | Confident | 81.1 | Confident | 157 Ų | 157 | 58.3 Ų | 58.3 | 73% | 0.734 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -72.4 | -36.3 | 179.5 | -168 | 159 | -173.6 | 0 | 0 | 112.2 | A1803 S1804 Q1805 | A1803-E1807 PolarHBondContact O-N 3.4Å; S1804-E1807 PolarHBondContact O-N 2.82Å; S1804-E1807 VanDerWaalsContact O-N 3.15Å; Q1805-E1807 VanDerWaalsContact C-N 3.29Å; Q1805-E1807 PolarHBondContact O-N 3.24Å |
| 1808 | L | 74.6 | Confident | 81.1 | Confident | 124 Ų | 124 | 58.1 Ų | 58.1 | 65% | 0.649 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -71.8 | -52.7 | 178.5 | -175.9 | 65.9 | 0 | 0 | 0 | 112.8 | S1804 Q1805 | S1804-L1808 WeakPolarHBondContact O-CB 3.38Å; S1804-L1808 PolarHBondContact O-N 2.8Å; Q1805-L1808 PolarHBondContact O-N 3.45Å |
| 1809 | R | 74.2 | Confident | 81.1 | Confident | 61 Ų | 61 | 58.7 Ų | 58.7 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -91.5 | -18.2 | -173.1 | -64.5 | 177.7 | 177.6 | -101.5 | 4.4 | 113.3 | D1741 Q1805 L1811 E1812 M1813 | D1741-R1809 IonicContact OD1-CZ 2.83Å; D1741-R1809 IonicContact OD1-NH2 3.21Å; D1741-R1809 PolarHBondContact OD1-NH2 3.45Å; Q1805-R1809 WeakPolarHBondContact O-CB 3.29Å; Q1805-R1809 PolarHBondContact O-N 3.36Å; Q1805-R1809 VanDerWaalsContact OE1-NE 3.07Å; R1809-L1811 PolarHBondContact O-N 2.85Å; R1809-E1812 HydrophobicContact CB-CB 4.45Å; R1809-E1812 WeakPolarHBondContact O-CB 3.27Å; R1809-E1812 PolarHBondContact O-N 3.31Å; R1809-M1813 HydrophobicContact CB-CB 4.12Å |
| 1810 | R | 78.1 | Confident | 81.1 | Confident | 189 Ų | 189 | 59.3 Ų | 59.3 | 71% | 0.713 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | 47.3 | -108.9 | -176.7 | -59.9 | -177.9 | 179 | -179.4 | -0.6 | 111.7 | Q1806 I1861 | Q1806-R1810 WeakPolarHBondContact O-CA 3.39Å; Q1806-R1810 PolarHBondContact O-N 3.26Å; R1810-I1861 WeakPolarHBondContact O-CD1 3.44Å |
| 1811 | L | 69.1 | Low | 81.4 | Confident | 163 Ų | 163 | 57 Ų | 57 | 85% | 0.853 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -78.7 | -16.2 | -176.5 | -64.4 | 171.2 | 0 | 0 | 0 | 113.6 | R1809 M1813 | R1809-L1811 PolarHBondContact O-N 2.85Å; L1811-M1813 VanDerWaalsContact C-N 3.29Å |
| 1812 | E | 68.4 | Low | 81.6 | Confident | 153 Ų | 153 | 56.4 Ų | 56.4 | 72% | 0.715 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -85.3 | -2.9 | 179.6 | -60.1 | -177 | 173.4 | 0 | 0 | 113.1 | R1809 R1814 | R1809-E1812 HydrophobicContact CB-CB 4.45Å; R1809-E1812 WeakPolarHBondContact O-CB 3.27Å; R1809-E1812 PolarHBondContact O-N 3.31Å; E1812-R1814 PolarHBondContact O-N 2.71Å |
| 1813 | M | 77 | Confident | 82 | Confident | 12 Ų | 12 | 57.2 Ų | 57.2 | 6% | 0.059 | 27% | 0.273 | C | S | . | . | trans | -66.8 | 117.1 | 178.9 | -172.5 | 178.3 | -176.5 | 0 | 0 | 110.4 | I1802 Q1805 Q1806 R1809 L1811 I1818 I1861 | I1802-M1813 HydrophobicContact CG2-CE 3.91Å; Q1805-M1813 HydrophobicContact CB-CE 4.1Å; Q1806-M1813 WeakPolarHBondContact CA-SD 3.48Å; Q1806-M1813 HydrophobicContact CB-SD 3.72Å; Q1806-M1813 HydrophobicContact CG-SD 4.28Å; R1809-M1813 HydrophobicContact CB-CB 4.12Å; L1811-M1813 VanDerWaalsContact C-N 3.29Å; M1813-I1818 HydrophobicContact CE-CD1 3.21Å; M1813-I1861 HydrophobicContact CB-CD1 4.15Å; M1813-I1861 HydrophobicContact SD-CG2 3.64Å | ||
| 1814 | R | 76.8 | Confident | 82.3 | Confident | 105 Ų | 105 | 58.1 Ų | 58.1 | 40% | 0.396 | 28% | 0.275 | S | S | . | . | trans | -90.8 | 122.7 | 174.8 | -62.7 | -172.7 | -179.3 | -164.5 | 1.3 | 108.7 | H1744 M1747 E1812 P1817 | H1744-R1814 WeakPolarHBondContact CE1-CB 3.49Å; H1744-R1814 VanDerWaalsContact CE1-CG 3.49Å; H1744-R1814 WeakPolarHBondContact CE1-CG 3.42Å; H1744-R1814 PolarHBondContact CE1-N 2.81Å; M1747-R1814 VanDerWaalsContact C-NH1 3.33Å; M1747-R1814 HydrophobicContact CE-CB 4.4Å; M1747-R1814 PolarHBondContact O-NH1 3.36Å; M1747-R1814 HydrophobicContact SD-CB 4.33Å; E1812-R1814 PolarHBondContact O-N 2.71Å; R1814-P1817 WeakPolarHBondContact O-CD 3.4Å | ||
| 1815 | T | 85.9 | Confident | 82.9 | Confident | 33 Ų | 33 | 55.4 Ų | 55.4 | 20% | 0.202 | 26% | 0.256 | C | S | . | . | trans | -86.4 | -20.9 | -171.3 | 53.6 | 0 | 0 | 0 | 0 | 114.2 | I1818 E1819 I1861 F1862 C1865 | T1815-I1818 WeakPolarHBondContact O-CB 3.37Å; T1815-I1818 PolarHBondContact O-N 3.25Å; T1815-I1818 VanDerWaalsContact O-N 3.15Å; T1815-E1819 PolarHBondContact O-N 2.93Å; T1815-I1861 HydrophobicContact CG2-CG1 4.5Å; T1815-I1861 HydrophobicContact CG2-CG2 4.47Å; T1815-I1861 WeakPolarHBondContact CG2-O 3.45Å; T1815-F1862 HydrophobicContact CG2-CD2 4.1Å; T1815-C1865 PolarHBondContact OG1-SG 2.87Å | ||
| 1816 | L | 84.5 | Confident | 83.6 | Confident | 25 Ų | 25 | 55.3 Ų | 55.3 | 13% | 0.131 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.4 | -43.8 | -177 | -179.4 | 68.9 | 0 | 0 | 0 | 113.9 | M1747 T1757 R1758 I1818 E1819 Q1820 | M1747-L1816 HydrophobicContact CE-CB 4.25Å; M1747-L1816 HydrophobicContact CE-CD2 3.97Å; T1757-L1816 HydrophobicContact CG2-CD2 4.08Å; R1758-L1816 HydrophobicContact CB-CD2 4.46Å; R1758-L1816 HydrophobicContact CG-CD1 4.37Å; L1816-I1818 VanDerWaalsContact C-N 3.26Å; L1816-I1818 PolarHBondContact O-N 2.78Å; L1816-E1819 WeakPolarHBondContact O-CB 3.32Å; L1816-E1819 PolarHBondContact O-N 3.37Å; L1816-Q1820 HydrophobicContact CD1-CG 4.38Å; L1816-Q1820 WeakPolarHBondContact O-CG 3.21Å; L1816-Q1820 PolarHBondContact O-N 3.31Å |
| 1817 | P | 84.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 177.4 | -24.9 | 36.8 | 0 | 0 | 0 | 112.6 | C1743 M1747 R1814 Q1820 M1821 | C1743-P1817 HydrophobicContact CB-CB 3.66Å; C1743-P1817 HydrophobicContact CB-CG 3.52Å; M1747-P1817 HydrophobicContact SD-CG 3.8Å; R1814-P1817 WeakPolarHBondContact O-CD 3.4Å; P1817-Q1820 PolarHBondContact O-N 3.45Å; P1817-M1821 WeakPolarHBondContact O-CB 3.3Å; P1817-M1821 PolarHBondContact O-N 2.9Å |
| 1818 | I | 88 | Confident | 84.7 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.5 | -41.8 | 178.7 | -61.2 | 166.7 | 0 | 0 | 0 | 110.3 | I1740 I1802 M1813 T1815 L1816 M1821 L1822 F1862 | I1740-I1818 HydrophobicContact CD1-CD1 4.47Å; I1740-I1818 HydrophobicContact CD1-CG1 3.96Å; I1740-I1818 HydrophobicContact CG1-CG1 4.45Å; I1802-I1818 HydrophobicContact CD1-CG2 3.52Å; I1802-I1818 HydrophobicContact CG1-CD1 4.25Å; I1802-I1818 HydrophobicContact CG1-CG2 4.05Å; I1802-I1818 HydrophobicContact CG2-CD1 4.36Å; M1813-I1818 HydrophobicContact CE-CD1 3.21Å; T1815-I1818 WeakPolarHBondContact O-CB 3.37Å; T1815-I1818 PolarHBondContact O-N 3.25Å; T1815-I1818 VanDerWaalsContact O-N 3.15Å; L1816-I1818 VanDerWaalsContact C-N 3.26Å; L1816-I1818 PolarHBondContact O-N 2.78Å; I1818-M1821 HydrophobicContact CG2-CE 4.46Å; I1818-M1821 PolarHBondContact O-N 3.41Å; I1818-L1822 HydrophobicContact CG2-CD1 4.07Å; I1818-L1822 WeakPolarHBondContact O-CB 3.42Å; I1818-L1822 WeakPolarHBondContact O-CG 3.28Å; I1818-L1822 PolarHBondContact O-N 3.39Å; I1818-L1822 VanDerWaalsContact O-N 3.07Å; I1818-F1862 HydrophobicContact CB-CD2 4.46Å; I1818-F1862 HydrophobicContact CB-CE2 3.98Å; I1818-F1862 HydrophobicContact CG2-CD2 4.15Å; I1818-F1862 HydrophobicContact CG2-CE2 3.62Å; I1818-F1862 HydrophobicContact CG2-CZ 3.88Å |
| 1819 | E | 90.8 | Very high | 85.3 | Confident | 14 Ų | 14 | 42.8 Ų | 42.8 | 7% | 0.065 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.8 | -50.6 | 173.1 | -169.6 | -163.5 | 148.2 | 0 | 0 | 111.2 | R1758 T1815 L1816 M1821 L1822 M1823 F1862 C1865 I1869 | R1758-E1819 IonicContact CZ-OE1 2.96Å; R1758-E1819 IonicContact NH2-OE1 3.92Å; R1758-E1819 PolarHBondContact NH2-OE1 3.44Å; R1758-E1819 IonicContact NH2-OE2 4Å; T1815-E1819 PolarHBondContact O-N 2.93Å; L1816-E1819 WeakPolarHBondContact O-CB 3.32Å; L1816-E1819 PolarHBondContact O-N 3.37Å; E1819-M1821 PolarHBondContact O-N 3.46Å; E1819-L1822 PolarHBondContact O-N 3.17Å; E1819-M1823 WeakPolarHBondContact O-CB 3.39Å; E1819-M1823 WeakPolarHBondContact O-CG 3.15Å; E1819-M1823 PolarHBondContact O-N 3.32Å; E1819-F1862 HydrophobicContact CB-CE2 4.44Å; E1819-C1865 HydrophobicContact CB-CB 3.91Å; E1819-C1865 HydrophobicContact CG-CB 3.96Å; E1819-C1865 PolarHBondContact OE2-SG 2.84Å; E1819-I1869 HydrophobicContact CG-CD1 4.42Å; E1819-I1869 HydrophobicContact CG-CG1 4.31Å |
| 1820 | Q | 88.2 | Confident | 85.9 | Confident | 18 Ų | 18 | 41.6 Ų | 41.6 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62 | -44 | 179.7 | -69 | -49.2 | -54.5 | 0 | 0 | 111.9 | R1758 C1761 S1762 L1816 P1817 L1822 M1823 L1824 | R1758-Q1820 HydrophobicContact CG-CG 4.34Å; C1761-Q1820 HydrophobicContact CB-CG 4.22Å; S1762-Q1820 PolarHBondContact OG-OE1 3.03Å; L1816-Q1820 HydrophobicContact CD1-CG 4.38Å; L1816-Q1820 WeakPolarHBondContact O-CG 3.21Å; L1816-Q1820 PolarHBondContact O-N 3.31Å; P1817-Q1820 PolarHBondContact O-N 3.45Å; Q1820-L1822 PolarHBondContact O-N 3.24Å; Q1820-M1823 PolarHBondContact O-N 2.99Å; Q1820-L1824 VanDerWaalsContact O-CB 3.27Å; Q1820-L1824 WeakPolarHBondContact O-CB 3.16Å; Q1820-L1824 VanDerWaalsContact O-CG 3.22Å; Q1820-L1824 WeakPolarHBondContact O-CG 3.36Å; Q1820-L1824 PolarHBondContact O-N 3.26Å |
| 1821 | M | 92.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.4 | -51.1 | 176.3 | -173.5 | 178 | 59.7 | 0 | 0 | 112.1 | T1736 M1765 Y1768 V1769 I1798 I1802 P1817 I1818 E1819 L1825 | T1736-M1821 HydrophobicContact CG2-CE 4.23Å; T1736-M1821 HydrophobicContact CG2-SD 4.09Å; M1765-M1821 HydrophobicContact CE-CB 3.52Å; M1765-M1821 HydrophobicContact CE-CG 3.78Å; M1765-M1821 HydrophobicContact CE-SD 3.69Å; Y1768-M1821 HydrophobicContact CD1-SD 4.19Å; Y1768-M1821 HydrophobicContact CE1-CG 4.46Å; Y1768-M1821 HydrophobicContact CE1-SD 3.69Å; V1769-M1821 HydrophobicContact CG2-CG 3.98Å; I1798-M1821 HydrophobicContact CG2-CE 3.55Å; I1802-M1821 HydrophobicContact CD1-CE 4.48Å; P1817-M1821 WeakPolarHBondContact O-CB 3.3Å; P1817-M1821 PolarHBondContact O-N 2.9Å; I1818-M1821 HydrophobicContact CG2-CE 4.46Å; I1818-M1821 PolarHBondContact O-N 3.41Å; E1819-M1821 PolarHBondContact O-N 3.46Å; M1821-L1825 WeakPolarHBondContact O-CB 3.44Å; M1821-L1825 PolarHBondContact O-N 2.9Å |
| 1822 | L | 93.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.5 | -41 | -177 | -69 | 176.4 | 0 | 0 | 0 | 111.4 | M1795 I1798 I1818 E1819 Q1820 L1825 F1826 Y1847 L1851 I1854 F1862 I1869 | M1795-L1822 HydrophobicContact CE-CD2 4.11Å; I1798-L1822 HydrophobicContact CG2-CD2 4.48Å; I1818-L1822 HydrophobicContact CG2-CD1 4.07Å; I1818-L1822 WeakPolarHBondContact O-CB 3.42Å; I1818-L1822 WeakPolarHBondContact O-CG 3.28Å; I1818-L1822 PolarHBondContact O-N 3.39Å; I1818-L1822 VanDerWaalsContact O-N 3.07Å; E1819-L1822 PolarHBondContact O-N 3.17Å; Q1820-L1822 PolarHBondContact O-N 3.24Å; L1822-L1825 PolarHBondContact O-N 3.06Å; L1822-F1826 WeakPolarHBondContact O-CB 3.16Å; L1822-F1826 PolarHBondContact O-N 3.4Å; L1822-Y1847 PolarHBondContact O-OH 3.12Å; L1822-L1851 HydrophobicContact CD1-CD2 4.42Å; L1822-I1854 HydrophobicContact CD1-CD1 3.55Å; L1822-F1862 HydrophobicContact CD1-CE1 4.07Å; L1822-F1862 HydrophobicContact CD1-CZ 3.86Å; L1822-I1869 HydrophobicContact CB-CD1 3.93Å; L1822-I1869 HydrophobicContact CD1-CD1 4.03Å |
| 1823 | M | 93.2 | Very high | 86.9 | Confident | 17 Ų | 17 | 23.8 Ų | 23.8 | 8% | 0.084 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.8 | -46.9 | 177.2 | -75.5 | -62.3 | -74.3 | 0 | 0 | 112.9 | E1819 Q1820 L1825 F1826 F1827 I1869 H1872 | E1819-M1823 WeakPolarHBondContact O-CB 3.39Å; E1819-M1823 WeakPolarHBondContact O-CG 3.15Å; E1819-M1823 PolarHBondContact O-N 3.32Å; Q1820-M1823 PolarHBondContact O-N 2.99Å; M1823-L1825 VanDerWaalsContact C-N 3.31Å; M1823-L1825 PolarHBondContact O-N 3.06Å; M1823-F1826 PolarHBondContact O-N 2.95Å; M1823-F1827 HydrophobicContact CB-CE2 4.47Å; M1823-F1827 HydrophobicContact CE-CE1 3.91Å; M1823-F1827 HydrophobicContact CE-CE2 3.99Å; M1823-F1827 HydrophobicContact CE-CZ 3.34Å; M1823-F1827 WeakPolarHBondContact O-CD2 3.49Å; M1823-F1827 VanDerWaalsContact O-CG 3.26Å; M1823-F1827 WeakPolarHBondContact O-CG 3.33Å; M1823-F1827 PolarHBondContact O-N 2.69Å; M1823-I1869 HydrophobicContact CG-CG1 3.86Å; M1823-I1869 HydrophobicContact SD-CB 4.15Å; M1823-I1869 HydrophobicContact SD-CG1 3.77Å; M1823-I1869 HydrophobicContact SD-CG2 3.99Å; M1823-H1872 HydrophobicContact CE-CB 4.02Å; M1823-H1872 VanDerWaalsContact CE-CD2 3.43Å; M1823-H1872 WeakPolarHBondContact CE-CD2 3.35Å; M1823-H1872 VanDerWaalsContact CE-CG 3.47Å |
| 1824 | L | 91.6 | Very high | 86.9 | Confident | 42 Ų | 42 | 27.9 Ų | 27.9 | 22% | 0.22 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.9 | -40 | 175.8 | -70.2 | 172 | 0 | 0 | 0 | 111 | M1765 V1769 Q1820 F1827 G1828 | M1765-L1824 HydrophobicContact CB-CD1 4.33Å; V1769-L1824 HydrophobicContact CB-CB 4.31Å; V1769-L1824 HydrophobicContact CG1-CB 3.83Å; V1769-L1824 HydrophobicContact CG2-CB 4.17Å; Q1820-L1824 VanDerWaalsContact O-CB 3.27Å; Q1820-L1824 WeakPolarHBondContact O-CB 3.16Å; Q1820-L1824 VanDerWaalsContact O-CG 3.22Å; Q1820-L1824 WeakPolarHBondContact O-CG 3.36Å; Q1820-L1824 PolarHBondContact O-N 3.26Å; L1824-F1827 PolarHBondContact O-N 3.36Å; L1824-G1828 PolarHBondContact O-N 2.81Å |
| 1825 | L | 94.2 | Very high | 87.1 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 176.1 | 179.1 | 62.6 | 0 | 0 | 0 | 110.4 | V1769 L1772 I1773 M1795 M1821 L1822 M1823 L1829 | V1769-L1825 HydrophobicContact CG1-CB 4.02Å; V1769-L1825 HydrophobicContact CG1-CD1 4.47Å; L1772-L1825 HydrophobicContact CB-CD1 4.23Å; I1773-L1825 HydrophobicContact CG1-CD1 3.98Å; M1795-L1825 HydrophobicContact SD-CD2 4Å; M1821-L1825 WeakPolarHBondContact O-CB 3.44Å; M1821-L1825 PolarHBondContact O-N 2.9Å; L1822-L1825 PolarHBondContact O-N 3.06Å; M1823-L1825 VanDerWaalsContact C-N 3.31Å; M1823-L1825 PolarHBondContact O-N 3.06Å; L1825-L1829 HydrophobicContact CD1-CD1 3.86Å; L1825-L1829 HydrophobicContact CD1-CG 4.1Å; L1825-L1829 HydrophobicContact CG-CD1 3.84Å; L1825-L1829 HydrophobicContact CG-CG 4.45Å; L1825-L1829 VanDerWaalsContact O-CB 3.31Å; L1825-L1829 WeakPolarHBondContact O-CB 3.32Å; L1825-L1829 WeakPolarHBondContact O-CG 3.07Å; L1825-L1829 PolarHBondContact O-N 3.4Å |
| 1826 | F | 94.4 | Very high | 86.9 | Confident | 3 Ų | 3 | 24.6 Ų | 24.6 | 1% | 0.013 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 176.6 | -178.2 | -106.5 | 0 | 0 | 0 | 112.5 | L1822 M1823 L1829 T1830 V1844 Y1847 R1874 L1875 A1878 | L1822-F1826 WeakPolarHBondContact O-CB 3.16Å; L1822-F1826 PolarHBondContact O-N 3.4Å; M1823-F1826 PolarHBondContact O-N 2.95Å; F1826-L1829 PolarHBondContact O-N 3.21Å; F1826-T1830 HydrophobicContact CD2-CG2 4.22Å; F1826-T1830 HydrophobicContact CE1-CG2 4.43Å; F1826-T1830 HydrophobicContact CE2-CG2 3.78Å; F1826-T1830 HydrophobicContact CZ-CG2 3.88Å; F1826-T1830 WeakPolarHBondContact O-CB 3.36Å; F1826-T1830 WeakPolarHBondContact O-CG2 3.49Å; F1826-T1830 PolarHBondContact O-N 2.74Å; F1826-T1830 PolarHBondContact O-OG1 2.95Å; F1826-V1844 HydrophobicContact CE2-CG1 4.46Å; F1826-V1844 HydrophobicContact CE2-CG2 4.44Å; F1826-Y1847 HydrophobicContact CB-CD2 4.49Å; F1826-Y1847 HydrophobicContact CB-CE1 3.96Å; F1826-Y1847 HydrophobicContact CB-CE2 3.93Å; F1826-Y1847 AromaticContact CD2-CD1 3.48Å; F1826-Y1847 HydrophobicContact CD2-CD1 3.48Å; F1826-Y1847 VanDerWaalsContact CD2-CD1 3.48Å; F1826-Y1847 HydrophobicContact CD2-CD2 4.38Å; F1826-Y1847 AromaticContact CD2-CE1 3.59Å; F1826-Y1847 HydrophobicContact CD2-CE1 3.59Å; F1826-Y1847 HydrophobicContact CD2-CE2 4.49Å; F1826-Y1847 AromaticContact CD2-CG 3.91Å; F1826-Y1847 HydrophobicContact CD2-CG 3.91Å; F1826-Y1847 HydrophobicContact CE2-CD1 4.09Å; F1826-Y1847 HydrophobicContact CE2-CE1 4.41Å; F1826-Y1847 HydrophobicContact CG-CD1 4.31Å; F1826-Y1847 AromaticContact CG-CE1 3.96Å; F1826-Y1847 HydrophobicContact CG-CE1 3.96Å; F1826-R1874 HydrophobicContact CE1-CB 4.29Å; F1826-R1874 HydrophobicContact CE1-CG 4.05Å; F1826-L1875 HydrophobicContact CD2-CD1 4Å; F1826-L1875 HydrophobicContact CE1-CB 4.12Å; F1826-L1875 HydrophobicContact CE1-CD1 4.15Å; F1826-L1875 HydrophobicContact CE2-CD1 3.44Å; F1826-L1875 VanDerWaalsContact CE2-CD1 3.44Å; F1826-L1875 HydrophobicContact CZ-CB 4.18Å; F1826-L1875 HydrophobicContact CZ-CD1 3.53Å; F1826-L1875 HydrophobicContact CZ-CG 4.44Å; F1826-A1878 HydrophobicContact CZ-CB 3.8Å |
| 1827 | F | 91.1 | Very high | 86.6 | Confident | 32 Ų | 32 | 26.5 Ų | 26.5 | 14% | 0.14 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -45.8 | 178.9 | -66 | -26.3 | 0 | 0 | 0 | 112.1 | M1823 L1824 L1829 T1830 A1831 H1872 R1874 | M1823-F1827 HydrophobicContact CB-CE2 4.47Å; M1823-F1827 HydrophobicContact CE-CE1 3.91Å; M1823-F1827 HydrophobicContact CE-CE2 3.99Å; M1823-F1827 HydrophobicContact CE-CZ 3.34Å; M1823-F1827 WeakPolarHBondContact O-CD2 3.49Å; M1823-F1827 VanDerWaalsContact O-CG 3.26Å; M1823-F1827 WeakPolarHBondContact O-CG 3.33Å; M1823-F1827 PolarHBondContact O-N 2.69Å; L1824-F1827 PolarHBondContact O-N 3.36Å; F1827-L1829 PolarHBondContact O-N 3.36Å; F1827-T1830 CarbonylContact O-C 2.97Å; F1827-T1830 PolarHBondContact O-N 2.82Å; F1827-T1830 VanDerWaalsContact O-N 3.13Å; F1827-T1830 PolarHBondContact O-OG1 3.25Å; F1827-A1831 PolarHBondContact O-N 3.44Å; F1827-H1872 AromaticContact CE1-CE1 3.69Å; F1827-H1872 AromaticContact CZ-CE1 3.53Å; F1827-H1872 AromaticContact CZ-NE2 3.91Å; F1827-R1874 HydrophobicContact CD1-CG 4.41Å; F1827-R1874 HydrophobicContact CE1-CB 4.04Å; F1827-R1874 HydrophobicContact CE1-CG 4.26Å |
| 1828 | G | 86.8 | Confident | 86.2 | Confident | 21 Ų | 21 | 34 Ų | 34 | 22% | 0.216 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.5 | -34.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1824 T1830 | L1824-G1828 PolarHBondContact O-N 2.81Å; G1828-T1830 VanDerWaalsContact C-N 3.26Å; G1828-T1830 PolarHBondContact O-N 3.46Å |
| 1829 | L | 89.3 | Confident | 85.9 | Confident | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.3 | -20.5 | 172.9 | -70.6 | 173.4 | 0 | 0 | 0 | 113.3 | V1776 L1791 L1825 F1826 F1827 L1836 I1843 | V1776-L1829 HydrophobicContact CB-CD2 4.47Å; V1776-L1829 HydrophobicContact CG1-CD2 4.17Å; L1791-L1829 HydrophobicContact CD1-CD1 3.74Å; L1791-L1829 HydrophobicContact CD2-CD1 3.9Å; L1825-L1829 HydrophobicContact CD1-CD1 3.86Å; L1825-L1829 HydrophobicContact CD1-CG 4.1Å; L1825-L1829 HydrophobicContact CG-CD1 3.84Å; L1825-L1829 HydrophobicContact CG-CG 4.45Å; L1825-L1829 VanDerWaalsContact O-CB 3.31Å; L1825-L1829 WeakPolarHBondContact O-CB 3.32Å; L1825-L1829 WeakPolarHBondContact O-CG 3.07Å; L1825-L1829 PolarHBondContact O-N 3.4Å; F1826-L1829 PolarHBondContact O-N 3.21Å; F1827-L1829 PolarHBondContact O-N 3.36Å; L1829-L1836 HydrophobicContact CD2-CD1 4.19Å; L1829-I1843 HydrophobicContact CB-CG2 3.95Å; L1829-I1843 HydrophobicContact CD1-CG2 4.22Å; L1829-I1843 HydrophobicContact CD2-CG2 4.37Å; L1829-I1843 HydrophobicContact CG-CG2 4.41Å |
| 1830 | T | 86.4 | Confident | 85.5 | Confident | 35 Ų | 35 | 36.5 Ų | 36.5 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 19.3 | -178.3 | 61.4 | 0 | 0 | 0 | 0 | 113.3 | F1826 F1827 G1828 G1832 V1844 R1874 | F1826-T1830 HydrophobicContact CD2-CG2 4.22Å; F1826-T1830 HydrophobicContact CE1-CG2 4.43Å; F1826-T1830 HydrophobicContact CE2-CG2 3.78Å; F1826-T1830 HydrophobicContact CZ-CG2 3.88Å; F1826-T1830 WeakPolarHBondContact O-CB 3.36Å; F1826-T1830 WeakPolarHBondContact O-CG2 3.49Å; F1826-T1830 PolarHBondContact O-N 2.74Å; F1826-T1830 PolarHBondContact O-OG1 2.95Å; F1827-T1830 CarbonylContact O-C 2.97Å; F1827-T1830 PolarHBondContact O-N 2.82Å; F1827-T1830 VanDerWaalsContact O-N 3.13Å; F1827-T1830 PolarHBondContact O-OG1 3.25Å; G1828-T1830 VanDerWaalsContact C-N 3.26Å; G1828-T1830 PolarHBondContact O-N 3.46Å; T1830-G1832 PolarHBondContact O-N 3.11Å; T1830-V1844 HydrophobicContact CG2-CG2 3.93Å; T1830-R1874 PolarHBondContact O-NH2 3.36Å; T1830-R1874 VanDerWaalsContact O-NH2 3.11Å |
| 1831 | A | 82.3 | Confident | 85.4 | Confident | 34 Ų | 34 | 38.5 Ų | 38.5 | 28% | 0.281 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -77.2 | 6.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F1827 | F1827-A1831 PolarHBondContact O-N 3.44Š|
| 1832 | G | 73.8 | Confident | 85.2 | Confident | 68 Ų | 68 | 46.4 Ų | 46.4 | 70% | 0.701 | 28% | 0.283 | S | S | * | . | trans | 80.1 | 20.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1830 | T1830-G1832 PolarHBondContact O-N 3.11Š| ||
| 1833 | D | 80.6 | Confident | 85.1 | Confident | 29 Ų | 29 | 46.5 Ų | 46.5 | 16% | 0.155 | 28% | 0.283 | C | S | . | . | trans | -62.2 | 126.5 | 178.8 | -171.2 | -51 | 0 | 0 | 0 | 112 | K1777 M1835 L1836 A1837 | K1777-D1833 WeakPolarHBondContact CE-OD2 3.39Å; K1777-D1833 IonicContact NZ-OD2 3.51Å; K1777-D1833 PolarHBondContact NZ-OD2 3.4Å; D1833-M1835 PolarHBondContact O-N 3.32Å; D1833-M1835 VanDerWaalsContact OD1-CB 3.32Å; D1833-M1835 WeakPolarHBondContact OD1-CB 3.41Å; D1833-M1835 PolarHBondContact OD1-N 3.07Å; D1833-L1836 HydrophobicContact CB-CB 4.46Å; D1833-L1836 HydrophobicContact CB-CG 4.48Å; D1833-L1836 PolarHBondContact O-N 3Å; D1833-A1837 PolarHBondContact O-N 3.09Å | ||
| 1834 | P | 77.4 | Confident | 85 | Confident | 98 Ų | 98 | 46.1 Ų | 46.1 | 64% | 0.636 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -60.4 | -29.1 | -178.6 | 24.8 | -34.3 | 0 | 0 | 0 | 113.7 | L1836 | P1834-L1836 VanDerWaalsContact C-N 3.28Å; P1834-L1836 PolarHBondContact O-N 2.99Å |
| 1835 | M | 79.3 | Confident | 85.1 | Confident | 64 Ų | 64 | 45.8 Ų | 45.8 | 32% | 0.315 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.7 | -25.2 | 175.5 | -66.1 | -166.6 | 75.8 | 0 | 0 | 112.7 | Y1778 K1787 D1833 | Y1778-M1835 HydrophobicContact CD1-CE 4.21Å; Y1778-M1835 HydrophobicContact CE1-CE 3.85Å; Y1778-M1835 HydrophobicContact CE1-SD 4.1Å; K1787-M1835 PolarHBondContact NZ-O 3.34Å; D1833-M1835 PolarHBondContact O-N 3.32Å; D1833-M1835 VanDerWaalsContact OD1-CB 3.32Å; D1833-M1835 WeakPolarHBondContact OD1-CB 3.41Å; D1833-M1835 PolarHBondContact OD1-N 3.07Å |
| 1836 | L | 82.7 | Confident | 85.1 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -101.1 | -17.8 | 179.2 | -62 | 179.9 | 0 | 0 | 0 | 112.5 | V1776 K1777 K1787 L1829 D1833 P1834 D1838 E1839 G1840 I1843 | V1776-L1836 HydrophobicContact CG1-CD2 4.16Å; K1777-L1836 HydrophobicContact CG-CD1 4.03Å; K1777-L1836 HydrophobicContact CG-CD2 3.99Å; K1777-L1836 HydrophobicContact CG-CG 3.97Å; K1787-L1836 HydrophobicContact CD-CD2 3.9Å; L1829-L1836 HydrophobicContact CD2-CD1 4.19Å; D1833-L1836 HydrophobicContact CB-CB 4.46Å; D1833-L1836 HydrophobicContact CB-CG 4.48Å; D1833-L1836 PolarHBondContact O-N 3Å; P1834-L1836 VanDerWaalsContact C-N 3.28Å; P1834-L1836 PolarHBondContact O-N 2.99Å; L1836-D1838 VanDerWaalsContact C-N 3.31Å; L1836-D1838 PolarHBondContact O-N 3.44Å; L1836-E1839 CarbonylContact O-C 3.45Å; L1836-E1839 PolarHBondContact O-N 3.45Å; L1836-G1840 PolarHBondContact O-N 3.28Å; L1836-I1843 HydrophobicContact CB-CD1 3.9Å; L1836-I1843 HydrophobicContact CD2-CD1 3.97Å; L1836-I1843 HydrophobicContact CG-CD1 4.38Å |
| 1837 | A | 77.5 | Confident | 85.1 | Confident | 64 Ų | 64 | 46.4 Ų | 46.4 | 53% | 0.529 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -53.2 | -43.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1833 E1839 G1840 | D1833-A1837 PolarHBondContact O-N 3.09Å; A1837-E1839 PolarHBondContact O-N 2.96Å; A1837-E1839 VanDerWaalsContact O-N 3.17Å; A1837-G1840 PolarHBondContact O-N 3.28Å; A1837-G1840 VanDerWaalsContact O-N 3.08Å |
| 1838 | D | 76.3 | Confident | 85.4 | Confident | 158 Ų | 158 | 44.9 Ų | 44.9 | 85% | 0.845 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -27.6 | -179.7 | -67.8 | -17.3 | 0 | 0 | 0 | 113.6 | L1836 | L1836-D1838 VanDerWaalsContact C-N 3.31Å; L1836-D1838 PolarHBondContact O-N 3.44Å |
| 1839 | E | 81.3 | Confident | 85.7 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 8.7 | 177.7 | -67.3 | -165.8 | -174.8 | 0 | 0 | 113.1 | T1788 L1836 A1837 S1841 R1842 I1843 | T1788-E1839 WeakPolarHBondContact CB-OE2 3.19Å; T1788-E1839 HydrophobicContact CG2-CB 4.24Å; T1788-E1839 WeakPolarHBondContact CG2-OE2 3.33Å; T1788-E1839 PolarHBondContact N-OE2 3.33Å; T1788-E1839 VanDerWaalsContact N-OE2 3.12Å; T1788-E1839 PolarHBondContact OG1-OE2 2.99Å; L1836-E1839 CarbonylContact O-C 3.45Å; L1836-E1839 PolarHBondContact O-N 3.45Å; A1837-E1839 PolarHBondContact O-N 2.96Å; A1837-E1839 VanDerWaalsContact O-N 3.17Å; E1839-S1841 PolarHBondContact O-N 2.99Å; E1839-R1842 CarbonylContact O-C 3.6Å; E1839-R1842 WeakPolarHBondContact O-CA 3.4Å; E1839-R1842 WeakPolarHBondContact O-CB 3.38Å; E1839-R1842 PolarHBondContact O-N 2.99Å; E1839-I1843 HydrophobicContact CB-CD1 4.18Å; E1839-I1843 HydrophobicContact CB-CG1 4.28Å; E1839-I1843 WeakPolarHBondContact O-CG1 3.41Å; E1839-I1843 PolarHBondContact O-N 3.13Å |
| 1840 | G | 83.4 | Confident | 85.8 | Confident | 25 Ų | 25 | 46.1 Ų | 46.1 | 26% | 0.258 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -51.7 | -49.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1836 A1837 R1842 I1843 V1844 | L1836-G1840 PolarHBondContact O-N 3.28Å; A1837-G1840 PolarHBondContact O-N 3.28Å; A1837-G1840 VanDerWaalsContact O-N 3.08Å; G1840-R1842 VanDerWaalsContact C-N 3.32Å; G1840-R1842 PolarHBondContact O-N 3.44Å; G1840-I1843 WeakPolarHBondContact O-CB 3.22Å; G1840-I1843 PolarHBondContact O-N 3.4Å; G1840-V1844 WeakPolarHBondContact O-CG2 3.49Å; G1840-V1844 PolarHBondContact O-N 3.09Å |
| 1841 | S | 86.2 | Confident | 86.3 | Confident | 60 Ų | 60 | 44.4 Ų | 44.4 | 42% | 0.42 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.8 | -37.7 | 176.8 | -51.8 | 0 | 0 | 0 | 0 | 112.4 | E1839 V1844 V1845 | E1839-S1841 PolarHBondContact O-N 2.99Å; S1841-V1844 PolarHBondContact O-N 3.34Å; S1841-V1845 WeakPolarHBondContact O-CG2 3.39Å; S1841-V1845 PolarHBondContact O-N 2.92Å; S1841-V1845 VanDerWaalsContact O-N 3.09Å |
| 1842 | R | 88.8 | Confident | 86.9 | Confident | 166 Ų | 166 | 44.6 Ų | 44.6 | 63% | 0.626 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -70.8 | -34.2 | 178.5 | -63.3 | -178.2 | -178.8 | -174.6 | 1.4 | 111.6 | T1788 E1839 G1840 V1845 T1846 | T1788-R1842 HydrophobicContact CG2-CB 3.41Å; T1788-R1842 VanDerWaalsContact CG2-CB 3.41Å; E1839-R1842 CarbonylContact O-C 3.6Å; E1839-R1842 WeakPolarHBondContact O-CA 3.4Å; E1839-R1842 WeakPolarHBondContact O-CB 3.38Å; E1839-R1842 PolarHBondContact O-N 2.99Å; G1840-R1842 VanDerWaalsContact C-N 3.32Å; G1840-R1842 PolarHBondContact O-N 3.44Å; R1842-V1845 PolarHBondContact O-N 2.97Å; R1842-T1846 WeakPolarHBondContact O-CB 3.47Å; R1842-T1846 PolarHBondContact O-N 3.46Å; R1842-T1846 PolarHBondContact O-OG1 2.9Å |
| 1843 | I | 90.4 | Very high | 87.8 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -49.6 | 173.8 | -72.4 | 168.9 | 0 | 0 | 0 | 110 | T1788 L1791 L1829 L1836 E1839 G1840 V1845 T1846 Y1847 | T1788-I1843 HydrophobicContact CG2-CG1 4.11Å; L1791-I1843 HydrophobicContact CD2-CB 4.35Å; L1791-I1843 HydrophobicContact CD2-CG2 3.77Å; L1829-I1843 HydrophobicContact CB-CG2 3.95Å; L1829-I1843 HydrophobicContact CD1-CG2 4.22Å; L1829-I1843 HydrophobicContact CD2-CG2 4.37Å; L1829-I1843 HydrophobicContact CG-CG2 4.41Å; L1836-I1843 HydrophobicContact CB-CD1 3.9Å; L1836-I1843 HydrophobicContact CD2-CD1 3.97Å; L1836-I1843 HydrophobicContact CG-CD1 4.38Å; E1839-I1843 HydrophobicContact CB-CD1 4.18Å; E1839-I1843 HydrophobicContact CB-CG1 4.28Å; E1839-I1843 WeakPolarHBondContact O-CG1 3.41Å; E1839-I1843 PolarHBondContact O-N 3.13Å; G1840-I1843 WeakPolarHBondContact O-CB 3.22Å; G1840-I1843 PolarHBondContact O-N 3.4Å; I1843-V1845 PolarHBondContact O-N 3.32Å; I1843-T1846 WeakPolarHBondContact O-CB 3.49Å; I1843-T1846 PolarHBondContact O-N 3.46Å; I1843-T1846 VanDerWaalsContact O-N 3.14Å; I1843-Y1847 PolarHBondContact O-N 3.5Å |
| 1844 | V | 92.3 | Very high | 88.3 | Confident | 10 Ų | 10 | 42.7 Ų | 42.7 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -45.6 | 177.5 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | F1826 T1830 G1840 S1841 T1846 Y1847 C1848 A1878 V1879 I1883 | F1826-V1844 HydrophobicContact CE2-CG1 4.46Å; F1826-V1844 HydrophobicContact CE2-CG2 4.44Å; T1830-V1844 HydrophobicContact CG2-CG2 3.93Å; G1840-V1844 WeakPolarHBondContact O-CG2 3.49Å; G1840-V1844 PolarHBondContact O-N 3.09Å; S1841-V1844 PolarHBondContact O-N 3.34Å; V1844-T1846 VanDerWaalsContact C-N 3.31Å; V1844-T1846 PolarHBondContact O-N 2.91Å; V1844-Y1847 PolarHBondContact O-N 3.17Å; V1844-C1848 PolarHBondContact O-N 3.38Å; V1844-C1848 PolarHBondContact O-SG 3.48Å; V1844-C1848 VanDerWaalsContact O-SG 3.38Å; V1844-A1878 HydrophobicContact CG1-CB 4.4Å; V1844-A1878 HydrophobicContact CG2-CB 4.42Å; V1844-V1879 HydrophobicContact CG1-CB 4.49Å; V1844-V1879 HydrophobicContact CG1-CG2 3.54Å; V1844-I1883 HydrophobicContact CB-CD1 4.14Å; V1844-I1883 HydrophobicContact CG1-CD1 3.83Å |
| 1845 | V | 93.2 | Very high | 89.1 | Confident | 34 Ų | 34 | 41.7 Ų | 41.7 | 21% | 0.206 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.2 | -42.7 | 175.2 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | S1841 R1842 I1843 C1848 N1849 I1883 V1891 | S1841-V1845 WeakPolarHBondContact O-CG2 3.39Å; S1841-V1845 PolarHBondContact O-N 2.92Å; S1841-V1845 VanDerWaalsContact O-N 3.09Å; R1842-V1845 PolarHBondContact O-N 2.97Å; I1843-V1845 PolarHBondContact O-N 3.32Å; V1845-C1848 PolarHBondContact O-N 3.29Å; V1845-N1849 PolarHBondContact O-N 3.02Å; V1845-N1849 PolarHBondContact O-ND2 2.87Å; V1845-I1883 HydrophobicContact CG2-CD1 3.67Å; V1845-V1891 HydrophobicContact CG1-CG2 3.95Å; V1845-V1891 HydrophobicContact CG2-CG2 4.12Å |
| 1846 | T | 93.4 | Very high | 89.8 | Confident | 16 Ų | 16 | 38.7 Ų | 38.7 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.1 | -42.3 | 179.5 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | L1791 N1792 R1842 I1843 V1844 N1849 G1850 | L1791-T1846 HydrophobicContact CB-CG2 4.26Å; L1791-T1846 HydrophobicContact CD2-CG2 4.16Å; L1791-T1846 HydrophobicContact CG-CG2 4.02Å; N1792-T1846 HydrophobicContact CB-CG2 3.63Å; R1842-T1846 WeakPolarHBondContact O-CB 3.47Å; R1842-T1846 PolarHBondContact O-N 3.46Å; R1842-T1846 PolarHBondContact O-OG1 2.9Å; I1843-T1846 WeakPolarHBondContact O-CB 3.49Å; I1843-T1846 PolarHBondContact O-N 3.46Å; I1843-T1846 VanDerWaalsContact O-N 3.14Å; V1844-T1846 VanDerWaalsContact C-N 3.31Å; V1844-T1846 PolarHBondContact O-N 2.91Å; T1846-N1849 WeakPolarHBondContact O-CB 3.49Å; T1846-N1849 PolarHBondContact O-N 3.43Å; T1846-G1850 PolarHBondContact O-N 3.36Å |
| 1847 | Y | 95.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.1 | -46 | 174.6 | 179.9 | -94.6 | 0 | 0 | 0 | 111.7 | M1795 L1822 F1826 I1843 V1844 N1849 G1850 L1851 L1875 | M1795-Y1847 HydrophobicContact CE-CD2 4.02Å; M1795-Y1847 HydrophobicContact CE-CE2 4.14Å; M1795-Y1847 HydrophobicContact SD-CD2 4.17Å; L1822-Y1847 PolarHBondContact O-OH 3.12Å; F1826-Y1847 HydrophobicContact CB-CD2 4.49Å; F1826-Y1847 HydrophobicContact CB-CE1 3.96Å; F1826-Y1847 HydrophobicContact CB-CE2 3.93Å; F1826-Y1847 AromaticContact CD2-CD1 3.48Å; F1826-Y1847 HydrophobicContact CD2-CD1 3.48Å; F1826-Y1847 VanDerWaalsContact CD2-CD1 3.48Å; F1826-Y1847 HydrophobicContact CD2-CD2 4.38Å; F1826-Y1847 AromaticContact CD2-CE1 3.59Å; F1826-Y1847 HydrophobicContact CD2-CE1 3.59Å; F1826-Y1847 HydrophobicContact CD2-CE2 4.49Å; F1826-Y1847 AromaticContact CD2-CG 3.91Å; F1826-Y1847 HydrophobicContact CD2-CG 3.91Å; F1826-Y1847 HydrophobicContact CE2-CD1 4.09Å; F1826-Y1847 HydrophobicContact CE2-CE1 4.41Å; F1826-Y1847 HydrophobicContact CG-CD1 4.31Å; F1826-Y1847 AromaticContact CG-CE1 3.96Å; F1826-Y1847 HydrophobicContact CG-CE1 3.96Å; I1843-Y1847 PolarHBondContact O-N 3.5Å; V1844-Y1847 PolarHBondContact O-N 3.17Å; Y1847-N1849 VanDerWaalsContact C-N 3.34Å; Y1847-N1849 PolarHBondContact O-N 2.86Å; Y1847-G1850 CarbonylContact O-C 3.48Å; Y1847-G1850 VanDerWaalsContact O-CA 3.31Å; Y1847-G1850 WeakPolarHBondContact O-CA 3.47Å; Y1847-G1850 PolarHBondContact O-N 3.46Å; Y1847-L1851 HydrophobicContact CD1-CD1 4.18Å; Y1847-L1851 HydrophobicContact CD1-CG 4.32Å; Y1847-L1851 HydrophobicContact CE1-CD1 3.66Å; Y1847-L1851 HydrophobicContact CE1-CD2 4.26Å; Y1847-L1851 HydrophobicContact CE1-CG 3.9Å; Y1847-L1851 PolarHBondContact O-N 2.84Å; Y1847-L1875 HydrophobicContact CD1-CD1 4.11Å; Y1847-L1875 HydrophobicContact CE1-CD1 4.09Å |
| 1848 | C | 95.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63 | -37.4 | 174.7 | -67.3 | 0 | 0 | 0 | 0 | 112.9 | V1844 V1845 G1850 L1851 H1852 V1879 V1891 L1895 | V1844-C1848 PolarHBondContact O-N 3.38Å; V1844-C1848 PolarHBondContact O-SG 3.48Å; V1844-C1848 VanDerWaalsContact O-SG 3.38Å; V1845-C1848 PolarHBondContact O-N 3.29Å; C1848-G1850 PolarHBondContact O-N 3.49Å; C1848-L1851 WeakPolarHBondContact O-CB 3.39Å; C1848-L1851 PolarHBondContact O-N 3.4Å; C1848-H1852 PolarHBondContact O-N 3.36Å; C1848-V1879 VanDerWaalsContact SG-CG2 3.54Å; C1848-V1891 HydrophobicContact CB-CG1 3.23Å; C1848-L1895 HydrophobicContact CB-CD1 4.14Å |
| 1849 | N | 93.3 | Very high | 91.3 | Very high | 55 Ų | 55 | 37.6 Ų | 37.6 | 29% | 0.294 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.8 | -35 | 171.5 | -73.9 | -32.9 | 0 | 0 | 0 | 111.6 | V1845 T1846 Y1847 H1852 L1853 | V1845-N1849 PolarHBondContact O-N 3.02Å; V1845-N1849 PolarHBondContact O-ND2 2.87Å; T1846-N1849 WeakPolarHBondContact O-CB 3.49Å; T1846-N1849 PolarHBondContact O-N 3.43Å; Y1847-N1849 VanDerWaalsContact C-N 3.34Å; Y1847-N1849 PolarHBondContact O-N 2.86Å; N1849-H1852 WeakPolarHBondContact O-CB 3.42Å; N1849-H1852 PolarHBondContact O-N 3.46Å; N1849-L1853 WeakPolarHBondContact O-CG 3.37Å; N1849-L1853 PolarHBondContact O-N 3.44Å; N1849-L1853 VanDerWaalsContact O-N 3.09Å |
| 1850 | G | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.2 | -46.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113 | T1846 Y1847 C1848 H1852 L1853 I1854 | T1846-G1850 PolarHBondContact O-N 3.36Å; Y1847-G1850 CarbonylContact O-C 3.48Å; Y1847-G1850 VanDerWaalsContact O-CA 3.31Å; Y1847-G1850 WeakPolarHBondContact O-CA 3.47Å; Y1847-G1850 PolarHBondContact O-N 3.46Å; C1848-G1850 PolarHBondContact O-N 3.49Å; G1850-H1852 PolarHBondContact O-N 2.93Å; G1850-L1853 WeakPolarHBondContact O-CB 3.5Å; G1850-L1853 PolarHBondContact O-N 3.39Å; G1850-I1854 PolarHBondContact O-N 2.95Å |
| 1851 | L | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.8 | -35 | 174 | -67.7 | -178.8 | 0 | 0 | 0 | 112.6 | L1822 Y1847 C1848 I1854 R1855 W1866 I1869 V1870 L1875 L1895 | L1822-L1851 HydrophobicContact CD1-CD2 4.42Å; Y1847-L1851 HydrophobicContact CD1-CD1 4.18Å; Y1847-L1851 HydrophobicContact CD1-CG 4.32Å; Y1847-L1851 HydrophobicContact CE1-CD1 3.66Å; Y1847-L1851 HydrophobicContact CE1-CD2 4.26Å; Y1847-L1851 HydrophobicContact CE1-CG 3.9Å; Y1847-L1851 PolarHBondContact O-N 2.84Å; C1848-L1851 WeakPolarHBondContact O-CB 3.39Å; C1848-L1851 PolarHBondContact O-N 3.4Å; L1851-I1854 HydrophobicContact CD2-CD1 4.22Å; L1851-I1854 CarbonylContact O-C 3.59Å; L1851-I1854 WeakPolarHBondContact O-CG1 3.4Å; L1851-I1854 PolarHBondContact O-N 3.24Å; L1851-R1855 PolarHBondContact O-N 2.81Å; L1851-W1866 PolarHBondContact O-NE1 3.18Å; L1851-I1869 HydrophobicContact CD1-CG2 3.86Å; L1851-I1869 HydrophobicContact CD2-CG2 4.13Å; L1851-V1870 HydrophobicContact CD1-CG2 4.3Å; L1851-L1875 HydrophobicContact CD1-CD2 3.99Å; L1851-L1895 HydrophobicContact CB-CD2 4.04Å; L1851-L1895 HydrophobicContact CD1-CD1 4.44Å |
| 1852 | H | 95.6 | Very high | 91.8 | Very high | 37 Ų | 37 | 37.4 Ų | 37.4 | 17% | 0.171 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.1 | -35 | 173.3 | 178.3 | 70.8 | 0 | 0 | 0 | 112.6 | C1848 N1849 G1850 I1854 R1855 K1894 L1895 D1898 | C1848-H1852 PolarHBondContact O-N 3.36Å; N1849-H1852 WeakPolarHBondContact O-CB 3.42Å; N1849-H1852 PolarHBondContact O-N 3.46Å; G1850-H1852 PolarHBondContact O-N 2.93Å; H1852-I1854 PolarHBondContact O-N 3.49Å; H1852-R1855 VanDerWaalsContact O-CB 3.31Å; H1852-R1855 WeakPolarHBondContact O-CB 3.43Å; H1852-R1855 VanDerWaalsContact O-CG 3.31Å; H1852-R1855 WeakPolarHBondContact O-CG 3.33Å; H1852-R1855 PolarHBondContact O-N 3.2Å; H1852-K1894 WeakPolarHBondContact CD2-CE 3.46Å; H1852-K1894 PolarHBondContact CD2-NZ 2.89Å; H1852-K1894 WeakPolarHBondContact CE1-CE 3.35Å; H1852-K1894 WeakPolarHBondContact ND1-CE 3.47Å; H1852-K1894 WeakPolarHBondContact NE2-CE 3.28Å; H1852-L1895 HydrophobicContact CB-CD2 4.18Å; H1852-D1898 IonicContact CE1-OD1 3.52Å; H1852-D1898 PolarHBondContact CE1-OD1 3.03Å; H1852-D1898 IonicContact CE1-OD2 2.7Å; H1852-D1898 IonicContact CG-OD2 3.91Å; H1852-D1898 VanDerWaalsContact ND1-CG 3.32Å; H1852-D1898 IonicContact ND1-OD1 3.85Å; H1852-D1898 PolarHBondContact ND1-OD1 3.21Å; H1852-D1898 IonicContact ND1-OD2 2.91Å; H1852-D1898 PolarHBondContact ND1-OD2 3.09Å |
| 1853 | L | 91.9 | Very high | 92 | Very high | 54 Ų | 54 | 29.7 Ų | 29.7 | 28% | 0.283 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -63.3 | -32.1 | 176 | -71.9 | 168.6 | 0 | 0 | 0 | 112.3 | I1796 N1849 G1850 R1858 | I1796-L1853 HydrophobicContact CG1-CD1 3.59Å; N1849-L1853 WeakPolarHBondContact O-CG 3.37Å; N1849-L1853 PolarHBondContact O-N 3.44Å; N1849-L1853 VanDerWaalsContact O-N 3.09Å; G1850-L1853 WeakPolarHBondContact O-CB 3.5Å; G1850-L1853 PolarHBondContact O-N 3.39Å; L1853-R1858 WeakPolarHBondContact O-CD 3.2Å; L1853-R1858 PolarHBondContact O-NH1 3.42Å |
| 1854 | I | 92.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 26.5 | 177.7 | 61.6 | 170.5 | 0 | 0 | 0 | 113.2 | G1799 I1802 L1822 G1850 L1851 H1852 V1859 F1862 | G1799-I1854 VanDerWaalsContact CA-CG2 3.49Å; I1802-I1854 HydrophobicContact CD1-CD1 4.44Å; I1802-I1854 HydrophobicContact CD1-CG2 4.39Å; L1822-I1854 HydrophobicContact CD1-CD1 3.55Å; G1850-I1854 PolarHBondContact O-N 2.95Å; L1851-I1854 HydrophobicContact CD2-CD1 4.22Å; L1851-I1854 CarbonylContact O-C 3.59Å; L1851-I1854 WeakPolarHBondContact O-CG1 3.4Å; L1851-I1854 PolarHBondContact O-N 3.24Å; H1852-I1854 PolarHBondContact O-N 3.49Å; I1854-V1859 HydrophobicContact CB-CG2 4.43Å; I1854-F1862 HydrophobicContact CD1-CD1 4.29Å; I1854-F1862 HydrophobicContact CD1-CE1 3.86Å |
| 1855 | R | 94.7 | Very high | 91.7 | Very high | 78 Ų | 78 | 32.5 Ų | 32.5 | 29% | 0.294 | 16% | 0.164 | S | C | . | . | trans | -53.7 | 155.8 | 179.8 | 62.7 | -175.9 | -177.2 | -175.5 | -2.6 | 113.5 | L1851 H1852 Q1857 R1858 V1859 D1898 | L1851-R1855 PolarHBondContact O-N 2.81Å; H1852-R1855 VanDerWaalsContact O-CB 3.31Å; H1852-R1855 WeakPolarHBondContact O-CB 3.43Å; H1852-R1855 VanDerWaalsContact O-CG 3.31Å; H1852-R1855 WeakPolarHBondContact O-CG 3.33Å; H1852-R1855 PolarHBondContact O-N 3.2Å; R1855-Q1857 PolarHBondContact O-N 3.43Å; R1855-R1858 HydrophobicContact CG-CB 4.27Å; R1855-R1858 PolarHBondContact O-N 2.84Å; R1855-V1859 PolarHBondContact O-N 3.15Å; R1855-V1859 VanDerWaalsContact O-N 3.09Å; R1855-D1898 HydrophobicContact CB-CB 3.95Å; R1855-D1898 WeakPolarHBondContact CD-OD1 3.27Å; R1855-D1898 IonicContact NH1-OD1 3.36Å | ||
| 1856 | P | 94 | Very high | 91.7 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -33.9 | -178.1 | -32.1 | 37.7 | 0 | 0 | 0 | 115.7 | R1858 V1859 P1860 T1863 W1866 I1899 F1902 | P1856-R1858 VanDerWaalsContact C-N 3.26Å; P1856-R1858 PolarHBondContact O-N 3.44Å; P1856-V1859 CarbonylContact O-C 3.52Å; P1856-P1860 WeakPolarHBondContact O-CA 3.07Å; P1856-P1860 WeakPolarHBondContact O-CG 3.34Å; P1856-T1863 HydrophobicContact CB-CG2 4Å; P1856-T1863 HydrophobicContact CG-CG2 4.12Å; P1856-W1866 HydrophobicContact CG-CD2 4.01Å; P1856-W1866 HydrophobicContact CG-CE3 3.85Å; P1856-W1866 HydrophobicContact CG-CG 4.45Å; P1856-W1866 HydrophobicContact CG-CZ3 4.23Å; P1856-I1899 HydrophobicContact CB-CD1 4.46Å; P1856-I1899 HydrophobicContact CG-CD1 4.01Å; P1856-F1902 HydrophobicContact CB-CB 3.85Å; P1856-F1902 HydrophobicContact CB-CD1 4.05Å; P1856-F1902 HydrophobicContact CB-CD2 3.76Å; P1856-F1902 HydrophobicContact CB-CE2 4.32Å; P1856-F1902 HydrophobicContact CB-CG 3.6Å |
| 1857 | Q | 90 | Very high | 91.7 | Very high | 89 Ų | 89 | 30.8 Ų | 30.8 | 42% | 0.416 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -24.5 | 176.6 | -68.6 | -171.2 | -32.5 | 0 | 0 | 114.1 | R1855 K1901 F1902 | R1855-Q1857 PolarHBondContact O-N 3.43Å; Q1857-K1901 PolarHBondContact NE2-O 3.39Å; Q1857-F1902 HydrophobicContact CG-CB 3.96Å; Q1857-F1902 HydrophobicContact CG-CD2 4.26Å |
| 1858 | R | 88.9 | Confident | 91.4 | Very high | 114 Ų | 114 | 35 Ų | 35 | 43% | 0.43 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -39.6 | 178.9 | -168.3 | -175.8 | -175.5 | 166.1 | -5.6 | 111.5 | L1853 R1855 P1856 | L1853-R1858 WeakPolarHBondContact O-CD 3.2Å; L1853-R1858 PolarHBondContact O-NH1 3.42Å; R1855-R1858 HydrophobicContact CG-CB 4.27Å; R1855-R1858 PolarHBondContact O-N 2.84Å; P1856-R1858 VanDerWaalsContact C-N 3.26Å; P1856-R1858 PolarHBondContact O-N 3.44Å |
| 1859 | V | 88.6 | Confident | 91.2 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | trans | -125.5 | 72.9 | -179.3 | -168.3 | 0 | 0 | 0 | 0 | 110.2 | I1802 Q1806 I1854 R1855 P1856 I1861 F1862 | I1802-V1859 HydrophobicContact CG2-CG1 3.9Å; I1802-V1859 HydrophobicContact CG2-CG2 4.32Å; Q1806-V1859 VanDerWaalsContact OE1-C 3.24Å; I1854-V1859 HydrophobicContact CB-CG2 4.43Å; R1855-V1859 PolarHBondContact O-N 3.15Å; R1855-V1859 VanDerWaalsContact O-N 3.09Å; P1856-V1859 CarbonylContact O-C 3.52Å; V1859-I1861 VanDerWaalsContact C-N 3.28Å; V1859-I1861 HydrophobicContact CG1-CG2 4.31Å; V1859-I1861 PolarHBondContact O-N 3.29Å; V1859-F1862 HydrophobicContact CB-CB 4.33Å; V1859-F1862 HydrophobicContact CG1-CB 3.71Å; V1859-F1862 PolarHBondContact O-N 2.85Å; V1859-F1862 VanDerWaalsContact O-N 3.14Å | ||
| 1860 | P | 87.1 | Confident | 91.2 | Very high | 62 Ų | 62 | 32.4 Ų | 32.4 | 40% | 0.403 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -59.7 | -32.6 | -172.5 | -25.6 | 35 | 0 | 0 | 0 | 114.6 | P1856 F1862 T1863 F1902 | P1856-P1860 WeakPolarHBondContact O-CA 3.07Å; P1856-P1860 WeakPolarHBondContact O-CG 3.34Å; P1860-F1862 PolarHBondContact O-N 3.49Å; P1860-T1863 WeakPolarHBondContact O-CB 3.27Å; P1860-T1863 PolarHBondContact O-N 3.28Å; P1860-T1863 PolarHBondContact O-OG1 3.48Å; P1860-F1902 HydrophobicContact CB-CE2 4.23Å |
| 1861 | I | 85.3 | Confident | 91.1 | Very high | 60 Ų | 60 | 33.8 Ų | 33.8 | 31% | 0.308 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -65.5 | -25.7 | -179.1 | -160.6 | 158.3 | 0 | 0 | 0 | 112.1 | Q1806 R1810 M1813 T1815 V1859 T1863 | Q1806-I1861 HydrophobicContact CG-CG2 3.99Å; R1810-I1861 WeakPolarHBondContact O-CD1 3.44Å; M1813-I1861 HydrophobicContact CB-CD1 4.15Å; M1813-I1861 HydrophobicContact SD-CG2 3.64Å; T1815-I1861 HydrophobicContact CG2-CG1 4.5Å; T1815-I1861 HydrophobicContact CG2-CG2 4.47Å; T1815-I1861 WeakPolarHBondContact CG2-O 3.45Å; V1859-I1861 VanDerWaalsContact C-N 3.28Å; V1859-I1861 HydrophobicContact CG1-CG2 4.31Å; V1859-I1861 PolarHBondContact O-N 3.29Å; I1861-T1863 VanDerWaalsContact C-N 3.34Å; I1861-T1863 PolarHBondContact O-N 3.27Å |
| 1862 | F | 89.4 | Confident | 90.8 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -86.4 | 1 | -179.2 | -171.5 | -116.7 | 0 | 0 | 0 | 113.6 | T1815 I1818 E1819 L1822 I1854 V1859 P1860 C1864 C1865 W1866 I1869 | T1815-F1862 HydrophobicContact CG2-CD2 4.1Å; I1818-F1862 HydrophobicContact CB-CD2 4.46Å; I1818-F1862 HydrophobicContact CB-CE2 3.98Å; I1818-F1862 HydrophobicContact CG2-CD2 4.15Å; I1818-F1862 HydrophobicContact CG2-CE2 3.62Å; I1818-F1862 HydrophobicContact CG2-CZ 3.88Å; E1819-F1862 HydrophobicContact CB-CE2 4.44Å; L1822-F1862 HydrophobicContact CD1-CE1 4.07Å; L1822-F1862 HydrophobicContact CD1-CZ 3.86Å; I1854-F1862 HydrophobicContact CD1-CD1 4.29Å; I1854-F1862 HydrophobicContact CD1-CE1 3.86Å; V1859-F1862 HydrophobicContact CB-CB 4.33Å; V1859-F1862 HydrophobicContact CG1-CB 3.71Å; V1859-F1862 PolarHBondContact O-N 2.85Å; V1859-F1862 VanDerWaalsContact O-N 3.14Å; P1860-F1862 PolarHBondContact O-N 3.49Å; F1862-C1864 PolarHBondContact O-N 2.95Å; F1862-C1865 HydrophobicContact CD2-CB 3.73Å; F1862-C1865 HydrophobicContact CE2-CB 3.33Å; F1862-C1865 HydrophobicContact CZ-CB 3.89Å; F1862-C1865 PolarHBondContact O-N 3.47Å; F1862-W1866 HydrophobicContact CD1-CB 3.67Å; F1862-W1866 HydrophobicContact CD1-CG 4.34Å; F1862-W1866 HydrophobicContact CE1-CB 3.73Å; F1862-W1866 HydrophobicContact CE1-CG 4.32Å; F1862-W1866 VanDerWaalsContact O-CB 3.27Å; F1862-W1866 WeakPolarHBondContact O-CB 3.35Å; F1862-W1866 PolarHBondContact O-N 2.92Å; F1862-I1869 HydrophobicContact CE1-CD1 4.32Å; F1862-I1869 HydrophobicContact CZ-CD1 3.81Å |
| 1863 | T | 92.3 | Very high | 90.3 | Very high | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55 | -44.7 | -169.7 | -59.3 | 0 | 0 | 0 | 0 | 114.2 | P1856 P1860 I1861 W1866 M1867 I1899 F1902 V1919 | P1856-T1863 HydrophobicContact CB-CG2 4Å; P1856-T1863 HydrophobicContact CG-CG2 4.12Å; P1860-T1863 WeakPolarHBondContact O-CB 3.27Å; P1860-T1863 PolarHBondContact O-N 3.28Å; P1860-T1863 PolarHBondContact O-OG1 3.48Å; I1861-T1863 VanDerWaalsContact C-N 3.34Å; I1861-T1863 PolarHBondContact O-N 3.27Å; T1863-W1866 PolarHBondContact O-N 2.94Å; T1863-M1867 WeakPolarHBondContact O-CB 3.37Å; T1863-M1867 WeakPolarHBondContact O-CG 3.4Å; T1863-M1867 PolarHBondContact O-N 2.94Å; T1863-I1899 HydrophobicContact CG2-CD1 3.99Å; T1863-F1902 HydrophobicContact CG2-CD1 4.24Å; T1863-F1902 HydrophobicContact CG2-CE1 3.89Å; T1863-F1902 HydrophobicContact CG2-CZ 4.46Å; T1863-V1919 HydrophobicContact CG2-CG1 4.02Å; T1863-V1919 HydrophobicContact CG2-CG2 4Å |
| 1864 | C | 87.5 | Confident | 89.8 | Confident | 60 Ų | 60 | 38.9 Ų | 38.9 | 41% | 0.405 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66 | -51.6 | -178.3 | -65.4 | 0 | 0 | 0 | 0 | 111.6 | F1862 W1866 M1867 D1868 | F1862-C1864 PolarHBondContact O-N 2.95Å; C1864-W1866 VanDerWaalsContact C-N 3.3Å; C1864-W1866 PolarHBondContact O-N 3.06Å; C1864-M1867 WeakPolarHBondContact O-CA 3.48Å; C1864-M1867 WeakPolarHBondContact O-CB 3.36Å; C1864-M1867 PolarHBondContact O-N 3.05Å; C1864-D1868 PolarHBondContact O-N 3.42Å |
| 1865 | C | 88.7 | Confident | 89.8 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 7% | 0.068 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.4 | -38.7 | 176.3 | -66.2 | 0 | 0 | 0 | 0 | 112 | T1815 E1819 F1862 M1867 D1868 I1869 | T1815-C1865 PolarHBondContact OG1-SG 2.87Å; E1819-C1865 HydrophobicContact CB-CB 3.91Å; E1819-C1865 HydrophobicContact CG-CB 3.96Å; E1819-C1865 PolarHBondContact OE2-SG 2.84Å; F1862-C1865 HydrophobicContact CD2-CB 3.73Å; F1862-C1865 HydrophobicContact CE2-CB 3.33Å; F1862-C1865 HydrophobicContact CZ-CB 3.89Å; F1862-C1865 PolarHBondContact O-N 3.47Å; C1865-M1867 VanDerWaalsContact C-N 3.29Å; C1865-M1867 PolarHBondContact O-N 3.39Å; C1865-D1868 PolarHBondContact O-N 3.32Å; C1865-I1869 VanDerWaalsContact O-CG1 3.32Å; C1865-I1869 WeakPolarHBondContact O-CG1 3.47Å; C1865-I1869 PolarHBondContact O-N 2.91Å |
| 1866 | W | 94.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.2 | -42.8 | 173.8 | -174 | 97.6 | 0 | 0 | 0 | 111.3 | L1851 P1856 F1862 T1863 C1864 I1869 V1870 L1895 D1898 I1899 | L1851-W1866 PolarHBondContact O-NE1 3.18Å; P1856-W1866 HydrophobicContact CG-CD2 4.01Å; P1856-W1866 HydrophobicContact CG-CE3 3.85Å; P1856-W1866 HydrophobicContact CG-CG 4.45Å; P1856-W1866 HydrophobicContact CG-CZ3 4.23Å; F1862-W1866 HydrophobicContact CD1-CB 3.67Å; F1862-W1866 HydrophobicContact CD1-CG 4.34Å; F1862-W1866 HydrophobicContact CE1-CB 3.73Å; F1862-W1866 HydrophobicContact CE1-CG 4.32Å; F1862-W1866 VanDerWaalsContact O-CB 3.27Å; F1862-W1866 WeakPolarHBondContact O-CB 3.35Å; F1862-W1866 PolarHBondContact O-N 2.92Å; T1863-W1866 PolarHBondContact O-N 2.94Å; C1864-W1866 VanDerWaalsContact C-N 3.3Å; C1864-W1866 PolarHBondContact O-N 3.06Å; W1866-I1869 PolarHBondContact O-N 3.25Å; W1866-V1870 HydrophobicContact CD2-CG2 3.96Å; W1866-V1870 HydrophobicContact CE3-CB 4.36Å; W1866-V1870 HydrophobicContact CE3-CG2 3.86Å; W1866-V1870 HydrophobicContact CH2-CB 4.41Å; W1866-V1870 HydrophobicContact CH2-CG1 4.42Å; W1866-V1870 HydrophobicContact CH2-CG2 3.66Å; W1866-V1870 HydrophobicContact CZ2-CG2 3.78Å; W1866-V1870 HydrophobicContact CZ3-CB 4.1Å; W1866-V1870 HydrophobicContact CZ3-CG1 4.32Å; W1866-V1870 HydrophobicContact CZ3-CG2 3.69Å; W1866-V1870 WeakPolarHBondContact O-CG2 3.48Å; W1866-V1870 PolarHBondContact O-N 2.97Å; W1866-L1895 HydrophobicContact CH2-CB 4.09Å; W1866-L1895 WeakPolarHBondContact CH2-O 3.48Å; W1866-L1895 HydrophobicContact CZ2-CB 4.27Å; W1866-L1895 HydrophobicContact CZ2-CD2 3.99Å; W1866-D1898 HydrophobicContact CH2-CB 4.41Å; W1866-I1899 HydrophobicContact CZ3-CB 4.06Å |
| 1867 | M | 92.7 | Very high | 89.2 | Confident | 13 Ų | 13 | 37 Ų | 37 | 6% | 0.064 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.9 | -36.3 | 175.8 | -78.7 | -172.1 | 56.9 | 0 | 0 | 113 | T1863 C1864 C1865 I1869 V1870 G1871 I1899 V1919 G1922 F1923 I1926 | T1863-M1867 WeakPolarHBondContact O-CB 3.37Å; T1863-M1867 WeakPolarHBondContact O-CG 3.4Å; T1863-M1867 PolarHBondContact O-N 2.94Å; C1864-M1867 WeakPolarHBondContact O-CA 3.48Å; C1864-M1867 WeakPolarHBondContact O-CB 3.36Å; C1864-M1867 PolarHBondContact O-N 3.05Å; C1865-M1867 VanDerWaalsContact C-N 3.29Å; C1865-M1867 PolarHBondContact O-N 3.39Å; M1867-I1869 VanDerWaalsContact C-N 3.3Å; M1867-I1869 PolarHBondContact O-N 3.45Å; M1867-V1870 PolarHBondContact O-N 3.3Å; M1867-G1871 PolarHBondContact O-N 3.23Å; M1867-I1899 HydrophobicContact CG-CD1 4.09Å; M1867-I1899 HydrophobicContact CG-CG1 4.36Å; M1867-I1899 HydrophobicContact SD-CD1 3.68Å; M1867-I1899 HydrophobicContact SD-CG1 3.94Å; M1867-V1919 WeakPolarHBondContact CE-O 3.35Å; M1867-V1919 HydrophobicContact SD-CB 4.28Å; M1867-V1919 HydrophobicContact SD-CG1 3.52Å; M1867-V1919 VanDerWaalsContact SD-CG1 3.52Å; M1867-G1922 VanDerWaalsContact CE-C 3.43Å; M1867-F1923 HydrophobicContact CE-CB 4.11Å; M1867-F1923 VanDerWaalsContact CE-N 3.27Å; M1867-I1926 HydrophobicContact CE-CD1 4.2Å |
| 1868 | D | 87.9 | Confident | 89.2 | Confident | 89 Ų | 89 | 33.8 Ų | 33.8 | 48% | 0.476 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.2 | -40.8 | 175.4 | -69.2 | -25.1 | 0 | 0 | 0 | 111 | C1864 C1865 H1872 | C1864-D1868 PolarHBondContact O-N 3.42Å; C1865-D1868 PolarHBondContact O-N 3.32Å; D1868-H1872 WeakPolarHBondContact O-CB 3.44Å; D1868-H1872 PolarHBondContact O-N 2.84Å; D1868-H1872 VanDerWaalsContact O-N 3.13Å |
| 1869 | I | 93.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64 | -49.7 | 173.3 | -62.6 | 166.5 | 0 | 0 | 0 | 110.6 | E1819 L1822 M1823 L1851 F1862 C1865 W1866 M1867 G1871 H1872 L1875 | E1819-I1869 HydrophobicContact CG-CD1 4.42Å; E1819-I1869 HydrophobicContact CG-CG1 4.31Å; L1822-I1869 HydrophobicContact CB-CD1 3.93Å; L1822-I1869 HydrophobicContact CD1-CD1 4.03Å; M1823-I1869 HydrophobicContact CG-CG1 3.86Å; M1823-I1869 HydrophobicContact SD-CB 4.15Å; M1823-I1869 HydrophobicContact SD-CG1 3.77Å; M1823-I1869 HydrophobicContact SD-CG2 3.99Å; L1851-I1869 HydrophobicContact CD1-CG2 3.86Å; L1851-I1869 HydrophobicContact CD2-CG2 4.13Å; F1862-I1869 HydrophobicContact CE1-CD1 4.32Å; F1862-I1869 HydrophobicContact CZ-CD1 3.81Å; C1865-I1869 VanDerWaalsContact O-CG1 3.32Å; C1865-I1869 WeakPolarHBondContact O-CG1 3.47Å; C1865-I1869 PolarHBondContact O-N 2.91Å; W1866-I1869 PolarHBondContact O-N 3.25Å; M1867-I1869 VanDerWaalsContact C-N 3.3Å; M1867-I1869 PolarHBondContact O-N 3.45Å; I1869-G1871 VanDerWaalsContact C-N 3.3Å; I1869-G1871 PolarHBondContact O-N 3.06Å; I1869-H1872 WeakPolarHBondContact O-CB 3.25Å; I1869-H1872 PolarHBondContact O-N 3.43Å; I1869-H1872 VanDerWaalsContact O-N 3.16Å; I1869-L1875 HydrophobicContact CG2-CD2 4.28Å; I1869-L1875 VanDerWaalsContact O-CD2 3.29Å; I1869-L1875 WeakPolarHBondContact O-CD2 3.31Å |
| 1870 | V | 93.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.7 | -33.6 | -177.4 | 171.3 | 0 | 0 | 0 | 0 | 112.4 | L1851 W1866 M1867 H1872 Y1892 L1895 | L1851-V1870 HydrophobicContact CD1-CG2 4.3Å; W1866-V1870 HydrophobicContact CD2-CG2 3.96Å; W1866-V1870 HydrophobicContact CE3-CB 4.36Å; W1866-V1870 HydrophobicContact CE3-CG2 3.86Å; W1866-V1870 HydrophobicContact CH2-CB 4.41Å; W1866-V1870 HydrophobicContact CH2-CG1 4.42Å; W1866-V1870 HydrophobicContact CH2-CG2 3.66Å; W1866-V1870 HydrophobicContact CZ2-CG2 3.78Å; W1866-V1870 HydrophobicContact CZ3-CB 4.1Å; W1866-V1870 HydrophobicContact CZ3-CG1 4.32Å; W1866-V1870 HydrophobicContact CZ3-CG2 3.69Å; W1866-V1870 WeakPolarHBondContact O-CG2 3.48Å; W1866-V1870 PolarHBondContact O-N 2.97Å; M1867-V1870 PolarHBondContact O-N 3.3Å; V1870-H1872 VanDerWaalsContact C-N 3.33Å; V1870-Y1892 HydrophobicContact CG1-CE2 4.22Å; V1870-Y1892 PolarHBondContact O-OH 3.46Å; V1870-L1895 HydrophobicContact CG1-CB 4.46Å; V1870-L1895 HydrophobicContact CG2-CD1 4.32Å |
| 1871 | G | 90.3 | Very high | 89.2 | Confident | 29 Ų | 29 | 29.1 Ų | 29.1 | 30% | 0.299 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -5.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | M1867 I1869 R1873 I1876 | M1867-G1871 PolarHBondContact O-N 3.23Å; I1869-G1871 VanDerWaalsContact C-N 3.3Å; I1869-G1871 PolarHBondContact O-N 3.06Å; G1871-R1873 PolarHBondContact O-N 3.43Å; G1871-I1876 WeakPolarHBondContact O-CD1 3.35Å |
| 1872 | H | 89.5 | Confident | 88.9 | Confident | 49 Ų | 49 | 28.7 Ų | 28.7 | 23% | 0.227 | 18% | 0.184 | C | C | . | . | trans | -72 | 130.6 | -174.8 | -168.7 | -90.9 | 0 | 0 | 0 | 112.4 | M1823 F1827 D1868 I1869 V1870 R1874 L1875 I1876 | M1823-H1872 HydrophobicContact CE-CB 4.02Å; M1823-H1872 VanDerWaalsContact CE-CD2 3.43Å; M1823-H1872 WeakPolarHBondContact CE-CD2 3.35Å; M1823-H1872 VanDerWaalsContact CE-CG 3.47Å; F1827-H1872 AromaticContact CE1-CE1 3.69Å; F1827-H1872 AromaticContact CZ-CE1 3.53Å; F1827-H1872 AromaticContact CZ-NE2 3.91Å; D1868-H1872 WeakPolarHBondContact O-CB 3.44Å; D1868-H1872 PolarHBondContact O-N 2.84Å; D1868-H1872 VanDerWaalsContact O-N 3.13Å; I1869-H1872 WeakPolarHBondContact O-CB 3.25Å; I1869-H1872 PolarHBondContact O-N 3.43Å; I1869-H1872 VanDerWaalsContact O-N 3.16Å; V1870-H1872 VanDerWaalsContact C-N 3.33Å; H1872-R1874 VanDerWaalsContact C-N 3.26Å; H1872-R1874 PolarHBondContact ND1-N 3.06Å; H1872-R1874 PolarHBondContact O-N 3.33Å; H1872-R1874 VanDerWaalsContact O-N 3.08Å; H1872-L1875 PolarHBondContact O-N 3.28Å; H1872-I1876 PolarHBondContact O-N 2.66Å | ||
| 1873 | R | 84.4 | Confident | 88.7 | Confident | 97 Ų | 97 | 29.1 Ų | 29.1 | 37% | 0.366 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -52.6 | -37.2 | -175.4 | 64.4 | 174.6 | 172.8 | 173.5 | -8.5 | 114.8 | K1550 P1552 G1871 G1877 | K1550-R1873 PolarHBondContact O-NH1 3.2Å; P1552-R1873 PolarHBondContact O-NH2 3.21Å; G1871-R1873 PolarHBondContact O-N 3.43Å; R1873-G1877 PolarHBondContact O-N 3.01Å |
| 1874 | R | 82.4 | Confident | 87.9 | Confident | 52 Ų | 52 | 32.4 Ų | 32.4 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.5 | -34.7 | -180 | -165.1 | 163.5 | 170 | 172.9 | 7.1 | 111.7 | F1826 F1827 T1830 H1872 A1878 | F1826-R1874 HydrophobicContact CE1-CB 4.29Å; F1826-R1874 HydrophobicContact CE1-CG 4.05Å; F1827-R1874 HydrophobicContact CD1-CG 4.41Å; F1827-R1874 HydrophobicContact CE1-CB 4.04Å; F1827-R1874 HydrophobicContact CE1-CG 4.26Å; T1830-R1874 PolarHBondContact O-NH2 3.36Å; T1830-R1874 VanDerWaalsContact O-NH2 3.11Å; H1872-R1874 VanDerWaalsContact C-N 3.26Å; H1872-R1874 PolarHBondContact ND1-N 3.06Å; H1872-R1874 PolarHBondContact O-N 3.33Å; H1872-R1874 VanDerWaalsContact O-N 3.08Å; R1874-A1878 WeakPolarHBondContact O-CB 3.42Å; R1874-A1878 PolarHBondContact O-N 3.4Å |
| 1875 | L | 92.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.2 | -47.5 | 174.3 | -175.4 | 73 | 0 | 0 | 0 | 110.4 | F1826 Y1847 L1851 I1869 H1872 G1877 A1878 V1879 | F1826-L1875 HydrophobicContact CD2-CD1 4Å; F1826-L1875 HydrophobicContact CE1-CB 4.12Å; F1826-L1875 HydrophobicContact CE1-CD1 4.15Å; F1826-L1875 HydrophobicContact CE2-CD1 3.44Å; F1826-L1875 VanDerWaalsContact CE2-CD1 3.44Å; F1826-L1875 HydrophobicContact CZ-CB 4.18Å; F1826-L1875 HydrophobicContact CZ-CD1 3.53Å; F1826-L1875 HydrophobicContact CZ-CG 4.44Å; Y1847-L1875 HydrophobicContact CD1-CD1 4.11Å; Y1847-L1875 HydrophobicContact CE1-CD1 4.09Å; L1851-L1875 HydrophobicContact CD1-CD2 3.99Å; I1869-L1875 HydrophobicContact CG2-CD2 4.28Å; I1869-L1875 VanDerWaalsContact O-CD2 3.29Å; I1869-L1875 WeakPolarHBondContact O-CD2 3.31Å; H1872-L1875 PolarHBondContact O-N 3.28Å; L1875-G1877 PolarHBondContact O-N 3.29Å; L1875-A1878 PolarHBondContact O-N 3.06Å; L1875-V1879 HydrophobicContact CD1-CG2 3.95Å; L1875-V1879 HydrophobicContact CG-CG2 4.17Å; L1875-V1879 WeakPolarHBondContact O-CB 3.37Å; L1875-V1879 WeakPolarHBondContact O-CG2 3.37Å; L1875-V1879 PolarHBondContact O-N 3.47Å |
| 1876 | I | 90 | Very high | 86.3 | Confident | 11 Ų | 11 | 38.5 Ų | 38.5 | 6% | 0.056 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.2 | -50.8 | 177.1 | -62 | -178.1 | 0 | 0 | 0 | 110.2 | G1871 H1872 V1879 L1880 Y1892 F1934 | G1871-I1876 WeakPolarHBondContact O-CD1 3.35Å; H1872-I1876 PolarHBondContact O-N 2.66Å; I1876-V1879 PolarHBondContact O-N 3.06Å; I1876-L1880 HydrophobicContact CG2-CD1 3.74Å; I1876-L1880 HydrophobicContact CG2-CG 4.4Å; I1876-L1880 VanDerWaalsContact O-CB 3.26Å; I1876-L1880 WeakPolarHBondContact O-CB 3.34Å; I1876-L1880 WeakPolarHBondContact O-CG 3.44Å; I1876-L1880 PolarHBondContact O-N 3.09Å; I1876-Y1892 HydrophobicContact CG1-CE2 4.03Å; I1876-Y1892 WeakPolarHBondContact CG1-OH 3.39Å; I1876-F1934 HydrophobicContact CG2-CD2 4.08Å; I1876-F1934 HydrophobicContact CG2-CE2 3.7Å |
| 1877 | G | 85.8 | Confident | 85.7 | Confident | 29 Ų | 29 | 45.4 Ų | 45.4 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | R1873 L1875 V1879 A1881 G1882 | R1873-G1877 PolarHBondContact O-N 3.01Å; L1875-G1877 PolarHBondContact O-N 3.29Å; G1877-V1879 VanDerWaalsContact C-N 3.33Å; G1877-V1879 PolarHBondContact O-N 3.35Å; G1877-A1881 CarbonylContact O-C 3.43Å; G1877-A1881 WeakPolarHBondContact O-CA 3.41Å; G1877-A1881 VanDerWaalsContact O-CB 3.25Å; G1877-A1881 WeakPolarHBondContact O-CB 3.28Å; G1877-A1881 PolarHBondContact O-N 3.29Å; G1877-G1882 PolarHBondContact O-N 3.41Å |
| 1878 | A | 88.8 | Confident | 85.5 | Confident | 22 Ų | 22 | 44.8 Ų | 44.8 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63 | -38.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1826 V1844 R1874 L1875 G1882 I1883 | F1826-A1878 HydrophobicContact CZ-CB 3.8Å; V1844-A1878 HydrophobicContact CG1-CB 4.4Å; V1844-A1878 HydrophobicContact CG2-CB 4.42Å; R1874-A1878 WeakPolarHBondContact O-CB 3.42Å; R1874-A1878 PolarHBondContact O-N 3.4Å; L1875-A1878 PolarHBondContact O-N 3.06Å; A1878-G1882 CarbonylContact O-C 3.43Å; A1878-G1882 WeakPolarHBondContact O-CA 3.12Å; A1878-G1882 PolarHBondContact O-N 3.16Å; A1878-I1883 PolarHBondContact O-N 2.96Å |
| 1879 | V | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -80.2 | -48.6 | -178.3 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | V1844 C1848 L1875 I1876 G1877 I1883 G1888 Y1892 | V1844-V1879 HydrophobicContact CG1-CB 4.49Å; V1844-V1879 HydrophobicContact CG1-CG2 3.54Å; C1848-V1879 VanDerWaalsContact SG-CG2 3.54Å; L1875-V1879 HydrophobicContact CD1-CG2 3.95Å; L1875-V1879 HydrophobicContact CG-CG2 4.17Å; L1875-V1879 WeakPolarHBondContact O-CB 3.37Å; L1875-V1879 WeakPolarHBondContact O-CG2 3.37Å; L1875-V1879 PolarHBondContact O-N 3.47Å; I1876-V1879 PolarHBondContact O-N 3.06Å; G1877-V1879 VanDerWaalsContact C-N 3.33Å; G1877-V1879 PolarHBondContact O-N 3.35Å; V1879-I1883 HydrophobicContact CG1-CD1 4.43Å; V1879-I1883 WeakPolarHBondContact O-CB 3.45Å; V1879-G1888 VanDerWaalsContact CG1-O 3.31Å; V1879-G1888 WeakPolarHBondContact CG1-O 3.32Å; V1879-G1888 VanDerWaalsContact O-CA 3.23Å; V1879-G1888 WeakPolarHBondContact O-CA 3.28Å; V1879-Y1892 HydrophobicContact CB-CD2 4.34Å; V1879-Y1892 HydrophobicContact CG1-CD2 4.17Å; V1879-Y1892 HydrophobicContact CG1-CG 4.42Å |
| 1880 | L | 90.8 | Very high | 85.6 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -87.4 | -29.5 | -171.8 | -59.9 | -177.7 | 0 | 0 | 0 | 113.6 | I1876 F1889 Y1892 L1930 F1934 L1937 | I1876-L1880 HydrophobicContact CG2-CD1 3.74Å; I1876-L1880 HydrophobicContact CG2-CG 4.4Å; I1876-L1880 VanDerWaalsContact O-CB 3.26Å; I1876-L1880 WeakPolarHBondContact O-CB 3.34Å; I1876-L1880 WeakPolarHBondContact O-CG 3.44Å; I1876-L1880 PolarHBondContact O-N 3.09Å; L1880-F1889 HydrophobicContact CB-CE1 4.22Å; L1880-F1889 HydrophobicContact CD2-CD1 3.56Å; L1880-F1889 HydrophobicContact CD2-CE1 3.99Å; L1880-F1889 HydrophobicContact CD2-CG 4.44Å; L1880-Y1892 HydrophobicContact CD1-CD1 4.17Å; L1880-Y1892 HydrophobicContact CD1-CE1 4.44Å; L1880-Y1892 HydrophobicContact CD1-CG 4.48Å; L1880-Y1892 HydrophobicContact CD2-CD1 4.16Å; L1880-Y1892 HydrophobicContact CD2-CG 3.92Å; L1880-Y1892 HydrophobicContact CG-CD1 4.45Å; L1880-Y1892 HydrophobicContact CG-CG 4.28Å; L1880-L1930 HydrophobicContact CD1-CD2 3.63Å; L1880-F1934 HydrophobicContact CB-CD1 3.74Å; L1880-F1934 HydrophobicContact CB-CD2 4.41Å; L1880-F1934 HydrophobicContact CB-CE1 3.63Å; L1880-F1934 HydrophobicContact CB-CE2 4.33Å; L1880-F1934 HydrophobicContact CB-CG 4.14Å; L1880-F1934 HydrophobicContact CB-CZ 3.94Å; L1880-F1934 HydrophobicContact CD1-CB 3.96Å; L1880-F1934 HydrophobicContact CD1-CD1 4.09Å; L1880-F1934 HydrophobicContact CD1-CD2 3.61Å; L1880-F1934 HydrophobicContact CD1-CE2 4.1Å; L1880-F1934 HydrophobicContact CD1-CG 3.61Å; L1880-L1937 HydrophobicContact CD1-CD2 4.25Å; L1880-L1937 HydrophobicContact CD2-CD1 4.38Å; L1880-L1937 HydrophobicContact CD2-CD2 4.28Å |
| 1881 | A | 83.9 | Confident | 85.6 | Confident | 76 Ų | 76 | 46.5 Ų | 46.5 | 63% | 0.628 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | -32.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | G1877 F1934 | G1877-A1881 CarbonylContact O-C 3.43Å; G1877-A1881 WeakPolarHBondContact O-CA 3.41Å; G1877-A1881 VanDerWaalsContact O-CB 3.25Å; G1877-A1881 WeakPolarHBondContact O-CB 3.28Å; G1877-A1881 PolarHBondContact O-N 3.29Å; A1881-F1934 HydrophobicContact CB-CE1 4.42Å |
| 1882 | G | 79.4 | Confident | 85.8 | Confident | 50 Ų | 50 | 45.1 Ų | 45.1 | 52% | 0.515 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -83.5 | -16.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | G1877 A1878 | G1877-G1882 PolarHBondContact O-N 3.41Å; A1878-G1882 CarbonylContact O-C 3.43Å; A1878-G1882 WeakPolarHBondContact O-CA 3.12Å; A1878-G1882 PolarHBondContact O-N 3.16Å |
| 1883 | I | 84.8 | Confident | 86 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 5% | 0.051 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -109.7 | 146.3 | 175.1 | -54.9 | 172.4 | 0 | 0 | 0 | 107.8 | V1844 V1845 A1878 V1879 E1885 K1887 | V1844-I1883 HydrophobicContact CB-CD1 4.14Å; V1844-I1883 HydrophobicContact CG1-CD1 3.83Å; V1845-I1883 HydrophobicContact CG2-CD1 3.67Å; A1878-I1883 PolarHBondContact O-N 2.96Å; V1879-I1883 HydrophobicContact CG1-CD1 4.43Å; V1879-I1883 WeakPolarHBondContact O-CB 3.45Å; I1883-E1885 PolarHBondContact O-N 2.93Å; I1883-E1885 VanDerWaalsContact O-N 3.14Å; I1883-K1887 HydrophobicContact CG2-CB 3.88Å |
| 1884 | S | 74.2 | Confident | 86.5 | Confident | 75 Ų | 75 | 41.8 Ų | 41.8 | 52% | 0.524 | 24% | 0.237 | S | C | . | . | trans | -44.7 | 125.1 | 170.6 | 62.7 | 0 | 0 | 0 | 0 | 110.5 | Q1886 K1887 G1888 | S1884-Q1886 PolarHBondContact O-N 3.47Å; S1884-K1887 PolarHBondContact O-N 3.45Å; S1884-G1888 PolarHBondContact O-N 2.89Å; S1884-G1888 VanDerWaalsContact O-N 3.15Å | ||
| 1885 | E | 71 | Confident | 87.2 | Confident | 126 Ų | 126 | 39.4 Ų | 39.4 | 59% | 0.589 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -40.4 | -49.1 | -165.8 | -67 | 177.1 | 172.4 | 0 | 0 | 113.3 | I1883 K1887 G1888 F1889 | I1883-E1885 PolarHBondContact O-N 2.93Å; I1883-E1885 VanDerWaalsContact O-N 3.14Å; E1885-K1887 PolarHBondContact O-N 2.92Å; E1885-G1888 PolarHBondContact O-N 2.58Å; E1885-F1889 WeakPolarHBondContact O-CB 3.18Å; E1885-F1889 WeakPolarHBondContact O-CD1 3.03Å; E1885-F1889 WeakPolarHBondContact O-CG 3.44Å; E1885-F1889 PolarHBondContact O-N 3.36Å |
| 1886 | Q | 73.5 | Confident | 87.4 | Confident | 71 Ų | 71 | 39.3 Ų | 39.3 | 33% | 0.332 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.7 | -44.7 | -177.5 | -69.7 | -61.4 | -79.7 | 0 | 0 | 114.7 | S1884 H1890 R1991 | S1884-Q1886 PolarHBondContact O-N 3.47Å; Q1886-H1890 WeakPolarHBondContact O-CB 3.37Å; Q1886-H1890 PolarHBondContact O-N 3.24Å; Q1886-R1991 VanDerWaalsContact CD-CZ 3.44Å |
| 1887 | K | 80.8 | Confident | 87.6 | Confident | 148 Ų | 148 | 40 Ų | 40 | 64% | 0.643 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -75.5 | -42.1 | -178.8 | -70.7 | -176.5 | 179.9 | 177.5 | 0 | 111.1 | I1883 S1884 E1885 H1890 V1891 | I1883-K1887 HydrophobicContact CG2-CB 3.88Å; S1884-K1887 PolarHBondContact O-N 3.45Å; E1885-K1887 PolarHBondContact O-N 2.92Å; K1887-H1890 PolarHBondContact O-N 3.33Å; K1887-V1891 WeakPolarHBondContact O-CG2 3.44Å; K1887-V1891 PolarHBondContact O-N 3.46Å |
| 1888 | G | 88.1 | Confident | 88.2 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.4 | -47.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1879 S1884 E1885 H1890 V1891 Y1892 | V1879-G1888 VanDerWaalsContact CG1-O 3.31Å; V1879-G1888 WeakPolarHBondContact CG1-O 3.32Å; V1879-G1888 VanDerWaalsContact O-CA 3.23Å; V1879-G1888 WeakPolarHBondContact O-CA 3.28Å; S1884-G1888 PolarHBondContact O-N 2.89Å; S1884-G1888 VanDerWaalsContact O-N 3.15Å; E1885-G1888 PolarHBondContact O-N 2.58Å; G1888-H1890 VanDerWaalsContact C-N 3.35Å; G1888-H1890 PolarHBondContact O-N 2.94Å; G1888-V1891 PolarHBondContact O-N 3.13Å; G1888-Y1892 PolarHBondContact O-N 3.5Å |
| 1889 | F | 91.7 | Very high | 88.5 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | -180 | -76.1 | 20 | 0 | 0 | 0 | 111.8 | L1880 E1885 V1891 Y1892 A1893 E1936 L1937 Y1941 | L1880-F1889 HydrophobicContact CB-CE1 4.22Å; L1880-F1889 HydrophobicContact CD2-CD1 3.56Å; L1880-F1889 HydrophobicContact CD2-CE1 3.99Å; L1880-F1889 HydrophobicContact CD2-CG 4.44Å; E1885-F1889 WeakPolarHBondContact O-CB 3.18Å; E1885-F1889 WeakPolarHBondContact O-CD1 3.03Å; E1885-F1889 WeakPolarHBondContact O-CG 3.44Å; E1885-F1889 PolarHBondContact O-N 3.36Å; F1889-V1891 VanDerWaalsContact C-N 3.35Å; F1889-V1891 PolarHBondContact O-N 3.37Å; F1889-Y1892 PolarHBondContact O-N 3.4Å; F1889-A1893 WeakPolarHBondContact O-CB 3.33Å; F1889-A1893 PolarHBondContact O-N 2.83Å; F1889-E1936 HydrophobicContact CE2-CB 3.78Å; F1889-E1936 HydrophobicContact CZ-CB 4.28Å; F1889-L1937 HydrophobicContact CB-CD1 3.53Å; F1889-L1937 HydrophobicContact CD1-CD1 4.31Å; F1889-L1937 HydrophobicContact CD2-CB 4.06Å; F1889-L1937 HydrophobicContact CD2-CD1 4.04Å; F1889-L1937 HydrophobicContact CE2-CB 4.12Å; F1889-L1937 HydrophobicContact CG-CB 4.36Å; F1889-L1937 HydrophobicContact CG-CD1 3.71Å; F1889-L1937 HydrophobicContact CZ-CB 4.47Å; F1889-L1937 WeakPolarHBondContact O-CD1 3.49Å; F1889-Y1941 HydrophobicContact CB-CE2 3.92Å |
| 1890 | H | 91.5 | Very high | 88.6 | Confident | 106 Ų | 106 | 37.9 Ų | 37.9 | 49% | 0.491 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 177.2 | -175.9 | 69.1 | 0 | 0 | 0 | 112.7 | Q1886 K1887 G1888 K1894 Y1941 | Q1886-H1890 WeakPolarHBondContact O-CB 3.37Å; Q1886-H1890 PolarHBondContact O-N 3.24Å; K1887-H1890 PolarHBondContact O-N 3.33Å; G1888-H1890 VanDerWaalsContact C-N 3.35Å; G1888-H1890 PolarHBondContact O-N 2.94Å; H1890-K1894 PolarHBondContact O-N 3.29Å; H1890-K1894 VanDerWaalsContact O-N 3.08Å; H1890-Y1941 WeakPolarHBondContact CA-OH 3.37Å; H1890-Y1941 VanDerWaalsContact CB-OH 3.28Å; H1890-Y1941 WeakPolarHBondContact CB-OH 3.19Å; H1890-Y1941 PolarHBondContact N-OH 3.11Å |
| 1891 | V | 92.8 | Very high | 88.6 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 9% | 0.085 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.4 | -45.6 | -179.6 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | V1845 C1848 K1887 G1888 F1889 K1894 L1895 | V1845-V1891 HydrophobicContact CG1-CG2 3.95Å; V1845-V1891 HydrophobicContact CG2-CG2 4.12Å; C1848-V1891 HydrophobicContact CB-CG1 3.23Å; K1887-V1891 WeakPolarHBondContact O-CG2 3.44Å; K1887-V1891 PolarHBondContact O-N 3.46Å; G1888-V1891 PolarHBondContact O-N 3.13Å; F1889-V1891 VanDerWaalsContact C-N 3.35Å; F1889-V1891 PolarHBondContact O-N 3.37Å; V1891-K1894 WeakPolarHBondContact O-CB 3.43Å; V1891-K1894 PolarHBondContact O-N 2.89Å; V1891-L1895 PolarHBondContact O-N 3.41Å |
| 1892 | Y | 96 | Very high | 89.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.9 | -39.8 | 179.9 | -159.3 | -100.1 | 0 | 0 | 0 | 112.4 | V1870 I1876 V1879 L1880 G1888 F1889 K1894 L1895 L1896 L1930 L1937 | V1870-Y1892 HydrophobicContact CG1-CE2 4.22Å; V1870-Y1892 PolarHBondContact O-OH 3.46Å; I1876-Y1892 HydrophobicContact CG1-CE2 4.03Å; I1876-Y1892 WeakPolarHBondContact CG1-OH 3.39Å; V1879-Y1892 HydrophobicContact CB-CD2 4.34Å; V1879-Y1892 HydrophobicContact CG1-CD2 4.17Å; V1879-Y1892 HydrophobicContact CG1-CG 4.42Å; L1880-Y1892 HydrophobicContact CD1-CD1 4.17Å; L1880-Y1892 HydrophobicContact CD1-CE1 4.44Å; L1880-Y1892 HydrophobicContact CD1-CG 4.48Å; L1880-Y1892 HydrophobicContact CD2-CD1 4.16Å; L1880-Y1892 HydrophobicContact CD2-CG 3.92Å; L1880-Y1892 HydrophobicContact CG-CD1 4.45Å; L1880-Y1892 HydrophobicContact CG-CG 4.28Å; G1888-Y1892 PolarHBondContact O-N 3.5Å; F1889-Y1892 PolarHBondContact O-N 3.4Å; Y1892-K1894 PolarHBondContact O-N 3.46Å; Y1892-L1895 WeakPolarHBondContact O-CB 3.43Å; Y1892-L1895 PolarHBondContact O-N 3.07Å; Y1892-L1895 VanDerWaalsContact O-N 3.1Å; Y1892-L1896 HydrophobicContact CD1-CD1 3.78Å; Y1892-L1896 HydrophobicContact CD1-CG 4Å; Y1892-L1896 HydrophobicContact CE1-CD1 3.8Å; Y1892-L1896 HydrophobicContact CE1-CD2 3.93Å; Y1892-L1896 HydrophobicContact CE1-CG 3.87Å; Y1892-L1896 PolarHBondContact O-N 3.42Å; Y1892-L1930 HydrophobicContact CD1-CD2 4.41Å; Y1892-L1930 HydrophobicContact CE1-CD1 3.99Å; Y1892-L1930 HydrophobicContact CE1-CD2 3.84Å; Y1892-L1930 HydrophobicContact CE1-CG 4.46Å; Y1892-L1937 HydrophobicContact CD1-CD2 3.76Å; Y1892-L1937 HydrophobicContact CE1-CD2 4.41Å |
| 1893 | A | 93.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59 | -36.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | F1889 L1895 L1896 L1897 L1937 Y1941 F1945 | F1889-A1893 WeakPolarHBondContact O-CB 3.33Å; F1889-A1893 PolarHBondContact O-N 2.83Å; A1893-L1895 PolarHBondContact O-N 3.37Å; A1893-L1896 PolarHBondContact O-N 3.08Å; A1893-L1897 WeakPolarHBondContact O-CB 3.2Å; A1893-L1897 VanDerWaalsContact O-CG 3.3Å; A1893-L1897 WeakPolarHBondContact O-CG 3.25Å; A1893-L1897 PolarHBondContact O-N 3.38Å; A1893-L1937 HydrophobicContact CB-CD1 4.22Å; A1893-Y1941 HydrophobicContact CB-CD1 3.53Å; A1893-Y1941 HydrophobicContact CB-CD2 3.97Å; A1893-Y1941 HydrophobicContact CB-CE1 3.76Å; A1893-Y1941 HydrophobicContact CB-CE2 4.19Å; A1893-Y1941 HydrophobicContact CB-CG 3.64Å; A1893-F1945 HydrophobicContact CB-CZ 4.28Å |
| 1894 | K | 94.9 | Very high | 89.8 | Confident | 75 Ų | 75 | 35.8 Ų | 35.8 | 33% | 0.326 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.3 | -43.6 | 174.4 | -173.1 | 178.4 | 178.3 | -173.2 | 0 | 112.1 | H1852 H1890 V1891 Y1892 L1897 D1898 | H1852-K1894 WeakPolarHBondContact CD2-CE 3.46Å; H1852-K1894 PolarHBondContact CD2-NZ 2.89Å; H1852-K1894 WeakPolarHBondContact CE1-CE 3.35Å; H1852-K1894 WeakPolarHBondContact ND1-CE 3.47Å; H1852-K1894 WeakPolarHBondContact NE2-CE 3.28Å; H1890-K1894 PolarHBondContact O-N 3.29Å; H1890-K1894 VanDerWaalsContact O-N 3.08Å; V1891-K1894 WeakPolarHBondContact O-CB 3.43Å; V1891-K1894 PolarHBondContact O-N 2.89Å; Y1892-K1894 PolarHBondContact O-N 3.46Å; K1894-L1897 PolarHBondContact O-N 3.26Å; K1894-D1898 PolarHBondContact O-N 3Å; K1894-D1898 VanDerWaalsContact O-N 3.1Å |
| 1895 | L | 96.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.9 | -46.1 | 175.7 | -60.2 | 176.9 | 0 | 0 | 0 | 111.1 | C1848 L1851 H1852 W1866 V1870 V1891 Y1892 A1893 L1897 D1898 I1899 | C1848-L1895 HydrophobicContact CB-CD1 4.14Å; L1851-L1895 HydrophobicContact CB-CD2 4.04Å; L1851-L1895 HydrophobicContact CD1-CD1 4.44Å; H1852-L1895 HydrophobicContact CB-CD2 4.18Å; W1866-L1895 HydrophobicContact CH2-CB 4.09Å; W1866-L1895 WeakPolarHBondContact CH2-O 3.48Å; W1866-L1895 HydrophobicContact CZ2-CB 4.27Å; W1866-L1895 HydrophobicContact CZ2-CD2 3.99Å; V1870-L1895 HydrophobicContact CG1-CB 4.46Å; V1870-L1895 HydrophobicContact CG2-CD1 4.32Å; V1891-L1895 PolarHBondContact O-N 3.41Å; Y1892-L1895 WeakPolarHBondContact O-CB 3.43Å; Y1892-L1895 PolarHBondContact O-N 3.07Å; Y1892-L1895 VanDerWaalsContact O-N 3.1Å; A1893-L1895 PolarHBondContact O-N 3.37Å; L1895-L1897 PolarHBondContact O-N 3.02Å; L1895-D1898 WeakPolarHBondContact O-CB 3.46Å; L1895-D1898 PolarHBondContact O-N 3.48Å; L1895-I1899 PolarHBondContact O-N 3.37Å |
| 1896 | L | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.2 | -37.9 | 175.8 | -65.6 | 175.7 | 0 | 0 | 0 | 112 | Y1892 A1893 D1898 I1899 V1900 F1923 I1926 L1930 L1937 F1945 | Y1892-L1896 HydrophobicContact CD1-CD1 3.78Å; Y1892-L1896 HydrophobicContact CD1-CG 4Å; Y1892-L1896 HydrophobicContact CE1-CD1 3.8Å; Y1892-L1896 HydrophobicContact CE1-CD2 3.93Å; Y1892-L1896 HydrophobicContact CE1-CG 3.87Å; Y1892-L1896 PolarHBondContact O-N 3.42Å; A1893-L1896 PolarHBondContact O-N 3.08Å; L1896-D1898 VanDerWaalsContact C-N 3.32Å; L1896-D1898 PolarHBondContact O-N 2.97Å; L1896-I1899 WeakPolarHBondContact O-CG2 3.5Å; L1896-I1899 PolarHBondContact O-N 2.89Å; L1896-V1900 VanDerWaalsContact O-CG2 3.29Å; L1896-V1900 WeakPolarHBondContact O-CG2 3.35Å; L1896-V1900 PolarHBondContact O-N 3.03Å; L1896-V1900 VanDerWaalsContact O-N 3.08Å; L1896-F1923 HydrophobicContact CD2-CE2 4.16Å; L1896-I1926 HydrophobicContact CD2-CG2 3.92Å; L1896-L1930 HydrophobicContact CD1-CD1 3.53Å; L1896-L1930 HydrophobicContact CD2-CD1 4.21Å; L1896-L1937 HydrophobicContact CD1-CD2 3.96Å; L1896-F1945 HydrophobicContact CB-CE1 3.57Å; L1896-F1945 HydrophobicContact CB-CZ 3.85Å; L1896-F1945 HydrophobicContact CD1-CE1 4.34Å; L1896-F1945 HydrophobicContact CD1-CZ 3.79Å |
| 1897 | L | 94.8 | Very high | 91.6 | Very high | 25 Ų | 25 | 29.5 Ų | 29.5 | 13% | 0.131 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.9 | -30.9 | 175.1 | -75.6 | 169.3 | 0 | 0 | 0 | 112.9 | A1893 K1894 L1895 V1900 K1901 A1944 F1945 F1948 | A1893-L1897 WeakPolarHBondContact O-CB 3.2Å; A1893-L1897 VanDerWaalsContact O-CG 3.3Å; A1893-L1897 WeakPolarHBondContact O-CG 3.25Å; A1893-L1897 PolarHBondContact O-N 3.38Å; K1894-L1897 PolarHBondContact O-N 3.26Å; L1895-L1897 PolarHBondContact O-N 3.02Å; L1897-V1900 PolarHBondContact O-N 3.48Å; L1897-K1901 VanDerWaalsContact O-CB 3.31Å; L1897-K1901 WeakPolarHBondContact O-CB 3.21Å; L1897-K1901 WeakPolarHBondContact O-CG 3.43Å; L1897-K1901 PolarHBondContact O-N 3.32Å; L1897-A1944 HydrophobicContact CD1-CB 4.22Å; L1897-A1944 HydrophobicContact CD2-CB 4.3Å; L1897-F1945 HydrophobicContact CD2-CD1 3.68Å; L1897-F1945 HydrophobicContact CD2-CE1 4.01Å; L1897-F1945 HydrophobicContact CG-CD1 4.09Å; L1897-F1945 HydrophobicContact CG-CE1 3.87Å; L1897-F1948 HydrophobicContact CD2-CD2 3.67Å; L1897-F1948 HydrophobicContact CD2-CE2 4.21Å |
| 1898 | D | 97.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.011 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.3 | -43 | 175.7 | -69.9 | -42.6 | 0 | 0 | 0 | 111.8 | H1852 R1855 W1866 K1894 L1895 L1896 K1901 F1902 | H1852-D1898 IonicContact CE1-OD1 3.52Å; H1852-D1898 PolarHBondContact CE1-OD1 3.03Å; H1852-D1898 IonicContact CE1-OD2 2.7Å; H1852-D1898 IonicContact CG-OD2 3.91Å; H1852-D1898 VanDerWaalsContact ND1-CG 3.32Å; H1852-D1898 IonicContact ND1-OD1 3.85Å; H1852-D1898 PolarHBondContact ND1-OD1 3.21Å; H1852-D1898 IonicContact ND1-OD2 2.91Å; H1852-D1898 PolarHBondContact ND1-OD2 3.09Å; R1855-D1898 HydrophobicContact CB-CB 3.95Å; R1855-D1898 WeakPolarHBondContact CD-OD1 3.27Å; R1855-D1898 IonicContact NH1-OD1 3.36Å; W1866-D1898 HydrophobicContact CH2-CB 4.41Å; K1894-D1898 PolarHBondContact O-N 3Å; K1894-D1898 VanDerWaalsContact O-N 3.1Å; L1895-D1898 WeakPolarHBondContact O-CB 3.46Å; L1895-D1898 PolarHBondContact O-N 3.48Å; L1896-D1898 VanDerWaalsContact C-N 3.32Å; L1896-D1898 PolarHBondContact O-N 2.97Å; D1898-K1901 PolarHBondContact O-N 3.45Å; D1898-F1902 WeakPolarHBondContact O-CB 3.45Å; D1898-F1902 PolarHBondContact O-N 2.93Å |
| 1899 | I | 95.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71.1 | -37 | 177.1 | -172.1 | 64.3 | 0 | 0 | 0 | 111.9 | P1856 T1863 W1866 M1867 L1895 L1896 K1901 F1902 L1903 V1919 F1923 | P1856-I1899 HydrophobicContact CB-CD1 4.46Å; P1856-I1899 HydrophobicContact CG-CD1 4.01Å; T1863-I1899 HydrophobicContact CG2-CD1 3.99Å; W1866-I1899 HydrophobicContact CZ3-CB 4.06Å; M1867-I1899 HydrophobicContact CG-CD1 4.09Å; M1867-I1899 HydrophobicContact CG-CG1 4.36Å; M1867-I1899 HydrophobicContact SD-CD1 3.68Å; M1867-I1899 HydrophobicContact SD-CG1 3.94Å; L1895-I1899 PolarHBondContact O-N 3.37Å; L1896-I1899 WeakPolarHBondContact O-CG2 3.5Å; L1896-I1899 PolarHBondContact O-N 2.89Å; I1899-K1901 PolarHBondContact O-N 3.43Å; I1899-F1902 HydrophobicContact CD1-CD1 4.04Å; I1899-F1902 PolarHBondContact O-N 3.48Å; I1899-L1903 HydrophobicContact CD1-CG 4.5Å; I1899-L1903 HydrophobicContact CG1-CD1 4.21Å; I1899-L1903 HydrophobicContact CG1-CG 4.5Å; I1899-L1903 WeakPolarHBondContact O-CB 3.39Å; I1899-L1903 WeakPolarHBondContact O-CG 3.08Å; I1899-L1903 PolarHBondContact O-N 3.04Å; I1899-V1919 HydrophobicContact CD1-CG1 3.78Å; I1899-F1923 HydrophobicContact CG1-CD2 4.46Å; I1899-F1923 HydrophobicContact CG2-CD2 3.59Å; I1899-F1923 HydrophobicContact CG2-CE2 3.55Å; I1899-F1923 HydrophobicContact CG2-CZ 4.46Å |
| 1900 | V | 92.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 173.6 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | L1896 L1897 F1902 L1903 A1904 F1923 F1948 I1949 | L1896-V1900 VanDerWaalsContact O-CG2 3.29Å; L1896-V1900 WeakPolarHBondContact O-CG2 3.35Å; L1896-V1900 PolarHBondContact O-N 3.03Å; L1896-V1900 VanDerWaalsContact O-N 3.08Å; L1897-V1900 PolarHBondContact O-N 3.48Å; V1900-F1902 VanDerWaalsContact C-N 3.31Å; V1900-F1902 PolarHBondContact O-N 2.87Å; V1900-L1903 PolarHBondContact O-N 2.87Å; V1900-A1904 WeakPolarHBondContact O-CB 3.38Å; V1900-A1904 PolarHBondContact O-N 3.11Å; V1900-F1923 HydrophobicContact CG2-CE1 3.78Å; V1900-F1923 HydrophobicContact CG2-CE2 4.08Å; V1900-F1923 HydrophobicContact CG2-CZ 3.31Å; V1900-F1948 HydrophobicContact CG1-CB 3.48Å; V1900-F1948 VanDerWaalsContact CG1-CB 3.48Å; V1900-I1949 HydrophobicContact CG1-CG1 3.63Å; V1900-I1949 HydrophobicContact CG2-CG1 4.36Å |
| 1901 | K | 92.6 | Very high | 89.6 | Confident | 65 Ų | 65 | 38.6 Ų | 38.6 | 28% | 0.283 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.3 | -35.4 | 177.2 | -75.7 | 172 | 179.6 | 176.8 | 0 | 112.4 | Q1857 L1897 D1898 I1899 F1948 | Q1857-K1901 PolarHBondContact NE2-O 3.39Å; L1897-K1901 VanDerWaalsContact O-CB 3.31Å; L1897-K1901 WeakPolarHBondContact O-CB 3.21Å; L1897-K1901 WeakPolarHBondContact O-CG 3.43Å; L1897-K1901 PolarHBondContact O-N 3.32Å; D1898-K1901 PolarHBondContact O-N 3.45Å; I1899-K1901 PolarHBondContact O-N 3.43Å; K1901-F1948 HydrophobicContact CD-CE1 4.3Å; K1901-F1948 HydrophobicContact CG-CD1 3.73Å; K1901-F1948 HydrophobicContact CG-CE1 3.95Å; K1901-F1948 HydrophobicContact CG-CG 4.12Å |
| 1902 | F | 94.4 | Very high | 88.8 | Confident | 27 Ų | 27 | 41.7 Ų | 41.7 | 12% | 0.118 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66 | -44.1 | 172.7 | 175.5 | -101 | 0 | 0 | 0 | 112 | P1856 Q1857 P1860 T1863 D1898 I1899 V1900 P1905 F1906 I1916 | P1856-F1902 HydrophobicContact CB-CB 3.85Å; P1856-F1902 HydrophobicContact CB-CD1 4.05Å; P1856-F1902 HydrophobicContact CB-CD2 3.76Å; P1856-F1902 HydrophobicContact CB-CE2 4.32Å; P1856-F1902 HydrophobicContact CB-CG 3.6Å; Q1857-F1902 HydrophobicContact CG-CB 3.96Å; Q1857-F1902 HydrophobicContact CG-CD2 4.26Å; P1860-F1902 HydrophobicContact CB-CE2 4.23Å; T1863-F1902 HydrophobicContact CG2-CD1 4.24Å; T1863-F1902 HydrophobicContact CG2-CE1 3.89Å; T1863-F1902 HydrophobicContact CG2-CZ 4.46Å; D1898-F1902 WeakPolarHBondContact O-CB 3.45Å; D1898-F1902 PolarHBondContact O-N 2.93Å; I1899-F1902 HydrophobicContact CD1-CD1 4.04Å; I1899-F1902 PolarHBondContact O-N 3.48Å; V1900-F1902 VanDerWaalsContact C-N 3.31Å; V1900-F1902 PolarHBondContact O-N 2.87Å; F1902-P1905 WeakPolarHBondContact O-CD 3.08Å; F1902-F1906 HydrophobicContact CE1-CE2 4.42Å; F1902-F1906 HydrophobicContact CZ-CE2 4.31Å; F1902-F1906 WeakPolarHBondContact O-CD2 3.23Å; F1902-F1906 WeakPolarHBondContact O-CE2 3.36Å; F1902-I1916 HydrophobicContact CE1-CD1 4.2Å |
| 1903 | L | 91.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -74.1 | -28.1 | -179.7 | -75.2 | 175.9 | 0 | 0 | 0 | 113.5 | I1899 V1900 P1905 F1906 L1907 I1916 V1919 F1923 | I1899-L1903 HydrophobicContact CD1-CG 4.5Å; I1899-L1903 HydrophobicContact CG1-CD1 4.21Å; I1899-L1903 HydrophobicContact CG1-CG 4.5Å; I1899-L1903 WeakPolarHBondContact O-CB 3.39Å; I1899-L1903 WeakPolarHBondContact O-CG 3.08Å; I1899-L1903 PolarHBondContact O-N 3.04Å; V1900-L1903 PolarHBondContact O-N 2.87Å; L1903-P1905 VanDerWaalsContact C-CD 3.45Å; L1903-F1906 PolarHBondContact O-N 3.16Å; L1903-L1907 HydrophobicContact CB-CD1 3.87Å; L1903-L1907 HydrophobicContact CB-CG 4.05Å; L1903-L1907 WeakPolarHBondContact O-CG 3.45Å; L1903-L1907 PolarHBondContact O-N 3.31Å; L1903-I1916 HydrophobicContact CD2-CG2 4.09Å; L1903-V1919 HydrophobicContact CD1-CG1 4.22Å; L1903-V1919 HydrophobicContact CD2-CB 4.36Å; L1903-V1919 HydrophobicContact CD2-CG1 3.71Å; L1903-V1919 HydrophobicContact CG-CG1 4.16Å; L1903-F1923 HydrophobicContact CD1-CB 4.35Å; L1903-F1923 HydrophobicContact CD1-CD1 4.36Å; L1903-F1923 HydrophobicContact CD1-CG 4.46Å |
| 1904 | A | 87.7 | Confident | 87.3 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 3% | 0.033 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -50.7 | -42.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | V1900 R1908 | V1900-A1904 WeakPolarHBondContact O-CB 3.38Å; V1900-A1904 PolarHBondContact O-N 3.11Å; A1904-R1908 VanDerWaalsContact O-CG 3.31Å; A1904-R1908 WeakPolarHBondContact O-CG 3.5Å; A1904-R1908 PolarHBondContact O-N 3.14Å |
| 1905 | P | 84.5 | Confident | 86.6 | Confident | 72 Ų | 72 | 54.4 Ų | 54.4 | 47% | 0.468 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 176.4 | -21.8 | 34.5 | 0 | 0 | 0 | 112.9 | F1902 L1903 R1908 S1909 | F1902-P1905 WeakPolarHBondContact O-CD 3.08Å; L1903-P1905 VanDerWaalsContact C-CD 3.45Å; P1905-R1908 PolarHBondContact O-N 3.36Å; P1905-S1909 PolarHBondContact O-N 3.5Å; P1905-S1909 VanDerWaalsContact O-N 3.08Å; P1905-S1909 PolarHBondContact O-OG 3.34Å |
| 1906 | F | 86.4 | Confident | 86.2 | Confident | 67 Ų | 67 | 54.9 Ų | 54.9 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.9 | -37.9 | 179.9 | -50.9 | -75.9 | 0 | 0 | 0 | 112 | F1902 L1903 R1908 S1909 L1910 Q1911 I1916 | F1902-F1906 HydrophobicContact CE1-CE2 4.42Å; F1902-F1906 HydrophobicContact CZ-CE2 4.31Å; F1902-F1906 WeakPolarHBondContact O-CD2 3.23Å; F1902-F1906 WeakPolarHBondContact O-CE2 3.36Å; L1903-F1906 PolarHBondContact O-N 3.16Å; F1906-R1908 VanDerWaalsContact C-N 3.34Å; F1906-S1909 PolarHBondContact O-N 3.21Å; F1906-S1909 PolarHBondContact O-OG 3.36Å; F1906-L1910 PolarHBondContact O-N 3.01Å; F1906-Q1911 PolarHBondContact O-N 3.04Å; F1906-I1916 HydrophobicContact CB-CG2 3.97Å; F1906-I1916 HydrophobicContact CD1-CD1 4.22Å; F1906-I1916 HydrophobicContact CD1-CG1 4.11Å; F1906-I1916 HydrophobicContact CD2-CD1 3.77Å; F1906-I1916 HydrophobicContact CD2-CG1 4.42Å; F1906-I1916 HydrophobicContact CE1-CD1 4.21Å; F1906-I1916 HydrophobicContact CE1-CG1 4.36Å; F1906-I1916 HydrophobicContact CE2-CD1 3.75Å; F1906-I1916 HydrophobicContact CG-CD1 4Å; F1906-I1916 HydrophobicContact CG-CG1 4.14Å; F1906-I1916 HydrophobicContact CG-CG2 4.28Å; F1906-I1916 HydrophobicContact CZ-CD1 3.98Å |
| 1907 | L | 85.8 | Confident | 85.7 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.1 | -36.8 | 175.4 | -69.5 | -176.4 | 0 | 0 | 0 | 112.1 | L1903 F1912 Y1920 P1950 N1952 L1956 | L1903-L1907 HydrophobicContact CB-CD1 3.87Å; L1903-L1907 HydrophobicContact CB-CG 4.05Å; L1903-L1907 WeakPolarHBondContact O-CG 3.45Å; L1903-L1907 PolarHBondContact O-N 3.31Å; L1907-F1912 HydrophobicContact CD2-CE1 3.9Å; L1907-F1912 HydrophobicContact CD2-CZ 3.52Å; L1907-Y1920 HydrophobicContact CD2-CD2 3.86Å; L1907-Y1920 HydrophobicContact CD2-CE2 4.08Å; L1907-P1950 HydrophobicContact CB-CG 3.78Å; L1907-N1952 PolarHBondContact O-ND2 3.15Å; L1907-L1956 HydrophobicContact CD1-CD1 4.1Å |
| 1908 | R | 82.4 | Confident | 85.1 | Confident | 141 Ų | 141 | 59.7 Ų | 59.7 | 53% | 0.532 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -71.2 | -40.3 | 175.6 | -72.3 | -178.5 | -166 | 114.2 | 0.6 | 112.4 | A1904 P1905 F1906 L1910 P1950 | A1904-R1908 VanDerWaalsContact O-CG 3.31Å; A1904-R1908 WeakPolarHBondContact O-CG 3.5Å; A1904-R1908 PolarHBondContact O-N 3.14Å; P1905-R1908 PolarHBondContact O-N 3.36Å; F1906-R1908 VanDerWaalsContact C-N 3.34Å; R1908-L1910 VanDerWaalsContact C-N 3.33Å; R1908-P1950 HydrophobicContact CB-CG 4.41Å; R1908-P1950 HydrophobicContact CG-CB 3.8Å; R1908-P1950 HydrophobicContact CG-CG 3.38Å |
| 1909 | S | 76.2 | Confident | 84.6 | Confident | 57 Ų | 57 | 60 Ų | 60 | 40% | 0.399 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -81.1 | -11.4 | -178.7 | 64.4 | 0 | 0 | 0 | 0 | 114 | P1905 F1906 Q1911 | P1905-S1909 PolarHBondContact O-N 3.5Å; P1905-S1909 VanDerWaalsContact O-N 3.08Å; P1905-S1909 PolarHBondContact O-OG 3.34Å; F1906-S1909 PolarHBondContact O-N 3.21Å; F1906-S1909 PolarHBondContact O-OG 3.36Å; S1909-Q1911 PolarHBondContact O-N 2.81Å; S1909-Q1911 PolarHBondContact OG-N 3.03Å |
| 1910 | L | 76.5 | Confident | 84.4 | Confident | 117 Ų | 117 | 61.8 Ų | 61.8 | 61% | 0.613 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 21.3 | -172.4 | -63.3 | 171.2 | 0 | 0 | 0 | 113.5 | F1906 R1908 F1912 N1952 | F1906-L1910 PolarHBondContact O-N 3.01Å; R1908-L1910 VanDerWaalsContact C-N 3.33Å; L1910-F1912 HydrophobicContact CD2-CE2 4.27Å; L1910-F1912 PolarHBondContact O-N 2.92Å; L1910-N1952 VanDerWaalsContact CD2-ND2 3.29Å; L1910-N1952 WeakPolarHBondContact CD2-ND2 3.47Å |
| 1911 | Q | 74.1 | Confident | 84 | Confident | 137 Ų | 137 | 69.4 Ų | 69.4 | 64% | 0.64 | 34% | 0.341 | S | S | * | . | trans | -90.3 | 91.6 | 177.9 | -68.9 | 176.7 | -17.3 | 0 | 0 | 110.3 | F1906 S1909 | F1906-Q1911 PolarHBondContact O-N 3.04Å; S1909-Q1911 PolarHBondContact O-N 2.81Å; S1909-Q1911 PolarHBondContact OG-N 3.03Å | ||
| 1912 | F | 75.6 | Confident | 83.7 | Confident | 79 Ų | 79 | 67.3 Ų | 67.3 | 35% | 0.346 | 34% | 0.338 | S | S | . | . | trans | -98.4 | 95.4 | 179.8 | -73.8 | -93.4 | 0 | 0 | 0 | 111.4 | L1907 L1910 I1916 Y1920 | L1907-F1912 HydrophobicContact CD2-CE1 3.9Å; L1907-F1912 HydrophobicContact CD2-CZ 3.52Å; L1910-F1912 HydrophobicContact CD2-CE2 4.27Å; L1910-F1912 PolarHBondContact O-N 2.92Å; F1912-I1916 HydrophobicContact CD1-CG2 3.92Å; F1912-I1916 HydrophobicContact CE1-CG2 4.33Å; F1912-Y1920 HydrophobicContact CE1-CD1 4.48Å; F1912-Y1920 HydrophobicContact CE1-CD2 4.15Å; F1912-Y1920 HydrophobicContact CE1-CG 4Å | ||
| 1913 | T | 81.9 | Confident | 83.7 | Confident | 83 Ų | 83 | 66.1 Ų | 66.1 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | trans | -66.3 | 163.3 | 163.2 | 63.6 | 0 | 0 | 0 | 0 | 110.2 | S1915 I1916 S1917 | T1913-S1915 PolarHBondContact O-N 2.94Å; T1913-I1916 PolarHBondContact O-N 2.83Å; T1913-I1916 WeakPolarHBondContact OG1-CG1 3.37Å; T1913-I1916 PolarHBondContact OG1-N 3.44Å; T1913-S1917 PolarHBondContact O-N 2.95Å; T1913-S1917 PolarHBondContact O-OG 3.34Å | ||
| 1914 | K | 75.9 | Confident | 83.7 | Confident | 179 Ų | 179 | 67.2 Ų | 67.2 | 78% | 0.778 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -53.4 | -41.4 | 177 | -170.1 | 175.1 | -178.2 | 179 | 0 | 111.4 | S1917 I1918 | K1914-S1917 WeakPolarHBondContact O-CB 3.44Å; K1914-S1917 PolarHBondContact O-N 3.26Å; K1914-I1918 WeakPolarHBondContact O-CG1 3.08Å; K1914-I1918 PolarHBondContact O-N 2.96Å; K1914-I1918 VanDerWaalsContact O-N 3.15Å |
| 1915 | S | 81.6 | Confident | 83.7 | Confident | 80 Ų | 80 | 75.9 Ų | 75.9 | 56% | 0.559 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.1 | -49.1 | 178.1 | -47.5 | 0 | 0 | 0 | 0 | 112.5 | T1913 S1917 I1918 V1919 | T1913-S1915 PolarHBondContact O-N 2.94Å; S1915-S1917 PolarHBondContact O-N 3.07Å; S1915-I1918 PolarHBondContact O-N 3.03Å; S1915-V1919 WeakPolarHBondContact O-CG2 3.45Å; S1915-V1919 PolarHBondContact O-N 3.18Å; S1915-V1919 VanDerWaalsContact O-N 3.15Å |
| 1916 | I | 87.3 | Confident | 84 | Confident | 12 Ų | 12 | 73.2 Ų | 73.2 | 6% | 0.062 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.5 | -33.5 | 177.4 | -64 | -62 | 0 | 0 | 0 | 111.3 | F1902 L1903 F1906 F1912 T1913 I1918 V1919 Y1920 | F1902-I1916 HydrophobicContact CE1-CD1 4.2Å; L1903-I1916 HydrophobicContact CD2-CG2 4.09Å; F1906-I1916 HydrophobicContact CB-CG2 3.97Å; F1906-I1916 HydrophobicContact CD1-CD1 4.22Å; F1906-I1916 HydrophobicContact CD1-CG1 4.11Å; F1906-I1916 HydrophobicContact CD2-CD1 3.77Å; F1906-I1916 HydrophobicContact CD2-CG1 4.42Å; F1906-I1916 HydrophobicContact CE1-CD1 4.21Å; F1906-I1916 HydrophobicContact CE1-CG1 4.36Å; F1906-I1916 HydrophobicContact CE2-CD1 3.75Å; F1906-I1916 HydrophobicContact CG-CD1 4Å; F1906-I1916 HydrophobicContact CG-CG1 4.14Å; F1906-I1916 HydrophobicContact CG-CG2 4.28Å; F1906-I1916 HydrophobicContact CZ-CD1 3.98Å; F1912-I1916 HydrophobicContact CD1-CG2 3.92Å; F1912-I1916 HydrophobicContact CE1-CG2 4.33Å; T1913-I1916 PolarHBondContact O-N 2.83Å; T1913-I1916 WeakPolarHBondContact OG1-CG1 3.37Å; T1913-I1916 PolarHBondContact OG1-N 3.44Å; I1916-I1918 PolarHBondContact O-N 2.73Å; I1916-V1919 PolarHBondContact O-N 3.32Å; I1916-Y1920 WeakPolarHBondContact O-CB 3.24Å; I1916-Y1920 PolarHBondContact O-N 3.01Å |
| 1917 | S | 86 | Confident | 84.3 | Confident | 30 Ų | 30 | 70.1 Ų | 70.1 | 21% | 0.21 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 175.5 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | T1913 K1914 S1915 R1921 | T1913-S1917 PolarHBondContact O-N 2.95Å; T1913-S1917 PolarHBondContact O-OG 3.34Å; K1914-S1917 WeakPolarHBondContact O-CB 3.44Å; K1914-S1917 PolarHBondContact O-N 3.26Å; S1915-S1917 PolarHBondContact O-N 3.07Å; S1917-R1921 WeakPolarHBondContact O-CB 3.21Å; S1917-R1921 VanDerWaalsContact O-CG 3.3Å; S1917-R1921 WeakPolarHBondContact O-CG 3.15Å; S1917-R1921 PolarHBondContact O-N 3.39Å |
| 1918 | I | 81.3 | Confident | 84.5 | Confident | 95 Ų | 95 | 74.4 Ų | 74.4 | 49% | 0.487 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.9 | -47 | 175.6 | -66.7 | 165.4 | 0 | 0 | 0 | 110 | K1914 S1915 I1916 Y1920 R1921 G1922 | K1914-I1918 WeakPolarHBondContact O-CG1 3.08Å; K1914-I1918 PolarHBondContact O-N 2.96Å; K1914-I1918 VanDerWaalsContact O-N 3.15Å; S1915-I1918 PolarHBondContact O-N 3.03Å; I1916-I1918 PolarHBondContact O-N 2.73Å; I1918-Y1920 PolarHBondContact O-N 3.3Å; I1918-R1921 PolarHBondContact O-N 2.85Å; I1918-G1922 PolarHBondContact O-N 2.72Å |
| 1919 | V | 88.3 | Confident | 84.8 | Confident | 8 Ų | 8 | 70.7 Ų | 70.7 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 177.3 | 176.8 | 0 | 0 | 0 | 0 | 111 | T1863 M1867 I1899 L1903 S1915 I1916 R1921 G1922 F1923 | T1863-V1919 HydrophobicContact CG2-CG1 4.02Å; T1863-V1919 HydrophobicContact CG2-CG2 4Å; M1867-V1919 WeakPolarHBondContact CE-O 3.35Å; M1867-V1919 HydrophobicContact SD-CB 4.28Å; M1867-V1919 HydrophobicContact SD-CG1 3.52Å; M1867-V1919 VanDerWaalsContact SD-CG1 3.52Å; I1899-V1919 HydrophobicContact CD1-CG1 3.78Å; L1903-V1919 HydrophobicContact CD1-CG1 4.22Å; L1903-V1919 HydrophobicContact CD2-CB 4.36Å; L1903-V1919 HydrophobicContact CD2-CG1 3.71Å; L1903-V1919 HydrophobicContact CG-CG1 4.16Å; S1915-V1919 WeakPolarHBondContact O-CG2 3.45Å; S1915-V1919 PolarHBondContact O-N 3.18Å; S1915-V1919 VanDerWaalsContact O-N 3.15Å; I1916-V1919 PolarHBondContact O-N 3.32Å; V1919-R1921 PolarHBondContact O-N 3.08Å; V1919-G1922 PolarHBondContact O-N 3.1Å; V1919-F1923 WeakPolarHBondContact O-CB 3.47Å; V1919-F1923 PolarHBondContact O-N 3.32Å |
| 1920 | Y | 89.3 | Confident | 85.5 | Confident | 41 Ų | 41 | 68 Ų | 68 | 16% | 0.161 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 176.1 | 175.7 | -98.3 | 0 | 0 | 0 | 112.4 | L1907 F1912 I1916 I1918 F1923 L1924 L1956 | L1907-Y1920 HydrophobicContact CD2-CD2 3.86Å; L1907-Y1920 HydrophobicContact CD2-CE2 4.08Å; F1912-Y1920 HydrophobicContact CE1-CD1 4.48Å; F1912-Y1920 HydrophobicContact CE1-CD2 4.15Å; F1912-Y1920 HydrophobicContact CE1-CG 4Å; I1916-Y1920 WeakPolarHBondContact O-CB 3.24Å; I1916-Y1920 PolarHBondContact O-N 3.01Å; I1918-Y1920 PolarHBondContact O-N 3.3Å; Y1920-F1923 PolarHBondContact O-N 2.78Å; Y1920-L1924 HydrophobicContact CD1-CD1 3.84Å; Y1920-L1924 HydrophobicContact CD1-CG 4.5Å; Y1920-L1924 HydrophobicContact CE1-CD1 3.27Å; Y1920-L1924 HydrophobicContact CE1-CG 4.07Å; Y1920-L1924 PolarHBondContact O-N 2.73Å; Y1920-L1956 HydrophobicContact CD2-CD1 4.26Å; Y1920-L1956 HydrophobicContact CE2-CD1 3.57Å; Y1920-L1956 HydrophobicContact CE2-CD2 4.15Å; Y1920-L1956 HydrophobicContact CE2-CG 3.82Å |
| 1921 | R | 85.5 | Confident | 86.2 | Confident | 163 Ų | 163 | 64.1 Ų | 64.1 | 62% | 0.615 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.5 | -40.6 | 176.7 | -74.2 | 176.3 | -172.9 | 168.5 | 2.6 | 112.1 | S1917 I1918 V1919 F1923 L1924 R1925 | S1917-R1921 WeakPolarHBondContact O-CB 3.21Å; S1917-R1921 VanDerWaalsContact O-CG 3.3Å; S1917-R1921 WeakPolarHBondContact O-CG 3.15Å; S1917-R1921 PolarHBondContact O-N 3.39Å; I1918-R1921 PolarHBondContact O-N 2.85Å; V1919-R1921 PolarHBondContact O-N 3.08Å; R1921-F1923 VanDerWaalsContact C-N 3.32Å; R1921-F1923 PolarHBondContact O-N 3.3Å; R1921-L1924 PolarHBondContact O-N 3.28Å; R1921-R1925 WeakPolarHBondContact O-CG 3.38Å; R1921-R1925 PolarHBondContact O-N 3.27Å; R1921-R1925 VanDerWaalsContact O-N 3.11Å |
| 1922 | G | 86.7 | Confident | 86.9 | Confident | 21 Ų | 21 | 64.8 Ų | 64.8 | 22% | 0.216 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.2 | -43 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M1867 I1918 V1919 L1924 R1925 I1926 | M1867-G1922 VanDerWaalsContact CE-C 3.43Å; I1918-G1922 PolarHBondContact O-N 2.72Å; V1919-G1922 PolarHBondContact O-N 3.1Å; G1922-L1924 PolarHBondContact O-N 3.02Å; G1922-R1925 WeakPolarHBondContact O-CB 3.27Å; G1922-R1925 PolarHBondContact O-N 3.4Å; G1922-I1926 WeakPolarHBondContact O-CG1 3.34Å; G1922-I1926 PolarHBondContact O-N 2.86Å; G1922-I1926 VanDerWaalsContact O-N 3.08Å |
| 1923 | F | 93.9 | Very high | 87.4 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.009 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 180 | -177.4 | -118 | 0 | 0 | 0 | 111.7 | M1867 L1896 I1899 V1900 L1903 V1919 Y1920 R1921 R1925 I1926 L1927 L1956 | M1867-F1923 HydrophobicContact CE-CB 4.11Å; M1867-F1923 VanDerWaalsContact CE-N 3.27Å; L1896-F1923 HydrophobicContact CD2-CE2 4.16Å; I1899-F1923 HydrophobicContact CG1-CD2 4.46Å; I1899-F1923 HydrophobicContact CG2-CD2 3.59Å; I1899-F1923 HydrophobicContact CG2-CE2 3.55Å; I1899-F1923 HydrophobicContact CG2-CZ 4.46Å; V1900-F1923 HydrophobicContact CG2-CE1 3.78Å; V1900-F1923 HydrophobicContact CG2-CE2 4.08Å; V1900-F1923 HydrophobicContact CG2-CZ 3.31Å; L1903-F1923 HydrophobicContact CD1-CB 4.35Å; L1903-F1923 HydrophobicContact CD1-CD1 4.36Å; L1903-F1923 HydrophobicContact CD1-CG 4.46Å; V1919-F1923 WeakPolarHBondContact O-CB 3.47Å; V1919-F1923 PolarHBondContact O-N 3.32Å; Y1920-F1923 PolarHBondContact O-N 2.78Å; R1921-F1923 VanDerWaalsContact C-N 3.32Å; R1921-F1923 PolarHBondContact O-N 3.3Å; F1923-R1925 VanDerWaalsContact C-N 3.33Å; F1923-R1925 PolarHBondContact O-N 2.71Å; F1923-I1926 PolarHBondContact O-N 3.26Å; F1923-L1927 HydrophobicContact CD1-CD1 4.08Å; F1923-L1927 HydrophobicContact CE1-CD1 3.6Å; F1923-L1927 HydrophobicContact CE1-CG 4.15Å; F1923-L1927 HydrophobicContact CE2-CD2 4.39Å; F1923-L1927 HydrophobicContact CE2-CG 4.28Å; F1923-L1927 HydrophobicContact CZ-CD1 3.88Å; F1923-L1927 HydrophobicContact CZ-CD2 4.07Å; F1923-L1927 HydrophobicContact CZ-CG 4Å; F1923-L1927 WeakPolarHBondContact O-CG 3.48Å; F1923-L1927 PolarHBondContact O-N 3.41Å; F1923-L1956 HydrophobicContact CD1-CD2 4.06Å; F1923-L1956 HydrophobicContact CE1-CD1 4.48Å; F1923-L1956 HydrophobicContact CE1-CD2 4.17Å |
| 1924 | L | 90.5 | Very high | 87.8 | Confident | 23 Ų | 23 | 61.8 Ų | 61.8 | 12% | 0.12 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.7 | -43.3 | 171.4 | -81 | 172.2 | 0 | 0 | 0 | 112.4 | Y1920 R1921 G1922 L1927 L1928 L1956 L1959 | Y1920-L1924 HydrophobicContact CD1-CD1 3.84Å; Y1920-L1924 HydrophobicContact CD1-CG 4.5Å; Y1920-L1924 HydrophobicContact CE1-CD1 3.27Å; Y1920-L1924 HydrophobicContact CE1-CG 4.07Å; Y1920-L1924 PolarHBondContact O-N 2.73Å; R1921-L1924 PolarHBondContact O-N 3.28Å; G1922-L1924 PolarHBondContact O-N 3.02Å; L1924-L1927 PolarHBondContact O-N 3.15Å; L1924-L1928 WeakPolarHBondContact O-CG 3.49Å; L1924-L1928 PolarHBondContact O-N 2.9Å; L1924-L1956 HydrophobicContact CD2-CD2 3.41Å; L1924-L1956 VanDerWaalsContact CD2-CD2 3.41Å; L1924-L1956 HydrophobicContact CD2-CG 4.41Å; L1924-L1956 HydrophobicContact CG-CD2 4.01Å; L1924-L1959 HydrophobicContact CD2-CD1 3.48Å; L1924-L1959 VanDerWaalsContact CD2-CD1 3.48Å |
| 1925 | R | 87.6 | Confident | 88.6 | Confident | 186 Ų | 186 | 53.6 Ų | 53.6 | 70% | 0.702 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -63.1 | -43.9 | 177.9 | -70.5 | 175.7 | -178.4 | -177 | -0.9 | 111.6 | R1921 G1922 F1923 L1927 L1928 V1929 | R1921-R1925 WeakPolarHBondContact O-CG 3.38Å; R1921-R1925 PolarHBondContact O-N 3.27Å; R1921-R1925 VanDerWaalsContact O-N 3.11Å; G1922-R1925 WeakPolarHBondContact O-CB 3.27Å; G1922-R1925 PolarHBondContact O-N 3.4Å; F1923-R1925 VanDerWaalsContact C-N 3.33Å; F1923-R1925 PolarHBondContact O-N 2.71Å; R1925-L1927 PolarHBondContact O-N 3.1Å; R1925-L1928 PolarHBondContact O-N 2.76Å; R1925-V1929 WeakPolarHBondContact O-CG2 3.19Å; R1925-V1929 PolarHBondContact O-N 3.36Å; R1925-V1929 VanDerWaalsContact O-N 3.08Å |
| 1926 | I | 92 | Very high | 89.1 | Confident | 16 Ų | 16 | 51.7 Ų | 51.7 | 8% | 0.082 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.1 | -46.7 | 175.4 | -65 | 171.3 | 0 | 0 | 0 | 110.3 | M1867 L1896 G1922 F1923 L1928 V1929 L1930 | M1867-I1926 HydrophobicContact CE-CD1 4.2Å; L1896-I1926 HydrophobicContact CD2-CG2 3.92Å; G1922-I1926 WeakPolarHBondContact O-CG1 3.34Å; G1922-I1926 PolarHBondContact O-N 2.86Å; G1922-I1926 VanDerWaalsContact O-N 3.08Å; F1923-I1926 PolarHBondContact O-N 3.26Å; I1926-L1928 VanDerWaalsContact C-N 3.3Å; I1926-L1928 PolarHBondContact O-N 2.94Å; I1926-V1929 PolarHBondContact O-N 2.93Å; I1926-L1930 HydrophobicContact CG2-CD1 3.94Å; I1926-L1930 HydrophobicContact CG2-CG 4.37Å; I1926-L1930 VanDerWaalsContact O-CG 3.29Å; I1926-L1930 WeakPolarHBondContact O-CG 3.38Å; I1926-L1930 PolarHBondContact O-N 2.92Å |
| 1927 | L | 92.5 | Very high | 89.3 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.8 | -36.5 | 177.4 | -73 | 180 | 0 | 0 | 0 | 113.1 | F1923 L1924 R1925 L1930 L1931 L1938 L1956 I1960 | F1923-L1927 HydrophobicContact CD1-CD1 4.08Å; F1923-L1927 HydrophobicContact CE1-CD1 3.6Å; F1923-L1927 HydrophobicContact CE1-CG 4.15Å; F1923-L1927 HydrophobicContact CE2-CD2 4.39Å; F1923-L1927 HydrophobicContact CE2-CG 4.28Å; F1923-L1927 HydrophobicContact CZ-CD1 3.88Å; F1923-L1927 HydrophobicContact CZ-CD2 4.07Å; F1923-L1927 HydrophobicContact CZ-CG 4Å; F1923-L1927 WeakPolarHBondContact O-CG 3.48Å; F1923-L1927 PolarHBondContact O-N 3.41Å; L1924-L1927 PolarHBondContact O-N 3.15Å; R1925-L1927 PolarHBondContact O-N 3.1Å; L1927-L1930 PolarHBondContact O-N 3.4Å; L1927-L1931 VanDerWaalsContact O-CB 3.28Å; L1927-L1931 WeakPolarHBondContact O-CB 3.47Å; L1927-L1931 PolarHBondContact O-N 3.3Å; L1927-L1938 HydrophobicContact CD2-CD2 3.92Å; L1927-L1956 HydrophobicContact CD1-CD2 3.7Å; L1927-I1960 HydrophobicContact CD1-CD1 4.44Å; L1927-I1960 HydrophobicContact CD1-CG1 4.47Å; L1927-I1960 HydrophobicContact CD2-CG1 4.32Å |
| 1928 | L | 90.2 | Very high | 89.7 | Confident | 91 Ų | 91 | 49.7 Ų | 49.7 | 48% | 0.476 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.6 | -41.6 | 177.1 | -74.6 | 168.3 | 0 | 0 | 0 | 112.4 | L1924 R1925 I1926 L1931 H1932 L1959 | L1924-L1928 WeakPolarHBondContact O-CG 3.49Å; L1924-L1928 PolarHBondContact O-N 2.9Å; R1925-L1928 PolarHBondContact O-N 2.76Å; I1926-L1928 VanDerWaalsContact C-N 3.3Å; I1926-L1928 PolarHBondContact O-N 2.94Å; L1928-L1931 PolarHBondContact O-N 3.14Å; L1928-H1932 PolarHBondContact O-N 3.07Å; L1928-H1932 VanDerWaalsContact O-N 3.16Å; L1928-L1959 HydrophobicContact CD2-CD2 3.61Å; L1928-L1959 HydrophobicContact CG-CD2 4.44Å |
| 1929 | V | 87.2 | Confident | 90.2 | Very high | 64 Ų | 64 | 45.2 Ų | 45.2 | 39% | 0.388 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.6 | -46.3 | 173.7 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | R1925 I1926 L1931 H1932 D1933 | R1925-V1929 WeakPolarHBondContact O-CG2 3.19Å; R1925-V1929 PolarHBondContact O-N 3.36Å; R1925-V1929 VanDerWaalsContact O-N 3.08Å; I1926-V1929 PolarHBondContact O-N 2.93Å; V1929-L1931 PolarHBondContact O-N 3.07Å; V1929-H1932 PolarHBondContact O-N 3.42Å; V1929-D1933 PolarHBondContact O-N 3.39Å |
| 1930 | L | 92.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.5 | -39.2 | 177.4 | -65.6 | 170.9 | 0 | 0 | 0 | 112.6 | L1880 Y1892 L1896 I1926 L1927 H1932 F1934 P1935 L1937 L1938 | L1880-L1930 HydrophobicContact CD1-CD2 3.63Å; Y1892-L1930 HydrophobicContact CD1-CD2 4.41Å; Y1892-L1930 HydrophobicContact CE1-CD1 3.99Å; Y1892-L1930 HydrophobicContact CE1-CD2 3.84Å; Y1892-L1930 HydrophobicContact CE1-CG 4.46Å; L1896-L1930 HydrophobicContact CD1-CD1 3.53Å; L1896-L1930 HydrophobicContact CD2-CD1 4.21Å; I1926-L1930 HydrophobicContact CG2-CD1 3.94Å; I1926-L1930 HydrophobicContact CG2-CG 4.37Å; I1926-L1930 VanDerWaalsContact O-CG 3.29Å; I1926-L1930 WeakPolarHBondContact O-CG 3.38Å; I1926-L1930 PolarHBondContact O-N 2.92Å; L1927-L1930 PolarHBondContact O-N 3.4Å; L1930-H1932 PolarHBondContact O-N 3.24Å; L1930-F1934 HydrophobicContact CD2-CB 4.42Å; L1930-F1934 HydrophobicContact CD2-CD2 4.41Å; L1930-F1934 CarbonylContact O-C 3.59Å; L1930-F1934 VanDerWaalsContact O-CA 3.31Å; L1930-F1934 WeakPolarHBondContact O-CA 3.31Å; L1930-F1934 PolarHBondContact O-N 3.06Å; L1930-P1935 VanDerWaalsContact O-N 3.07Å; L1930-L1937 HydrophobicContact CD1-CD2 4.1Å; L1930-L1937 HydrophobicContact CD2-CD2 3.92Å; L1930-L1938 HydrophobicContact CB-CD1 4.16Å; L1930-L1938 HydrophobicContact CB-CD2 4.38Å; L1930-L1938 HydrophobicContact CB-CG 4.24Å; L1930-L1938 HydrophobicContact CD1-CD2 4.34Å |
| 1931 | L | 90.9 | Very high | 90.4 | Very high | 36 Ų | 36 | 43.9 Ų | 43.9 | 19% | 0.188 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.4 | -30.7 | 177.3 | -178.6 | 63.5 | 0 | 0 | 0 | 112.2 | L1927 L1928 V1929 L1938 L1959 A1963 P2146 | L1927-L1931 VanDerWaalsContact O-CB 3.28Å; L1927-L1931 WeakPolarHBondContact O-CB 3.47Å; L1927-L1931 PolarHBondContact O-N 3.3Å; L1928-L1931 PolarHBondContact O-N 3.14Å; V1929-L1931 PolarHBondContact O-N 3.07Å; L1931-L1938 HydrophobicContact CB-CD1 3.97Å; L1931-L1938 HydrophobicContact CD1-CD1 4.29Å; L1931-L1959 HydrophobicContact CD2-CD2 3.99Å; L1931-A1963 HydrophobicContact CD1-CB 3.65Å; L1931-P2146 HydrophobicContact CD2-CG 3.93Å |
| 1932 | H | 88.4 | Confident | 90.8 | Very high | 150 Ų | 150 | 36.2 Ų | 36.2 | 69% | 0.694 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -84.8 | -52.2 | 178.3 | -176.7 | -89.1 | 0 | 0 | 0 | 112.4 | L1928 V1929 L1930 | L1928-H1932 PolarHBondContact O-N 3.07Å; L1928-H1932 VanDerWaalsContact O-N 3.16Å; V1929-H1932 PolarHBondContact O-N 3.42Å; L1930-H1932 PolarHBondContact O-N 3.24Å |
| 1933 | D | 86.2 | Confident | 91.1 | Very high | 68 Ų | 68 | 35.7 Ų | 35.7 | 36% | 0.364 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -92.7 | -28.2 | -168.9 | -65.5 | -20.4 | 0 | 0 | 0 | 113.7 | V1929 R1966 | V1929-D1933 PolarHBondContact O-N 3.39Å; D1933-R1966 PolarHBondContact O-NH1 2.89Å; D1933-R1966 PolarHBondContact O-NH2 2.84Å |
| 1934 | F | 91 | Very high | 90.9 | Very high | 31 Ų | 31 | 36.2 Ų | 36.2 | 14% | 0.136 | 17% | 0.174 | C | C | . | . | trans | -140.7 | 52.1 | -175.6 | -58 | -81.1 | 0 | 0 | 0 | 112.5 | I1876 L1880 A1881 L1930 E1936 L1937 | I1876-F1934 HydrophobicContact CG2-CD2 4.08Å; I1876-F1934 HydrophobicContact CG2-CE2 3.7Å; L1880-F1934 HydrophobicContact CB-CD1 3.74Å; L1880-F1934 HydrophobicContact CB-CD2 4.41Å; L1880-F1934 HydrophobicContact CB-CE1 3.63Å; L1880-F1934 HydrophobicContact CB-CE2 4.33Å; L1880-F1934 HydrophobicContact CB-CG 4.14Å; L1880-F1934 HydrophobicContact CB-CZ 3.94Å; L1880-F1934 HydrophobicContact CD1-CB 3.96Å; L1880-F1934 HydrophobicContact CD1-CD1 4.09Å; L1880-F1934 HydrophobicContact CD1-CD2 3.61Å; L1880-F1934 HydrophobicContact CD1-CE2 4.1Å; L1880-F1934 HydrophobicContact CD1-CG 3.61Å; A1881-F1934 HydrophobicContact CB-CE1 4.42Å; L1930-F1934 HydrophobicContact CD2-CB 4.42Å; L1930-F1934 HydrophobicContact CD2-CD2 4.41Å; L1930-F1934 CarbonylContact O-C 3.59Å; L1930-F1934 VanDerWaalsContact O-CA 3.31Å; L1930-F1934 WeakPolarHBondContact O-CA 3.31Å; L1930-F1934 PolarHBondContact O-N 3.06Å; F1934-E1936 PolarHBondContact O-N 2.88Å; F1934-E1936 VanDerWaalsContact O-N 3.11Å; F1934-L1937 WeakPolarHBondContact O-CB 3.5Å; F1934-L1937 PolarHBondContact O-N 3.33Å; F1934-L1937 VanDerWaalsContact O-N 3.1Å | ||
| 1935 | P | 92.3 | Very high | 91 | Very high | 7 Ų | 7 | 35.1 Ų | 35.1 | 5% | 0.045 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.5 | -27 | -175 | 24.6 | -34.5 | 0 | 0 | 0 | 112.7 | L1930 L1937 L1938 C1939 A1963 Y1964 R1966 | L1930-P1935 VanDerWaalsContact O-N 3.07Å; P1935-L1937 VanDerWaalsContact C-N 3.26Å; P1935-L1937 PolarHBondContact O-N 3.1Å; P1935-L1938 PolarHBondContact O-N 3.34Å; P1935-L1938 VanDerWaalsContact O-N 3.15Å; P1935-C1939 PolarHBondContact O-N 3.26Å; P1935-C1939 PolarHBondContact O-SG 3.2Å; P1935-A1963 HydrophobicContact CB-CB 4.38Å; P1935-Y1964 WeakPolarHBondContact CB-O 3.47Å; P1935-R1966 HydrophobicContact CG-CG 3.91Å |
| 1936 | E | 91.3 | Very high | 91.2 | Very high | 40 Ų | 40 | 26.3 Ų | 26.3 | 19% | 0.187 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.3 | -34.7 | 178 | -62.1 | 81.1 | -169.9 | 0 | 0 | 112.4 | F1889 F1934 C1939 D1940 R1966 | F1889-E1936 HydrophobicContact CE2-CB 3.78Å; F1889-E1936 HydrophobicContact CZ-CB 4.28Å; F1934-E1936 PolarHBondContact O-N 2.88Å; F1934-E1936 VanDerWaalsContact O-N 3.11Å; E1936-C1939 WeakPolarHBondContact O-CB 3.24Å; E1936-C1939 PolarHBondContact O-N 3.19Å; E1936-D1940 WeakPolarHBondContact O-CB 3.4Å; E1936-D1940 VanDerWaalsContact O-CG 3.32Å; E1936-D1940 PolarHBondContact O-N 2.71Å; E1936-R1966 WeakPolarHBondContact OE1-CB 3.11Å; E1936-R1966 WeakPolarHBondContact OE1-CG 3.5Å; E1936-R1966 IonicContact OE1-CZ 3.38Å; E1936-R1966 PolarHBondContact OE1-N 3.34Å; E1936-R1966 VanDerWaalsContact OE1-N 3.1Å; E1936-R1966 IonicContact OE1-NE 3.07Å; E1936-R1966 PolarHBondContact OE1-NE 2.78Å; E1936-R1966 IonicContact OE1-NH2 2.81Å; E1936-R1966 IonicContact OE2-CZ 3.72Å; E1936-R1966 IonicContact OE2-NE 3.47Å; E1936-R1966 PolarHBondContact OE2-NE 3.18Å; E1936-R1966 IonicContact OE2-NH2 3.49Å; E1936-R1966 PolarHBondContact OE2-NH2 2.97Å |
| 1937 | L | 92.6 | Very high | 91 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.4 | -48.2 | 174.9 | 175.8 | 75.3 | 0 | 0 | 0 | 111 | L1880 F1889 Y1892 A1893 L1896 L1930 F1934 P1935 C1939 D1940 Y1941 | L1880-L1937 HydrophobicContact CD1-CD2 4.25Å; L1880-L1937 HydrophobicContact CD2-CD1 4.38Å; L1880-L1937 HydrophobicContact CD2-CD2 4.28Å; F1889-L1937 HydrophobicContact CB-CD1 3.53Å; F1889-L1937 HydrophobicContact CD1-CD1 4.31Å; F1889-L1937 HydrophobicContact CD2-CB 4.06Å; F1889-L1937 HydrophobicContact CD2-CD1 4.04Å; F1889-L1937 HydrophobicContact CE2-CB 4.12Å; F1889-L1937 HydrophobicContact CG-CB 4.36Å; F1889-L1937 HydrophobicContact CG-CD1 3.71Å; F1889-L1937 HydrophobicContact CZ-CB 4.47Å; F1889-L1937 WeakPolarHBondContact O-CD1 3.49Å; Y1892-L1937 HydrophobicContact CD1-CD2 3.76Å; Y1892-L1937 HydrophobicContact CE1-CD2 4.41Å; A1893-L1937 HydrophobicContact CB-CD1 4.22Å; L1896-L1937 HydrophobicContact CD1-CD2 3.96Å; L1930-L1937 HydrophobicContact CD1-CD2 4.1Å; L1930-L1937 HydrophobicContact CD2-CD2 3.92Å; F1934-L1937 WeakPolarHBondContact O-CB 3.5Å; F1934-L1937 PolarHBondContact O-N 3.33Å; F1934-L1937 VanDerWaalsContact O-N 3.1Å; P1935-L1937 VanDerWaalsContact C-N 3.26Å; P1935-L1937 PolarHBondContact O-N 3.1Å; L1937-C1939 VanDerWaalsContact C-N 3.31Å; L1937-D1940 PolarHBondContact O-N 2.98Å; L1937-Y1941 HydrophobicContact CD1-CD2 3.96Å; L1937-Y1941 HydrophobicContact CD1-CE2 4.24Å; L1937-Y1941 WeakPolarHBondContact O-CD2 3.38Å; L1937-Y1941 PolarHBondContact O-N 2.92Å; L1937-Y1941 VanDerWaalsContact O-N 3.12Å |
| 1938 | L | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.5 | -36 | 179.1 | -60.4 | -176.8 | 0 | 0 | 0 | 110.7 | L1927 L1930 L1931 P1935 Y1942 F1945 A1963 | L1927-L1938 HydrophobicContact CD2-CD2 3.92Å; L1930-L1938 HydrophobicContact CB-CD1 4.16Å; L1930-L1938 HydrophobicContact CB-CD2 4.38Å; L1930-L1938 HydrophobicContact CB-CG 4.24Å; L1930-L1938 HydrophobicContact CD1-CD2 4.34Å; L1931-L1938 HydrophobicContact CB-CD1 3.97Å; L1931-L1938 HydrophobicContact CD1-CD1 4.29Å; P1935-L1938 PolarHBondContact O-N 3.34Å; P1935-L1938 VanDerWaalsContact O-N 3.15Å; L1938-Y1942 WeakPolarHBondContact O-CA 3.39Å; L1938-Y1942 VanDerWaalsContact O-CB 3.28Å; L1938-Y1942 WeakPolarHBondContact O-CB 3.46Å; L1938-Y1942 PolarHBondContact O-N 3.38Å; L1938-F1945 HydrophobicContact CD2-CE2 4.13Å; L1938-A1963 HydrophobicContact CB-CB 3.59Å; L1938-A1963 HydrophobicContact CD1-CB 4.36Å |
| 1939 | C | 90.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | 175 | -66.8 | 0 | 0 | 0 | 0 | 112.7 | P1935 E1936 L1937 Y1942 A1963 Y1964 R2104 Y2105 | P1935-C1939 PolarHBondContact O-N 3.26Å; P1935-C1939 PolarHBondContact O-SG 3.2Å; E1936-C1939 WeakPolarHBondContact O-CB 3.24Å; E1936-C1939 PolarHBondContact O-N 3.19Å; L1937-C1939 VanDerWaalsContact C-N 3.31Å; C1939-Y1942 VanDerWaalsContact O-CD1 3.26Å; C1939-Y1942 WeakPolarHBondContact O-CD1 3.31Å; C1939-A1963 PolarHBondContact SG-O 3.17Å; C1939-A1963 VanDerWaalsContact SG-O 3.34Å; C1939-Y1964 VanDerWaalsContact SG-C 3.55Å; C1939-Y1964 WeakPolarHBondContact SG-CA 3.38Å; C1939-Y1964 PolarHBondContact SG-N 3.31Å; C1939-Y1964 VanDerWaalsContact SG-N 3.36Å; C1939-R2104 PolarHBondContact O-NH1 2.96Å; C1939-Y2105 HydrophobicContact CB-CE1 4.42Å |
| 1940 | D | 90 | Very high | 90.8 | Very high | 9 Ų | 9 | 23.5 Ų | 23.5 | 5% | 0.048 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -76.8 | -32.8 | -172.5 | -75.3 | -5.4 | 0 | 0 | 0 | 112.1 | E1936 L1937 R1991 I1993 | E1936-D1940 WeakPolarHBondContact O-CB 3.4Å; E1936-D1940 VanDerWaalsContact O-CG 3.32Å; E1936-D1940 PolarHBondContact O-N 2.71Å; L1937-D1940 PolarHBondContact O-N 2.98Å; D1940-R1991 WeakPolarHBondContact OD1-CD 3.23Å; D1940-R1991 IonicContact OD2-NE 3.47Å; D1940-R1991 IonicContact OD2-NH1 2.76Å; D1940-I1993 HydrophobicContact CB-CD1 3.66Å; D1940-I1993 HydrophobicContact CB-CG1 4.07Å |
| 1941 | Y | 92.1 | Very high | 90.5 | Very high | 13 Ų | 13 | 24.8 Ų | 24.8 | 5% | 0.051 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -106.4 | 5.8 | -176 | -70.2 | -91.2 | 0 | 0 | 0 | 114.6 | F1889 H1890 A1893 L1937 F1943 A1944 F1945 I1993 | F1889-Y1941 HydrophobicContact CB-CE2 3.92Å; H1890-Y1941 WeakPolarHBondContact CA-OH 3.37Å; H1890-Y1941 VanDerWaalsContact CB-OH 3.28Å; H1890-Y1941 WeakPolarHBondContact CB-OH 3.19Å; H1890-Y1941 PolarHBondContact N-OH 3.11Å; A1893-Y1941 HydrophobicContact CB-CD1 3.53Å; A1893-Y1941 HydrophobicContact CB-CD2 3.97Å; A1893-Y1941 HydrophobicContact CB-CE1 3.76Å; A1893-Y1941 HydrophobicContact CB-CE2 4.19Å; A1893-Y1941 HydrophobicContact CB-CG 3.64Å; L1937-Y1941 HydrophobicContact CD1-CD2 3.96Å; L1937-Y1941 HydrophobicContact CD1-CE2 4.24Å; L1937-Y1941 WeakPolarHBondContact O-CD2 3.38Å; L1937-Y1941 PolarHBondContact O-N 2.92Å; L1937-Y1941 VanDerWaalsContact O-N 3.12Å; Y1941-F1943 PolarHBondContact O-N 3.31Å; Y1941-F1943 VanDerWaalsContact O-N 3.08Å; Y1941-A1944 PolarHBondContact O-N 3.36Å; Y1941-A1944 VanDerWaalsContact O-N 3.14Å; Y1941-F1945 VanDerWaalsContact O-CD2 3.3Å; Y1941-F1945 WeakPolarHBondContact O-CD2 3.47Å; Y1941-F1945 PolarHBondContact O-N 3.33Å; Y1941-F1945 VanDerWaalsContact O-N 3.14Å; Y1941-I1993 HydrophobicContact CE1-CG2 4.46Å; Y1941-I1993 HydrophobicContact CE2-CD1 3.9Å |
| 1942 | Y | 94.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -51.3 | -38.7 | -177 | 83.9 | -70.1 | 0 | 0 | 0 | 113.5 | L1938 C1939 F1945 C1946 L1992 N2101 Q2102 R2104 | L1938-Y1942 WeakPolarHBondContact O-CA 3.39Å; L1938-Y1942 VanDerWaalsContact O-CB 3.28Å; L1938-Y1942 WeakPolarHBondContact O-CB 3.46Å; L1938-Y1942 PolarHBondContact O-N 3.38Å; C1939-Y1942 VanDerWaalsContact O-CD1 3.26Å; C1939-Y1942 WeakPolarHBondContact O-CD1 3.31Å; Y1942-F1945 PolarHBondContact O-N 3.32Å; Y1942-C1946 WeakPolarHBondContact O-CB 3.42Å; Y1942-C1946 PolarHBondContact O-N 3.23Å; Y1942-C1946 PolarHBondContact O-SG 3.34Å; Y1942-L1992 HydrophobicContact CE1-CD2 3.61Å; Y1942-N2101 WeakPolarHBondContact CE2-O 3.19Å; Y1942-Q2102 PolarHBondContact OH-OE1 3.24Å; Y1942-R2104 VanDerWaalsContact CZ-CZ 3.46Å |
| 1943 | F | 92.7 | Very high | 90.3 | Very high | 10 Ų | 10 | 19.4 Ų | 19.4 | 4% | 0.044 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.1 | -49.9 | -176.8 | -173.4 | -87.3 | 0 | 0 | 0 | 110.3 | Y1941 F1945 C1946 D1947 V1994 F1996 N2045 I2049 | Y1941-F1943 PolarHBondContact O-N 3.31Å; Y1941-F1943 VanDerWaalsContact O-N 3.08Å; F1943-F1945 VanDerWaalsContact C-N 3.34Å; F1943-F1945 PolarHBondContact O-N 3.22Å; F1943-C1946 PolarHBondContact O-N 3.49Å; F1943-D1947 VanDerWaalsContact CE1-OD2 3.31Å; F1943-D1947 WeakPolarHBondContact CE1-OD2 3.45Å; F1943-D1947 PolarHBondContact O-N 3.41Å; F1943-V1994 HydrophobicContact CD1-CG1 4.17Å; F1943-F1996 HydrophobicContact CE1-CB 4.3Å; F1943-F1996 HydrophobicContact CZ-CB 4.32Å; F1943-N2045 HydrophobicContact CE2-CB 4.11Å; F1943-N2045 HydrophobicContact CZ-CB 3.9Å; F1943-I2049 HydrophobicContact CD2-CG2 4.36Å; F1943-I2049 HydrophobicContact CE2-CB 3.98Å; F1943-I2049 HydrophobicContact CE2-CG1 4.48Å; F1943-I2049 HydrophobicContact CE2-CG2 3.54Å; F1943-I2049 HydrophobicContact CZ-CG2 3.93Å |
| 1944 | A | 90.6 | Very high | 90.4 | Very high | 13 Ų | 13 | 17.4 Ų | 17.4 | 11% | 0.107 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.2 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1897 Y1941 D1947 F1948 V1994 | L1897-A1944 HydrophobicContact CD1-CB 4.22Å; L1897-A1944 HydrophobicContact CD2-CB 4.3Å; Y1941-A1944 PolarHBondContact O-N 3.36Å; Y1941-A1944 VanDerWaalsContact O-N 3.14Å; A1944-D1947 PolarHBondContact O-N 3.49Å; A1944-F1948 VanDerWaalsContact O-CD2 3.27Å; A1944-F1948 WeakPolarHBondContact O-CD2 3.35Å; A1944-V1994 HydrophobicContact CB-CG2 4.07Å |
| 1945 | F | 93 | Very high | 90.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.8 | -44 | 177.5 | -64.7 | -52.5 | 0 | 0 | 0 | 112.5 | A1893 L1896 L1897 L1938 Y1941 Y1942 F1943 D1947 F1948 I1949 I1960 | A1893-F1945 HydrophobicContact CB-CZ 4.28Å; L1896-F1945 HydrophobicContact CB-CE1 3.57Å; L1896-F1945 HydrophobicContact CB-CZ 3.85Å; L1896-F1945 HydrophobicContact CD1-CE1 4.34Å; L1896-F1945 HydrophobicContact CD1-CZ 3.79Å; L1897-F1945 HydrophobicContact CD2-CD1 3.68Å; L1897-F1945 HydrophobicContact CD2-CE1 4.01Å; L1897-F1945 HydrophobicContact CG-CD1 4.09Å; L1897-F1945 HydrophobicContact CG-CE1 3.87Å; L1938-F1945 HydrophobicContact CD2-CE2 4.13Å; Y1941-F1945 VanDerWaalsContact O-CD2 3.3Å; Y1941-F1945 WeakPolarHBondContact O-CD2 3.47Å; Y1941-F1945 PolarHBondContact O-N 3.33Å; Y1941-F1945 VanDerWaalsContact O-N 3.14Å; Y1942-F1945 PolarHBondContact O-N 3.32Å; F1943-F1945 VanDerWaalsContact C-N 3.34Å; F1943-F1945 PolarHBondContact O-N 3.22Å; F1945-D1947 VanDerWaalsContact C-N 3.26Å; F1945-D1947 PolarHBondContact O-N 3.32Å; F1945-F1948 PolarHBondContact O-N 3.11Å; F1945-I1949 HydrophobicContact CB-CD1 4.18Å; F1945-I1949 WeakPolarHBondContact O-CB 3.22Å; F1945-I1949 VanDerWaalsContact O-CG1 3.26Å; F1945-I1949 WeakPolarHBondContact O-CG1 3.37Å; F1945-I1949 PolarHBondContact O-N 3.01Å; F1945-I1960 HydrophobicContact CB-CD1 3.74Å; F1945-I1960 HydrophobicContact CB-CG2 4.41Å; F1945-I1960 HydrophobicContact CD2-CD1 4.48Å; F1945-I1960 HydrophobicContact CD2-CG2 4.31Å; F1945-I1960 HydrophobicContact CG-CD1 4.26Å |
| 1946 | C | 91 | Very high | 90.3 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.014 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67 | -25.9 | -179.2 | -69.1 | 0 | 0 | 0 | 0 | 113.2 | Y1942 F1943 I1949 R1957 | Y1942-C1946 WeakPolarHBondContact O-CB 3.42Å; Y1942-C1946 PolarHBondContact O-N 3.23Å; Y1942-C1946 PolarHBondContact O-SG 3.34Å; F1943-C1946 PolarHBondContact O-N 3.49Å; C1946-I1949 VanDerWaalsContact O-O 3.14Å; C1946-R1957 PolarHBondContact O-NH2 3.15Å |
| 1947 | D | 88.3 | Confident | 90.4 | Very high | 29 Ų | 29 | 16.9 Ų | 16.9 | 16% | 0.155 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.8 | -37.1 | 173.4 | -82.5 | -6.2 | 0 | 0 | 0 | 112.4 | F1943 A1944 F1945 N2045 | F1943-D1947 VanDerWaalsContact CE1-OD2 3.31Å; F1943-D1947 WeakPolarHBondContact CE1-OD2 3.45Å; F1943-D1947 PolarHBondContact O-N 3.41Å; A1944-D1947 PolarHBondContact O-N 3.49Å; F1945-D1947 VanDerWaalsContact C-N 3.26Å; F1945-D1947 PolarHBondContact O-N 3.32Å; D1947-N2045 WeakPolarHBondContact OD1-CB 3.17Å; D1947-N2045 PolarHBondContact OD1-ND2 3.05Å |
| 1948 | F | 86.3 | Confident | 90.4 | Very high | 73 Ų | 73 | 16.9 Ų | 16.9 | 32% | 0.32 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -93.3 | -27 | -179.4 | -68.3 | -74.9 | 0 | 0 | 0 | 113.7 | L1897 V1900 K1901 A1944 F1945 P1950 | L1897-F1948 HydrophobicContact CD2-CD2 3.67Å; L1897-F1948 HydrophobicContact CD2-CE2 4.21Å; V1900-F1948 HydrophobicContact CG1-CB 3.48Å; V1900-F1948 VanDerWaalsContact CG1-CB 3.48Å; K1901-F1948 HydrophobicContact CD-CE1 4.3Å; K1901-F1948 HydrophobicContact CG-CD1 3.73Å; K1901-F1948 HydrophobicContact CG-CE1 3.95Å; K1901-F1948 HydrophobicContact CG-CG 4.12Å; A1944-F1948 VanDerWaalsContact O-CD2 3.27Å; A1944-F1948 WeakPolarHBondContact O-CD2 3.35Å; F1945-F1948 PolarHBondContact O-N 3.11Å; F1948-P1950 WeakPolarHBondContact O-CD 3.19Å |
| 1949 | I | 91.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -77.2 | 118.2 | 175.2 | -66.2 | 167.9 | 0 | 0 | 0 | 109 | V1900 F1945 C1946 C1953 L1956 R1957 I1960 | V1900-I1949 HydrophobicContact CG1-CG1 3.63Å; V1900-I1949 HydrophobicContact CG2-CG1 4.36Å; F1945-I1949 HydrophobicContact CB-CD1 4.18Å; F1945-I1949 WeakPolarHBondContact O-CB 3.22Å; F1945-I1949 VanDerWaalsContact O-CG1 3.26Å; F1945-I1949 WeakPolarHBondContact O-CG1 3.37Å; F1945-I1949 PolarHBondContact O-N 3.01Å; C1946-I1949 VanDerWaalsContact O-O 3.14Å; I1949-C1953 HydrophobicContact CG2-CB 3.64Å; I1949-L1956 HydrophobicContact CD1-CB 4.3Å; I1949-L1956 HydrophobicContact CG2-CB 3.96Å; I1949-L1956 HydrophobicContact CG2-CD1 4.26Å; I1949-R1957 HydrophobicContact CB-CG 4.34Å; I1949-R1957 HydrophobicContact CG2-CG 3.69Å; I1949-R1957 VanDerWaalsContact O-CZ 3.28Å; I1949-R1957 PolarHBondContact O-NE 3.29Å; I1949-R1957 PolarHBondContact O-NH2 3.08Å; I1949-I1960 HydrophobicContact CD1-CD1 3.21Å |
| 1950 | P | 87.2 | Confident | 90.6 | Very high | 10 Ų | 10 | 17.2 Ų | 17.2 | 7% | 0.065 | 9% | 0.09 | C | C | . | . | trans | -57.2 | 152 | 179.5 | -29 | 40.8 | 0 | 0 | 0 | 113.9 | L1907 R1908 F1948 N1952 C1953 R1957 | L1907-P1950 HydrophobicContact CB-CG 3.78Å; R1908-P1950 HydrophobicContact CB-CG 4.41Å; R1908-P1950 HydrophobicContact CG-CB 3.8Å; R1908-P1950 HydrophobicContact CG-CG 3.38Å; F1948-P1950 WeakPolarHBondContact O-CD 3.19Å; P1950-N1952 VanDerWaalsContact C-N 3.26Å; P1950-N1952 WeakPolarHBondContact CB-OD1 3.27Å; P1950-N1952 PolarHBondContact O-N 3.27Å; P1950-C1953 WeakPolarHBondContact O-CB 3.44Å; P1950-C1953 PolarHBondContact O-N 3.21Å; P1950-R1957 PolarHBondContact O-NE 3.21Å | ||
| 1951 | T | 87.3 | Confident | 90.9 | Very high | 27 Ų | 27 | 16.9 Ų | 16.9 | 17% | 0.166 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -30.6 | -178.4 | 39.7 | 0 | 0 | 0 | 0 | 113.5 | C1953 R1957 L2094 N2097 | T1951-C1953 PolarHBondContact O-N 3.25Å; T1951-R1957 VanDerWaalsContact CG2-NH1 3.28Å; T1951-L2094 HydrophobicContact CG2-CD2 4.06Å; T1951-N2097 HydrophobicContact CG2-CB 4.1Å |
| 1952 | N | 85.3 | Confident | 91 | Very high | 63 Ų | 63 | 17 Ų | 17 | 34% | 0.337 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -15.3 | 175.2 | 60.3 | -54.3 | 0 | 0 | 0 | 113.1 | L1907 L1910 P1950 V1954 | L1907-N1952 PolarHBondContact O-ND2 3.15Å; L1910-N1952 VanDerWaalsContact CD2-ND2 3.29Å; L1910-N1952 WeakPolarHBondContact CD2-ND2 3.47Å; P1950-N1952 VanDerWaalsContact C-N 3.26Å; P1950-N1952 WeakPolarHBondContact CB-OD1 3.27Å; P1950-N1952 PolarHBondContact O-N 3.27Å; N1952-V1954 PolarHBondContact O-N 3.34Å |
| 1953 | C | 88.8 | Confident | 91 | Very high | 10 Ų | 10 | 17 Ų | 17 | 7% | 0.068 | 9% | 0.091 | C | C | . | . | trans | -86 | 60.2 | 174.6 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | I1949 P1950 T1951 Q1955 L1956 R1957 | I1949-C1953 HydrophobicContact CG2-CB 3.64Å; P1950-C1953 WeakPolarHBondContact O-CB 3.44Å; P1950-C1953 PolarHBondContact O-N 3.21Å; T1951-C1953 PolarHBondContact O-N 3.25Å; C1953-Q1955 PolarHBondContact O-N 3.04Å; C1953-L1956 HydrophobicContact CB-CB 4.34Å; C1953-L1956 HydrophobicContact CB-CD1 4.19Å; C1953-L1956 PolarHBondContact O-N 3.29Å; C1953-R1957 PolarHBondContact O-N 3.21Å | ||
| 1954 | V | 89.9 | Confident | 91 | Very high | 25 Ų | 25 | 21.1 Ų | 21.1 | 15% | 0.152 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -54.7 | -47 | -173 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | N1952 L1956 R1957 N1958 E2139 R2140 | N1952-V1954 PolarHBondContact O-N 3.34Å; V1954-L1956 PolarHBondContact O-N 2.91Å; V1954-R1957 PolarHBondContact O-N 3.49Å; V1954-N1958 WeakPolarHBondContact O-CB 3.28Å; V1954-N1958 PolarHBondContact O-N 3.18Å; V1954-E2139 VanDerWaalsContact CG1-O 3.27Å; V1954-E2139 WeakPolarHBondContact CG1-O 3.15Å; V1954-R2140 HydrophobicContact CG1-CB 4.49Å; V1954-R2140 HydrophobicContact CG1-CG 4.34Å |
| 1955 | Q | 88.2 | Confident | 90.9 | Very high | 62 Ų | 62 | 21.7 Ų | 21.7 | 29% | 0.29 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -62.3 | -45.2 | -178 | -172.6 | -174.7 | 23.3 | 0 | 0 | 112.6 | C1953 R1957 N1958 L1959 | C1953-Q1955 PolarHBondContact O-N 3.04Å; Q1955-R1957 VanDerWaalsContact C-N 3.33Å; Q1955-R1957 PolarHBondContact O-N 3.31Å; Q1955-N1958 PolarHBondContact O-N 3.31Å; Q1955-L1959 HydrophobicContact CG-CD1 4.38Å; Q1955-L1959 WeakPolarHBondContact O-CG 3.48Å; Q1955-L1959 PolarHBondContact O-N 3.09Å |
| 1956 | L | 91.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61 | -44 | 178.3 | -74.6 | -179 | 0 | 0 | 0 | 111.3 | L1907 Y1920 F1923 L1924 L1927 I1949 C1953 V1954 L1959 I1960 | L1907-L1956 HydrophobicContact CD1-CD1 4.1Å; Y1920-L1956 HydrophobicContact CD2-CD1 4.26Å; Y1920-L1956 HydrophobicContact CE2-CD1 3.57Å; Y1920-L1956 HydrophobicContact CE2-CD2 4.15Å; Y1920-L1956 HydrophobicContact CE2-CG 3.82Å; F1923-L1956 HydrophobicContact CD1-CD2 4.06Å; F1923-L1956 HydrophobicContact CE1-CD1 4.48Å; F1923-L1956 HydrophobicContact CE1-CD2 4.17Å; L1924-L1956 HydrophobicContact CD2-CD2 3.41Å; L1924-L1956 VanDerWaalsContact CD2-CD2 3.41Å; L1924-L1956 HydrophobicContact CD2-CG 4.41Å; L1924-L1956 HydrophobicContact CG-CD2 4.01Å; L1927-L1956 HydrophobicContact CD1-CD2 3.7Å; I1949-L1956 HydrophobicContact CD1-CB 4.3Å; I1949-L1956 HydrophobicContact CG2-CB 3.96Å; I1949-L1956 HydrophobicContact CG2-CD1 4.26Å; C1953-L1956 HydrophobicContact CB-CB 4.34Å; C1953-L1956 HydrophobicContact CB-CD1 4.19Å; C1953-L1956 PolarHBondContact O-N 3.29Å; V1954-L1956 PolarHBondContact O-N 2.91Å; L1956-L1959 PolarHBondContact O-N 3.01Å; L1956-I1960 WeakPolarHBondContact O-CD1 3.26Å; L1956-I1960 WeakPolarHBondContact O-CG1 3.37Å; L1956-I1960 PolarHBondContact O-N 3.13Å |
| 1957 | R | 93.8 | Very high | 90 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 2% | 0.019 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.2 | -43.1 | 176.7 | -68 | -174.1 | 168.6 | -154.3 | -4.5 | 111.3 | C1946 I1949 P1950 T1951 C1953 V1954 Q1955 L1959 I1960 I1961 N2101 R2140 | C1946-R1957 PolarHBondContact O-NH2 3.15Å; I1949-R1957 HydrophobicContact CB-CG 4.34Å; I1949-R1957 HydrophobicContact CG2-CG 3.69Å; I1949-R1957 VanDerWaalsContact O-CZ 3.28Å; I1949-R1957 PolarHBondContact O-NE 3.29Å; I1949-R1957 PolarHBondContact O-NH2 3.08Å; P1950-R1957 PolarHBondContact O-NE 3.21Å; T1951-R1957 VanDerWaalsContact CG2-NH1 3.28Å; C1953-R1957 PolarHBondContact O-N 3.21Å; V1954-R1957 PolarHBondContact O-N 3.49Å; Q1955-R1957 VanDerWaalsContact C-N 3.33Å; Q1955-R1957 PolarHBondContact O-N 3.31Å; R1957-L1959 PolarHBondContact O-N 2.75Å; R1957-I1960 PolarHBondContact O-N 2.67Å; R1957-I1961 HydrophobicContact CB-CD1 4.13Å; R1957-I1961 VanDerWaalsContact O-CB 3.32Å; R1957-I1961 WeakPolarHBondContact O-CB 3.4Å; R1957-I1961 WeakPolarHBondContact O-CD1 3.45Å; R1957-I1961 WeakPolarHBondContact O-CG1 3.38Å; R1957-I1961 PolarHBondContact O-N 3.36Å; R1957-N2101 PolarHBondContact NH1-ND2 3.11Å; R1957-R2140 VanDerWaalsContact CB-NH1 3.32Å |
| 1958 | N | 93.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.7 | -38.6 | 179.3 | -78.2 | -3.5 | 0 | 0 | 0 | 112.8 | V1954 Q1955 I1960 I1961 S1962 R2140 S2143 | V1954-N1958 WeakPolarHBondContact O-CB 3.28Å; V1954-N1958 PolarHBondContact O-N 3.18Å; Q1955-N1958 PolarHBondContact O-N 3.31Å; N1958-I1960 VanDerWaalsContact C-N 3.33Å; N1958-I1960 PolarHBondContact O-N 2.64Å; N1958-I1961 PolarHBondContact O-N 2.9Å; N1958-S1962 WeakPolarHBondContact O-CB 3.44Å; N1958-S1962 PolarHBondContact O-N 3.44Å; N1958-S1962 PolarHBondContact O-OG 3.37Å; N1958-R2140 PolarHBondContact ND2-O 3.45Å; N1958-R2140 WeakPolarHBondContact OD1-CD 3.37Å; N1958-S2143 PolarHBondContact ND2-OG 3.11Å |
| 1959 | L | 94 | Very high | 89.3 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.2 | -46.2 | 172.9 | -79 | 165.3 | 0 | 0 | 0 | 111.8 | L1924 L1928 L1931 Q1955 L1956 R1957 P2146 | L1924-L1959 HydrophobicContact CD2-CD1 3.48Å; L1924-L1959 VanDerWaalsContact CD2-CD1 3.48Å; L1928-L1959 HydrophobicContact CD2-CD2 3.61Å; L1928-L1959 HydrophobicContact CG-CD2 4.44Å; L1931-L1959 HydrophobicContact CD2-CD2 3.99Å; Q1955-L1959 HydrophobicContact CG-CD1 4.38Å; Q1955-L1959 WeakPolarHBondContact O-CG 3.48Å; Q1955-L1959 PolarHBondContact O-N 3.09Å; L1956-L1959 PolarHBondContact O-N 3.01Å; R1957-L1959 PolarHBondContact O-N 2.75Å; L1959-P2146 VanDerWaalsContact CD2-CD 3.46Å; L1959-P2146 HydrophobicContact CD2-CG 3.81Å |
| 1960 | I | 94.7 | Very high | 89 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70 | -46.5 | -179.3 | -68.5 | 161 | 0 | 0 | 0 | 111.6 | L1927 F1945 I1949 L1956 R1957 N1958 S1962 A1963 | L1927-I1960 HydrophobicContact CD1-CD1 4.44Å; L1927-I1960 HydrophobicContact CD1-CG1 4.47Å; L1927-I1960 HydrophobicContact CD2-CG1 4.32Å; F1945-I1960 HydrophobicContact CB-CD1 3.74Å; F1945-I1960 HydrophobicContact CB-CG2 4.41Å; F1945-I1960 HydrophobicContact CD2-CD1 4.48Å; F1945-I1960 HydrophobicContact CD2-CG2 4.31Å; F1945-I1960 HydrophobicContact CG-CD1 4.26Å; I1949-I1960 HydrophobicContact CD1-CD1 3.21Å; L1956-I1960 WeakPolarHBondContact O-CD1 3.26Å; L1956-I1960 WeakPolarHBondContact O-CG1 3.37Å; L1956-I1960 PolarHBondContact O-N 3.13Å; R1957-I1960 PolarHBondContact O-N 2.67Å; N1958-I1960 VanDerWaalsContact C-N 3.33Å; N1958-I1960 PolarHBondContact O-N 2.64Å; I1960-S1962 VanDerWaalsContact C-N 3.27Å; I1960-S1962 PolarHBondContact O-N 3.12Å; I1960-A1963 WeakPolarHBondContact O-CB 3.36Å; I1960-A1963 PolarHBondContact O-N 2.98Å |
| 1961 | I | 94.9 | Very high | 88.9 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.7 | -22.7 | -176 | -64.7 | 166 | 0 | 0 | 0 | 111.2 | R1957 N1958 A1963 N2101 R2104 R2140 P2148 | R1957-I1961 HydrophobicContact CB-CD1 4.13Å; R1957-I1961 VanDerWaalsContact O-CB 3.32Å; R1957-I1961 WeakPolarHBondContact O-CB 3.4Å; R1957-I1961 WeakPolarHBondContact O-CD1 3.45Å; R1957-I1961 WeakPolarHBondContact O-CG1 3.38Å; R1957-I1961 PolarHBondContact O-N 3.36Å; N1958-I1961 PolarHBondContact O-N 2.9Å; I1961-A1963 VanDerWaalsContact C-N 3.28Å; I1961-A1963 PolarHBondContact O-N 3.03Å; I1961-N2101 HydrophobicContact CD1-CB 4.28Å; I1961-N2101 WeakPolarHBondContact CD1-OD1 3.32Å; I1961-R2104 HydrophobicContact CB-CG 4.49Å; I1961-R2104 HydrophobicContact CG2-CB 4.46Å; I1961-R2104 HydrophobicContact CG2-CG 3.65Å; I1961-R2140 VanDerWaalsContact CD1-NH1 3.33Å; I1961-P2148 HydrophobicContact CB-CG 3.92Å; I1961-P2148 HydrophobicContact CG2-CB 3.68Å; I1961-P2148 HydrophobicContact CG2-CG 3.47Å; I1961-P2148 VanDerWaalsContact CG2-CG 3.47Å |
| 1962 | S | 94.9 | Very high | 88.6 | Confident | 16 Ų | 16 | 49 Ų | 49 | 11% | 0.112 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -9.7 | 174.6 | -59.6 | 0 | 0 | 0 | 0 | 113.8 | N1958 I1960 Y1964 | N1958-S1962 WeakPolarHBondContact O-CB 3.44Å; N1958-S1962 PolarHBondContact O-N 3.44Å; N1958-S1962 PolarHBondContact O-OG 3.37Å; I1960-S1962 VanDerWaalsContact C-N 3.27Å; I1960-S1962 PolarHBondContact O-N 3.12Å; S1962-Y1964 WeakPolarHBondContact O-CD1 3.3Å |
| 1963 | A | 94.1 | Very high | 88.5 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | trans | -65.5 | 141 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | L1931 P1935 L1938 C1939 I1960 I1961 Y2105 | L1931-A1963 HydrophobicContact CD1-CB 3.65Å; P1935-A1963 HydrophobicContact CB-CB 4.38Å; L1938-A1963 HydrophobicContact CB-CB 3.59Å; L1938-A1963 HydrophobicContact CD1-CB 4.36Å; C1939-A1963 PolarHBondContact SG-O 3.17Å; C1939-A1963 VanDerWaalsContact SG-O 3.34Å; I1960-A1963 WeakPolarHBondContact O-CB 3.36Å; I1960-A1963 PolarHBondContact O-N 2.98Å; I1961-A1963 VanDerWaalsContact C-N 3.28Å; I1961-A1963 PolarHBondContact O-N 3.03Å; A1963-Y2105 WeakPolarHBondContact O-CD1 3.48Å | ||
| 1964 | Y | 92.6 | Very high | 88.1 | Confident | 96 Ų | 96 | 52.4 Ų | 52.4 | 38% | 0.376 | 25% | 0.248 | S | C | . | . | trans | -142.8 | 150.1 | 175.1 | 58.4 | -84.6 | 0 | 0 | 0 | 111 | P1935 C1939 S1962 L1970 | P1935-Y1964 WeakPolarHBondContact CB-O 3.47Å; C1939-Y1964 VanDerWaalsContact SG-C 3.55Å; C1939-Y1964 WeakPolarHBondContact SG-CA 3.38Å; C1939-Y1964 PolarHBondContact SG-N 3.31Å; C1939-Y1964 VanDerWaalsContact SG-N 3.36Å; S1962-Y1964 WeakPolarHBondContact O-CD1 3.3Å; Y1964-L1970 HydrophobicContact CD1-CD1 3.75Å; Y1964-L1970 HydrophobicContact CD1-CD2 4.43Å; Y1964-L1970 HydrophobicContact CD1-CG 4.29Å; Y1964-L1970 HydrophobicContact CD2-CD1 4.39Å; Y1964-L1970 HydrophobicContact CD2-CD2 4.36Å; Y1964-L1970 HydrophobicContact CD2-CG 4.13Å; Y1964-L1970 HydrophobicContact CE1-CD1 3.47Å; Y1964-L1970 VanDerWaalsContact CE1-CD1 3.47Å; Y1964-L1970 HydrophobicContact CE1-CG 4.23Å; Y1964-L1970 HydrophobicContact CE2-CD1 4.13Å; Y1964-L1970 HydrophobicContact CE2-CG 4.04Å; Y1964-L1970 HydrophobicContact CG-CD1 4.22Å; Y1964-L1970 HydrophobicContact CG-CD2 4.19Å; Y1964-L1970 HydrophobicContact CG-CG 4.25Å | ||
| 1965 | P | 89.4 | Confident | 87.6 | Confident | 24 Ų | 24 | 53.7 Ų | 53.7 | 16% | 0.156 | 25% | 0.254 | C | S | . | . | trans | -59.1 | 138.8 | 177.2 | -22.3 | 32.2 | 0 | 0 | 0 | 111.8 | T1967 I1968 Y2105 | P1965-T1967 PolarHBondContact O-N 2.59Å; P1965-I1968 HydrophobicContact CB-CD1 4.5Å; P1965-I1968 HydrophobicContact CB-CG1 4.47Å; P1965-I1968 HydrophobicContact CG-CD1 4.15Å; P1965-I1968 PolarHBondContact O-N 3.27Å; P1965-Y2105 HydrophobicContact CG-CE2 4.23Å | ||
| 1966 | R | 83.1 | Confident | 87.1 | Confident | 146 Ų | 146 | 53.7 Ų | 53.7 | 55% | 0.551 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -18.5 | 179.9 | -76.1 | 178.5 | -84.9 | -151.4 | -12.9 | 114.4 | D1933 P1935 E1936 I1968 | D1933-R1966 PolarHBondContact O-NH1 2.89Å; D1933-R1966 PolarHBondContact O-NH2 2.84Å; P1935-R1966 HydrophobicContact CG-CG 3.91Å; E1936-R1966 WeakPolarHBondContact OE1-CB 3.11Å; E1936-R1966 WeakPolarHBondContact OE1-CG 3.5Å; E1936-R1966 IonicContact OE1-CZ 3.38Å; E1936-R1966 PolarHBondContact OE1-N 3.34Å; E1936-R1966 VanDerWaalsContact OE1-N 3.1Å; E1936-R1966 IonicContact OE1-NE 3.07Å; E1936-R1966 PolarHBondContact OE1-NE 2.78Å; E1936-R1966 IonicContact OE1-NH2 2.81Å; E1936-R1966 IonicContact OE2-CZ 3.72Å; E1936-R1966 IonicContact OE2-NE 3.47Å; E1936-R1966 PolarHBondContact OE2-NE 3.18Å; E1936-R1966 IonicContact OE2-NH2 3.49Å; E1936-R1966 PolarHBondContact OE2-NH2 2.97Å; R1966-I1968 VanDerWaalsContact C-N 3.3Å |
| 1967 | T | 80.8 | Confident | 86.4 | Confident | 134 Ų | 134 | 54 Ų | 54 | 82% | 0.822 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -17.3 | 177.1 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | P1965 | P1965-T1967 PolarHBondContact O-N 2.59Š|
| 1968 | I | 81.7 | Confident | 85.6 | Confident | 29 Ų | 29 | 57.2 Ų | 57.2 | 15% | 0.149 | 28% | 0.284 | C | S | . | . | trans | -96.8 | 130.3 | -178 | -60.3 | 179.9 | 0 | 0 | 0 | 109.5 | P1965 R1966 Y2105 | P1965-I1968 HydrophobicContact CB-CD1 4.5Å; P1965-I1968 HydrophobicContact CB-CG1 4.47Å; P1965-I1968 HydrophobicContact CG-CD1 4.15Å; P1965-I1968 PolarHBondContact O-N 3.27Å; R1966-I1968 VanDerWaalsContact C-N 3.3Å; I1968-Y2105 HydrophobicContact CD1-CD2 3.72Å; I1968-Y2105 HydrophobicContact CD1-CE2 3.71Å | ||
| 1969 | R | 78.1 | Confident | 84.9 | Confident | 229 Ų | 229 | 62 Ų | 62 | 86% | 0.864 | 31% | 0.306 | S | S | * | . | trans | -95.1 | 115.3 | 168.1 | -171.8 | 178.6 | -178.7 | -177.5 | 0.6 | 109 | ||||
| 1970 | L | 85.3 | Confident | 84.2 | Confident | 58 Ų | 58 | 61.9 Ų | 61.9 | 30% | 0.304 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -63 | 126.3 | -178.5 | -67 | 177.4 | 0 | 0 | 0 | 111.3 | Y1964 P2106 W2149 | Y1964-L1970 HydrophobicContact CD1-CD1 3.75Å; Y1964-L1970 HydrophobicContact CD1-CD2 4.43Å; Y1964-L1970 HydrophobicContact CD1-CG 4.29Å; Y1964-L1970 HydrophobicContact CD2-CD1 4.39Å; Y1964-L1970 HydrophobicContact CD2-CD2 4.36Å; Y1964-L1970 HydrophobicContact CD2-CG 4.13Å; Y1964-L1970 HydrophobicContact CE1-CD1 3.47Å; Y1964-L1970 VanDerWaalsContact CE1-CD1 3.47Å; Y1964-L1970 HydrophobicContact CE1-CG 4.23Å; Y1964-L1970 HydrophobicContact CE2-CD1 4.13Å; Y1964-L1970 HydrophobicContact CE2-CG 4.04Å; Y1964-L1970 HydrophobicContact CG-CD1 4.22Å; Y1964-L1970 HydrophobicContact CG-CD2 4.19Å; Y1964-L1970 HydrophobicContact CG-CG 4.25Å; L1970-P2106 HydrophobicContact CD2-CG 4.27Å; L1970-W2149 HydrophobicContact CD2-CB 4.29Å; L1970-W2149 HydrophobicContact CD2-CG 4.12Å |
| 1971 | P | 84.5 | Confident | 83.5 | Confident | 32 Ų | 32 | 63.8 Ų | 63.8 | 21% | 0.208 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 169 | 169.5 | 30.5 | -31.3 | 0 | 0 | 0 | 110.6 | P1973 L1980 L1983 P2106 W2149 | P1971-P1973 WeakPolarHBondContact O-CD 3.24Å; P1971-L1980 HydrophobicContact CB-CD2 4.12Å; P1971-L1980 HydrophobicContact CG-CD2 4.05Å; P1971-L1983 HydrophobicContact CB-CD1 4.04Å; P1971-L1983 HydrophobicContact CG-CD1 3.88Å; P1971-P2106 HydrophobicContact CG-CG 3.86Å; P1971-W2149 HydrophobicContact CG-CH2 4.47Å; P1971-W2149 HydrophobicContact CG-CZ2 3.63Å; P1971-W2149 PolarHBondContact O-NE1 3.17Å |
| 1972 | D | 81.7 | Confident | 82.6 | Confident | 87 Ų | 87 | 70.6 Ų | 70.6 | 47% | 0.465 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 121.7 | 173.8 | -174.3 | -16.5 | 0 | 0 | 0 | 109.7 | F1974 L1975 | D1972-F1974 PolarHBondContact O-N 2.96Å; D1972-F1974 WeakPolarHBondContact OD1-CD2 3.44Å; D1972-F1974 PolarHBondContact OD1-N 3.42Å; D1972-L1975 HydrophobicContact CB-CD1 4.14Å; D1972-L1975 HydrophobicContact CB-CG 4.07Å; D1972-L1975 PolarHBondContact O-N 3.43Å |
| 1973 | P | 82.8 | Confident | 81.9 | Confident | 18 Ų | 18 | 72.8 Ų | 72.8 | 12% | 0.117 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -16.8 | -179.6 | 28.3 | -36.1 | 0 | 0 | 0 | 114 | P1971 L1975 W2149 M2152 M2153 | P1971-P1973 WeakPolarHBondContact O-CD 3.24Å; P1973-L1975 VanDerWaalsContact C-N 3.33Å; P1973-W2149 HydrophobicContact CB-CG 4.49Å; P1973-M2152 HydrophobicContact CB-CB 3.94Å; P1973-M2152 HydrophobicContact CB-CE 4.33Å; P1973-M2152 HydrophobicContact CG-CB 4.36Å; P1973-M2152 HydrophobicContact CG-CE 4.01Å; P1973-M2153 HydrophobicContact CB-CB 4.43Å; P1973-M2153 VanDerWaalsContact O-CA 3.28Å; P1973-M2153 WeakPolarHBondContact O-CA 3.49Å |
| 1974 | F | 81.5 | Confident | 81.2 | Confident | 127 Ų | 127 | 78.7 Ų | 78.7 | 56% | 0.557 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 0.8 | -177.8 | -59.8 | -72.4 | 0 | 0 | 0 | 114 | D1972 A2156 | D1972-F1974 PolarHBondContact O-N 2.96Å; D1972-F1974 WeakPolarHBondContact OD1-CD2 3.44Å; D1972-F1974 PolarHBondContact OD1-N 3.42Å; F1974-A2156 HydrophobicContact CD1-CB 3.78Å; F1974-A2156 HydrophobicContact CE1-CB 4.26Å |
| 1975 | L | 79.4 | Confident | 80.7 | Confident | 52 Ų | 52 | 77.5 Ų | 77.5 | 27% | 0.272 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -65.9 | 141.6 | 172.5 | -68.2 | 170.4 | 0 | 0 | 0 | 110.4 | D1972 P1973 I1977 L1980 | D1972-L1975 HydrophobicContact CB-CD1 4.14Å; D1972-L1975 HydrophobicContact CB-CG 4.07Å; D1972-L1975 PolarHBondContact O-N 3.43Å; P1973-L1975 VanDerWaalsContact C-N 3.33Å; L1975-I1977 PolarHBondContact O-N 3.46Å; L1975-L1980 HydrophobicContact CB-CD1 4.18Å; L1975-L1980 HydrophobicContact CB-CD2 4.05Å; L1975-L1980 HydrophobicContact CB-CG 3.92Å; L1975-L1980 HydrophobicContact CD1-CD2 4.09Å; L1975-L1980 VanDerWaalsContact O-CD1 3.28Å; L1975-L1980 WeakPolarHBondContact O-CD1 3.21Å |
| 1976 | P | 76.8 | Confident | 80.5 | Confident | 62 Ų | 62 | 76.3 Ų | 76.3 | 40% | 0.403 | 38% | 0.378 | S | S | . | . | trans | -54.6 | 140.3 | 174.9 | -24.1 | 33.1 | 0 | 0 | 0 | 111.6 | S1978 E1979 L1980 | P1976-S1978 PolarHBondContact O-N 3.39Å; P1976-S1978 VanDerWaalsContact O-N 3.08Å; P1976-E1979 PolarHBondContact O-N 3.5Å; P1976-L1980 PolarHBondContact O-N 3.47Å | ||
| 1977 | I | 78.1 | Confident | 80.5 | Confident | 8 Ų | 8 | 71.5 Ų | 71.5 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -55.6 | -35.7 | -176.6 | -68.6 | -173.3 | 0 | 0 | 0 | 112 | L1975 E1979 L1980 E1981 L2111 L2118 M2153 E2157 | L1975-I1977 PolarHBondContact O-N 3.46Å; I1977-E1979 PolarHBondContact O-N 2.97Å; I1977-L1980 PolarHBondContact O-N 3.47Å; I1977-L1980 VanDerWaalsContact O-N 3.09Å; I1977-E1981 HydrophobicContact CG2-CG 3.97Å; I1977-E1981 WeakPolarHBondContact O-CB 3.24Å; I1977-E1981 WeakPolarHBondContact O-CG 3.36Å; I1977-E1981 PolarHBondContact O-N 3.29Å; I1977-L2111 HydrophobicContact CG2-CD1 4.09Å; I1977-L2118 HydrophobicContact CD1-CD1 3.47Å; I1977-L2118 VanDerWaalsContact CD1-CD1 3.47Å; I1977-M2153 HydrophobicContact CD1-SD 3.4Å; I1977-M2153 WeakPolarHBondContact CD1-SD 3.48Å; I1977-M2153 HydrophobicContact CG1-CG 4.24Å; I1977-M2153 HydrophobicContact CG1-SD 3.51Å; I1977-M2153 VanDerWaalsContact CG1-SD 3.51Å; I1977-E2157 HydrophobicContact CB-CG 4.44Å; I1977-E2157 HydrophobicContact CD1-CB 3.63Å; I1977-E2157 HydrophobicContact CD1-CG 3.52Å; I1977-E2157 HydrophobicContact CG1-CB 3.84Å; I1977-E2157 HydrophobicContact CG1-CG 3.77Å; I1977-E2157 WeakPolarHBondContact CG1-OE2 3.27Å; I1977-E2157 PolarHBondContact N-OE2 3.42Å |
| 1978 | S | 76.6 | Confident | 80.8 | Confident | 71 Ų | 71 | 69.2 Ų | 69.2 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.5 | -24.2 | 177.5 | 67.8 | 0 | 0 | 0 | 0 | 114.9 | P1976 K1982 | P1976-S1978 PolarHBondContact O-N 3.39Å; P1976-S1978 VanDerWaalsContact O-N 3.08Å; S1978-K1982 WeakPolarHBondContact O-CE 3.5Å |
| 1979 | E | 78.1 | Confident | 81 | Confident | 102 Ų | 102 | 71.5 Ų | 71.5 | 48% | 0.477 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -84.9 | -40.9 | 172.5 | -63 | -159.4 | 154.3 | 0 | 0 | 111.4 | P1976 I1977 E1981 K1982 | P1976-E1979 PolarHBondContact O-N 3.5Å; I1977-E1979 PolarHBondContact O-N 2.97Å; E1979-E1981 VanDerWaalsContact C-N 3.34Å; E1979-E1981 PolarHBondContact O-N 3.43Å; E1979-K1982 WeakPolarHBondContact O-CB 3.44Å; E1979-K1982 PolarHBondContact O-N 3.26Å; E1979-K1982 VanDerWaalsContact O-N 3.15Å |
| 1980 | L | 78.7 | Confident | 81.5 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.016 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65 | -37.4 | 178.1 | -67.6 | 169.7 | 0 | 0 | 0 | 111.9 | P1971 L1975 P1976 I1977 K1982 L1983 M1986 W2149 M2153 | P1971-L1980 HydrophobicContact CB-CD2 4.12Å; P1971-L1980 HydrophobicContact CG-CD2 4.05Å; L1975-L1980 HydrophobicContact CB-CD1 4.18Å; L1975-L1980 HydrophobicContact CB-CD2 4.05Å; L1975-L1980 HydrophobicContact CB-CG 3.92Å; L1975-L1980 HydrophobicContact CD1-CD2 4.09Å; L1975-L1980 VanDerWaalsContact O-CD1 3.28Å; L1975-L1980 WeakPolarHBondContact O-CD1 3.21Å; P1976-L1980 PolarHBondContact O-N 3.47Å; I1977-L1980 PolarHBondContact O-N 3.47Å; I1977-L1980 VanDerWaalsContact O-N 3.09Å; L1980-K1982 PolarHBondContact O-N 3.08Å; L1980-L1983 HydrophobicContact CD2-CD1 3.78Å; L1980-L1983 VanDerWaalsContact O-CB 3.3Å; L1980-L1983 WeakPolarHBondContact O-CB 3.47Å; L1980-L1983 WeakPolarHBondContact O-CG 3.44Å; L1980-L1983 PolarHBondContact O-N 2.93Å; L1980-M1986 HydrophobicContact CB-CE 4.07Å; L1980-M1986 WeakPolarHBondContact O-CG 3.48Å; L1980-W2149 HydrophobicContact CD1-CH2 3.94Å; L1980-W2149 HydrophobicContact CD1-CZ2 4.03Å; L1980-W2149 HydrophobicContact CD2-CH2 4.26Å; L1980-W2149 HydrophobicContact CD2-CZ2 3.97Å; L1980-M2153 HydrophobicContact CD1-CG 3.56Å |
| 1981 | E | 79.9 | Confident | 81.3 | Confident | 42 Ų | 42 | 63.9 Ų | 63.9 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -26.7 | 173.2 | -84 | 178.2 | -165.5 | 0 | 0 | 112.7 | I1977 E1979 L1983 R2065 L2111 | I1977-E1981 HydrophobicContact CG2-CG 3.97Å; I1977-E1981 WeakPolarHBondContact O-CB 3.24Å; I1977-E1981 WeakPolarHBondContact O-CG 3.36Å; I1977-E1981 PolarHBondContact O-N 3.29Å; E1979-E1981 VanDerWaalsContact C-N 3.34Å; E1979-E1981 PolarHBondContact O-N 3.43Å; E1981-L1983 VanDerWaalsContact C-N 3.34Å; E1981-R2065 PolarHBondContact O-NH1 3.4Å; E1981-L2111 HydrophobicContact CG-CD1 3.73Å; E1981-L2111 HydrophobicContact CG-CD2 4.17Å |
| 1982 | K | 77.1 | Confident | 81.1 | Confident | 144 Ų | 144 | 64.6 Ų | 64.6 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -22.5 | -178.7 | -64.1 | 173.8 | -173.6 | 164.9 | 0 | 112.8 | S1978 E1979 L1980 R2065 | S1978-K1982 WeakPolarHBondContact O-CE 3.5Å; E1979-K1982 WeakPolarHBondContact O-CB 3.44Å; E1979-K1982 PolarHBondContact O-N 3.26Å; E1979-K1982 VanDerWaalsContact O-N 3.15Å; L1980-K1982 PolarHBondContact O-N 3.08Å; K1982-R2065 VanDerWaalsContact CA-NH1 3.29Å; K1982-R2065 PolarHBondContact O-NH1 3.14Å |
| 1983 | L | 79.9 | Confident | 81 | Confident | 63 Ų | 63 | 63 Ų | 63 | 33% | 0.33 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -64.8 | 138.1 | -177.5 | -61.4 | 173.3 | 0 | 0 | 0 | 111.3 | P1971 L1980 E1981 D1985 M1986 N1987 | P1971-L1983 HydrophobicContact CB-CD1 4.04Å; P1971-L1983 HydrophobicContact CG-CD1 3.88Å; L1980-L1983 HydrophobicContact CD2-CD1 3.78Å; L1980-L1983 VanDerWaalsContact O-CB 3.3Å; L1980-L1983 WeakPolarHBondContact O-CB 3.47Å; L1980-L1983 WeakPolarHBondContact O-CG 3.44Å; L1980-L1983 PolarHBondContact O-N 2.93Å; E1981-L1983 VanDerWaalsContact C-N 3.34Å; L1983-D1985 VanDerWaalsContact C-N 3.28Å; L1983-D1985 PolarHBondContact O-N 2.88Å; L1983-M1986 HydrophobicContact CB-CG 4.2Å; L1983-M1986 PolarHBondContact O-N 3.47Å; L1983-N1987 PolarHBondContact O-ND2 3.28Å |
| 1984 | N | 79.3 | Confident | 80.7 | Confident | 126 Ų | 126 | 64.3 Ų | 64.3 | 67% | 0.674 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -61.8 | -38.9 | 179.3 | -71.9 | -18.8 | 0 | 0 | 0 | 111.5 | M1986 N1987 | N1984-M1986 PolarHBondContact O-N 3.46Å; N1984-N1987 PolarHBondContact O-N 3.38Å |
| 1985 | D | 81.7 | Confident | 80.5 | Confident | 70 Ų | 70 | 62.6 Ų | 62.6 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -59.6 | -30.9 | -179.6 | -59.1 | -35.6 | 0 | 0 | 0 | 112.5 | L1983 N1987 V1988 P2106 N2107 | L1983-D1985 VanDerWaalsContact C-N 3.28Å; L1983-D1985 PolarHBondContact O-N 2.88Å; D1985-N1987 PolarHBondContact O-N 3.45Å; D1985-V1988 PolarHBondContact O-N 3.03Å; D1985-P2106 HydrophobicContact CB-CB 4.37Å; D1985-N2107 WeakPolarHBondContact O-CA 3.38Å |
| 1986 | M | 85.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -67.1 | -15.3 | 176.2 | -70.4 | -57 | -177.3 | 0 | 0 | 113.9 | L1980 L1983 N1984 P2106 N2107 S2108 L2111 W2149 | L1980-M1986 HydrophobicContact CB-CE 4.07Å; L1980-M1986 WeakPolarHBondContact O-CG 3.48Å; L1983-M1986 HydrophobicContact CB-CG 4.2Å; L1983-M1986 PolarHBondContact O-N 3.47Å; N1984-M1986 PolarHBondContact O-N 3.46Å; M1986-P2106 HydrophobicContact CE-CB 3.65Å; M1986-P2106 HydrophobicContact CE-CG 4.16Å; M1986-P2106 HydrophobicContact SD-CB 3.82Å; M1986-N2107 CarbonylContact O-C 3.48Å; M1986-S2108 WeakPolarHBondContact O-CA 3.37Å; M1986-S2108 WeakPolarHBondContact O-CB 3.42Å; M1986-S2108 PolarHBondContact O-N 3.12Å; M1986-S2108 VanDerWaalsContact O-N 3.14Å; M1986-L2111 HydrophobicContact CB-CD2 4.29Å; M1986-W2149 HydrophobicContact CE-CH2 3.15Å; M1986-W2149 HydrophobicContact CE-CZ2 4.15Å; M1986-W2149 HydrophobicContact CE-CZ3 3.47Å; M1986-W2149 VanDerWaalsContact CE-CZ3 3.47Å |
| 1987 | N | 83 | Confident | 80.9 | Confident | 44 Ų | 44 | 63 Ų | 63 | 24% | 0.235 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -98.7 | -2.9 | 179.5 | -60.5 | -55.2 | 0 | 0 | 0 | 112.7 | L1983 N1984 D1985 Q2060 R2065 | L1983-N1987 PolarHBondContact O-ND2 3.28Å; N1984-N1987 PolarHBondContact O-N 3.38Å; D1985-N1987 PolarHBondContact O-N 3.45Å; N1987-Q2060 PolarHBondContact O-NE2 3.34Å; N1987-R2065 PolarHBondContact ND2-NE 3.35Å; N1987-R2065 PolarHBondContact ND2-NH1 3.02Å; N1987-R2065 PolarHBondContact ND2-NH2 3.38Å; N1987-R2065 WeakPolarHBondContact OD1-CD 3.44Å; N1987-R2065 WeakPolarHBondContact OD1-CG 3.25Å |
| 1988 | V | 86.3 | Confident | 81 | Confident | 87 Ų | 87 | 65 Ų | 65 | 53% | 0.527 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -88.6 | 134.1 | -178.2 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | D1985 S2108 | D1985-V1988 PolarHBondContact O-N 3.03Å; V1988-S2108 WeakPolarHBondContact O-CB 3.43Å; V1988-S2108 PolarHBondContact O-N 2.98Å; V1988-S2108 PolarHBondContact O-OG 3.2Å |
| 1989 | E | 85.7 | Confident | 81.4 | Confident | 77 Ų | 77 | 63.9 Ų | 63.9 | 36% | 0.36 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 126.5 | 171.7 | -169.5 | 170.1 | 177.5 | 0 | 0 | 108.5 | K2057 S2108 | E1989-K2057 WeakPolarHBondContact OE1-CE 3.5Å; E1989-K2057 IonicContact OE1-NZ 3.61Å; E1989-K2057 PolarHBondContact OE1-NZ 3.37Å; E1989-K2057 WeakPolarHBondContact OE2-CE 3.1Å; E1989-K2057 IonicContact OE2-NZ 2.63Å; E1989-K2057 PolarHBondContact OE2-NZ 3.15Å; E1989-S2108 WeakPolarHBondContact CA-OG 3.32Å |
| 1990 | P | 88.8 | Confident | 82 | Confident | 9 Ų | 9 | 59 Ų | 59 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 151 | 175.8 | 31 | -34.3 | 0 | 0 | 0 | 110 | L1992 N2107 H2109 | P1990-L1992 PolarHBondContact O-N 3.22Å; P1990-N2107 HydrophobicContact CB-CB 4.1Å; P1990-N2107 HydrophobicContact CG-CB 4.23Å; P1990-H2109 HydrophobicContact CG-CB 4.21Å; P1990-H2109 WeakPolarHBondContact CG-ND1 3.34Å |
| 1991 | R | 81.7 | Confident | 82.2 | Confident | 118 Ų | 118 | 63.6 Ų | 63.6 | 45% | 0.445 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 129.9 | 175 | -165.7 | -179.1 | -167.9 | 168.8 | 17.1 | 110.3 | Q1886 D1940 | Q1886-R1991 VanDerWaalsContact CD-CZ 3.44Å; D1940-R1991 WeakPolarHBondContact OD1-CD 3.23Å; D1940-R1991 IonicContact OD2-NE 3.47Å; D1940-R1991 IonicContact OD2-NH1 2.76Å |
| 1992 | L | 80.2 | Confident | 82.6 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 24% | 0.241 | 34% | 0.34 | C | S | . | . | trans | -131.3 | 113.7 | 177.3 | -69.5 | 174.9 | 0 | 0 | 0 | 109.2 | Y1942 P1990 F1996 I2053 | Y1942-L1992 HydrophobicContact CE1-CD2 3.61Å; P1990-L1992 PolarHBondContact O-N 3.22Å; L1992-F1996 HydrophobicContact CD1-CE1 4.24Å; L1992-I2053 HydrophobicContact CD1-CD1 3.48Å; L1992-I2053 VanDerWaalsContact CD1-CD1 3.48Å; L1992-I2053 HydrophobicContact CD1-CG1 4.47Å | ||
| 1993 | I | 79.1 | Confident | 83.1 | Confident | 54 Ų | 54 | 61.7 Ų | 61.7 | 28% | 0.277 | 33% | 0.327 | S | S | . | . | trans | -91 | -31.1 | -178.1 | -60.8 | -174.2 | 0 | 0 | 0 | 112.1 | D1940 Y1941 D1995 | D1940-I1993 HydrophobicContact CB-CD1 3.66Å; D1940-I1993 HydrophobicContact CB-CG1 4.07Å; Y1941-I1993 HydrophobicContact CE1-CG2 4.46Å; Y1941-I1993 HydrophobicContact CE2-CD1 3.9Å; I1993-D1995 PolarHBondContact O-N 3.25Å | ||
| 1994 | V | 76.7 | Confident | 83.5 | Confident | 46 Ų | 46 | 62 Ų | 62 | 28% | 0.279 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -75.7 | 125.5 | -174.7 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | F1943 A1944 F1996 | F1943-V1994 HydrophobicContact CD1-CG1 4.17Å; A1944-V1994 HydrophobicContact CB-CG2 4.07Å; V1994-F1996 VanDerWaalsContact O-CD1 3.23Å; V1994-F1996 WeakPolarHBondContact O-CD1 3.02Å; V1994-F1996 PolarHBondContact O-N 3.12Å; V1994-F1996 VanDerWaalsContact O-N 3.17Å |
| 1995 | D | 77.1 | Confident | 84.1 | Confident | 91 Ų | 91 | 56.3 Ų | 56.3 | 49% | 0.487 | 31% | 0.308 | S | S | . | . | trans | -80.6 | 93.2 | 172.2 | -161 | -17.2 | 0 | 0 | 0 | 110.8 | I1993 K1997 | I1993-D1995 PolarHBondContact O-N 3.25Å; D1995-K1997 VanDerWaalsContact C-N 3.26Å; D1995-K1997 PolarHBondContact O-N 3.27Å; D1995-K1997 VanDerWaalsContact OD1-CB 3.23Å; D1995-K1997 WeakPolarHBondContact OD1-CB 3.28Å; D1995-K1997 WeakPolarHBondContact OD1-CG 3.2Å; D1995-K1997 PolarHBondContact OD1-N 3.35Å | ||
| 1996 | F | 81.3 | Confident | 84.7 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 10% | 0.101 | 30% | 0.3 | C | S | . | . | trans | -76.2 | -10.4 | 176.4 | 47.1 | -91.6 | 0 | 0 | 0 | 112.9 | F1943 L1992 V1994 D1998 A1999 I2049 Y2050 I2053 | F1943-F1996 HydrophobicContact CE1-CB 4.3Å; F1943-F1996 HydrophobicContact CZ-CB 4.32Å; L1992-F1996 HydrophobicContact CD1-CE1 4.24Å; V1994-F1996 VanDerWaalsContact O-CD1 3.23Å; V1994-F1996 WeakPolarHBondContact O-CD1 3.02Å; V1994-F1996 PolarHBondContact O-N 3.12Å; V1994-F1996 VanDerWaalsContact O-N 3.17Å; F1996-D1998 VanDerWaalsContact C-N 3.29Å; F1996-D1998 PolarHBondContact O-N 3.03Å; F1996-A1999 PolarHBondContact O-N 3.33Å; F1996-I2049 HydrophobicContact CB-CG2 4.04Å; F1996-I2049 HydrophobicContact CD1-CG2 4.11Å; F1996-I2049 HydrophobicContact CD2-CG2 3.81Å; F1996-I2049 HydrophobicContact CE2-CG2 4.35Å; F1996-I2049 HydrophobicContact CG-CG2 3.69Å; F1996-Y2050 HydrophobicContact CD2-CD2 4.09Å; F1996-Y2050 AromaticContact CE2-CD2 3.82Å; F1996-Y2050 HydrophobicContact CE2-CD2 3.82Å; F1996-Y2050 HydrophobicContact CE2-CG 4.48Å; F1996-I2053 HydrophobicContact CE1-CD1 3.83Å; F1996-I2053 HydrophobicContact CE2-CD1 3.98Å; F1996-I2053 HydrophobicContact CZ-CD1 3.27Å | ||
| 1997 | K | 83.2 | Confident | 85 | Confident | 99 Ų | 99 | 59.4 Ų | 59.4 | 43% | 0.43 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -67.6 | -35 | 179.3 | -61.8 | -177.1 | 179 | 176 | 0 | 111.5 | D1995 A1999 I2000 Y2050 | D1995-K1997 VanDerWaalsContact C-N 3.26Å; D1995-K1997 PolarHBondContact O-N 3.27Å; D1995-K1997 VanDerWaalsContact OD1-CB 3.23Å; D1995-K1997 WeakPolarHBondContact OD1-CB 3.28Å; D1995-K1997 WeakPolarHBondContact OD1-CG 3.2Å; D1995-K1997 PolarHBondContact OD1-N 3.35Å; K1997-A1999 VanDerWaalsContact C-N 3.25Å; K1997-A1999 PolarHBondContact O-N 3.09Å; K1997-I2000 PolarHBondContact O-N 3.15Å; K1997-Y2050 HydrophobicContact CD-CE2 4.26Å; K1997-Y2050 HydrophobicContact CG-CD2 4.04Å; K1997-Y2050 HydrophobicContact CG-CE2 3.86Å |
| 1998 | D | 81.3 | Confident | 85.4 | Confident | 51 Ų | 51 | 57.9 Ų | 57.9 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -22.3 | 179.8 | -68.4 | -25.9 | 0 | 0 | 0 | 112.9 | Q1634 F1996 I2000 Q2001 | Q1634-D1998 VanDerWaalsContact CD-OD2 3.32Å; Q1634-D1998 VanDerWaalsContact NE2-CB 3.34Å; Q1634-D1998 PolarHBondContact NE2-OD2 3.4Å; Q1634-D1998 PolarHBondContact OE1-OD2 2.84Å; F1996-D1998 VanDerWaalsContact C-N 3.29Å; F1996-D1998 PolarHBondContact O-N 3.03Å; D1998-I2000 VanDerWaalsContact C-N 3.27Å; D1998-Q2001 VanDerWaalsContact O-CG 3.27Å; D1998-Q2001 WeakPolarHBondContact O-CG 3.19Å; D1998-Q2001 PolarHBondContact O-NE2 2.99Å |
| 1999 | A | 84.1 | Confident | 85.7 | Confident | 47 Ų | 47 | 53.8 Ų | 53.8 | 39% | 0.388 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -17.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1996 K1997 Q2001 L2043 S2046 | F1996-A1999 PolarHBondContact O-N 3.33Å; K1997-A1999 VanDerWaalsContact C-N 3.25Å; K1997-A1999 PolarHBondContact O-N 3.09Å; A1999-Q2001 VanDerWaalsContact C-N 3.35Å; A1999-Q2001 PolarHBondContact O-N 2.85Å; A1999-Q2001 VanDerWaalsContact O-N 3.1Å; A1999-L2043 WeakPolarHBondContact O-CD1 3.28Å; A1999-S2046 VanDerWaalsContact CB-OG 3.28Å; A1999-S2046 WeakPolarHBondContact CB-OG 3.26Å |
| 2000 | I | 90.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -86.3 | 77.8 | 176.9 | -51.5 | 175.5 | 0 | 0 | 0 | 109.2 | K1997 D1998 F2005 R2006 L2043 V2047 Y2050 | K1997-I2000 PolarHBondContact O-N 3.15Å; D1998-I2000 VanDerWaalsContact C-N 3.27Å; I2000-F2005 HydrophobicContact CG2-CD1 3.86Å; I2000-F2005 HydrophobicContact CG2-CE1 4.27Å; I2000-F2005 HydrophobicContact CG2-CG 4.32Å; I2000-R2006 HydrophobicContact CB-CB 4.34Å; I2000-R2006 HydrophobicContact CG2-CB 3.87Å; I2000-R2006 HydrophobicContact CG2-CG 4.46Å; I2000-L2043 HydrophobicContact CG2-CD1 4.45Å; I2000-V2047 HydrophobicContact CD1-CG2 4.49Å; I2000-V2047 HydrophobicContact CG1-CG2 4.44Å; I2000-Y2050 HydrophobicContact CD1-CD1 4.06Å; I2000-Y2050 HydrophobicContact CD1-CD2 4.1Å; I2000-Y2050 HydrophobicContact CD1-CG 3.7Å |
| 2001 | Q | 84.6 | Confident | 86.3 | Confident | 98 Ų | 98 | 56.3 Ų | 56.3 | 46% | 0.458 | 30% | 0.302 | S | S | . | . | trans | -107 | 150.4 | 177.5 | -64.9 | -62.2 | -27.2 | 0 | 0 | 112.2 | D1998 A1999 | D1998-Q2001 VanDerWaalsContact O-CG 3.27Å; D1998-Q2001 WeakPolarHBondContact O-CG 3.19Å; D1998-Q2001 PolarHBondContact O-NE2 2.99Å; A1999-Q2001 VanDerWaalsContact C-N 3.35Å; A1999-Q2001 PolarHBondContact O-N 2.85Å; A1999-Q2001 VanDerWaalsContact O-N 3.1Å | ||
| 2002 | P | 87.7 | Confident | 87 | Confident | 88 Ų | 88 | 51 Ų | 51 | 57% | 0.571 | 28% | 0.283 | S | S | * | . | S | Bend | cis | -69.3 | 160.1 | -6.5 | 30.3 | -35.4 | 0 | 0 | 0 | 112 | A2004 F2005 | P2002-A2004 PolarHBondContact O-N 3.27Å; P2002-F2005 WeakPolarHBondContact O-CA 3.38Å; P2002-F2005 VanDerWaalsContact O-CB 3.27Å; P2002-F2005 WeakPolarHBondContact O-CB 3.47Å; P2002-F2005 PolarHBondContact O-N 3.48Å |
| 2003 | V | 87.8 | Confident | 87.6 | Confident | 58 Ų | 58 | 49.6 Ų | 49.6 | 35% | 0.352 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -49.7 | -35.7 | 178.8 | 176.7 | 0 | 0 | 0 | 0 | 113 | F2005 R2006 D2007 | V2003-F2005 PolarHBondContact O-N 2.74Å; V2003-R2006 WeakPolarHBondContact O-CA 3.38Å; V2003-R2006 WeakPolarHBondContact O-CB 3.22Å; V2003-R2006 PolarHBondContact O-N 3Å; V2003-D2007 PolarHBondContact O-N 3.29Å |
| 2004 | A | 88.2 | Confident | 88.3 | Confident | 70 Ų | 70 | 50.4 Ų | 50.4 | 58% | 0.579 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -59.1 | -27.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P2002 G2008 | P2002-A2004 PolarHBondContact O-N 3.27Å; A2004-G2008 PolarHBondContact O-N 3.19Å |
| 2005 | F | 92.6 | Very high | 89 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68 | -46.3 | 172.5 | 179.4 | -156.5 | 0 | 0 | 0 | 110.6 | I2000 P2002 V2003 G2008 L2009 F2021 L2025 R2028 L2043 V2047 | I2000-F2005 HydrophobicContact CG2-CD1 3.86Å; I2000-F2005 HydrophobicContact CG2-CE1 4.27Å; I2000-F2005 HydrophobicContact CG2-CG 4.32Å; P2002-F2005 WeakPolarHBondContact O-CA 3.38Å; P2002-F2005 VanDerWaalsContact O-CB 3.27Å; P2002-F2005 WeakPolarHBondContact O-CB 3.47Å; P2002-F2005 PolarHBondContact O-N 3.48Å; V2003-F2005 PolarHBondContact O-N 2.74Å; F2005-G2008 PolarHBondContact O-N 3.12Å; F2005-L2009 WeakPolarHBondContact O-CB 3.29Å; F2005-L2009 PolarHBondContact O-N 3.07Å; F2005-F2021 AromaticContact CD2-CE2 4Å; F2005-F2021 HydrophobicContact CD2-CE2 4Å; F2005-F2021 HydrophobicContact CD2-CZ 4.06Å; F2005-F2021 HydrophobicContact CE2-CE2 4.06Å; F2005-F2021 AromaticContact CE2-CZ 3.72Å; F2005-F2021 HydrophobicContact CE2-CZ 3.72Å; F2005-L2025 HydrophobicContact CE2-CD1 3.61Å; F2005-L2025 HydrophobicContact CZ-CD1 3.6Å; F2005-R2028 HydrophobicContact CE1-CB 4.32Å; F2005-R2028 HydrophobicContact CE2-CB 4.4Å; F2005-R2028 HydrophobicContact CZ-CB 4.17Å; F2005-L2043 HydrophobicContact CD1-CD1 4.36Å; F2005-L2043 HydrophobicContact CE1-CD1 4.07Å; F2005-L2043 HydrophobicContact CE1-CD2 4.19Å; F2005-L2043 HydrophobicContact CE1-CG 4.35Å; F2005-V2047 HydrophobicContact CE1-CG2 4.01Å; F2005-V2047 HydrophobicContact CZ-CG2 4.11Å |
| 2006 | R | 92.6 | Very high | 89.8 | Confident | 56 Ų | 56 | 54.7 Ų | 54.7 | 21% | 0.211 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.8 | -44 | 175.6 | -172.3 | -169.1 | 67.3 | -157.3 | -0.2 | 111.4 | I2000 V2003 G2008 L2009 D2010 | I2000-R2006 HydrophobicContact CB-CB 4.34Å; I2000-R2006 HydrophobicContact CG2-CB 3.87Å; I2000-R2006 HydrophobicContact CG2-CG 4.46Å; V2003-R2006 WeakPolarHBondContact O-CA 3.38Å; V2003-R2006 WeakPolarHBondContact O-CB 3.22Å; V2003-R2006 PolarHBondContact O-N 3Å; R2006-G2008 VanDerWaalsContact C-N 3.33Å; R2006-G2008 PolarHBondContact O-N 3.16Å; R2006-L2009 WeakPolarHBondContact O-CB 3.37Å; R2006-L2009 PolarHBondContact O-N 3.32Å; R2006-L2009 VanDerWaalsContact O-N 3.14Å; R2006-D2010 WeakPolarHBondContact O-CB 3.5Å; R2006-D2010 PolarHBondContact O-N 3.25Å |
| 2007 | D | 91.5 | Very high | 90.1 | Very high | 79 Ų | 79 | 55.6 Ų | 55.6 | 42% | 0.422 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 178.9 | -61.7 | -16.9 | 0 | 0 | 0 | 111.1 | V2003 D2010 E2011 | V2003-D2007 PolarHBondContact O-N 3.29Å; D2007-D2010 PolarHBondContact O-N 3.09Å; D2007-E2011 WeakPolarHBondContact O-CB 3.15Å; D2007-E2011 PolarHBondContact O-N 2.74Å |
| 2008 | G | 91.9 | Very high | 90.5 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 13% | 0.134 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.3 | -34.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A2004 F2005 R2006 Y2012 F2021 | A2004-G2008 PolarHBondContact O-N 3.19Å; F2005-G2008 PolarHBondContact O-N 3.12Å; R2006-G2008 VanDerWaalsContact C-N 3.33Å; R2006-G2008 PolarHBondContact O-N 3.16Å; G2008-Y2012 WeakPolarHBondContact O-CB 3.15Å; G2008-Y2012 PolarHBondContact O-N 3.38Å; G2008-F2021 VanDerWaalsContact C-CE2 3.41Å |
| 2009 | L | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 172.7 | -175.1 | 66.7 | 0 | 0 | 0 | 110.5 | F2005 R2006 Y2012 L2013 F2021 Y2050 V2051 I2079 | F2005-L2009 WeakPolarHBondContact O-CB 3.29Å; F2005-L2009 PolarHBondContact O-N 3.07Å; R2006-L2009 WeakPolarHBondContact O-CB 3.37Å; R2006-L2009 PolarHBondContact O-N 3.32Å; R2006-L2009 VanDerWaalsContact O-N 3.14Å; L2009-Y2012 PolarHBondContact O-N 3.32Å; L2009-L2013 HydrophobicContact CG-CD1 4.38Å; L2009-L2013 WeakPolarHBondContact O-CB 3.42Å; L2009-L2013 VanDerWaalsContact O-CG 3.26Å; L2009-L2013 WeakPolarHBondContact O-CG 3.28Å; L2009-L2013 PolarHBondContact O-N 3.37Å; L2009-F2021 VanDerWaalsContact CA-CZ 3.43Å; L2009-F2021 HydrophobicContact CB-CE1 4.41Å; L2009-F2021 HydrophobicContact CB-CE2 4.39Å; L2009-F2021 HydrophobicContact CB-CZ 3.72Å; L2009-F2021 HydrophobicContact CD1-CE1 3.67Å; L2009-F2021 HydrophobicContact CD1-CZ 3.71Å; L2009-F2021 HydrophobicContact CG-CZ 4.34Å; L2009-Y2050 HydrophobicContact CD2-CD1 3.62Å; L2009-Y2050 HydrophobicContact CD2-CE1 3.91Å; L2009-V2051 HydrophobicContact CD1-CG2 4.07Å; L2009-V2051 HydrophobicContact CD2-CG2 4.07Å; L2009-V2051 HydrophobicContact CG-CG2 4.43Å; L2009-I2079 HydrophobicContact CD1-CD1 3.68Å |
| 2010 | D | 94 | Very high | 91 | Very high | 37 Ų | 37 | 57.7 Ų | 57.7 | 20% | 0.198 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.5 | -39.1 | 179.6 | -71.9 | -22 | 0 | 0 | 0 | 112.6 | R2006 D2007 L2013 A2014 Y2050 R2054 | R2006-D2010 WeakPolarHBondContact O-CB 3.5Å; R2006-D2010 PolarHBondContact O-N 3.25Å; D2007-D2010 PolarHBondContact O-N 3.09Å; D2010-L2013 PolarHBondContact O-N 3.46Å; D2010-A2014 WeakPolarHBondContact O-CB 3.46Å; D2010-A2014 PolarHBondContact O-N 2.86Å; D2010-Y2050 WeakPolarHBondContact OD1-CE1 3.49Å; D2010-Y2050 VanDerWaalsContact OD1-CZ 3.29Å; D2010-Y2050 PolarHBondContact OD1-OH 3.08Å; D2010-Y2050 PolarHBondContact OD2-OH 3.16Å; D2010-R2054 IonicContact OD1-CZ 3.66Å; D2010-R2054 IonicContact OD1-NH1 3.89Å; D2010-R2054 PolarHBondContact OD1-NH1 2.92Å |
| 2011 | E | 93.7 | Very high | 91.1 | Very high | 102 Ų | 102 | 58 Ų | 58 | 48% | 0.477 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 173.6 | -169.3 | -177.7 | -177.2 | 0 | 0 | 111 | D2007 A2014 N2015 A2017 | D2007-E2011 WeakPolarHBondContact O-CB 3.15Å; D2007-E2011 PolarHBondContact O-N 2.74Å; E2011-A2014 PolarHBondContact O-N 3.35Å; E2011-N2015 WeakPolarHBondContact O-CB 3.25Å; E2011-N2015 PolarHBondContact O-N 3.45Å; E2011-A2017 CarbonylContact C-O 3.58Å |
| 2012 | Y | 95.4 | Very high | 91.4 | Very high | 8 Ų | 8 | 54.4 Ų | 54.4 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 175.7 | -174.7 | -91.5 | 0 | 0 | 0 | 111.8 | G2008 L2009 A2014 R2016 F2021 L2022 D2078 I2079 | G2008-Y2012 WeakPolarHBondContact O-CB 3.15Å; G2008-Y2012 PolarHBondContact O-N 3.38Å; L2009-Y2012 PolarHBondContact O-N 3.32Å; Y2012-A2014 VanDerWaalsContact C-N 3.28Å; Y2012-A2014 PolarHBondContact O-N 2.82Å; Y2012-R2016 WeakPolarHBondContact O-CA 3.49Å; Y2012-R2016 PolarHBondContact O-N 3.07Å; Y2012-F2021 HydrophobicContact CD2-CB 4.17Å; Y2012-F2021 HydrophobicContact CD2-CD1 4.31Å; Y2012-F2021 AromaticContact CG-CD1 3.97Å; Y2012-F2021 HydrophobicContact CG-CD1 3.97Å; Y2012-L2022 HydrophobicContact CD1-CD2 4.38Å; Y2012-L2022 HydrophobicContact CE1-CD1 4.47Å; Y2012-L2022 HydrophobicContact CE1-CD2 3.85Å; Y2012-L2022 HydrophobicContact CE1-CG 4.24Å; Y2012-L2022 HydrophobicContact CE2-CD1 4.25Å; Y2012-L2022 HydrophobicContact CE2-CD2 4.34Å; Y2012-L2022 HydrophobicContact CE2-CG 3.9Å; Y2012-L2022 VanDerWaalsContact OH-CD1 3.28Å; Y2012-L2022 WeakPolarHBondContact OH-CD1 3.2Å; Y2012-D2078 HydrophobicContact CE1-CB 4.3Å; Y2012-D2078 PolarHBondContact OH-OD2 3.48Å; Y2012-I2079 HydrophobicContact CD1-CD1 4.03Å; Y2012-I2079 HydrophobicContact CD1-CG1 3.99Å; Y2012-I2079 HydrophobicContact CE1-CD1 4.41Å; Y2012-I2079 HydrophobicContact CE1-CG1 3.94Å |
| 2013 | L | 93.9 | Very high | 91.3 | Very high | 16 Ų | 16 | 54.4 Ų | 54.4 | 8% | 0.084 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.4 | -32.7 | 177.8 | -74.1 | 177.9 | 0 | 0 | 0 | 113 | L2009 D2010 R2054 A2075 H2076 I2079 | L2009-L2013 HydrophobicContact CG-CD1 4.38Å; L2009-L2013 WeakPolarHBondContact O-CB 3.42Å; L2009-L2013 VanDerWaalsContact O-CG 3.26Å; L2009-L2013 WeakPolarHBondContact O-CG 3.28Å; L2009-L2013 PolarHBondContact O-N 3.37Å; D2010-L2013 PolarHBondContact O-N 3.46Å; L2013-R2054 HydrophobicContact CD1-CB 4.33Å; L2013-A2075 HydrophobicContact CD2-CB 4.31Å; L2013-H2076 HydrophobicContact CD2-CB 4.25Å; L2013-H2076 WeakPolarHBondContact CD2-CD2 3.44Å; L2013-I2079 HydrophobicContact CD2-CD1 3.51Å; L2013-I2079 HydrophobicContact CG-CD1 4.06Å |
| 2014 | A | 92 | Very high | 91.4 | Very high | 71 Ų | 71 | 52.4 Ų | 52.4 | 59% | 0.587 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -79.1 | -45.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D2010 E2011 Y2012 | D2010-A2014 WeakPolarHBondContact O-CB 3.46Å; D2010-A2014 PolarHBondContact O-N 2.86Å; E2011-A2014 PolarHBondContact O-N 3.35Å; Y2012-A2014 VanDerWaalsContact C-N 3.28Å; Y2012-A2014 PolarHBondContact O-N 2.82Å |
| 2015 | N | 92.7 | Very high | 91.5 | Very high | 111 Ų | 111 | 49.1 Ų | 49.1 | 59% | 0.594 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -112.2 | -8.9 | -165.9 | -60.8 | -32.7 | 0 | 0 | 0 | 114.1 | E2011 A2017 | E2011-N2015 WeakPolarHBondContact O-CB 3.25Å; E2011-N2015 PolarHBondContact O-N 3.45Å; N2015-A2017 HydrophobicContact CB-CB 4.33Å; N2015-A2017 PolarHBondContact O-N 3.25Å |
| 2016 | R | 92.9 | Very high | 91.4 | Very high | 116 Ų | 116 | 53.1 Ų | 53.1 | 44% | 0.438 | 30% | 0.302 | S | S | . | . | trans | 51.2 | 29.3 | -164 | -64.6 | -171.2 | -173.4 | -163.7 | 7.4 | 113.4 | Y2012 H2073 A2075 D2078 | Y2012-R2016 WeakPolarHBondContact O-CA 3.49Å; Y2012-R2016 PolarHBondContact O-N 3.07Å; R2016-H2073 PolarHBondContact NH2-O 3.02Å; R2016-A2075 HydrophobicContact CG-CB 3.7Å; R2016-D2078 IonicContact NH1-OD2 2.91Å | ||
| 2017 | A | 89 | Confident | 91.2 | Very high | 42 Ų | 42 | 54.3 Ų | 54.3 | 35% | 0.347 | 32% | 0.319 | S | S | . | . | trans | -147.8 | 148.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | E2011 N2015 | E2011-A2017 CarbonylContact C-O 3.58Å; N2015-A2017 HydrophobicContact CB-CB 4.33Å; N2015-A2017 PolarHBondContact O-N 3.25Å | ||
| 2018 | P | 90 | Very high | 91.1 | Very high | 55 Ų | 55 | 55.5 Ų | 55.5 | 36% | 0.357 | 32% | 0.318 | S | S | . | . | cis | -77.4 | 139.5 | -3.8 | 32.1 | -34.6 | 0 | 0 | 0 | 112.4 | S2020 F2021 | P2018-S2020 PolarHBondContact O-N 3.25Å; P2018-F2021 WeakPolarHBondContact O-CB 3.4Å; P2018-F2021 PolarHBondContact O-N 2.84Å | ||
| 2019 | V | 88 | Confident | 91.2 | Very high | 104 Ų | 104 | 54.9 Ų | 54.9 | 63% | 0.63 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -27.3 | 179.2 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | F2021 L2022 | V2019-F2021 PolarHBondContact O-N 3.39Å; V2019-L2022 PolarHBondContact O-N 3.5Å; V2019-L2022 VanDerWaalsContact O-N 3.14Å |
| 2020 | S | 89 | Confident | 91.1 | Very high | 81 Ų | 81 | 58.1 Ų | 58.1 | 57% | 0.566 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59.8 | -16.7 | 174 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | P2018 S2023 G2024 | P2018-S2020 PolarHBondContact O-N 3.25Å; S2020-S2023 WeakPolarHBondContact CA-OG 3.49Å; S2020-S2023 PolarHBondContact O-OG 3.36Å; S2020-G2024 PolarHBondContact O-N 3.49Å |
| 2021 | F | 92.6 | Very high | 90.9 | Very high | 8 Ų | 8 | 61.7 Ų | 61.7 | 4% | 0.035 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 173.1 | 178.5 | -94.6 | 0 | 0 | 0 | 111.9 | F2005 G2008 L2009 Y2012 P2018 V2019 S2023 G2024 L2025 R2028 | F2005-F2021 AromaticContact CD2-CE2 4Å; F2005-F2021 HydrophobicContact CD2-CE2 4Å; F2005-F2021 HydrophobicContact CD2-CZ 4.06Å; F2005-F2021 HydrophobicContact CE2-CE2 4.06Å; F2005-F2021 AromaticContact CE2-CZ 3.72Å; F2005-F2021 HydrophobicContact CE2-CZ 3.72Å; G2008-F2021 VanDerWaalsContact C-CE2 3.41Å; L2009-F2021 VanDerWaalsContact CA-CZ 3.43Å; L2009-F2021 HydrophobicContact CB-CE1 4.41Å; L2009-F2021 HydrophobicContact CB-CE2 4.39Å; L2009-F2021 HydrophobicContact CB-CZ 3.72Å; L2009-F2021 HydrophobicContact CD1-CE1 3.67Å; L2009-F2021 HydrophobicContact CD1-CZ 3.71Å; L2009-F2021 HydrophobicContact CG-CZ 4.34Å; Y2012-F2021 HydrophobicContact CD2-CB 4.17Å; Y2012-F2021 HydrophobicContact CD2-CD1 4.31Å; Y2012-F2021 AromaticContact CG-CD1 3.97Å; Y2012-F2021 HydrophobicContact CG-CD1 3.97Å; P2018-F2021 WeakPolarHBondContact O-CB 3.4Å; P2018-F2021 PolarHBondContact O-N 2.84Å; V2019-F2021 PolarHBondContact O-N 3.39Å; F2021-S2023 PolarHBondContact O-N 2.93Å; F2021-G2024 PolarHBondContact O-N 2.98Å; F2021-G2024 VanDerWaalsContact O-N 3.1Å; F2021-L2025 HydrophobicContact CE1-CD1 4.23Å; F2021-L2025 HydrophobicContact CZ-CD1 4.27Å; F2021-L2025 PolarHBondContact O-N 3.44Å; F2021-R2028 VanDerWaalsContact CE2-NH1 3.26Å |
| 2022 | L | 90.7 | Very high | 90.6 | Very high | 22 Ų | 22 | 58.8 Ų | 58.8 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.3 | -48.1 | -179.4 | -68.3 | -174.4 | 0 | 0 | 0 | 111.4 | Y2012 V2019 G2024 L2025 D2078 I2079 N2082 | Y2012-L2022 HydrophobicContact CD1-CD2 4.38Å; Y2012-L2022 HydrophobicContact CE1-CD1 4.47Å; Y2012-L2022 HydrophobicContact CE1-CD2 3.85Å; Y2012-L2022 HydrophobicContact CE1-CG 4.24Å; Y2012-L2022 HydrophobicContact CE2-CD1 4.25Å; Y2012-L2022 HydrophobicContact CE2-CD2 4.34Å; Y2012-L2022 HydrophobicContact CE2-CG 3.9Å; Y2012-L2022 VanDerWaalsContact OH-CD1 3.28Å; Y2012-L2022 WeakPolarHBondContact OH-CD1 3.2Å; V2019-L2022 PolarHBondContact O-N 3.5Å; V2019-L2022 VanDerWaalsContact O-N 3.14Å; L2022-G2024 PolarHBondContact O-N 2.96Å; L2022-G2024 VanDerWaalsContact O-N 3.09Å; L2022-L2025 VanDerWaalsContact O-CB 3.22Å; L2022-L2025 WeakPolarHBondContact O-CB 3.27Å; L2022-L2025 PolarHBondContact O-N 3.25Å; L2022-D2078 HydrophobicContact CD1-CB 4.42Å; L2022-I2079 HydrophobicContact CD2-CB 4.45Å; L2022-I2079 HydrophobicContact CD2-CG1 3.84Å; L2022-N2082 HydrophobicContact CB-CB 4.48Å; L2022-N2082 HydrophobicContact CD1-CB 4.34Å; L2022-N2082 HydrophobicContact CD2-CB 4.34Å; L2022-N2082 PolarHBondContact O-OD1 2.77Å |
| 2023 | S | 86.4 | Confident | 89.9 | Confident | 88 Ų | 88 | 63.6 Ų | 63.6 | 62% | 0.615 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.2 | -24.1 | 177.5 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | S2020 F2021 | S2020-S2023 WeakPolarHBondContact CA-OG 3.49Å; S2020-S2023 PolarHBondContact O-OG 3.36Å; F2021-S2023 PolarHBondContact O-N 2.93Å |
| 2024 | G | 88.4 | Confident | 89.2 | Confident | 16 Ų | 16 | 68.1 Ų | 68.1 | 17% | 0.165 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -85.5 | -12.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S2020 F2021 L2022 R2026 S2027 R2028 | S2020-G2024 PolarHBondContact O-N 3.49Å; F2021-G2024 PolarHBondContact O-N 2.98Å; F2021-G2024 VanDerWaalsContact O-N 3.1Å; L2022-G2024 PolarHBondContact O-N 2.96Å; L2022-G2024 VanDerWaalsContact O-N 3.09Å; G2024-R2026 PolarHBondContact O-N 3.42Å; G2024-S2027 PolarHBondContact O-N 3.44Å; G2024-S2027 PolarHBondContact O-OG 3.19Å; G2024-R2028 WeakPolarHBondContact O-CG 3.24Å; G2024-R2028 PolarHBondContact O-N 3.31Å |
| 2025 | L | 90.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.6 | -44.4 | -166.1 | -169.7 | 62.4 | 0 | 0 | 0 | 112.7 | F2005 F2021 L2022 S2027 R2028 L2029 I2079 L2083 | F2005-L2025 HydrophobicContact CE2-CD1 3.61Å; F2005-L2025 HydrophobicContact CZ-CD1 3.6Å; F2021-L2025 HydrophobicContact CE1-CD1 4.23Å; F2021-L2025 HydrophobicContact CZ-CD1 4.27Å; F2021-L2025 PolarHBondContact O-N 3.44Å; L2022-L2025 VanDerWaalsContact O-CB 3.22Å; L2022-L2025 WeakPolarHBondContact O-CB 3.27Å; L2022-L2025 PolarHBondContact O-N 3.25Å; L2025-S2027 VanDerWaalsContact C-N 3.34Å; L2025-S2027 PolarHBondContact O-N 3Å; L2025-R2028 PolarHBondContact O-N 3.06Å; L2025-L2029 HydrophobicContact CG-CD1 4.29Å; L2025-L2029 WeakPolarHBondContact O-CG 3.32Å; L2025-L2029 PolarHBondContact O-N 3.32Å; L2025-I2079 HydrophobicContact CD2-CG2 3.76Å; L2025-L2083 HydrophobicContact CD2-CD1 4.09Å; L2025-L2083 HydrophobicContact CD2-CD2 3.43Å; L2025-L2083 VanDerWaalsContact CD2-CD2 3.43Å; L2025-L2083 HydrophobicContact CD2-CG 3.62Å; L2025-L2083 HydrophobicContact CG-CD2 3.78Å; L2025-L2083 HydrophobicContact CG-CG 4.5Å |
| 2026 | R | 90.7 | Very high | 87.5 | Confident | 90 Ų | 90 | 67.8 Ų | 67.8 | 34% | 0.34 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -56.5 | -47 | 174.7 | 174.2 | 174.8 | -179 | -172.9 | -4.6 | 112.1 | G2024 R2028 L2029 Q2030 D2086 L2087 | G2024-R2026 PolarHBondContact O-N 3.42Å; R2026-R2028 PolarHBondContact O-N 2.99Å; R2026-L2029 PolarHBondContact O-N 3.36Å; R2026-L2029 VanDerWaalsContact O-N 3.09Å; R2026-Q2030 HydrophobicContact CG-CG 4.3Å; R2026-Q2030 WeakPolarHBondContact O-CG 2.89Å; R2026-Q2030 PolarHBondContact O-N 3.18Å; R2026-Q2030 VanDerWaalsContact O-N 3.13Å; R2026-D2086 WeakPolarHBondContact CD-O 3.14Å; R2026-D2086 PolarHBondContact NH1-O 3.41Å; R2026-L2087 HydrophobicContact CB-CD2 4.42Å; R2026-L2087 HydrophobicContact CG-CD2 4.18Å |
| 2027 | S | 88.9 | Confident | 86.9 | Confident | 81 Ų | 81 | 68.9 Ų | 68.9 | 57% | 0.566 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.1 | -29.3 | -178.3 | 71 | 0 | 0 | 0 | 0 | 112.9 | G2024 L2025 | G2024-S2027 PolarHBondContact O-N 3.44Å; G2024-S2027 PolarHBondContact O-OG 3.19Å; L2025-S2027 VanDerWaalsContact C-N 3.34Å; L2025-S2027 PolarHBondContact O-N 3Å |
| 2028 | R | 90.1 | Very high | 86.8 | Confident | 104 Ų | 104 | 69.2 Ų | 69.2 | 39% | 0.392 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -78 | -22.1 | 176.7 | -65.7 | 177.4 | -170.8 | -164.2 | 2.5 | 113.3 | F2005 F2021 G2024 L2025 R2026 | F2005-R2028 HydrophobicContact CE1-CB 4.32Å; F2005-R2028 HydrophobicContact CE2-CB 4.4Å; F2005-R2028 HydrophobicContact CZ-CB 4.17Å; F2021-R2028 VanDerWaalsContact CE2-NH1 3.26Å; G2024-R2028 WeakPolarHBondContact O-CG 3.24Å; G2024-R2028 PolarHBondContact O-N 3.31Å; L2025-R2028 PolarHBondContact O-N 3.06Å; R2026-R2028 PolarHBondContact O-N 2.99Å |
| 2029 | L | 92.8 | Very high | 86.9 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.005 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -93.3 | -20.8 | -179.3 | -66.8 | 170 | 0 | 0 | 0 | 113 | L2025 R2026 Y2039 N2040 L2043 L2044 V2047 L2083 | L2025-L2029 HydrophobicContact CG-CD1 4.29Å; L2025-L2029 WeakPolarHBondContact O-CG 3.32Å; L2025-L2029 PolarHBondContact O-N 3.32Å; R2026-L2029 PolarHBondContact O-N 3.36Å; R2026-L2029 VanDerWaalsContact O-N 3.09Å; L2029-Y2039 HydrophobicContact CB-CD1 4.3Å; L2029-Y2039 WeakPolarHBondContact O-CA 3.26Å; L2029-N2040 PolarHBondContact O-N 3.45Å; L2029-L2043 HydrophobicContact CD2-CD2 4.01Å; L2029-L2043 HydrophobicContact CD2-CG 3.87Å; L2029-L2044 HydrophobicContact CD1-CD1 3.99Å; L2029-L2044 HydrophobicContact CD2-CB 4.41Å; L2029-V2047 HydrophobicContact CD2-CG2 4.48Å; L2029-L2083 HydrophobicContact CD1-CD2 3.67Å |
| 2030 | Q | 91.1 | Very high | 87.1 | Confident | 67 Ų | 67 | 64.4 Ų | 64.4 | 31% | 0.313 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -81.9 | 133.5 | 178.9 | -73 | -178.3 | -25.8 | 0 | 0 | 111.6 | R2026 K2038 Y2039 | R2026-Q2030 HydrophobicContact CG-CG 4.3Å; R2026-Q2030 WeakPolarHBondContact O-CG 2.89Å; R2026-Q2030 PolarHBondContact O-N 3.18Å; R2026-Q2030 VanDerWaalsContact O-N 3.13Å; Q2030-K2038 CarbonylContact C-O 3.56Å; Q2030-K2038 VanDerWaalsContact CA-O 3.31Å; Q2030-K2038 WeakPolarHBondContact CA-O 3.36Å; Q2030-Y2039 HydrophobicContact CG-CD1 3.67Å; Q2030-Y2039 HydrophobicContact CG-CE1 3.26Å; Q2030-Y2039 PolarHBondContact NE2-OH 2.97Å; Q2030-Y2039 VanDerWaalsContact NE2-OH 3.11Å |
| 2031 | I | 89.9 | Confident | 87.1 | Confident | 112 Ų | 112 | 62.3 Ų | 62.3 | 57% | 0.574 | 35% | 0.349 | S | S | * | . | trans | -122.1 | -19.2 | 179.6 | 53.9 | 170.9 | 0 | 0 | 0 | 113.4 | K2038 N2040 | I2031-K2038 PolarHBondContact N-O 3.26Å; I2031-N2040 HydrophobicContact CD1-CB 4.19Å; I2031-N2040 HydrophobicContact CG1-CB 4.44Å; I2031-N2040 HydrophobicContact CG2-CB 3.76Å | ||
| 2032 | S | 87.4 | Confident | 87 | Confident | 42 Ų | 42 | 64.7 Ų | 64.7 | 29% | 0.294 | 37% | 0.366 | S | S | . | . | trans | -148 | 158.9 | 179.8 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | E2034 R2037 K2038 | S2032-E2034 WeakPolarHBondContact OG-CB 3.48Å; S2032-E2034 PolarHBondContact OG-N 3.22Å; S2032-R2037 WeakPolarHBondContact CB-O 3.42Å; S2032-K2038 PolarHBondContact N-O 3.33Å; S2032-K2038 VanDerWaalsContact O-CA 3.24Å; S2032-K2038 WeakPolarHBondContact O-CA 3.26Å | ||
| 2033 | S | 81.9 | Confident | 87.1 | Confident | 109 Ų | 109 | 64.2 Ų | 64.2 | 76% | 0.762 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -89.8 | -10.1 | 166.7 | 48.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 2034 | E | 78.6 | Confident | 87.4 | Confident | 111 Ų | 111 | 60 Ų | 60 | 52% | 0.519 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -71.4 | 126.8 | -177.8 | -68 | -176.3 | 168.8 | 0 | 0 | 112.4 | S2032 G2036 R2037 K2038 | S2032-E2034 WeakPolarHBondContact OG-CB 3.48Å; S2032-E2034 PolarHBondContact OG-N 3.22Å; E2034-G2036 PolarHBondContact O-N 2.81Å; E2034-R2037 CarbonylContact O-C 3.42Å; E2034-R2037 PolarHBondContact O-N 3.21Å; E2034-R2037 VanDerWaalsContact O-N 3.13Å; E2034-K2038 WeakPolarHBondContact O-CG 3.48Å; E2034-K2038 PolarHBondContact O-N 3.35Å |
| 2035 | P | 74.9 | Confident | 87.7 | Confident | 110 Ų | 110 | 59.5 Ų | 59.5 | 71% | 0.714 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 133.8 | 175.8 | -22.5 | 31.7 | 0 | 0 | 0 | 112.7 | R2037 | P2035-R2037 VanDerWaalsContact C-N 3.27Å; P2035-R2037 PolarHBondContact O-N 3.1Å |
| 2036 | G | 74.6 | Confident | 87.9 | Confident | 64 Ų | 64 | 59.5 Ų | 59.5 | 66% | 0.66 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | -7.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | E2034 E2090 | E2034-G2036 PolarHBondContact O-N 2.81Å; G2036-E2090 VanDerWaalsContact C-OE1 3.25Å; G2036-E2090 WeakPolarHBondContact CA-OE1 3.35Å; G2036-E2090 PolarHBondContact N-OE1 2.92Å; G2036-E2090 VanDerWaalsContact N-OE1 3.09Å; G2036-E2090 PolarHBondContact N-OE2 3.44Å |
| 2037 | R | 80.6 | Confident | 88.1 | Confident | 140 Ų | 140 | 55.2 Ų | 55.2 | 53% | 0.528 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -130.7 | 15.2 | 174.3 | -65.7 | -171.6 | 178.8 | -165.9 | 3.1 | 112.5 | S2032 E2034 P2035 Y2039 E2090 | S2032-R2037 WeakPolarHBondContact CB-O 3.42Å; E2034-R2037 CarbonylContact O-C 3.42Å; E2034-R2037 PolarHBondContact O-N 3.21Å; E2034-R2037 VanDerWaalsContact O-N 3.13Å; P2035-R2037 VanDerWaalsContact C-N 3.27Å; P2035-R2037 PolarHBondContact O-N 3.1Å; R2037-Y2039 VanDerWaalsContact C-N 3.29Å; R2037-Y2039 PolarHBondContact O-N 3.04Å; R2037-E2090 PolarHBondContact N-OE1 3.27Å |
| 2038 | K | 87.2 | Confident | 88.4 | Confident | 48 Ų | 48 | 51.4 Ų | 51.4 | 21% | 0.209 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -65.7 | -33.9 | -171.4 | -68.2 | -175.5 | 179.3 | 165 | 0 | 113.2 | Q2030 I2031 S2032 E2034 D2088 E2090 | Q2030-K2038 CarbonylContact C-O 3.56Å; Q2030-K2038 VanDerWaalsContact CA-O 3.31Å; Q2030-K2038 WeakPolarHBondContact CA-O 3.36Å; I2031-K2038 PolarHBondContact N-O 3.26Å; S2032-K2038 PolarHBondContact N-O 3.33Å; S2032-K2038 VanDerWaalsContact O-CA 3.24Å; S2032-K2038 WeakPolarHBondContact O-CA 3.26Å; E2034-K2038 WeakPolarHBondContact O-CG 3.48Å; E2034-K2038 PolarHBondContact O-N 3.35Å; K2038-D2088 WeakPolarHBondContact CD-OD2 3.46Å; K2038-D2088 IonicContact NZ-OD2 3.94Å; K2038-D2088 PolarHBondContact NZ-OD2 3.49Å; K2038-E2090 WeakPolarHBondContact CD-OE2 3.36Å; K2038-E2090 WeakPolarHBondContact CG-OE2 3.43Å; K2038-E2090 PolarHBondContact N-OE1 3.43Å; K2038-E2090 VanDerWaalsContact N-OE1 3.09Å |
| 2039 | Y | 92 | Very high | 88.6 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -114.7 | 145.7 | -171.3 | -62.1 | -85.7 | 0 | 0 | 0 | 112.7 | L2029 Q2030 R2037 V2041 L2087 D2088 E2090 G2091 L2094 | L2029-Y2039 HydrophobicContact CB-CD1 4.3Å; L2029-Y2039 WeakPolarHBondContact O-CA 3.26Å; Q2030-Y2039 HydrophobicContact CG-CD1 3.67Å; Q2030-Y2039 HydrophobicContact CG-CE1 3.26Å; Q2030-Y2039 PolarHBondContact NE2-OH 2.97Å; Q2030-Y2039 VanDerWaalsContact NE2-OH 3.11Å; R2037-Y2039 VanDerWaalsContact C-N 3.29Å; R2037-Y2039 PolarHBondContact O-N 3.04Å; Y2039-V2041 PolarHBondContact O-N 3.27Å; Y2039-L2087 HydrophobicContact CD1-CD2 4.19Å; Y2039-L2087 HydrophobicContact CE1-CD2 3.44Å; Y2039-L2087 VanDerWaalsContact CE1-CD2 3.44Å; Y2039-D2088 WeakPolarHBondContact CE2-OD1 3.44Å; Y2039-D2088 PolarHBondContact OH-N 3.29Å; Y2039-D2088 PolarHBondContact OH-OD1 3.41Å; Y2039-E2090 HydrophobicContact CD2-CG 4.31Å; Y2039-E2090 HydrophobicContact CE2-CB 4.34Å; Y2039-E2090 HydrophobicContact CE2-CG 4.45Å; Y2039-G2091 VanDerWaalsContact CE2-N 3.26Å; Y2039-L2094 HydrophobicContact CD2-CD1 4.08Å; Y2039-L2094 HydrophobicContact CG-CD1 4.38Å |
| 2040 | N | 91.1 | Very high | 88.7 | Confident | 51 Ų | 51 | 47.1 Ų | 47.1 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | trans | -75.9 | 91.2 | 169.1 | -171.7 | -24.2 | 0 | 0 | 0 | 109.6 | L2029 I2031 P2042 L2043 L2044 | L2029-N2040 PolarHBondContact O-N 3.45Å; I2031-N2040 HydrophobicContact CD1-CB 4.19Å; I2031-N2040 HydrophobicContact CG1-CB 4.44Å; I2031-N2040 HydrophobicContact CG2-CB 3.76Å; N2040-P2042 VanDerWaalsContact OD1-CD 3.32Å; N2040-P2042 WeakPolarHBondContact OD1-CD 3.29Å; N2040-L2043 HydrophobicContact CB-CB 3.85Å; N2040-L2043 HydrophobicContact CB-CD2 4.4Å; N2040-L2043 PolarHBondContact O-N 2.61Å; N2040-L2043 WeakPolarHBondContact OD1-CB 3.36Å; N2040-L2043 PolarHBondContact OD1-N 3.38Å; N2040-L2043 VanDerWaalsContact OD1-N 3.12Å; N2040-L2044 WeakPolarHBondContact O-CB 3.49Å; N2040-L2044 PolarHBondContact O-N 3.08Å | ||
| 2041 | V | 89.8 | Confident | 88.9 | Confident | 37 Ų | 37 | 43.9 Ų | 43.9 | 22% | 0.224 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.3 | -46.7 | -177.1 | -177.6 | 0 | 0 | 0 | 0 | 112.8 | Y2039 L2043 L2044 N2045 L2094 | Y2039-V2041 PolarHBondContact O-N 3.27Å; V2041-L2043 VanDerWaalsContact C-N 3.34Å; V2041-L2043 PolarHBondContact O-N 2.94Å; V2041-L2044 PolarHBondContact O-N 2.75Å; V2041-N2045 WeakPolarHBondContact O-CB 3.36Å; V2041-N2045 PolarHBondContact O-N 3.39Å; V2041-L2094 HydrophobicContact CG2-CD1 3.94Å; V2041-L2094 HydrophobicContact CG2-CD2 3.9Å; V2041-L2094 HydrophobicContact CG2-CG 4.48Å |
| 2042 | P | 89.7 | Confident | 89.2 | Confident | 59 Ų | 59 | 38.6 Ų | 38.6 | 38% | 0.383 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.5 | -40.9 | 175.6 | -26 | 34.8 | 0 | 0 | 0 | 113.7 | N2040 N2045 S2046 | N2040-P2042 VanDerWaalsContact OD1-CD 3.32Å; N2040-P2042 WeakPolarHBondContact OD1-CD 3.29Å; P2042-N2045 PolarHBondContact O-N 3.28Å; P2042-S2046 WeakPolarHBondContact O-CB 3.32Å; P2042-S2046 PolarHBondContact O-N 2.69Å; P2042-S2046 PolarHBondContact O-OG 3.16Å |
| 2043 | L | 92.4 | Very high | 89.4 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.4 | -44.5 | 176 | 179.4 | 61.7 | 0 | 0 | 0 | 111.1 | A1999 I2000 F2005 L2029 N2040 V2041 S2046 V2047 | A1999-L2043 WeakPolarHBondContact O-CD1 3.28Å; I2000-L2043 HydrophobicContact CG2-CD1 4.45Å; F2005-L2043 HydrophobicContact CD1-CD1 4.36Å; F2005-L2043 HydrophobicContact CE1-CD1 4.07Å; F2005-L2043 HydrophobicContact CE1-CD2 4.19Å; F2005-L2043 HydrophobicContact CE1-CG 4.35Å; L2029-L2043 HydrophobicContact CD2-CD2 4.01Å; L2029-L2043 HydrophobicContact CD2-CG 3.87Å; N2040-L2043 HydrophobicContact CB-CB 3.85Å; N2040-L2043 HydrophobicContact CB-CD2 4.4Å; N2040-L2043 PolarHBondContact O-N 2.61Å; N2040-L2043 WeakPolarHBondContact OD1-CB 3.36Å; N2040-L2043 PolarHBondContact OD1-N 3.38Å; N2040-L2043 VanDerWaalsContact OD1-N 3.12Å; V2041-L2043 VanDerWaalsContact C-N 3.34Å; V2041-L2043 PolarHBondContact O-N 2.94Å; L2043-S2046 PolarHBondContact O-N 3.13Å; L2043-V2047 HydrophobicContact CD1-CG2 4.27Å; L2043-V2047 VanDerWaalsContact O-CG2 3.32Å; L2043-V2047 WeakPolarHBondContact O-CG2 3.3Å; L2043-V2047 PolarHBondContact O-N 3.03Å |
| 2044 | L | 93.8 | Very high | 90 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -48.6 | 176.4 | 178.3 | 63.5 | 0 | 0 | 0 | 111.6 | L2029 N2040 V2041 S2046 V2047 V2048 L2094 F2095 | L2029-L2044 HydrophobicContact CD1-CD1 3.99Å; L2029-L2044 HydrophobicContact CD2-CB 4.41Å; N2040-L2044 WeakPolarHBondContact O-CB 3.49Å; N2040-L2044 PolarHBondContact O-N 3.08Å; V2041-L2044 PolarHBondContact O-N 2.75Å; L2044-S2046 VanDerWaalsContact C-N 3.28Å; L2044-S2046 PolarHBondContact O-N 2.74Å; L2044-V2047 PolarHBondContact O-N 3.18Å; L2044-V2048 HydrophobicContact CD1-CG2 4.24Å; L2044-V2048 VanDerWaalsContact O-CG2 3.29Å; L2044-V2048 WeakPolarHBondContact O-CG2 3.22Å; L2044-V2048 PolarHBondContact O-N 3.06Å; L2044-L2094 HydrophobicContact CD2-CB 3.75Å; L2044-F2095 HydrophobicContact CD1-CB 4.46Å; L2044-F2095 HydrophobicContact CD1-CD2 4.37Å; L2044-F2095 HydrophobicContact CD2-CB 4.28Å |
| 2045 | N | 93.5 | Very high | 90.7 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.2 | -42.1 | 176.8 | -71.9 | -16.1 | 0 | 0 | 0 | 111.6 | F1943 D1947 V2041 P2042 V2048 I2049 S2098 | F1943-N2045 HydrophobicContact CE2-CB 4.11Å; F1943-N2045 HydrophobicContact CZ-CB 3.9Å; D1947-N2045 WeakPolarHBondContact OD1-CB 3.17Å; D1947-N2045 PolarHBondContact OD1-ND2 3.05Å; V2041-N2045 WeakPolarHBondContact O-CB 3.36Å; V2041-N2045 PolarHBondContact O-N 3.39Å; P2042-N2045 PolarHBondContact O-N 3.28Å; N2045-V2048 PolarHBondContact O-N 3.12Å; N2045-I2049 WeakPolarHBondContact O-CG2 3.44Å; N2045-I2049 PolarHBondContact O-N 3.04Å; N2045-S2098 VanDerWaalsContact OD1-CB 3.27Å; N2045-S2098 WeakPolarHBondContact OD1-CB 3.23Å; N2045-S2098 PolarHBondContact OD1-OG 3.46Å |
| 2046 | S | 94.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.8 | -42.3 | 179.4 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | A1999 P2042 L2043 L2044 I2049 Y2050 | A1999-S2046 VanDerWaalsContact CB-OG 3.28Å; A1999-S2046 WeakPolarHBondContact CB-OG 3.26Å; P2042-S2046 WeakPolarHBondContact O-CB 3.32Å; P2042-S2046 PolarHBondContact O-N 2.69Å; P2042-S2046 PolarHBondContact O-OG 3.16Å; L2043-S2046 PolarHBondContact O-N 3.13Å; L2044-S2046 VanDerWaalsContact C-N 3.28Å; L2044-S2046 PolarHBondContact O-N 2.74Å; S2046-I2049 WeakPolarHBondContact O-CG2 3.22Å; S2046-Y2050 WeakPolarHBondContact O-CB 3.21Å; S2046-Y2050 PolarHBondContact O-N 3.48Å |
| 2047 | V | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.4 | -45.8 | 174.9 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | I2000 F2005 L2029 L2043 L2044 Y2050 V2051 | I2000-V2047 HydrophobicContact CD1-CG2 4.49Å; I2000-V2047 HydrophobicContact CG1-CG2 4.44Å; F2005-V2047 HydrophobicContact CE1-CG2 4.01Å; F2005-V2047 HydrophobicContact CZ-CG2 4.11Å; L2029-V2047 HydrophobicContact CD2-CG2 4.48Å; L2043-V2047 HydrophobicContact CD1-CG2 4.27Å; L2043-V2047 VanDerWaalsContact O-CG2 3.32Å; L2043-V2047 WeakPolarHBondContact O-CG2 3.3Å; L2043-V2047 PolarHBondContact O-N 3.03Å; L2044-V2047 PolarHBondContact O-N 3.18Å; V2047-Y2050 PolarHBondContact O-N 2.75Å; V2047-V2051 HydrophobicContact CG1-CG2 4.3Å; V2047-V2051 WeakPolarHBondContact O-CB 3.31Å; V2047-V2051 VanDerWaalsContact O-CG2 3.29Å; V2047-V2051 WeakPolarHBondContact O-CG2 3.28Å; V2047-V2051 PolarHBondContact O-N 3.22Å |
| 2048 | V | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.8 | -48.7 | -178.7 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | L2044 N2045 G2052 F2080 F2095 I2099 F2113 | L2044-V2048 HydrophobicContact CD1-CG2 4.24Å; L2044-V2048 VanDerWaalsContact O-CG2 3.29Å; L2044-V2048 WeakPolarHBondContact O-CG2 3.22Å; L2044-V2048 PolarHBondContact O-N 3.06Å; N2045-V2048 PolarHBondContact O-N 3.12Å; V2048-G2052 PolarHBondContact O-N 3.45Å; V2048-G2052 VanDerWaalsContact O-N 3.07Å; V2048-F2080 HydrophobicContact CG1-CE1 4.38Å; V2048-F2080 HydrophobicContact CG1-CZ 4.38Å; V2048-F2080 HydrophobicContact CG2-CE1 4.39Å; V2048-F2095 HydrophobicContact CG2-CD2 3.72Å; V2048-F2095 HydrophobicContact CG2-CE2 3.87Å; V2048-I2099 HydrophobicContact CG1-CG1 3.86Å; V2048-F2113 HydrophobicContact CG1-CE1 3.81Å; V2048-F2113 HydrophobicContact CG1-CZ 4.31Å |
| 2049 | I | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.7 | -38.3 | 179.2 | -166.4 | 52.7 | 0 | 0 | 0 | 111.7 | F1943 F1996 N2045 S2046 G2052 I2053 Q2102 F2113 | F1943-I2049 HydrophobicContact CD2-CG2 4.36Å; F1943-I2049 HydrophobicContact CE2-CB 3.98Å; F1943-I2049 HydrophobicContact CE2-CG1 4.48Å; F1943-I2049 HydrophobicContact CE2-CG2 3.54Å; F1943-I2049 HydrophobicContact CZ-CG2 3.93Å; F1996-I2049 HydrophobicContact CB-CG2 4.04Å; F1996-I2049 HydrophobicContact CD1-CG2 4.11Å; F1996-I2049 HydrophobicContact CD2-CG2 3.81Å; F1996-I2049 HydrophobicContact CE2-CG2 4.35Å; F1996-I2049 HydrophobicContact CG-CG2 3.69Å; N2045-I2049 WeakPolarHBondContact O-CG2 3.44Å; N2045-I2049 PolarHBondContact O-N 3.04Å; S2046-I2049 WeakPolarHBondContact O-CG2 3.22Å; I2049-G2052 PolarHBondContact O-N 2.97Å; I2049-I2053 HydrophobicContact CD1-CD1 4.02Å; I2049-I2053 HydrophobicContact CD1-CG1 4.2Å; I2049-I2053 HydrophobicContact CG1-CD1 3.77Å; I2049-I2053 HydrophobicContact CG1-CG1 4.39Å; I2049-I2053 WeakPolarHBondContact O-CB 3.49Å; I2049-I2053 VanDerWaalsContact O-CG1 3.27Å; I2049-I2053 WeakPolarHBondContact O-CG1 3.48Å; I2049-I2053 PolarHBondContact O-N 2.92Å; I2049-Q2102 HydrophobicContact CD1-CG 4.31Å; I2049-F2113 HydrophobicContact CD1-CE2 3.94Å; I2049-F2113 HydrophobicContact CD1-CZ 4.23Å |
| 2050 | Y | 94.7 | Very high | 92.8 | Very high | 15 Ų | 15 | 23.7 Ų | 23.7 | 6% | 0.059 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.9 | -49.6 | 179.1 | -177.3 | -97.4 | 0 | 0 | 0 | 112 | F1996 K1997 I2000 L2009 D2010 S2046 V2047 G2052 I2053 R2054 | F1996-Y2050 HydrophobicContact CD2-CD2 4.09Å; F1996-Y2050 AromaticContact CE2-CD2 3.82Å; F1996-Y2050 HydrophobicContact CE2-CD2 3.82Å; F1996-Y2050 HydrophobicContact CE2-CG 4.48Å; K1997-Y2050 HydrophobicContact CD-CE2 4.26Å; K1997-Y2050 HydrophobicContact CG-CD2 4.04Å; K1997-Y2050 HydrophobicContact CG-CE2 3.86Å; I2000-Y2050 HydrophobicContact CD1-CD1 4.06Å; I2000-Y2050 HydrophobicContact CD1-CD2 4.1Å; I2000-Y2050 HydrophobicContact CD1-CG 3.7Å; L2009-Y2050 HydrophobicContact CD2-CD1 3.62Å; L2009-Y2050 HydrophobicContact CD2-CE1 3.91Å; D2010-Y2050 WeakPolarHBondContact OD1-CE1 3.49Å; D2010-Y2050 VanDerWaalsContact OD1-CZ 3.29Å; D2010-Y2050 PolarHBondContact OD1-OH 3.08Å; D2010-Y2050 PolarHBondContact OD2-OH 3.16Å; S2046-Y2050 WeakPolarHBondContact O-CB 3.21Å; S2046-Y2050 PolarHBondContact O-N 3.48Å; V2047-Y2050 PolarHBondContact O-N 2.75Å; Y2050-G2052 VanDerWaalsContact C-N 3.34Å; Y2050-G2052 PolarHBondContact O-N 3.16Å; Y2050-I2053 PolarHBondContact O-N 3.06Å; Y2050-R2054 HydrophobicContact CE1-CG 4.31Å; Y2050-R2054 WeakPolarHBondContact O-CG 3.46Å; Y2050-R2054 PolarHBondContact O-N 2.68Å; Y2050-R2054 VanDerWaalsContact O-N 3.08Å |
| 2051 | V | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.3 | -43.7 | 177.2 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | L2009 V2047 R2054 A2055 H2076 I2079 F2080 | L2009-V2051 HydrophobicContact CD1-CG2 4.07Å; L2009-V2051 HydrophobicContact CD2-CG2 4.07Å; L2009-V2051 HydrophobicContact CG-CG2 4.43Å; V2047-V2051 HydrophobicContact CG1-CG2 4.3Å; V2047-V2051 WeakPolarHBondContact O-CB 3.31Å; V2047-V2051 VanDerWaalsContact O-CG2 3.29Å; V2047-V2051 WeakPolarHBondContact O-CG2 3.28Å; V2047-V2051 PolarHBondContact O-N 3.22Å; V2051-R2054 PolarHBondContact O-N 2.95Å; V2051-A2055 WeakPolarHBondContact O-CB 3.45Å; V2051-A2055 PolarHBondContact O-N 3.4Å; V2051-H2076 HydrophobicContact CG1-CB 3.86Å; V2051-H2076 PolarHBondContact O-CD2 3.18Å; V2051-I2079 HydrophobicContact CG1-CD1 4.28Å; V2051-I2079 HydrophobicContact CG2-CD1 4.13Å; V2051-F2080 HydrophobicContact CB-CE1 4.04Å; V2051-F2080 HydrophobicContact CB-CZ 3.94Å; V2051-F2080 HydrophobicContact CG1-CE1 3.91Å; V2051-F2080 HydrophobicContact CG1-CE2 4.24Å; V2051-F2080 HydrophobicContact CG1-CZ 3.72Å |
| 2052 | G | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.9 | -42 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V2048 I2049 Y2050 A2055 V2056 Y2112 | V2048-G2052 PolarHBondContact O-N 3.45Å; V2048-G2052 VanDerWaalsContact O-N 3.07Å; I2049-G2052 PolarHBondContact O-N 2.97Å; Y2050-G2052 VanDerWaalsContact C-N 3.34Å; Y2050-G2052 PolarHBondContact O-N 3.16Å; G2052-A2055 WeakPolarHBondContact O-CB 3.48Å; G2052-A2055 PolarHBondContact O-N 3.27Å; G2052-V2056 WeakPolarHBondContact O-CG2 3.34Å; G2052-V2056 PolarHBondContact O-N 2.86Å; G2052-Y2112 VanDerWaalsContact CA-CE1 3.49Å |
| 2053 | I | 93.1 | Very high | 92.4 | Very high | 11 Ų | 11 | 35 Ų | 35 | 6% | 0.056 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -42.9 | 176.8 | -70.6 | 167.9 | 0 | 0 | 0 | 111.2 | L1992 F1996 I2049 Y2050 A2055 V2056 K2057 H2109 | L1992-I2053 HydrophobicContact CD1-CD1 3.48Å; L1992-I2053 VanDerWaalsContact CD1-CD1 3.48Å; L1992-I2053 HydrophobicContact CD1-CG1 4.47Å; F1996-I2053 HydrophobicContact CE1-CD1 3.83Å; F1996-I2053 HydrophobicContact CE2-CD1 3.98Å; F1996-I2053 HydrophobicContact CZ-CD1 3.27Å; I2049-I2053 HydrophobicContact CD1-CD1 4.02Å; I2049-I2053 HydrophobicContact CD1-CG1 4.2Å; I2049-I2053 HydrophobicContact CG1-CD1 3.77Å; I2049-I2053 HydrophobicContact CG1-CG1 4.39Å; I2049-I2053 WeakPolarHBondContact O-CB 3.49Å; I2049-I2053 VanDerWaalsContact O-CG1 3.27Å; I2049-I2053 WeakPolarHBondContact O-CG1 3.48Å; I2049-I2053 PolarHBondContact O-N 2.92Å; Y2050-I2053 PolarHBondContact O-N 3.06Å; I2053-A2055 VanDerWaalsContact C-N 3.27Å; I2053-A2055 PolarHBondContact O-N 3.03Å; I2053-V2056 PolarHBondContact O-N 3.22Å; I2053-K2057 HydrophobicContact CG2-CD 4.12Å; I2053-K2057 WeakPolarHBondContact O-CG 3.41Å; I2053-K2057 PolarHBondContact O-N 3.34Å; I2053-H2109 VanDerWaalsContact CG1-CE1 3.45Å; I2053-H2109 WeakPolarHBondContact CG1-CE1 3.45Å |
| 2054 | R | 93.1 | Very high | 92 | Very high | 88 Ų | 88 | 38.9 Ų | 38.9 | 33% | 0.332 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.9 | -37.2 | 175.3 | -68.3 | -158.5 | 77.3 | -168.7 | 0.3 | 111.5 | D2010 L2013 Y2050 V2051 K2057 S2058 | D2010-R2054 IonicContact OD1-CZ 3.66Å; D2010-R2054 IonicContact OD1-NH1 3.89Å; D2010-R2054 PolarHBondContact OD1-NH1 2.92Å; L2013-R2054 HydrophobicContact CD1-CB 4.33Å; Y2050-R2054 HydrophobicContact CE1-CG 4.31Å; Y2050-R2054 WeakPolarHBondContact O-CG 3.46Å; Y2050-R2054 PolarHBondContact O-N 2.68Å; Y2050-R2054 VanDerWaalsContact O-N 3.08Å; V2051-R2054 PolarHBondContact O-N 2.95Å; R2054-K2057 PolarHBondContact O-N 3.44Å; R2054-S2058 WeakPolarHBondContact O-CB 3.34Å; R2054-S2058 PolarHBondContact O-N 3.44Å |
| 2055 | A | 93.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.6 | -49.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V2051 G2052 I2053 K2057 S2058 I2059 H2076 Y2112 | V2051-A2055 WeakPolarHBondContact O-CB 3.45Å; V2051-A2055 PolarHBondContact O-N 3.4Å; G2052-A2055 WeakPolarHBondContact O-CB 3.48Å; G2052-A2055 PolarHBondContact O-N 3.27Å; I2053-A2055 VanDerWaalsContact C-N 3.27Å; I2053-A2055 PolarHBondContact O-N 3.03Å; A2055-K2057 VanDerWaalsContact C-N 3.34Å; A2055-K2057 PolarHBondContact O-N 2.9Å; A2055-S2058 PolarHBondContact O-N 3.26Å; A2055-I2059 VanDerWaalsContact O-CG1 3.26Å; A2055-I2059 WeakPolarHBondContact O-CG1 3.38Å; A2055-I2059 PolarHBondContact O-N 3.28Å; A2055-H2076 HydrophobicContact CB-CB 3.73Å; A2055-H2076 VanDerWaalsContact CB-CG 3.47Å; A2055-H2076 PolarHBondContact N-CD2 3.13Å; A2055-H2076 PolarHBondContact N-NE2 3.29Å; A2055-Y2112 HydrophobicContact CB-CD2 4.29Å; A2055-Y2112 HydrophobicContact CB-CE1 4.09Å; A2055-Y2112 HydrophobicContact CB-CE2 3.44Å; A2055-Y2112 VanDerWaalsContact CB-CE2 3.44Å; A2055-Y2112 VanDerWaalsContact CB-OH 3.23Å; A2055-Y2112 WeakPolarHBondContact CB-OH 3.32Å |
| 2056 | V | 92.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.9 | -47.8 | 177 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | G2052 I2053 S2058 I2059 Q2060 Y2112 | G2052-V2056 WeakPolarHBondContact O-CG2 3.34Å; G2052-V2056 PolarHBondContact O-N 2.86Å; I2053-V2056 PolarHBondContact O-N 3.22Å; V2056-S2058 PolarHBondContact O-N 3.08Å; V2056-I2059 PolarHBondContact O-N 3.47Å; V2056-Q2060 HydrophobicContact CG1-CG 4.31Å; V2056-Q2060 WeakPolarHBondContact O-CB 3.34Å; V2056-Q2060 WeakPolarHBondContact O-CG 3.42Å; V2056-Q2060 PolarHBondContact O-N 3Å; V2056-Y2112 HydrophobicContact CG2-CD1 4.23Å; V2056-Y2112 HydrophobicContact CG2-CD2 4.18Å; V2056-Y2112 HydrophobicContact CG2-CG 3.71Å |
| 2057 | K | 91.6 | Very high | 90.3 | Very high | 99 Ų | 99 | 45.8 Ų | 45.8 | 43% | 0.43 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.3 | -40.7 | 177.5 | -72.2 | 179.2 | -178.6 | 174 | 0 | 112.4 | E1989 I2053 R2054 A2055 I2059 Q2060 A2061 | E1989-K2057 WeakPolarHBondContact OE1-CE 3.5Å; E1989-K2057 IonicContact OE1-NZ 3.61Å; E1989-K2057 PolarHBondContact OE1-NZ 3.37Å; E1989-K2057 WeakPolarHBondContact OE2-CE 3.1Å; E1989-K2057 IonicContact OE2-NZ 2.63Å; E1989-K2057 PolarHBondContact OE2-NZ 3.15Å; I2053-K2057 HydrophobicContact CG2-CD 4.12Å; I2053-K2057 WeakPolarHBondContact O-CG 3.41Å; I2053-K2057 PolarHBondContact O-N 3.34Å; R2054-K2057 PolarHBondContact O-N 3.44Å; A2055-K2057 VanDerWaalsContact C-N 3.34Å; A2055-K2057 PolarHBondContact O-N 2.9Å; K2057-I2059 VanDerWaalsContact C-N 3.3Å; K2057-I2059 PolarHBondContact O-N 2.96Å; K2057-Q2060 PolarHBondContact O-N 3.4Å; K2057-A2061 VanDerWaalsContact O-CB 3.28Å; K2057-A2061 WeakPolarHBondContact O-CB 3.3Å; K2057-A2061 PolarHBondContact O-N 2.82Å |
| 2058 | S | 91.1 | Very high | 89.8 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 33% | 0.329 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.1 | -32.8 | 176.4 | 179.9 | 0 | 0 | 0 | 0 | 113 | R2054 A2055 V2056 | R2054-S2058 WeakPolarHBondContact O-CB 3.34Å; R2054-S2058 PolarHBondContact O-N 3.44Å; A2055-S2058 PolarHBondContact O-N 3.26Å; V2056-S2058 PolarHBondContact O-N 3.08Å |
| 2059 | I | 90.3 | Very high | 89.2 | Confident | 13 Ų | 13 | 52.6 Ų | 52.6 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -76.6 | -46 | 178.1 | -67.7 | 164.5 | 0 | 0 | 0 | 109.9 | A2055 V2056 K2057 A2061 K2062 L2064 P2066 I2071 Y2112 | A2055-I2059 VanDerWaalsContact O-CG1 3.26Å; A2055-I2059 WeakPolarHBondContact O-CG1 3.38Å; A2055-I2059 PolarHBondContact O-N 3.28Å; V2056-I2059 PolarHBondContact O-N 3.47Å; K2057-I2059 VanDerWaalsContact C-N 3.3Å; K2057-I2059 PolarHBondContact O-N 2.96Å; I2059-A2061 VanDerWaalsContact C-N 3.32Å; I2059-A2061 PolarHBondContact O-N 3.12Å; I2059-K2062 WeakPolarHBondContact O-CB 3.47Å; I2059-K2062 PolarHBondContact O-N 3.05Å; I2059-L2064 HydrophobicContact CG2-CB 3.83Å; I2059-L2064 WeakPolarHBondContact CG2-O 3.17Å; I2059-L2064 PolarHBondContact O-N 3.36Å; I2059-P2066 HydrophobicContact CD1-CB 4.5Å; I2059-I2071 HydrophobicContact CD1-CG2 3.89Å; I2059-Y2112 HydrophobicContact CD1-CD2 4.14Å; I2059-Y2112 HydrophobicContact CD1-CE2 4.21Å |
| 2060 | Q | 88.6 | Confident | 88.7 | Confident | 60 Ų | 60 | 54.1 Ų | 54.1 | 28% | 0.28 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.4 | -36.5 | 176.6 | -73.3 | 175.1 | -17.8 | 0 | 0 | 112.4 | N1987 V2056 K2057 K2062 N2063 | N1987-Q2060 PolarHBondContact O-NE2 3.34Å; V2056-Q2060 HydrophobicContact CG1-CG 4.31Å; V2056-Q2060 WeakPolarHBondContact O-CB 3.34Å; V2056-Q2060 WeakPolarHBondContact O-CG 3.42Å; V2056-Q2060 PolarHBondContact O-N 3Å; K2057-Q2060 PolarHBondContact O-N 3.4Å; Q2060-K2062 PolarHBondContact O-N 3.28Å; Q2060-K2062 VanDerWaalsContact O-N 3.17Å; Q2060-N2063 WeakPolarHBondContact O-CA 3.5Å; Q2060-N2063 PolarHBondContact O-N 3.25Å |
| 2061 | A | 89.1 | Confident | 88.4 | Confident | 83 Ų | 83 | 53.4 Ų | 53.4 | 69% | 0.686 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K2057 I2059 N2063 | K2057-A2061 VanDerWaalsContact O-CB 3.28Å; K2057-A2061 WeakPolarHBondContact O-CB 3.3Å; K2057-A2061 PolarHBondContact O-N 2.82Å; I2059-A2061 VanDerWaalsContact C-N 3.32Å; I2059-A2061 PolarHBondContact O-N 3.12Å; A2061-N2063 VanDerWaalsContact C-N 3.31Å |
| 2062 | K | 88.3 | Confident | 87.8 | Confident | 143 Ų | 143 | 54.1 Ų | 54.1 | 62% | 0.622 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 7.4 | 173.3 | -62.9 | 175.5 | -177.7 | 177.5 | 0 | 112.6 | I2059 Q2060 L2064 | I2059-K2062 WeakPolarHBondContact O-CB 3.47Å; I2059-K2062 PolarHBondContact O-N 3.05Å; Q2060-K2062 PolarHBondContact O-N 3.28Å; Q2060-K2062 VanDerWaalsContact O-N 3.17Å; K2062-L2064 HydrophobicContact CB-CD1 3.95Å; K2062-L2064 HydrophobicContact CB-CG 4.03Å; K2062-L2064 HydrophobicContact CD-CD1 4.39Å; K2062-L2064 PolarHBondContact O-N 2.93Å |
| 2063 | N | 83.2 | Confident | 87.4 | Confident | 157 Ų | 157 | 61.5 Ų | 61.5 | 84% | 0.84 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 29.2 | -170.5 | -60.8 | -52.9 | 0 | 0 | 0 | 113.2 | Q2060 A2061 | Q2060-N2063 WeakPolarHBondContact O-CA 3.5Å; Q2060-N2063 PolarHBondContact O-N 3.25Å; A2061-N2063 VanDerWaalsContact C-N 3.31Å |
| 2064 | L | 84.7 | Confident | 87.3 | Confident | 94 Ų | 94 | 61.8 Ų | 61.8 | 49% | 0.492 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -100.9 | 161.7 | 176 | -65 | 173.9 | 0 | 0 | 0 | 109.9 | I2059 K2062 | I2059-L2064 HydrophobicContact CG2-CB 3.83Å; I2059-L2064 WeakPolarHBondContact CG2-O 3.17Å; I2059-L2064 PolarHBondContact O-N 3.36Å; K2062-L2064 HydrophobicContact CB-CD1 3.95Å; K2062-L2064 HydrophobicContact CB-CG 4.03Å; K2062-L2064 HydrophobicContact CD-CD1 4.39Å; K2062-L2064 PolarHBondContact O-N 2.93Å |
| 2065 | R | 82.1 | Confident | 87.3 | Confident | 100 Ų | 100 | 58 Ų | 58 | 38% | 0.377 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -101.6 | 149.4 | 170.4 | -62.7 | -174.3 | -176 | -172.1 | -0.6 | 109.7 | E1981 K1982 N1987 N2067 | E1981-R2065 PolarHBondContact O-NH1 3.4Å; K1982-R2065 VanDerWaalsContact CA-NH1 3.29Å; K1982-R2065 PolarHBondContact O-NH1 3.14Å; N1987-R2065 PolarHBondContact ND2-NE 3.35Å; N1987-R2065 PolarHBondContact ND2-NH1 3.02Å; N1987-R2065 PolarHBondContact ND2-NH2 3.38Å; N1987-R2065 WeakPolarHBondContact OD1-CD 3.44Å; N1987-R2065 WeakPolarHBondContact OD1-CG 3.25Å; R2065-N2067 PolarHBondContact O-N 3.18Å; R2065-N2067 VanDerWaalsContact O-N 3.15Å |
| 2066 | P | 81.7 | Confident | 87.3 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.013 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 118.1 | 171.4 | -20.2 | 31.7 | 0 | 0 | 0 | 110 | I2059 L2111 Y2112 | I2059-P2066 HydrophobicContact CD1-CB 4.5Å; P2066-L2111 HydrophobicContact CB-CD2 4.29Å; P2066-L2111 HydrophobicContact CB-CG 4.23Å; P2066-L2111 HydrophobicContact CG-CD2 4.34Å; P2066-Y2112 HydrophobicContact CB-CD2 4.25Å |
| 2067 | N | 83.2 | Confident | 87.4 | Confident | 48 Ų | 48 | 58.7 Ų | 58.7 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | trans | -146 | 169.7 | 170.4 | 67 | 10.4 | 0 | 0 | 0 | 108.7 | R2065 S2069 A2070 I2071 | R2065-N2067 PolarHBondContact O-N 3.18Å; R2065-N2067 VanDerWaalsContact O-N 3.15Å; N2067-S2069 VanDerWaalsContact C-N 3.29Å; N2067-S2069 PolarHBondContact O-N 3.12Å; N2067-S2069 PolarHBondContact OD1-OG 2.88Å; N2067-S2069 VanDerWaalsContact OD1-OG 3.13Å; N2067-A2070 PolarHBondContact O-N 2.93Å; N2067-A2070 WeakPolarHBondContact OD1-CB 3.42Å; N2067-A2070 PolarHBondContact OD1-N 3.48Å; N2067-I2071 WeakPolarHBondContact O-CG1 3.46Å; N2067-I2071 WeakPolarHBondContact O-CG2 3.45Å; N2067-I2071 PolarHBondContact O-N 2.68Å | ||
| 2068 | I | 83.1 | Confident | 87.5 | Confident | 54 Ų | 54 | 55.6 Ų | 55.6 | 28% | 0.277 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.5 | -37.9 | -173.9 | -66.6 | 173.7 | 0 | 0 | 0 | 112.4 | I2071 S2072 C2115 L2118 Y2119 Y2164 | I2068-I2071 VanDerWaalsContact O-CG1 3.3Å; I2068-I2071 WeakPolarHBondContact O-CG1 3.27Å; I2068-S2072 PolarHBondContact O-N 2.95Å; I2068-C2115 HydrophobicContact CG1-CB 4.24Å; I2068-L2118 HydrophobicContact CD1-CB 4.15Å; I2068-Y2119 HydrophobicContact CG2-CD2 3.76Å; I2068-Y2119 HydrophobicContact CG2-CG 4.47Å; I2068-Y2164 HydrophobicContact CD1-CE1 4.28Å; I2068-Y2164 WeakPolarHBondContact CD1-OH 3.42Å |
| 2069 | S | 83.7 | Confident | 87.7 | Confident | 90 Ų | 90 | 53.4 Ų | 53.4 | 63% | 0.629 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -74.3 | -30.5 | 179.8 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | N2067 S2072 | N2067-S2069 VanDerWaalsContact C-N 3.29Å; N2067-S2069 PolarHBondContact O-N 3.12Å; N2067-S2069 PolarHBondContact OD1-OG 2.88Å; N2067-S2069 VanDerWaalsContact OD1-OG 3.13Å; S2069-S2072 PolarHBondContact O-OG 2.98Å |
| 2070 | A | 83.9 | Confident | 87.9 | Confident | 31 Ų | 31 | 52.8 Ų | 52.8 | 26% | 0.256 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -74.9 | -27.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N2067 | N2067-A2070 PolarHBondContact O-N 2.93Å; N2067-A2070 WeakPolarHBondContact OD1-CB 3.42Å; N2067-A2070 PolarHBondContact OD1-N 3.48Å |
| 2071 | I | 88.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -90.5 | -30.2 | -177.6 | 66.8 | -177.9 | 0 | 0 | 0 | 113.7 | I2059 N2067 I2068 H2073 S2074 M2077 Y2112 C2115 | I2059-I2071 HydrophobicContact CD1-CG2 3.89Å; N2067-I2071 WeakPolarHBondContact O-CG1 3.46Å; N2067-I2071 WeakPolarHBondContact O-CG2 3.45Å; N2067-I2071 PolarHBondContact O-N 2.68Å; I2068-I2071 VanDerWaalsContact O-CG1 3.3Å; I2068-I2071 WeakPolarHBondContact O-CG1 3.27Å; I2071-H2073 PolarHBondContact O-N 3.27Å; I2071-S2074 WeakPolarHBondContact O-CB 3.42Å; I2071-S2074 PolarHBondContact O-N 3Å; I2071-S2074 PolarHBondContact O-OG 2.77Å; I2071-M2077 HydrophobicContact CB-CE 3.89Å; I2071-M2077 HydrophobicContact CD1-CE 3.61Å; I2071-M2077 HydrophobicContact CG1-CE 3.77Å; I2071-M2077 WeakPolarHBondContact O-CB 3.41Å; I2071-Y2112 HydrophobicContact CB-CE2 4.45Å; I2071-Y2112 HydrophobicContact CG2-CD2 3.84Å; I2071-Y2112 HydrophobicContact CG2-CE2 3.59Å; I2071-C2115 HydrophobicContact CD1-CB 3.74Å; I2071-C2115 WeakPolarHBondContact CD1-O 3.34Å |
| 2072 | S | 83 | Confident | 88.4 | Confident | 16 Ų | 16 | 50 Ų | 50 | 11% | 0.112 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.5 | -46.9 | -168.5 | 60.8 | 0 | 0 | 0 | 0 | 114.1 | I2068 S2069 S2074 Y2119 | I2068-S2072 PolarHBondContact O-N 2.95Å; S2069-S2072 PolarHBondContact O-OG 2.98Å; S2072-S2074 PolarHBondContact O-N 2.86Å; S2072-Y2119 VanDerWaalsContact CB-CE2 3.43Å |
| 2073 | H | 85.8 | Confident | 88.7 | Confident | 154 Ų | 154 | 43.3 Ų | 43.3 | 71% | 0.713 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 44.5 | -178.2 | -55.8 | -57.1 | 0 | 0 | 0 | 111.5 | R2016 I2071 | R2016-H2073 PolarHBondContact NH2-O 3.02Å; I2071-H2073 PolarHBondContact O-N 3.27Å |
| 2074 | S | 91.1 | Very high | 89.2 | Confident | 18 Ų | 18 | 36 Ų | 36 | 13% | 0.126 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -114.2 | 146.3 | -179.2 | 76.8 | 0 | 0 | 0 | 0 | 112.3 | I2071 S2072 H2076 M2077 D2078 | I2071-S2074 WeakPolarHBondContact O-CB 3.42Å; I2071-S2074 PolarHBondContact O-N 3Å; I2071-S2074 PolarHBondContact O-OG 2.77Å; S2072-S2074 PolarHBondContact O-N 2.86Å; S2074-H2076 PolarHBondContact O-N 3.47Å; S2074-H2076 VanDerWaalsContact O-N 3.13Å; S2074-M2077 PolarHBondContact O-N 2.79Å; S2074-M2077 PolarHBondContact OG-N 3.42Å; S2074-D2078 PolarHBondContact O-N 2.89Å; S2074-D2078 VanDerWaalsContact O-N 3.14Å |
| 2075 | A | 92.7 | Very high | 89.6 | Confident | 7 Ų | 7 | 35.4 Ų | 35.4 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.1 | -29.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L2013 R2016 | L2013-A2075 HydrophobicContact CD2-CB 4.31Å; R2016-A2075 HydrophobicContact CG-CB 3.7Å |
| 2076 | H | 95.2 | Very high | 90 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.5 | -39.8 | 175.8 | -49.6 | 87.6 | 0 | 0 | 0 | 111.7 | L2013 V2051 A2055 S2074 I2079 F2080 | L2013-H2076 HydrophobicContact CD2-CB 4.25Å; L2013-H2076 WeakPolarHBondContact CD2-CD2 3.44Å; V2051-H2076 HydrophobicContact CG1-CB 3.86Å; V2051-H2076 PolarHBondContact O-CD2 3.18Å; A2055-H2076 HydrophobicContact CB-CB 3.73Å; A2055-H2076 VanDerWaalsContact CB-CG 3.47Å; A2055-H2076 PolarHBondContact N-CD2 3.13Å; A2055-H2076 PolarHBondContact N-NE2 3.29Å; S2074-H2076 PolarHBondContact O-N 3.47Å; S2074-H2076 VanDerWaalsContact O-N 3.13Å; H2076-I2079 WeakPolarHBondContact O-CB 3.34Å; H2076-I2079 PolarHBondContact O-N 3.25Å; H2076-F2080 PolarHBondContact O-N 3.41Å |
| 2077 | M | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -73.1 | -34.9 | 178.6 | -171.2 | 56.2 | 69.2 | 0 | 0 | 112 | I2071 S2074 I2079 F2080 Q2081 T2116 Y2119 L2120 | I2071-M2077 HydrophobicContact CB-CE 3.89Å; I2071-M2077 HydrophobicContact CD1-CE 3.61Å; I2071-M2077 HydrophobicContact CG1-CE 3.77Å; I2071-M2077 WeakPolarHBondContact O-CB 3.41Å; S2074-M2077 PolarHBondContact O-N 2.79Å; S2074-M2077 PolarHBondContact OG-N 3.42Å; M2077-I2079 PolarHBondContact O-N 2.89Å; M2077-F2080 PolarHBondContact O-N 2.98Å; M2077-F2080 HydrophobicContact SD-CB 4.2Å; M2077-Q2081 HydrophobicContact CG-CG 4.15Å; M2077-Q2081 PolarHBondContact O-N 3.38Å; M2077-Q2081 HydrophobicContact SD-CG 4.31Å; M2077-T2116 HydrophobicContact CE-CG2 4.01Å; M2077-T2116 HydrophobicContact SD-CG2 4.47Å; M2077-Y2119 HydrophobicContact CE-CD1 3.73Å; M2077-Y2119 HydrophobicContact CE-CE1 4.36Å; M2077-Y2119 HydrophobicContact CE-CG 4.46Å; M2077-Y2119 HydrophobicContact CG-CD1 3.76Å; M2077-Y2119 HydrophobicContact CG-CE1 3.41Å; M2077-Y2119 VanDerWaalsContact CG-CE1 3.41Å; M2077-Y2119 HydrophobicContact SD-CD1 3.51Å; M2077-Y2119 VanDerWaalsContact SD-CD1 3.51Å; M2077-Y2119 HydrophobicContact SD-CE1 3.79Å; M2077-L2120 HydrophobicContact SD-CD2 4.26Å |
| 2078 | D | 93.3 | Very high | 91 | Very high | 35 Ų | 35 | 32.5 Ų | 32.5 | 19% | 0.187 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -53.1 | -39.6 | 173.1 | -57.3 | -17.9 | 0 | 0 | 0 | 111 | Y2012 R2016 L2022 S2074 N2082 | Y2012-D2078 HydrophobicContact CE1-CB 4.3Å; Y2012-D2078 PolarHBondContact OH-OD2 3.48Å; R2016-D2078 IonicContact NH1-OD2 2.91Å; L2022-D2078 HydrophobicContact CD1-CB 4.42Å; S2074-D2078 PolarHBondContact O-N 2.89Å; S2074-D2078 VanDerWaalsContact O-N 3.14Å; D2078-N2082 VanDerWaalsContact O-CB 3.22Å; D2078-N2082 WeakPolarHBondContact O-CB 3.36Å; D2078-N2082 PolarHBondContact O-N 3.04Å |
| 2079 | I | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.3 | -48.7 | 176.4 | -64.4 | 166.4 | 0 | 0 | 0 | 111.2 | L2009 Y2012 L2013 L2022 L2025 V2051 H2076 M2077 N2082 L2083 | L2009-I2079 HydrophobicContact CD1-CD1 3.68Å; Y2012-I2079 HydrophobicContact CD1-CD1 4.03Å; Y2012-I2079 HydrophobicContact CD1-CG1 3.99Å; Y2012-I2079 HydrophobicContact CE1-CD1 4.41Å; Y2012-I2079 HydrophobicContact CE1-CG1 3.94Å; L2013-I2079 HydrophobicContact CD2-CD1 3.51Å; L2013-I2079 HydrophobicContact CG-CD1 4.06Å; L2022-I2079 HydrophobicContact CD2-CB 4.45Å; L2022-I2079 HydrophobicContact CD2-CG1 3.84Å; L2025-I2079 HydrophobicContact CD2-CG2 3.76Å; V2051-I2079 HydrophobicContact CG1-CD1 4.28Å; V2051-I2079 HydrophobicContact CG2-CD1 4.13Å; H2076-I2079 WeakPolarHBondContact O-CB 3.34Å; H2076-I2079 PolarHBondContact O-N 3.25Å; M2077-I2079 PolarHBondContact O-N 2.89Å; I2079-N2082 PolarHBondContact O-N 3.48Å; I2079-L2083 HydrophobicContact CG2-CD1 4.23Å; I2079-L2083 WeakPolarHBondContact O-CG 3.48Å; I2079-L2083 PolarHBondContact O-N 3.1Å |
| 2080 | F | 96.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.6 | -37.4 | -178.2 | -70.4 | -22.1 | 0 | 0 | 0 | 113.2 | V2048 V2051 H2076 M2077 L2083 A2084 F2095 Y2112 F2113 T2116 L2120 | V2048-F2080 HydrophobicContact CG1-CE1 4.38Å; V2048-F2080 HydrophobicContact CG1-CZ 4.38Å; V2048-F2080 HydrophobicContact CG2-CE1 4.39Å; V2051-F2080 HydrophobicContact CB-CE1 4.04Å; V2051-F2080 HydrophobicContact CB-CZ 3.94Å; V2051-F2080 HydrophobicContact CG1-CE1 3.91Å; V2051-F2080 HydrophobicContact CG1-CE2 4.24Å; V2051-F2080 HydrophobicContact CG1-CZ 3.72Å; H2076-F2080 PolarHBondContact O-N 3.41Å; M2077-F2080 PolarHBondContact O-N 2.98Å; M2077-F2080 HydrophobicContact SD-CB 4.2Å; F2080-L2083 HydrophobicContact CD1-CD1 4.47Å; F2080-L2083 PolarHBondContact O-N 3.01Å; F2080-A2084 WeakPolarHBondContact O-CB 3.5Å; F2080-A2084 PolarHBondContact O-N 2.91Å; F2080-F2095 HydrophobicContact CB-CZ 3.93Å; F2080-F2095 AromaticContact CD1-CE2 3.71Å; F2080-F2095 HydrophobicContact CD1-CE2 3.71Å; F2080-F2095 AromaticContact CD1-CZ 3.85Å; F2080-F2095 HydrophobicContact CD1-CZ 3.85Å; F2080-F2095 HydrophobicContact CE1-CE2 4.21Å; F2080-F2095 HydrophobicContact CG-CE2 4.38Å; F2080-F2095 HydrophobicContact CG-CZ 4.08Å; F2080-Y2112 HydrophobicContact CE2-CE1 4.01Å; F2080-F2113 HydrophobicContact CE2-CE1 4.26Å; F2080-F2113 HydrophobicContact CZ-CE1 4.1Å; F2080-T2116 HydrophobicContact CD2-CG2 3.62Å; F2080-T2116 HydrophobicContact CE2-CG2 4.1Å; F2080-T2116 HydrophobicContact CG-CG2 4.48Å; F2080-L2120 HydrophobicContact CB-CD1 4.47Å |
| 2081 | Q | 94 | Very high | 92.2 | Very high | 57 Ų | 57 | 29.2 Ų | 29.2 | 27% | 0.266 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.9 | -44.4 | 172.3 | -74.1 | -179.7 | -46 | 0 | 0 | 111.2 | M2077 A2084 V2085 Y2119 L2120 | M2077-Q2081 HydrophobicContact CG-CG 4.15Å; M2077-Q2081 PolarHBondContact O-N 3.38Å; M2077-Q2081 HydrophobicContact SD-CG 4.31Å; Q2081-A2084 PolarHBondContact O-N 2.67Å; Q2081-V2085 WeakPolarHBondContact O-CG2 3.35Å; Q2081-V2085 PolarHBondContact O-N 2.89Å; Q2081-V2085 VanDerWaalsContact O-N 3.09Å; Q2081-Y2119 HydrophobicContact CG-CE1 4.41Å; Q2081-Y2119 VanDerWaalsContact NE2-CE1 3.33Å; Q2081-Y2119 PolarHBondContact NE2-OH 3.38Å; Q2081-L2120 HydrophobicContact CG-CD2 3.83Å |
| 2082 | N | 92.6 | Very high | 92.6 | Very high | 29 Ų | 29 | 31 Ų | 31 | 16% | 0.155 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.3 | -44 | 176.5 | -178.5 | -98.7 | 0 | 0 | 0 | 111.8 | L2022 D2078 I2079 A2084 V2085 D2086 | L2022-N2082 HydrophobicContact CB-CB 4.48Å; L2022-N2082 HydrophobicContact CD1-CB 4.34Å; L2022-N2082 HydrophobicContact CD2-CB 4.34Å; L2022-N2082 PolarHBondContact O-OD1 2.77Å; D2078-N2082 VanDerWaalsContact O-CB 3.22Å; D2078-N2082 WeakPolarHBondContact O-CB 3.36Å; D2078-N2082 PolarHBondContact O-N 3.04Å; I2079-N2082 PolarHBondContact O-N 3.48Å; N2082-A2084 PolarHBondContact O-N 3.02Å; N2082-V2085 PolarHBondContact O-N 3.43Å; N2082-D2086 PolarHBondContact ND2-OD2 3.17Å; N2082-D2086 VanDerWaalsContact O-CB 3.31Å; N2082-D2086 WeakPolarHBondContact O-CB 3.48Å; N2082-D2086 PolarHBondContact O-N 3.35Å; N2082-D2086 PolarHBondContact OD1-OD2 3.3Å |
| 2083 | L | 94.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.4 | -40.9 | 173.9 | -73.3 | 177.8 | 0 | 0 | 0 | 112.7 | L2025 L2029 I2079 F2080 V2085 L2087 F2095 | L2025-L2083 HydrophobicContact CD2-CD1 4.09Å; L2025-L2083 HydrophobicContact CD2-CD2 3.43Å; L2025-L2083 VanDerWaalsContact CD2-CD2 3.43Å; L2025-L2083 HydrophobicContact CD2-CG 3.62Å; L2025-L2083 HydrophobicContact CG-CD2 3.78Å; L2025-L2083 HydrophobicContact CG-CG 4.5Å; L2029-L2083 HydrophobicContact CD1-CD2 3.67Å; I2079-L2083 HydrophobicContact CG2-CD1 4.23Å; I2079-L2083 WeakPolarHBondContact O-CG 3.48Å; I2079-L2083 PolarHBondContact O-N 3.1Å; F2080-L2083 HydrophobicContact CD1-CD1 4.47Å; F2080-L2083 PolarHBondContact O-N 3.01Å; L2083-V2085 VanDerWaalsContact C-N 3.25Å; L2083-V2085 PolarHBondContact O-N 3.08Å; L2083-L2087 HydrophobicContact CB-CD1 4.15Å; L2083-L2087 HydrophobicContact CD2-CD1 4.09Å; L2083-L2087 HydrophobicContact CD2-CG 4.25Å; L2083-L2087 VanDerWaalsContact O-CB 3.27Å; L2083-L2087 WeakPolarHBondContact O-CB 3.21Å; L2083-L2087 WeakPolarHBondContact O-CD1 3.41Å; L2083-L2087 WeakPolarHBondContact O-CG 3.17Å; L2083-L2087 PolarHBondContact O-N 3.27Å; L2083-F2095 HydrophobicContact CB-CD1 4.45Å; L2083-F2095 HydrophobicContact CB-CD2 4.33Å; L2083-F2095 HydrophobicContact CB-CE1 4.25Å; L2083-F2095 HydrophobicContact CB-CE2 4.13Å; L2083-F2095 HydrophobicContact CB-CG 4.48Å; L2083-F2095 HydrophobicContact CB-CZ 4.08Å; L2083-F2095 HydrophobicContact CD1-CD2 4.01Å; L2083-F2095 HydrophobicContact CD1-CE2 3.78Å; L2083-F2095 HydrophobicContact CD1-CZ 4.45Å |
| 2084 | A | 94.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 3% | 0.025 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.2 | -29.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F2080 Q2081 N2082 R2092 F2095 F2096 L2120 I2129 | F2080-A2084 WeakPolarHBondContact O-CB 3.5Å; F2080-A2084 PolarHBondContact O-N 2.91Å; Q2081-A2084 PolarHBondContact O-N 2.67Å; N2082-A2084 PolarHBondContact O-N 3.02Å; A2084-R2092 WeakPolarHBondContact O-CD 3.18Å; A2084-F2095 HydrophobicContact CB-CE1 4.13Å; A2084-F2096 HydrophobicContact CB-CE1 4.41Å; A2084-F2096 HydrophobicContact CB-CZ 4.27Å; A2084-L2120 HydrophobicContact CB-CD2 4.36Å; A2084-I2129 HydrophobicContact CB-CD1 4.49Å; A2084-I2129 WeakPolarHBondContact O-CD1 3.48Å |
| 2085 | V | 92.6 | Very high | 93.8 | Very high | 83 Ų | 83 | 25 Ų | 25 | 50% | 0.503 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -91.9 | -45.9 | -179.2 | 175.2 | 0 | 0 | 0 | 0 | 112 | Q2081 N2082 L2083 I2129 | Q2081-V2085 WeakPolarHBondContact O-CG2 3.35Å; Q2081-V2085 PolarHBondContact O-N 2.89Å; Q2081-V2085 VanDerWaalsContact O-N 3.09Å; N2082-V2085 PolarHBondContact O-N 3.43Å; L2083-V2085 VanDerWaalsContact C-N 3.25Å; L2083-V2085 PolarHBondContact O-N 3.08Å; V2085-I2129 HydrophobicContact CG2-CD1 4.41Å |
| 2086 | D | 90.9 | Very high | 94 | Very high | 59 Ų | 59 | 24.7 Ų | 24.7 | 32% | 0.316 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -82.2 | -27.2 | -167.8 | -72.2 | -3.5 | 0 | 0 | 0 | 113.4 | R2026 N2082 | R2026-D2086 WeakPolarHBondContact CD-O 3.14Å; R2026-D2086 PolarHBondContact NH1-O 3.41Å; N2082-D2086 PolarHBondContact ND2-OD2 3.17Å; N2082-D2086 VanDerWaalsContact O-CB 3.31Å; N2082-D2086 WeakPolarHBondContact O-CB 3.48Å; N2082-D2086 PolarHBondContact O-N 3.35Å; N2082-D2086 PolarHBondContact OD1-OD2 3.3Å |
| 2087 | L | 93.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -69.9 | 146.5 | 177.1 | -66.3 | 175.9 | 0 | 0 | 0 | 111.2 | R2026 Y2039 L2083 R2092 F2095 | R2026-L2087 HydrophobicContact CB-CD2 4.42Å; R2026-L2087 HydrophobicContact CG-CD2 4.18Å; Y2039-L2087 HydrophobicContact CD1-CD2 4.19Å; Y2039-L2087 HydrophobicContact CE1-CD2 3.44Å; Y2039-L2087 VanDerWaalsContact CE1-CD2 3.44Å; L2083-L2087 HydrophobicContact CB-CD1 4.15Å; L2083-L2087 HydrophobicContact CD2-CD1 4.09Å; L2083-L2087 HydrophobicContact CD2-CG 4.25Å; L2083-L2087 VanDerWaalsContact O-CB 3.27Å; L2083-L2087 WeakPolarHBondContact O-CB 3.21Å; L2083-L2087 WeakPolarHBondContact O-CD1 3.41Å; L2083-L2087 WeakPolarHBondContact O-CG 3.17Å; L2083-L2087 PolarHBondContact O-N 3.27Å; L2087-R2092 HydrophobicContact CB-CG 3.76Å; L2087-R2092 PolarHBondContact O-NH1 3.04Å; L2087-F2095 HydrophobicContact CD1-CB 3.89Å; L2087-F2095 HydrophobicContact CD1-CG 4.38Å |
| 2088 | D | 91.4 | Very high | 94.1 | Very high | 28 Ų | 28 | 24.1 Ų | 24.1 | 15% | 0.15 | 13% | 0.129 | C | C | . | . | trans | -73.1 | 179 | 170.2 | 70 | -4.9 | 0 | 0 | 0 | 111.7 | K2038 Y2039 E2090 G2091 R2092 | K2038-D2088 WeakPolarHBondContact CD-OD2 3.46Å; K2038-D2088 IonicContact NZ-OD2 3.94Å; K2038-D2088 PolarHBondContact NZ-OD2 3.49Å; Y2039-D2088 WeakPolarHBondContact CE2-OD1 3.44Å; Y2039-D2088 PolarHBondContact OH-N 3.29Å; Y2039-D2088 PolarHBondContact OH-OD1 3.41Å; D2088-E2090 VanDerWaalsContact C-N 3.28Å; D2088-E2090 PolarHBondContact O-N 3.05Å; D2088-G2091 PolarHBondContact O-N 3.23Å; D2088-G2091 VanDerWaalsContact O-N 3.17Å; D2088-G2091 PolarHBondContact OD1-N 3.3Å; D2088-R2092 WeakPolarHBondContact O-CB 3.12Å; D2088-R2092 WeakPolarHBondContact O-CG 3.32Å; D2088-R2092 PolarHBondContact O-N 2.84Å | ||
| 2089 | S | 91.2 | Very high | 94.3 | Very high | 71 Ų | 71 | 22.4 Ų | 22.4 | 50% | 0.497 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -57.6 | -38.3 | -175.3 | 52 | 0 | 0 | 0 | 0 | 113.7 | Y2093 Q2132 | S2089-Y2093 WeakPolarHBondContact O-CB 3.46Å; S2089-Y2093 PolarHBondContact O-N 3.41Å; S2089-Y2093 VanDerWaalsContact O-N 3.12Å; S2089-Q2132 PolarHBondContact O-NE2 3.17Å |
| 2090 | E | 92.2 | Very high | 94.4 | Very high | 34 Ų | 34 | 22.6 Ų | 22.6 | 16% | 0.159 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.5 | -50.2 | 175.3 | -178.1 | -177.3 | 154 | 0 | 0 | 110.9 | G2036 R2037 K2038 Y2039 D2088 R2092 Y2093 L2094 | G2036-E2090 VanDerWaalsContact C-OE1 3.25Å; G2036-E2090 WeakPolarHBondContact CA-OE1 3.35Å; G2036-E2090 PolarHBondContact N-OE1 2.92Å; G2036-E2090 VanDerWaalsContact N-OE1 3.09Å; G2036-E2090 PolarHBondContact N-OE2 3.44Å; R2037-E2090 PolarHBondContact N-OE1 3.27Å; K2038-E2090 WeakPolarHBondContact CD-OE2 3.36Å; K2038-E2090 WeakPolarHBondContact CG-OE2 3.43Å; K2038-E2090 PolarHBondContact N-OE1 3.43Å; K2038-E2090 VanDerWaalsContact N-OE1 3.09Å; Y2039-E2090 HydrophobicContact CD2-CG 4.31Å; Y2039-E2090 HydrophobicContact CE2-CB 4.34Å; Y2039-E2090 HydrophobicContact CE2-CG 4.45Å; D2088-E2090 VanDerWaalsContact C-N 3.28Å; D2088-E2090 PolarHBondContact O-N 3.05Å; E2090-R2092 PolarHBondContact O-N 2.88Å; E2090-Y2093 PolarHBondContact O-N 3.4Å; E2090-L2094 HydrophobicContact CG-CD1 4.22Å; E2090-L2094 WeakPolarHBondContact O-CG 3.5Å; E2090-L2094 PolarHBondContact O-N 3.1Å |
| 2091 | G | 94.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.1 | -42.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y2039 D2088 L2094 F2095 | Y2039-G2091 VanDerWaalsContact CE2-N 3.26Å; D2088-G2091 PolarHBondContact O-N 3.23Å; D2088-G2091 VanDerWaalsContact O-N 3.17Å; D2088-G2091 PolarHBondContact OD1-N 3.3Å; G2091-L2094 PolarHBondContact O-N 3.08Å; G2091-F2095 WeakPolarHBondContact O-CB 3.5Å; G2091-F2095 PolarHBondContact O-N 3.49Å |
| 2092 | R | 95.4 | Very high | 94.4 | Very high | 39 Ų | 39 | 20.2 Ų | 20.2 | 15% | 0.147 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.8 | -43.4 | 177.1 | -71.9 | -169.8 | -54.5 | -108.5 | 10.3 | 112.6 | A2084 L2087 D2088 E2090 L2094 F2095 F2096 | A2084-R2092 WeakPolarHBondContact O-CD 3.18Å; L2087-R2092 HydrophobicContact CB-CG 3.76Å; L2087-R2092 PolarHBondContact O-NH1 3.04Å; D2088-R2092 WeakPolarHBondContact O-CB 3.12Å; D2088-R2092 WeakPolarHBondContact O-CG 3.32Å; D2088-R2092 PolarHBondContact O-N 2.84Å; E2090-R2092 PolarHBondContact O-N 2.88Å; R2092-L2094 VanDerWaalsContact C-N 3.29Å; R2092-L2094 PolarHBondContact O-N 3.16Å; R2092-F2095 PolarHBondContact O-N 3.17Å; R2092-F2096 HydrophobicContact CB-CD2 4.42Å; R2092-F2096 HydrophobicContact CB-CE2 3.98Å; R2092-F2096 WeakPolarHBondContact O-CD2 3.19Å; R2092-F2096 WeakPolarHBondContact O-CG 3.38Å; R2092-F2096 PolarHBondContact O-N 3.15Å |
| 2093 | Y | 95 | Very high | 94.6 | Very high | 45 Ų | 45 | 18.8 Ų | 18.8 | 18% | 0.176 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.6 | -42 | 175.9 | 179.3 | -96 | 0 | 0 | 0 | 111.6 | S2089 E2090 N2097 V2136 E2139 | S2089-Y2093 WeakPolarHBondContact O-CB 3.46Å; S2089-Y2093 PolarHBondContact O-N 3.41Å; S2089-Y2093 VanDerWaalsContact O-N 3.12Å; E2090-Y2093 PolarHBondContact O-N 3.4Å; Y2093-N2097 VanDerWaalsContact CE1-ND2 3.27Å; Y2093-N2097 WeakPolarHBondContact CE1-ND2 3.41Å; Y2093-N2097 VanDerWaalsContact CZ-ND2 3.29Å; Y2093-N2097 WeakPolarHBondContact O-CB 3.24Å; Y2093-N2097 PolarHBondContact O-N 2.82Å; Y2093-N2097 PolarHBondContact O-ND2 3.36Å; Y2093-V2136 HydrophobicContact CD2-CG2 3.59Å; Y2093-V2136 HydrophobicContact CE2-CG2 3.61Å; Y2093-V2136 HydrophobicContact CG-CG2 4.49Å; Y2093-E2139 WeakPolarHBondContact CE2-OE2 3.46Å; Y2093-E2139 PolarHBondContact OH-OE2 3.12Å |
| 2094 | L | 94.3 | Very high | 94.6 | Very high | 16 Ų | 16 | 19 Ų | 19 | 8% | 0.084 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.7 | -45.9 | 175 | -66.9 | 168.7 | 0 | 0 | 0 | 111.5 | T1951 Y2039 V2041 L2044 E2090 G2091 R2092 N2097 S2098 | T1951-L2094 HydrophobicContact CG2-CD2 4.06Å; Y2039-L2094 HydrophobicContact CD2-CD1 4.08Å; Y2039-L2094 HydrophobicContact CG-CD1 4.38Å; V2041-L2094 HydrophobicContact CG2-CD1 3.94Å; V2041-L2094 HydrophobicContact CG2-CD2 3.9Å; V2041-L2094 HydrophobicContact CG2-CG 4.48Å; L2044-L2094 HydrophobicContact CD2-CB 3.75Å; E2090-L2094 HydrophobicContact CG-CD1 4.22Å; E2090-L2094 WeakPolarHBondContact O-CG 3.5Å; E2090-L2094 PolarHBondContact O-N 3.1Å; G2091-L2094 PolarHBondContact O-N 3.08Å; R2092-L2094 VanDerWaalsContact C-N 3.29Å; R2092-L2094 PolarHBondContact O-N 3.16Å; L2094-N2097 CarbonylContact O-C 3.58Å; L2094-N2097 WeakPolarHBondContact O-CB 3.33Å; L2094-N2097 PolarHBondContact O-N 3.15Å; L2094-S2098 PolarHBondContact O-N 3.33Å; L2094-S2098 PolarHBondContact O-OG 2.82Å |
| 2095 | F | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.5 | -47.6 | 178.8 | 167.2 | -116.3 | 0 | 0 | 0 | 112.7 | L2044 V2048 F2080 L2083 A2084 L2087 G2091 R2092 N2097 S2098 I2099 L2120 | L2044-F2095 HydrophobicContact CD1-CB 4.46Å; L2044-F2095 HydrophobicContact CD1-CD2 4.37Å; L2044-F2095 HydrophobicContact CD2-CB 4.28Å; V2048-F2095 HydrophobicContact CG2-CD2 3.72Å; V2048-F2095 HydrophobicContact CG2-CE2 3.87Å; F2080-F2095 HydrophobicContact CB-CZ 3.93Å; F2080-F2095 AromaticContact CD1-CE2 3.71Å; F2080-F2095 HydrophobicContact CD1-CE2 3.71Å; F2080-F2095 AromaticContact CD1-CZ 3.85Å; F2080-F2095 HydrophobicContact CD1-CZ 3.85Å; F2080-F2095 HydrophobicContact CE1-CE2 4.21Å; F2080-F2095 HydrophobicContact CG-CE2 4.38Å; F2080-F2095 HydrophobicContact CG-CZ 4.08Å; L2083-F2095 HydrophobicContact CB-CD1 4.45Å; L2083-F2095 HydrophobicContact CB-CD2 4.33Å; L2083-F2095 HydrophobicContact CB-CE1 4.25Å; L2083-F2095 HydrophobicContact CB-CE2 4.13Å; L2083-F2095 HydrophobicContact CB-CG 4.48Å; L2083-F2095 HydrophobicContact CB-CZ 4.08Å; L2083-F2095 HydrophobicContact CD1-CD2 4.01Å; L2083-F2095 HydrophobicContact CD1-CE2 3.78Å; L2083-F2095 HydrophobicContact CD1-CZ 4.45Å; A2084-F2095 HydrophobicContact CB-CE1 4.13Å; L2087-F2095 HydrophobicContact CD1-CB 3.89Å; L2087-F2095 HydrophobicContact CD1-CG 4.38Å; G2091-F2095 WeakPolarHBondContact O-CB 3.5Å; G2091-F2095 PolarHBondContact O-N 3.49Å; R2092-F2095 PolarHBondContact O-N 3.17Å; F2095-N2097 VanDerWaalsContact C-N 3.32Å; F2095-N2097 PolarHBondContact O-N 2.73Å; F2095-S2098 VanDerWaalsContact O-CB 3.28Å; F2095-S2098 WeakPolarHBondContact O-CB 3.35Å; F2095-S2098 PolarHBondContact O-N 3.43Å; F2095-S2098 VanDerWaalsContact O-N 3.1Å; F2095-I2099 HydrophobicContact CD1-CD1 4.42Å; F2095-I2099 HydrophobicContact CD2-CD1 4.33Å; F2095-I2099 HydrophobicContact CE1-CD1 3.82Å; F2095-I2099 HydrophobicContact CE2-CD1 3.7Å; F2095-I2099 HydrophobicContact CE2-CG1 4.2Å; F2095-I2099 HydrophobicContact CZ-CD1 3.42Å; F2095-I2099 VanDerWaalsContact CZ-CD1 3.42Å; F2095-I2099 HydrophobicContact CZ-CG1 4.41Å; F2095-I2099 PolarHBondContact O-N 3.49Å; F2095-I2099 VanDerWaalsContact O-N 3.07Å; F2095-L2120 HydrophobicContact CE1-CD1 4.25Å; F2095-L2120 HydrophobicContact CZ-CD1 4.39Å |
| 2096 | F | 97.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 0% | 0.004 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65 | -37 | 175.8 | -63 | -43.2 | 0 | 0 | 0 | 111.6 | A2084 R2092 S2098 I2099 V2100 L2117 L2120 I2129 Q2132 I2133 V2136 | A2084-F2096 HydrophobicContact CB-CE1 4.41Å; A2084-F2096 HydrophobicContact CB-CZ 4.27Å; R2092-F2096 HydrophobicContact CB-CD2 4.42Å; R2092-F2096 HydrophobicContact CB-CE2 3.98Å; R2092-F2096 WeakPolarHBondContact O-CD2 3.19Å; R2092-F2096 WeakPolarHBondContact O-CG 3.38Å; R2092-F2096 PolarHBondContact O-N 3.15Å; F2096-S2098 VanDerWaalsContact C-N 3.32Å; F2096-S2098 PolarHBondContact O-N 3.32Å; F2096-I2099 HydrophobicContact CD1-CD1 4.45Å; F2096-I2099 PolarHBondContact O-N 3.42Å; F2096-V2100 WeakPolarHBondContact O-CB 3.33Å; F2096-V2100 VanDerWaalsContact O-CG2 3.3Å; F2096-V2100 WeakPolarHBondContact O-CG2 3.04Å; F2096-V2100 PolarHBondContact O-N 3.01Å; F2096-L2117 HydrophobicContact CD1-CD2 4.3Å; F2096-L2120 HydrophobicContact CE1-CD1 4.35Å; F2096-I2129 HydrophobicContact CE2-CG2 4.4Å; F2096-I2129 HydrophobicContact CZ-CG2 3.79Å; F2096-Q2132 HydrophobicContact CD2-CB 4.06Å; F2096-Q2132 HydrophobicContact CE2-CB 3.99Å; F2096-I2133 HydrophobicContact CD1-CD1 4.46Å; F2096-I2133 HydrophobicContact CD1-CG1 3.84Å; F2096-I2133 HydrophobicContact CD2-CG1 4Å; F2096-I2133 HydrophobicContact CE1-CD1 4Å; F2096-I2133 HydrophobicContact CE1-CG1 3.75Å; F2096-I2133 HydrophobicContact CE2-CG1 3.92Å; F2096-I2133 HydrophobicContact CG-CG1 4Å; F2096-I2133 HydrophobicContact CZ-CD1 4.15Å; F2096-I2133 HydrophobicContact CZ-CG1 3.82Å; F2096-V2136 HydrophobicContact CB-CG2 4.15Å |
| 2097 | N | 95.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.011 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.2 | -38.6 | 170.7 | -92.3 | -83.1 | 0 | 0 | 0 | 112.5 | T1951 Y2093 L2094 F2095 I2099 V2100 N2101 R2140 | T1951-N2097 HydrophobicContact CG2-CB 4.1Å; Y2093-N2097 VanDerWaalsContact CE1-ND2 3.27Å; Y2093-N2097 WeakPolarHBondContact CE1-ND2 3.41Å; Y2093-N2097 VanDerWaalsContact CZ-ND2 3.29Å; Y2093-N2097 WeakPolarHBondContact O-CB 3.24Å; Y2093-N2097 PolarHBondContact O-N 2.82Å; Y2093-N2097 PolarHBondContact O-ND2 3.36Å; L2094-N2097 CarbonylContact O-C 3.58Å; L2094-N2097 WeakPolarHBondContact O-CB 3.33Å; L2094-N2097 PolarHBondContact O-N 3.15Å; F2095-N2097 VanDerWaalsContact C-N 3.32Å; F2095-N2097 PolarHBondContact O-N 2.73Å; N2097-I2099 VanDerWaalsContact C-N 3.32Å; N2097-I2099 PolarHBondContact O-N 3.03Å; N2097-V2100 PolarHBondContact O-N 2.94Å; N2097-N2101 WeakPolarHBondContact O-CB 3.3Å; N2097-N2101 PolarHBondContact O-N 2.64Å; N2097-N2101 PolarHBondContact O-ND2 2.96Å; N2097-N2101 PolarHBondContact O-OD1 3.46Å; N2097-R2140 PolarHBondContact OD1-NH2 2.94Å |
| 2098 | S | 96 | Very high | 94.5 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.007 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.7 | -39.5 | 175.7 | -53.4 | 0 | 0 | 0 | 0 | 112.1 | N2045 L2094 F2095 F2096 Q2102 | N2045-S2098 VanDerWaalsContact OD1-CB 3.27Å; N2045-S2098 WeakPolarHBondContact OD1-CB 3.23Å; N2045-S2098 PolarHBondContact OD1-OG 3.46Å; L2094-S2098 PolarHBondContact O-N 3.33Å; L2094-S2098 PolarHBondContact O-OG 2.82Å; F2095-S2098 VanDerWaalsContact O-CB 3.28Å; F2095-S2098 WeakPolarHBondContact O-CB 3.35Å; F2095-S2098 PolarHBondContact O-N 3.43Å; F2095-S2098 VanDerWaalsContact O-N 3.1Å; F2096-S2098 VanDerWaalsContact C-N 3.32Å; F2096-S2098 PolarHBondContact O-N 3.32Å; S2098-Q2102 PolarHBondContact O-NE2 3.12Å; S2098-Q2102 VanDerWaalsContact O-NE2 3.15Å |
| 2099 | I | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -69.4 | -48.5 | 174.4 | -66.2 | 168.3 | 0 | 0 | 0 | 110.8 | V2048 F2095 F2096 N2097 N2101 Q2102 F2113 T2116 L2117 L2120 | V2048-I2099 HydrophobicContact CG1-CG1 3.86Å; F2095-I2099 HydrophobicContact CD1-CD1 4.42Å; F2095-I2099 HydrophobicContact CD2-CD1 4.33Å; F2095-I2099 HydrophobicContact CE1-CD1 3.82Å; F2095-I2099 HydrophobicContact CE2-CD1 3.7Å; F2095-I2099 HydrophobicContact CE2-CG1 4.2Å; F2095-I2099 HydrophobicContact CZ-CD1 3.42Å; F2095-I2099 VanDerWaalsContact CZ-CD1 3.42Å; F2095-I2099 HydrophobicContact CZ-CG1 4.41Å; F2095-I2099 PolarHBondContact O-N 3.49Å; F2095-I2099 VanDerWaalsContact O-N 3.07Å; F2096-I2099 HydrophobicContact CD1-CD1 4.45Å; F2096-I2099 PolarHBondContact O-N 3.42Å; N2097-I2099 VanDerWaalsContact C-N 3.32Å; N2097-I2099 PolarHBondContact O-N 3.03Å; I2099-N2101 PolarHBondContact O-N 3.44Å; I2099-Q2102 VanDerWaalsContact O-CB 3.29Å; I2099-Q2102 WeakPolarHBondContact O-CB 3.37Å; I2099-Q2102 WeakPolarHBondContact O-CG 3.38Å; I2099-Q2102 PolarHBondContact O-N 3.35Å; I2099-F2113 HydrophobicContact CB-CD1 4.39Å; I2099-F2113 HydrophobicContact CG1-CD1 4.31Å; I2099-F2113 HydrophobicContact CG2-CB 4Å; I2099-F2113 HydrophobicContact CG2-CD1 3.76Å; I2099-F2113 HydrophobicContact CG2-CG 4.28Å; I2099-T2116 HydrophobicContact CD1-CG2 4.42Å; I2099-L2117 HydrophobicContact CB-CD2 4.42Å; I2099-L2117 HydrophobicContact CD1-CD2 4.5Å; I2099-L2117 HydrophobicContact CG2-CD1 3.81Å; I2099-L2117 HydrophobicContact CG2-CD2 3.96Å; I2099-L2117 HydrophobicContact CG2-CG 3.57Å; I2099-L2120 HydrophobicContact CD1-CD1 4.15Å |
| 2100 | V | 96.5 | Very high | 94.9 | Very high | 4 Ų | 4 | 8.1 Ų | 8.1 | 2% | 0.024 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -62.2 | -31.3 | -178.4 | 169.3 | 0 | 0 | 0 | 0 | 112.2 | F2096 N2097 Q2102 L2103 L2117 V2136 L2137 R2140 L2151 | F2096-V2100 WeakPolarHBondContact O-CB 3.33Å; F2096-V2100 VanDerWaalsContact O-CG2 3.3Å; F2096-V2100 WeakPolarHBondContact O-CG2 3.04Å; F2096-V2100 PolarHBondContact O-N 3.01Å; N2097-V2100 PolarHBondContact O-N 2.94Å; V2100-Q2102 PolarHBondContact O-N 3.35Å; V2100-L2103 HydrophobicContact CG1-CD1 4.46Å; V2100-L2103 HydrophobicContact CG2-CD1 4.3Å; V2100-L2103 WeakPolarHBondContact O-CB 3.47Å; V2100-L2103 PolarHBondContact O-N 3.49Å; V2100-L2117 HydrophobicContact CG2-CD1 3.78Å; V2100-V2136 HydrophobicContact CB-CG1 4.18Å; V2100-V2136 HydrophobicContact CG1-CG1 4.47Å; V2100-V2136 HydrophobicContact CG2-CG1 3.84Å; V2100-L2137 HydrophobicContact CG2-CD2 3.78Å; V2100-R2140 HydrophobicContact CG1-CG 4.35Å; V2100-L2151 HydrophobicContact CG1-CD1 3.77Å |
| 2101 | N | 95.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 6.6 Ų | 6.6 | 2% | 0.016 | 3% | 0.028 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.7 | 173.3 | -73 | -13.9 | 0 | 0 | 0 | 113.5 | Y1942 R1957 I1961 N2097 I2099 R2140 | Y1942-N2101 WeakPolarHBondContact CE2-O 3.19Å; R1957-N2101 PolarHBondContact NH1-ND2 3.11Å; I1961-N2101 HydrophobicContact CD1-CB 4.28Å; I1961-N2101 WeakPolarHBondContact CD1-OD1 3.32Å; N2097-N2101 WeakPolarHBondContact O-CB 3.3Å; N2097-N2101 PolarHBondContact O-N 2.64Å; N2097-N2101 PolarHBondContact O-ND2 2.96Å; N2097-N2101 PolarHBondContact O-OD1 3.46Å; I2099-N2101 PolarHBondContact O-N 3.44Å; N2101-R2140 PolarHBondContact OD1-NH1 2.83Å; N2101-R2140 PolarHBondContact OD1-NH2 2.86Å |
| 2102 | Q | 95.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 6.6 Ų | 6.6 | 1% | 0.014 | 3% | 0.028 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -10.2 | 177.6 | -44.2 | -50.2 | -34.3 | 0 | 0 | 113.2 | Y1942 I2049 S2098 I2099 V2100 R2104 T2110 F2113 | Y1942-Q2102 PolarHBondContact OH-OE1 3.24Å; I2049-Q2102 HydrophobicContact CD1-CG 4.31Å; S2098-Q2102 PolarHBondContact O-NE2 3.12Å; S2098-Q2102 VanDerWaalsContact O-NE2 3.15Å; I2099-Q2102 VanDerWaalsContact O-CB 3.29Å; I2099-Q2102 WeakPolarHBondContact O-CB 3.37Å; I2099-Q2102 WeakPolarHBondContact O-CG 3.38Å; I2099-Q2102 PolarHBondContact O-N 3.35Å; V2100-Q2102 PolarHBondContact O-N 3.35Å; Q2102-R2104 VanDerWaalsContact C-N 3.29Å; Q2102-R2104 PolarHBondContact O-N 2.99Å; Q2102-T2110 PolarHBondContact O-OG1 3.46Å; Q2102-F2113 HydrophobicContact CB-CB 3.99Å; Q2102-F2113 HydrophobicContact CB-CD1 4.46Å; Q2102-F2113 HydrophobicContact CB-CD2 3.26Å; Q2102-F2113 HydrophobicContact CB-CE2 3.77Å; Q2102-F2113 HydrophobicContact CB-CG 3.66Å; Q2102-F2113 HydrophobicContact CG-CD1 4.28Å; Q2102-F2113 HydrophobicContact CG-CD2 3.57Å; Q2102-F2113 HydrophobicContact CG-CE1 4.26Å; Q2102-F2113 HydrophobicContact CG-CE2 3.58Å; Q2102-F2113 HydrophobicContact CG-CG 3.94Å; Q2102-F2113 HydrophobicContact CG-CZ 3.91Å |
| 2103 | L | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 2% | 0.021 | C | C | . | . | trans | -81.1 | 69.6 | 179.1 | -56.6 | -177.3 | 0 | 0 | 0 | 111.6 | V2100 F2113 L2117 L2137 P2148 L2151 T2154 | V2100-L2103 HydrophobicContact CG1-CD1 4.46Å; V2100-L2103 HydrophobicContact CG2-CD1 4.3Å; V2100-L2103 WeakPolarHBondContact O-CB 3.47Å; V2100-L2103 PolarHBondContact O-N 3.49Å; L2103-F2113 HydrophobicContact CD2-CB 4.14Å; L2103-L2117 HydrophobicContact CD1-CD1 3.78Å; L2103-L2137 HydrophobicContact CD1-CD2 4.24Å; L2103-P2148 VanDerWaalsContact O-CB 3.25Å; L2103-P2148 WeakPolarHBondContact O-CB 3.38Å; L2103-L2151 HydrophobicContact CB-CB 4.43Å; L2103-L2151 HydrophobicContact CD1-CD1 4.3Å; L2103-L2151 PolarHBondContact O-N 3.47Å; L2103-T2154 HydrophobicContact CD1-CG2 4.32Å | ||
| 2104 | R | 94.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 2.6 Ų | 2.6 | 2% | 0.015 | 1% | 0.013 | C | C | . | . | trans | -94.2 | -112.4 | -171.2 | -64.7 | -173.6 | -66.7 | 156.9 | -4 | 112.2 | C1939 Y1942 I1961 Q2102 T2110 W2149 G2150 | C1939-R2104 PolarHBondContact O-NH1 2.96Å; Y1942-R2104 VanDerWaalsContact CZ-CZ 3.46Å; I1961-R2104 HydrophobicContact CB-CG 4.49Å; I1961-R2104 HydrophobicContact CG2-CB 4.46Å; I1961-R2104 HydrophobicContact CG2-CG 3.65Å; Q2102-R2104 VanDerWaalsContact C-N 3.29Å; Q2102-R2104 PolarHBondContact O-N 2.99Å; R2104-T2110 PolarHBondContact N-OG1 3.1Å; R2104-W2149 PolarHBondContact O-N 3.08Å; R2104-G2150 PolarHBondContact O-N 2.89Å | ||
| 2105 | Y | 93.5 | Very high | 94.9 | Very high | 13 Ų | 13 | 2 Ų | 2 | 5% | 0.051 | 1% | 0.01 | C | C | . | . | S | Bend | trans | -101.6 | 172.8 | 172.8 | 59.6 | -94.1 | 0 | 0 | 0 | 110.3 | C1939 A1963 P1965 I1968 N2107 T2110 | C1939-Y2105 HydrophobicContact CB-CE1 4.42Å; A1963-Y2105 WeakPolarHBondContact O-CD1 3.48Å; P1965-Y2105 HydrophobicContact CG-CE2 4.23Å; I1968-Y2105 HydrophobicContact CD1-CD2 3.72Å; I1968-Y2105 HydrophobicContact CD1-CE2 3.71Å; Y2105-N2107 HydrophobicContact CE2-CB 4.26Å; Y2105-N2107 PolarHBondContact O-N 2.94Å; Y2105-N2107 VanDerWaalsContact O-N 3.08Å; Y2105-N2107 PolarHBondContact O-ND2 3.33Å; Y2105-T2110 WeakPolarHBondContact O-CB 3.46Å; Y2105-T2110 PolarHBondContact O-OG1 3.45Å |
| 2106 | P | 92.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 2 Ų | 2 | 1% | 0.013 | 1% | 0.01 | C | C | . | . | S | Bend | trans | -54.2 | 114.3 | 177.1 | -27.2 | 35.3 | 0 | 0 | 0 | 112.6 | L1970 P1971 D1985 M1986 W2149 | L1970-P2106 HydrophobicContact CD2-CG 4.27Å; P1971-P2106 HydrophobicContact CG-CG 3.86Å; D1985-P2106 HydrophobicContact CB-CB 4.37Å; M1986-P2106 HydrophobicContact CE-CB 3.65Å; M1986-P2106 HydrophobicContact CE-CG 4.16Å; M1986-P2106 HydrophobicContact SD-CB 3.82Å; P2106-W2149 HydrophobicContact CB-CZ3 4.36Å; P2106-W2149 HydrophobicContact CG-CD2 3.91Å; P2106-W2149 HydrophobicContact CG-CE3 3.75Å; P2106-W2149 HydrophobicContact CG-CH2 4.08Å; P2106-W2149 HydrophobicContact CG-CZ2 4.16Å; P2106-W2149 HydrophobicContact CG-CZ3 3.84Å |
| 2107 | N | 92.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 2 Ų | 2 | 2% | 0.016 | 1% | 0.01 | C | C | . | . | S | Bend | trans | -166.4 | 169.8 | 174 | 63.9 | 68.6 | 0 | 0 | 0 | 109.5 | D1985 M1986 P1990 Y2105 H2109 T2110 L2111 | D1985-N2107 WeakPolarHBondContact O-CA 3.38Å; M1986-N2107 CarbonylContact O-C 3.48Å; P1990-N2107 HydrophobicContact CB-CB 4.1Å; P1990-N2107 HydrophobicContact CG-CB 4.23Å; Y2105-N2107 HydrophobicContact CE2-CB 4.26Å; Y2105-N2107 PolarHBondContact O-N 2.94Å; Y2105-N2107 VanDerWaalsContact O-N 3.08Å; Y2105-N2107 PolarHBondContact O-ND2 3.33Å; N2107-H2109 VanDerWaalsContact C-N 3.29Å; N2107-H2109 PolarHBondContact O-N 3.46Å; N2107-H2109 WeakPolarHBondContact OD1-CA 3.21Å; N2107-H2109 WeakPolarHBondContact OD1-CB 3.32Å; N2107-H2109 PolarHBondContact OD1-N 2.93Å; N2107-T2110 PolarHBondContact ND2-OG1 2.95Å; N2107-T2110 VanDerWaalsContact ND2-OG1 3.13Å; N2107-T2110 PolarHBondContact O-N 2.88Å; N2107-T2110 PolarHBondContact OD1-N 2.93Å; N2107-T2110 PolarHBondContact OD1-OG1 3.22Å; N2107-L2111 PolarHBondContact O-N 3.42Å; N2107-L2111 VanDerWaalsContact O-N 3.1Å |
| 2108 | S | 92.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 2.1 Ų | 2.1 | 0% | 0 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -63.4 | -28.3 | -177.6 | 55.9 | 0 | 0 | 0 | 0 | 114.8 | M1986 V1988 E1989 Y2112 | M1986-S2108 WeakPolarHBondContact O-CA 3.37Å; M1986-S2108 WeakPolarHBondContact O-CB 3.42Å; M1986-S2108 PolarHBondContact O-N 3.12Å; M1986-S2108 VanDerWaalsContact O-N 3.14Å; V1988-S2108 WeakPolarHBondContact O-CB 3.43Å; V1988-S2108 PolarHBondContact O-N 2.98Å; V1988-S2108 PolarHBondContact O-OG 3.2Å; E1989-S2108 WeakPolarHBondContact CA-OG 3.32Å; S2108-Y2112 WeakPolarHBondContact O-CB 3.44Å; S2108-Y2112 PolarHBondContact O-N 2.98Å; S2108-Y2112 VanDerWaalsContact O-N 3.09Å |
| 2109 | H | 94.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 2.9 Ų | 2.9 | 0% | 0 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -74.8 | -47.2 | 176.7 | -61.3 | -178.3 | 0 | 0 | 0 | 110.4 | P1990 I2053 N2107 L2111 Y2112 F2113 | P1990-H2109 HydrophobicContact CG-CB 4.21Å; P1990-H2109 WeakPolarHBondContact CG-ND1 3.34Å; I2053-H2109 VanDerWaalsContact CG1-CE1 3.45Å; I2053-H2109 WeakPolarHBondContact CG1-CE1 3.45Å; N2107-H2109 VanDerWaalsContact C-N 3.29Å; N2107-H2109 PolarHBondContact O-N 3.46Å; N2107-H2109 WeakPolarHBondContact OD1-CA 3.21Å; N2107-H2109 WeakPolarHBondContact OD1-CB 3.32Å; N2107-H2109 PolarHBondContact OD1-N 2.93Å; H2109-L2111 PolarHBondContact O-N 2.98Å; H2109-Y2112 PolarHBondContact O-N 3.42Å; H2109-F2113 HydrophobicContact CB-CD2 4.2Å; H2109-F2113 HydrophobicContact CB-CE2 4.37Å; H2109-F2113 WeakPolarHBondContact O-CB 3.42Å; H2109-F2113 VanDerWaalsContact O-CD2 3.23Å; H2109-F2113 WeakPolarHBondContact O-CD2 3.46Å; H2109-F2113 PolarHBondContact O-N 3.39Å |
| 2110 | T | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 3.2 Ų | 3.2 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -53.8 | -44.4 | 175.3 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | Q2102 R2104 Y2105 N2107 G2114 W2149 M2153 | Q2102-T2110 PolarHBondContact O-OG1 3.46Å; R2104-T2110 PolarHBondContact N-OG1 3.1Å; Y2105-T2110 WeakPolarHBondContact O-CB 3.46Å; Y2105-T2110 PolarHBondContact O-OG1 3.45Å; N2107-T2110 PolarHBondContact ND2-OG1 2.95Å; N2107-T2110 VanDerWaalsContact ND2-OG1 3.13Å; N2107-T2110 PolarHBondContact O-N 2.88Å; N2107-T2110 PolarHBondContact OD1-N 2.93Å; N2107-T2110 PolarHBondContact OD1-OG1 3.22Å; T2110-G2114 PolarHBondContact O-N 2.67Å; T2110-W2149 HydrophobicContact CG2-CE3 4.46Å; T2110-W2149 HydrophobicContact CG2-CZ3 4.2Å; T2110-M2153 HydrophobicContact CG2-CE 4.08Å |
| 2111 | L | 92.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 3 Ų | 3 | 1% | 0.01 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -63.1 | -51.6 | 176.9 | 179.8 | 61.8 | 0 | 0 | 0 | 111.8 | I1977 E1981 M1986 P2066 N2107 H2109 F2113 G2114 C2115 | I1977-L2111 HydrophobicContact CG2-CD1 4.09Å; E1981-L2111 HydrophobicContact CG-CD1 3.73Å; E1981-L2111 HydrophobicContact CG-CD2 4.17Å; M1986-L2111 HydrophobicContact CB-CD2 4.29Å; P2066-L2111 HydrophobicContact CB-CD2 4.29Å; P2066-L2111 HydrophobicContact CB-CG 4.23Å; P2066-L2111 HydrophobicContact CG-CD2 4.34Å; N2107-L2111 PolarHBondContact O-N 3.42Å; N2107-L2111 VanDerWaalsContact O-N 3.1Å; H2109-L2111 PolarHBondContact O-N 2.98Å; L2111-F2113 PolarHBondContact O-N 2.97Å; L2111-G2114 PolarHBondContact O-N 3.13Å; L2111-C2115 PolarHBondContact O-N 3.25Å; L2111-C2115 PolarHBondContact O-SG 2.68Å |
| 2112 | Y | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -61.3 | -46.7 | -178.9 | 172.5 | -95.5 | 0 | 0 | 0 | 113 | G2052 A2055 V2056 I2059 P2066 I2071 F2080 S2108 H2109 C2115 T2116 | G2052-Y2112 VanDerWaalsContact CA-CE1 3.49Å; A2055-Y2112 HydrophobicContact CB-CD2 4.29Å; A2055-Y2112 HydrophobicContact CB-CE1 4.09Å; A2055-Y2112 HydrophobicContact CB-CE2 3.44Å; A2055-Y2112 VanDerWaalsContact CB-CE2 3.44Å; A2055-Y2112 VanDerWaalsContact CB-OH 3.23Å; A2055-Y2112 WeakPolarHBondContact CB-OH 3.32Å; V2056-Y2112 HydrophobicContact CG2-CD1 4.23Å; V2056-Y2112 HydrophobicContact CG2-CD2 4.18Å; V2056-Y2112 HydrophobicContact CG2-CG 3.71Å; I2059-Y2112 HydrophobicContact CD1-CD2 4.14Å; I2059-Y2112 HydrophobicContact CD1-CE2 4.21Å; P2066-Y2112 HydrophobicContact CB-CD2 4.25Å; I2071-Y2112 HydrophobicContact CB-CE2 4.45Å; I2071-Y2112 HydrophobicContact CG2-CD2 3.84Å; I2071-Y2112 HydrophobicContact CG2-CE2 3.59Å; F2080-Y2112 HydrophobicContact CE2-CE1 4.01Å; S2108-Y2112 WeakPolarHBondContact O-CB 3.44Å; S2108-Y2112 PolarHBondContact O-N 2.98Å; S2108-Y2112 VanDerWaalsContact O-N 3.09Å; H2109-Y2112 PolarHBondContact O-N 3.42Å; Y2112-C2115 PolarHBondContact O-N 3.08Å; Y2112-T2116 WeakPolarHBondContact O-CB 3.47Å; Y2112-T2116 PolarHBondContact O-N 2.9Å; Y2112-T2116 PolarHBondContact O-OG1 2.88Å |
| 2113 | F | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -71.8 | -30.5 | -179.8 | -76.3 | -68.7 | 0 | 0 | 0 | 112.3 | V2048 I2049 F2080 I2099 Q2102 L2103 H2109 L2111 T2116 L2117 | V2048-F2113 HydrophobicContact CG1-CE1 3.81Å; V2048-F2113 HydrophobicContact CG1-CZ 4.31Å; I2049-F2113 HydrophobicContact CD1-CE2 3.94Å; I2049-F2113 HydrophobicContact CD1-CZ 4.23Å; F2080-F2113 HydrophobicContact CE2-CE1 4.26Å; F2080-F2113 HydrophobicContact CZ-CE1 4.1Å; I2099-F2113 HydrophobicContact CB-CD1 4.39Å; I2099-F2113 HydrophobicContact CG1-CD1 4.31Å; I2099-F2113 HydrophobicContact CG2-CB 4Å; I2099-F2113 HydrophobicContact CG2-CD1 3.76Å; I2099-F2113 HydrophobicContact CG2-CG 4.28Å; Q2102-F2113 HydrophobicContact CB-CB 3.99Å; Q2102-F2113 HydrophobicContact CB-CD1 4.46Å; Q2102-F2113 HydrophobicContact CB-CD2 3.26Å; Q2102-F2113 HydrophobicContact CB-CE2 3.77Å; Q2102-F2113 HydrophobicContact CB-CG 3.66Å; Q2102-F2113 HydrophobicContact CG-CD1 4.28Å; Q2102-F2113 HydrophobicContact CG-CD2 3.57Å; Q2102-F2113 HydrophobicContact CG-CE1 4.26Å; Q2102-F2113 HydrophobicContact CG-CE2 3.58Å; Q2102-F2113 HydrophobicContact CG-CG 3.94Å; Q2102-F2113 HydrophobicContact CG-CZ 3.91Å; L2103-F2113 HydrophobicContact CD2-CB 4.14Å; H2109-F2113 HydrophobicContact CB-CD2 4.2Å; H2109-F2113 HydrophobicContact CB-CE2 4.37Å; H2109-F2113 WeakPolarHBondContact O-CB 3.42Å; H2109-F2113 VanDerWaalsContact O-CD2 3.23Å; H2109-F2113 WeakPolarHBondContact O-CD2 3.46Å; H2109-F2113 PolarHBondContact O-N 3.39Å; L2111-F2113 PolarHBondContact O-N 2.97Å; F2113-T2116 PolarHBondContact O-N 2.93Å; F2113-L2117 PolarHBondContact O-N 3.11Å |
| 2114 | G | 94.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.3 | -53.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T2110 L2111 T2116 L2117 L2118 | T2110-G2114 PolarHBondContact O-N 2.67Å; L2111-G2114 PolarHBondContact O-N 3.13Å; G2114-T2116 VanDerWaalsContact C-N 3.25Å; G2114-T2116 PolarHBondContact O-N 3.29Å; G2114-L2117 PolarHBondContact O-N 3.4Å; G2114-L2118 WeakPolarHBondContact O-CG 3.46Å; G2114-L2118 PolarHBondContact O-N 2.86Å; G2114-L2118 VanDerWaalsContact O-N 3.09Å |
| 2115 | C | 93 | Very high | 93.3 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.02 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.4 | -35.1 | 174.9 | -63.3 | 0 | 0 | 0 | 0 | 112.6 | I2068 I2071 L2111 Y2112 L2118 Y2119 | I2068-C2115 HydrophobicContact CG1-CB 4.24Å; I2071-C2115 HydrophobicContact CD1-CB 3.74Å; I2071-C2115 WeakPolarHBondContact CD1-O 3.34Å; L2111-C2115 PolarHBondContact O-N 3.25Å; L2111-C2115 PolarHBondContact O-SG 2.68Å; Y2112-C2115 PolarHBondContact O-N 3.08Å; C2115-L2118 PolarHBondContact O-N 3.17Å; C2115-Y2119 VanDerWaalsContact O-CB 3.31Å; C2115-Y2119 WeakPolarHBondContact O-CB 3.25Å; C2115-Y2119 PolarHBondContact O-N 3.26Å |
| 2116 | T | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.7 | -46.8 | 176.8 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | M2077 F2080 I2099 Y2112 F2113 G2114 Y2119 L2120 | M2077-T2116 HydrophobicContact CE-CG2 4.01Å; M2077-T2116 HydrophobicContact SD-CG2 4.47Å; F2080-T2116 HydrophobicContact CD2-CG2 3.62Å; F2080-T2116 HydrophobicContact CE2-CG2 4.1Å; F2080-T2116 HydrophobicContact CG-CG2 4.48Å; I2099-T2116 HydrophobicContact CD1-CG2 4.42Å; Y2112-T2116 WeakPolarHBondContact O-CB 3.47Å; Y2112-T2116 PolarHBondContact O-N 2.9Å; Y2112-T2116 PolarHBondContact O-OG1 2.88Å; F2113-T2116 PolarHBondContact O-N 2.93Å; G2114-T2116 VanDerWaalsContact C-N 3.25Å; G2114-T2116 PolarHBondContact O-N 3.29Å; T2116-Y2119 PolarHBondContact O-N 3.25Å; T2116-L2120 HydrophobicContact CG2-CD1 3.99Å; T2116-L2120 HydrophobicContact CG2-CG 4.41Å; T2116-L2120 WeakPolarHBondContact O-CB 3.36Å; T2116-L2120 VanDerWaalsContact O-CG 3.28Å; T2116-L2120 WeakPolarHBondContact O-CG 3.11Å; T2116-L2120 PolarHBondContact O-N 2.92Å |
| 2117 | L | 95.5 | Very high | 93 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.9 | -42.5 | 176.5 | -78.6 | 168.8 | 0 | 0 | 0 | 112.2 | F2096 I2099 V2100 L2103 F2113 G2114 Y2119 L2120 F2121 I2133 L2137 T2154 | F2096-L2117 HydrophobicContact CD1-CD2 4.3Å; I2099-L2117 HydrophobicContact CB-CD2 4.42Å; I2099-L2117 HydrophobicContact CD1-CD2 4.5Å; I2099-L2117 HydrophobicContact CG2-CD1 3.81Å; I2099-L2117 HydrophobicContact CG2-CD2 3.96Å; I2099-L2117 HydrophobicContact CG2-CG 3.57Å; V2100-L2117 HydrophobicContact CG2-CD1 3.78Å; L2103-L2117 HydrophobicContact CD1-CD1 3.78Å; F2113-L2117 PolarHBondContact O-N 3.11Å; G2114-L2117 PolarHBondContact O-N 3.4Å; L2117-Y2119 VanDerWaalsContact C-N 3.33Å; L2117-Y2119 PolarHBondContact O-N 3.07Å; L2117-L2120 PolarHBondContact O-N 2.98Å; L2117-F2121 VanDerWaalsContact O-CB 3.31Å; L2117-F2121 WeakPolarHBondContact O-CB 3.25Å; L2117-F2121 PolarHBondContact O-N 3.3Å; L2117-I2133 HydrophobicContact CD2-CG1 4.38Å; L2117-I2133 HydrophobicContact CD2-CG2 4.19Å; L2117-L2137 HydrophobicContact CD1-CD2 4.36Å; L2117-T2154 HydrophobicContact CB-CG2 4.36Å; L2117-T2154 HydrophobicContact CD1-CG2 4.41Å |
| 2118 | L | 94.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.5 | -41.4 | 178.2 | -67.8 | 170.3 | 0 | 0 | 0 | 111.9 | I1977 I2068 G2114 C2115 F2121 S2122 T2154 E2157 M2158 Y2164 | I1977-L2118 HydrophobicContact CD1-CD1 3.47Å; I1977-L2118 VanDerWaalsContact CD1-CD1 3.47Å; I2068-L2118 HydrophobicContact CD1-CB 4.15Å; G2114-L2118 WeakPolarHBondContact O-CG 3.46Å; G2114-L2118 PolarHBondContact O-N 2.86Å; G2114-L2118 VanDerWaalsContact O-N 3.09Å; C2115-L2118 PolarHBondContact O-N 3.17Å; L2118-F2121 PolarHBondContact O-N 3.33Å; L2118-S2122 WeakPolarHBondContact O-CB 3.42Å; L2118-S2122 PolarHBondContact O-N 3.05Å; L2118-S2122 PolarHBondContact O-OG 3.39Å; L2118-T2154 HydrophobicContact CD2-CG2 4.47Å; L2118-T2154 HydrophobicContact CG-CG2 4.28Å; L2118-E2157 HydrophobicContact CD1-CB 4.32Å; L2118-E2157 HydrophobicContact CD1-CG 3.8Å; L2118-E2157 HydrophobicContact CD2-CG 4.33Å; L2118-M2158 HydrophobicContact CD2-CB 3.74Å; L2118-M2158 HydrophobicContact CD2-CG 4.3Å; L2118-Y2164 HydrophobicContact CB-CE1 3.85Å; L2118-Y2164 HydrophobicContact CD2-CD2 4.44Å; L2118-Y2164 HydrophobicContact CD2-CE1 4.25Å; L2118-Y2164 HydrophobicContact CD2-CE2 3.98Å |
| 2119 | Y | 94.8 | Very high | 93 | Very high | 18 Ų | 18 | 27.4 Ų | 27.4 | 7% | 0.071 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.3 | -43.3 | 175.4 | 179.4 | -103 | 0 | 0 | 0 | 112.7 | I2068 S2072 M2077 Q2081 C2115 T2116 L2117 F2121 S2122 E2123 | I2068-Y2119 HydrophobicContact CG2-CD2 3.76Å; I2068-Y2119 HydrophobicContact CG2-CG 4.47Å; S2072-Y2119 VanDerWaalsContact CB-CE2 3.43Å; M2077-Y2119 HydrophobicContact CE-CD1 3.73Å; M2077-Y2119 HydrophobicContact CE-CE1 4.36Å; M2077-Y2119 HydrophobicContact CE-CG 4.46Å; M2077-Y2119 HydrophobicContact CG-CD1 3.76Å; M2077-Y2119 HydrophobicContact CG-CE1 3.41Å; M2077-Y2119 VanDerWaalsContact CG-CE1 3.41Å; M2077-Y2119 HydrophobicContact SD-CD1 3.51Å; M2077-Y2119 VanDerWaalsContact SD-CD1 3.51Å; M2077-Y2119 HydrophobicContact SD-CE1 3.79Å; Q2081-Y2119 HydrophobicContact CG-CE1 4.41Å; Q2081-Y2119 VanDerWaalsContact NE2-CE1 3.33Å; Q2081-Y2119 PolarHBondContact NE2-OH 3.38Å; C2115-Y2119 VanDerWaalsContact O-CB 3.31Å; C2115-Y2119 WeakPolarHBondContact O-CB 3.25Å; C2115-Y2119 PolarHBondContact O-N 3.26Å; T2116-Y2119 PolarHBondContact O-N 3.25Å; L2117-Y2119 VanDerWaalsContact C-N 3.33Å; L2117-Y2119 PolarHBondContact O-N 3.07Å; Y2119-F2121 VanDerWaalsContact C-N 3.26Å; Y2119-F2121 PolarHBondContact O-N 2.9Å; Y2119-S2122 PolarHBondContact O-N 3.06Å; Y2119-S2122 PolarHBondContact O-OG 3.19Å; Y2119-E2123 HydrophobicContact CD2-CG 3.83Å; Y2119-E2123 HydrophobicContact CE1-CG 4.27Å; Y2119-E2123 HydrophobicContact CE2-CB 4.44Å; Y2119-E2123 HydrophobicContact CE2-CG 3.34Å; Y2119-E2123 HydrophobicContact CG-CG 4.49Å; Y2119-E2123 PolarHBondContact O-N 3.24Å |
| 2120 | L | 95 | Very high | 93 | Very high | 7 Ų | 7 | 28 Ų | 28 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64 | -33.2 | 175.4 | -72.1 | 175.4 | 0 | 0 | 0 | 111.8 | M2077 F2080 Q2081 A2084 F2095 F2096 I2099 T2116 L2117 A2124 I2133 | M2077-L2120 HydrophobicContact SD-CD2 4.26Å; F2080-L2120 HydrophobicContact CB-CD1 4.47Å; Q2081-L2120 HydrophobicContact CG-CD2 3.83Å; A2084-L2120 HydrophobicContact CB-CD2 4.36Å; F2095-L2120 HydrophobicContact CE1-CD1 4.25Å; F2095-L2120 HydrophobicContact CZ-CD1 4.39Å; F2096-L2120 HydrophobicContact CE1-CD1 4.35Å; I2099-L2120 HydrophobicContact CD1-CD1 4.15Å; T2116-L2120 HydrophobicContact CG2-CD1 3.99Å; T2116-L2120 HydrophobicContact CG2-CG 4.41Å; T2116-L2120 WeakPolarHBondContact O-CB 3.36Å; T2116-L2120 VanDerWaalsContact O-CG 3.28Å; T2116-L2120 WeakPolarHBondContact O-CG 3.11Å; T2116-L2120 PolarHBondContact O-N 2.92Å; L2117-L2120 PolarHBondContact O-N 2.98Å; L2120-A2124 VanDerWaalsContact O-CB 3.28Å; L2120-A2124 WeakPolarHBondContact O-CB 3.29Å; L2120-A2124 PolarHBondContact O-N 3.43Å; L2120-I2133 HydrophobicContact CB-CD1 4.15Å |
| 2121 | F | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.1 | -44.6 | 173.5 | -172.7 | -84.5 | 0 | 0 | 0 | 111.5 | L2117 L2118 Y2119 Q2130 I2133 M2158 F2166 H2169 F2171 | L2117-F2121 VanDerWaalsContact O-CB 3.31Å; L2117-F2121 WeakPolarHBondContact O-CB 3.25Å; L2117-F2121 PolarHBondContact O-N 3.3Å; L2118-F2121 PolarHBondContact O-N 3.33Å; Y2119-F2121 VanDerWaalsContact C-N 3.26Å; Y2119-F2121 PolarHBondContact O-N 2.9Å; F2121-Q2130 HydrophobicContact CD1-CG 4.45Å; F2121-Q2130 HydrophobicContact CD2-CB 3.91Å; F2121-Q2130 HydrophobicContact CD2-CG 3.85Å; F2121-Q2130 HydrophobicContact CE1-CG 4.43Å; F2121-Q2130 HydrophobicContact CE2-CB 3.57Å; F2121-Q2130 HydrophobicContact CE2-CG 3.85Å; F2121-Q2130 HydrophobicContact CG-CG 4.15Å; F2121-Q2130 HydrophobicContact CZ-CB 4.07Å; F2121-Q2130 HydrophobicContact CZ-CG 4.13Å; F2121-Q2130 WeakPolarHBondContact O-CG 3.43Å; F2121-Q2130 PolarHBondContact O-NE2 3.36Å; F2121-I2133 HydrophobicContact CB-CD1 4.31Å; F2121-I2133 HydrophobicContact CD2-CB 4.43Å; F2121-I2133 HydrophobicContact CD2-CG2 4.24Å; F2121-M2158 HydrophobicContact CB-SD 4.5Å; F2121-M2158 HydrophobicContact CD1-CG 4.35Å; F2121-M2158 HydrophobicContact CD1-SD 4.37Å; F2121-M2158 HydrophobicContact CD2-SD 3.57Å; F2121-M2158 VanDerWaalsContact CD2-SD 3.57Å; F2121-M2158 HydrophobicContact CE1-CG 4.43Å; F2121-M2158 HydrophobicContact CE2-SD 3.79Å; F2121-M2158 HydrophobicContact CG-CG 4.42Å; F2121-M2158 HydrophobicContact CG-SD 3.89Å; F2121-M2158 HydrophobicContact CZ-SD 4.3Å; F2121-F2166 HydrophobicContact CE1-CD2 4.42Å; F2121-F2166 HydrophobicContact CE2-CD2 4.21Å; F2121-F2166 AromaticContact CZ-CD2 3.71Å; F2121-F2166 HydrophobicContact CZ-CD2 3.71Å; F2121-F2166 HydrophobicContact CZ-CE2 4.44Å; F2121-H2169 AromaticContact CE1-NE2 3.82Å; F2121-H2169 AromaticContact CZ-CD2 3.76Å; F2121-H2169 AromaticContact CZ-NE2 3.97Å; F2121-F2171 HydrophobicContact CE2-CZ 4.17Å; F2121-F2171 HydrophobicContact CZ-CZ 4.28Å |
| 2122 | S | 92.2 | Very high | 93 | Very high | 46 Ų | 46 | 33.5 Ų | 33.5 | 32% | 0.322 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -69.7 | -39.8 | -177.8 | 69.2 | 0 | 0 | 0 | 0 | 113.5 | L2118 Y2119 | L2118-S2122 WeakPolarHBondContact O-CB 3.42Å; L2118-S2122 PolarHBondContact O-N 3.05Å; L2118-S2122 PolarHBondContact O-OG 3.39Å; Y2119-S2122 PolarHBondContact O-N 3.06Å; Y2119-S2122 PolarHBondContact O-OG 3.19Å |
| 2123 | E | 90.6 | Very high | 93 | Very high | 108 Ų | 108 | 33.6 Ų | 33.6 | 51% | 0.505 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 10.9 | -176.6 | -59.7 | -61.1 | 131.6 | 0 | 0 | 113.4 | Y2119 N2125 | Y2119-E2123 HydrophobicContact CD2-CG 3.83Å; Y2119-E2123 HydrophobicContact CE1-CG 4.27Å; Y2119-E2123 HydrophobicContact CE2-CB 4.44Å; Y2119-E2123 HydrophobicContact CE2-CG 3.34Å; Y2119-E2123 HydrophobicContact CG-CG 4.49Å; Y2119-E2123 PolarHBondContact O-N 3.24Å; E2123-N2125 PolarHBondContact O-N 2.96Å |
| 2124 | A | 90.2 | Very high | 92.9 | Very high | 18 Ų | 18 | 33.9 Ų | 33.9 | 15% | 0.149 | 18% | 0.182 | C | C | . | . | trans | -65.5 | 123 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L2120 S2126 I2129 Q2130 | L2120-A2124 VanDerWaalsContact O-CB 3.28Å; L2120-A2124 WeakPolarHBondContact O-CB 3.29Å; L2120-A2124 PolarHBondContact O-N 3.43Å; A2124-S2126 PolarHBondContact O-N 3.47Å; A2124-I2129 HydrophobicContact CB-CB 4.05Å; A2124-I2129 HydrophobicContact CB-CG2 3.94Å; A2124-Q2130 HydrophobicContact CB-CG 3.8Å | ||
| 2125 | N | 85 | Confident | 92.9 | Very high | 160 Ų | 160 | 40.5 Ų | 40.5 | 86% | 0.856 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -76.3 | -3.7 | 174.3 | -65.9 | -33.9 | 0 | 0 | 0 | 113.7 | E2123 | E2123-N2125 PolarHBondContact O-N 2.96Š|
| 2126 | S | 89 | Confident | 93 | Very high | 51 Ų | 51 | 40.4 Ų | 40.4 | 36% | 0.357 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -142.8 | 126.5 | -174 | 166.5 | 0 | 0 | 0 | 0 | 110.2 | A2124 V2128 I2129 | A2124-S2126 PolarHBondContact O-N 3.47Å; S2126-V2128 PolarHBondContact O-N 3.49Å; S2126-V2128 VanDerWaalsContact O-N 3.14Å; S2126-V2128 PolarHBondContact OG-N 2.97Å; S2126-I2129 WeakPolarHBondContact O-CB 3.36Å; S2126-I2129 PolarHBondContact O-N 3.39Å |
| 2127 | E | 89.9 | Confident | 92.9 | Very high | 84 Ų | 84 | 40.5 Ų | 40.5 | 39% | 0.393 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.6 | -27.2 | 178.1 | -66.1 | -157 | 143.8 | 0 | 0 | 113.4 | I2129 Q2130 E2131 H2169 Y2170 | E2127-I2129 PolarHBondContact O-N 2.75Å; E2127-I2129 VanDerWaalsContact O-N 3.16Å; E2127-Q2130 WeakPolarHBondContact O-CB 3.41Å; E2127-Q2130 PolarHBondContact O-N 2.9Å; E2127-Q2130 VanDerWaalsContact O-N 3.07Å; E2127-E2131 WeakPolarHBondContact O-CB 3.48Å; E2127-E2131 PolarHBondContact O-N 3.47Å; E2127-H2169 IonicContact OE1-ND1 3.33Å; E2127-H2169 PolarHBondContact OE1-ND1 2.85Å; E2127-Y2170 WeakPolarHBondContact OE2-CB 3.35Å |
| 2128 | V | 90.6 | Very high | 92.6 | Very high | 62 Ų | 62 | 43.6 Ų | 43.6 | 38% | 0.376 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -56.6 | -32.5 | 174.5 | -177.1 | 0 | 0 | 0 | 0 | 112.1 | S2126 Q2132 | S2126-V2128 PolarHBondContact O-N 3.49Å; S2126-V2128 VanDerWaalsContact O-N 3.14Å; S2126-V2128 PolarHBondContact OG-N 2.97Å; V2128-Q2132 WeakPolarHBondContact O-CB 3.39Å; V2128-Q2132 VanDerWaalsContact O-CG 3.28Å; V2128-Q2132 WeakPolarHBondContact O-CG 3.43Å; V2128-Q2132 PolarHBondContact O-N 3.41Å |
| 2129 | I | 93.9 | Very high | 92.4 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 6% | 0.056 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.6 | -46.6 | 177.3 | -67.6 | 173.3 | 0 | 0 | 0 | 109.9 | A2084 V2085 F2096 A2124 S2126 E2127 E2131 Q2132 I2133 | A2084-I2129 HydrophobicContact CB-CD1 4.49Å; A2084-I2129 WeakPolarHBondContact O-CD1 3.48Å; V2085-I2129 HydrophobicContact CG2-CD1 4.41Å; F2096-I2129 HydrophobicContact CE2-CG2 4.4Å; F2096-I2129 HydrophobicContact CZ-CG2 3.79Å; A2124-I2129 HydrophobicContact CB-CB 4.05Å; A2124-I2129 HydrophobicContact CB-CG2 3.94Å; S2126-I2129 WeakPolarHBondContact O-CB 3.36Å; S2126-I2129 PolarHBondContact O-N 3.39Å; E2127-I2129 PolarHBondContact O-N 2.75Å; E2127-I2129 VanDerWaalsContact O-N 3.16Å; I2129-E2131 VanDerWaalsContact C-N 3.34Å; I2129-E2131 PolarHBondContact O-N 3.07Å; I2129-Q2132 PolarHBondContact O-N 2.97Å; I2129-I2133 HydrophobicContact CG2-CD1 3.88Å; I2129-I2133 HydrophobicContact CG2-CG1 4.49Å; I2129-I2133 WeakPolarHBondContact O-CG1 3.42Å; I2129-I2133 PolarHBondContact O-N 3.3Å |
| 2130 | Q | 94.5 | Very high | 92.3 | Very high | 13 Ų | 13 | 44.8 Ų | 44.8 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.4 | -42 | 177.9 | -72.6 | 155.2 | -25.8 | 0 | 0 | 111.5 | F2121 A2124 E2127 T2134 H2169 F2171 | F2121-Q2130 HydrophobicContact CD1-CG 4.45Å; F2121-Q2130 HydrophobicContact CD2-CB 3.91Å; F2121-Q2130 HydrophobicContact CD2-CG 3.85Å; F2121-Q2130 HydrophobicContact CE1-CG 4.43Å; F2121-Q2130 HydrophobicContact CE2-CB 3.57Å; F2121-Q2130 HydrophobicContact CE2-CG 3.85Å; F2121-Q2130 HydrophobicContact CG-CG 4.15Å; F2121-Q2130 HydrophobicContact CZ-CB 4.07Å; F2121-Q2130 HydrophobicContact CZ-CG 4.13Å; F2121-Q2130 WeakPolarHBondContact O-CG 3.43Å; F2121-Q2130 PolarHBondContact O-NE2 3.36Å; A2124-Q2130 HydrophobicContact CB-CG 3.8Å; E2127-Q2130 WeakPolarHBondContact O-CB 3.41Å; E2127-Q2130 PolarHBondContact O-N 2.9Å; E2127-Q2130 VanDerWaalsContact O-N 3.07Å; Q2130-T2134 WeakPolarHBondContact O-CB 3.34Å; Q2130-T2134 PolarHBondContact O-N 3.45Å; Q2130-T2134 PolarHBondContact O-OG1 3.13Å; Q2130-H2169 PolarHBondContact NE2-CE1 2.91Å; Q2130-H2169 VanDerWaalsContact NE2-CE1 3.28Å; Q2130-H2169 PolarHBondContact OE1-CE1 3.36Å; Q2130-H2169 PolarHBondContact OE1-ND1 3.18Å; Q2130-F2171 HydrophobicContact CB-CE1 3.58Å; Q2130-F2171 HydrophobicContact CB-CZ 3.8Å |
| 2131 | E | 93.1 | Very high | 92 | Very high | 93 Ų | 93 | 46.2 Ų | 46.2 | 44% | 0.435 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.8 | -47.8 | 174.6 | -174.5 | -168.4 | 163.4 | 0 | 0 | 111.1 | E2127 I2129 T2134 R2135 F2171 | E2127-E2131 WeakPolarHBondContact O-CB 3.48Å; E2127-E2131 PolarHBondContact O-N 3.47Å; I2129-E2131 VanDerWaalsContact C-N 3.34Å; I2129-E2131 PolarHBondContact O-N 3.07Å; E2131-T2134 PolarHBondContact O-N 3.4Å; E2131-R2135 VanDerWaalsContact O-CB 3.31Å; E2131-R2135 WeakPolarHBondContact O-CB 3.31Å; E2131-R2135 PolarHBondContact O-N 3.02Å; E2131-F2171 HydrophobicContact CB-CB 4.17Å; E2131-F2171 HydrophobicContact CB-CD1 3.77Å; E2131-F2171 HydrophobicContact CB-CD2 4.2Å; E2131-F2171 HydrophobicContact CB-CE1 4.22Å; E2131-F2171 HydrophobicContact CB-CG 3.77Å; E2131-F2171 HydrophobicContact CG-CB 3.87Å; E2131-F2171 HydrophobicContact CG-CD1 4.4Å; E2131-F2171 HydrophobicContact CG-CD2 4.22Å; E2131-F2171 HydrophobicContact CG-CG 3.91Å |
| 2132 | Q | 94.3 | Very high | 91.3 | Very high | 24 Ų | 24 | 52.5 Ų | 52.5 | 11% | 0.112 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 179.8 | -77.5 | -171.9 | -14.3 | 0 | 0 | 112.9 | S2089 F2096 V2128 I2129 T2134 R2135 V2136 | S2089-Q2132 PolarHBondContact O-NE2 3.17Å; F2096-Q2132 HydrophobicContact CD2-CB 4.06Å; F2096-Q2132 HydrophobicContact CE2-CB 3.99Å; V2128-Q2132 WeakPolarHBondContact O-CB 3.39Å; V2128-Q2132 VanDerWaalsContact O-CG 3.28Å; V2128-Q2132 WeakPolarHBondContact O-CG 3.43Å; V2128-Q2132 PolarHBondContact O-N 3.41Å; I2129-Q2132 PolarHBondContact O-N 2.97Å; Q2132-T2134 VanDerWaalsContact C-N 3.34Å; Q2132-R2135 PolarHBondContact O-N 3.44Å; Q2132-V2136 VanDerWaalsContact O-CG2 3.32Å; Q2132-V2136 WeakPolarHBondContact O-CG2 3.4Å; Q2132-V2136 PolarHBondContact O-N 3.08Å |
| 2133 | I | 96.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.5 | -50.3 | 172.6 | -70.7 | 169.2 | 0 | 0 | 0 | 109.5 | F2096 L2117 L2120 F2121 I2129 R2135 V2136 L2137 M2158 | F2096-I2133 HydrophobicContact CD1-CD1 4.46Å; F2096-I2133 HydrophobicContact CD1-CG1 3.84Å; F2096-I2133 HydrophobicContact CD2-CG1 4Å; F2096-I2133 HydrophobicContact CE1-CD1 4Å; F2096-I2133 HydrophobicContact CE1-CG1 3.75Å; F2096-I2133 HydrophobicContact CE2-CG1 3.92Å; F2096-I2133 HydrophobicContact CG-CG1 4Å; F2096-I2133 HydrophobicContact CZ-CD1 4.15Å; F2096-I2133 HydrophobicContact CZ-CG1 3.82Å; L2117-I2133 HydrophobicContact CD2-CG1 4.38Å; L2117-I2133 HydrophobicContact CD2-CG2 4.19Å; L2120-I2133 HydrophobicContact CB-CD1 4.15Å; F2121-I2133 HydrophobicContact CB-CD1 4.31Å; F2121-I2133 HydrophobicContact CD2-CB 4.43Å; F2121-I2133 HydrophobicContact CD2-CG2 4.24Å; I2129-I2133 HydrophobicContact CG2-CD1 3.88Å; I2129-I2133 HydrophobicContact CG2-CG1 4.49Å; I2129-I2133 WeakPolarHBondContact O-CG1 3.42Å; I2129-I2133 PolarHBondContact O-N 3.3Å; I2133-R2135 VanDerWaalsContact C-N 3.35Å; I2133-R2135 PolarHBondContact O-N 3.39Å; I2133-V2136 PolarHBondContact O-N 3.03Å; I2133-L2137 HydrophobicContact CG2-CD1 3.98Å; I2133-L2137 WeakPolarHBondContact O-CG 3.3Å; I2133-L2137 PolarHBondContact O-N 3Å; I2133-L2137 VanDerWaalsContact O-N 3.11Å; I2133-M2158 HydrophobicContact CG2-SD 4.44Å |
| 2134 | T | 93.5 | Very high | 90.3 | Very high | 6 Ų | 6 | 51 Ų | 51 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.1 | -45.8 | 179.5 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | Q2130 E2131 Q2132 V2136 L2137 I2138 F2166 F2171 | Q2130-T2134 WeakPolarHBondContact O-CB 3.34Å; Q2130-T2134 PolarHBondContact O-N 3.45Å; Q2130-T2134 PolarHBondContact O-OG1 3.13Å; E2131-T2134 PolarHBondContact O-N 3.4Å; Q2132-T2134 VanDerWaalsContact C-N 3.34Å; T2134-V2136 PolarHBondContact O-N 2.71Å; T2134-L2137 PolarHBondContact O-N 3.32Å; T2134-I2138 HydrophobicContact CG2-CD1 3.63Å; T2134-I2138 HydrophobicContact CG2-CG1 4.26Å; T2134-I2138 WeakPolarHBondContact O-CB 3.19Å; T2134-I2138 WeakPolarHBondContact O-CG1 3.26Å; T2134-I2138 PolarHBondContact O-N 2.96Å; T2134-F2166 HydrophobicContact CG2-CE2 3.71Å; T2134-F2166 HydrophobicContact CG2-CZ 3.82Å; T2134-F2171 HydrophobicContact CG2-CE2 4.08Å; T2134-F2171 WeakPolarHBondContact OG1-CE2 3.44Å |
| 2135 | R | 93.9 | Very high | 89.7 | Confident | 139 Ų | 139 | 59.9 Ų | 59.9 | 53% | 0.525 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.5 | -49.2 | 177.4 | 177 | 178 | 171.5 | 170.2 | 0.7 | 111.9 | E2131 Q2132 I2133 L2137 I2138 E2139 | E2131-R2135 VanDerWaalsContact O-CB 3.31Å; E2131-R2135 WeakPolarHBondContact O-CB 3.31Å; E2131-R2135 PolarHBondContact O-N 3.02Å; Q2132-R2135 PolarHBondContact O-N 3.44Å; I2133-R2135 VanDerWaalsContact C-N 3.35Å; I2133-R2135 PolarHBondContact O-N 3.39Å; R2135-L2137 VanDerWaalsContact C-N 3.31Å; R2135-L2137 PolarHBondContact O-N 3.28Å; R2135-I2138 PolarHBondContact O-N 2.86Å; R2135-E2139 HydrophobicContact CG-CG 4.24Å; R2135-E2139 WeakPolarHBondContact CG-OE1 3.38Å; R2135-E2139 IonicContact CZ-OE1 3.01Å; R2135-E2139 IonicContact NE-OE1 3.4Å; R2135-E2139 PolarHBondContact NE-OE1 3.32Å; R2135-E2139 IonicContact NH2-OE1 3.86Å; R2135-E2139 PolarHBondContact NH2-OE1 2.86Å; R2135-E2139 WeakPolarHBondContact O-CB 3.46Å; R2135-E2139 VanDerWaalsContact O-CG 3.31Å; R2135-E2139 WeakPolarHBondContact O-CG 3.44Å; R2135-E2139 PolarHBondContact O-N 2.73Å |
| 2136 | V | 95.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.3 | -40 | -179.8 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | Y2093 F2096 V2100 Q2132 I2133 T2134 R2140 | Y2093-V2136 HydrophobicContact CD2-CG2 3.59Å; Y2093-V2136 HydrophobicContact CE2-CG2 3.61Å; Y2093-V2136 HydrophobicContact CG-CG2 4.49Å; F2096-V2136 HydrophobicContact CB-CG2 4.15Å; V2100-V2136 HydrophobicContact CB-CG1 4.18Å; V2100-V2136 HydrophobicContact CG1-CG1 4.47Å; V2100-V2136 HydrophobicContact CG2-CG1 3.84Å; Q2132-V2136 VanDerWaalsContact O-CG2 3.32Å; Q2132-V2136 WeakPolarHBondContact O-CG2 3.4Å; Q2132-V2136 PolarHBondContact O-N 3.08Å; I2133-V2136 PolarHBondContact O-N 3.03Å; T2134-V2136 PolarHBondContact O-N 2.71Å; V2136-R2140 WeakPolarHBondContact O-CG 3.16Å; V2136-R2140 PolarHBondContact O-N 2.92Å |
| 2137 | L | 94 | Very high | 89.7 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.7 | -46.2 | 177.4 | -64.9 | 172.4 | 0 | 0 | 0 | 111.7 | V2100 L2103 L2117 I2133 T2134 R2135 R2140 L2141 L2151 F2155 M2158 | V2100-L2137 HydrophobicContact CG2-CD2 3.78Å; L2103-L2137 HydrophobicContact CD1-CD2 4.24Å; L2117-L2137 HydrophobicContact CD1-CD2 4.36Å; I2133-L2137 HydrophobicContact CG2-CD1 3.98Å; I2133-L2137 WeakPolarHBondContact O-CG 3.3Å; I2133-L2137 PolarHBondContact O-N 3Å; I2133-L2137 VanDerWaalsContact O-N 3.11Å; T2134-L2137 PolarHBondContact O-N 3.32Å; R2135-L2137 VanDerWaalsContact C-N 3.31Å; R2135-L2137 PolarHBondContact O-N 3.28Å; L2137-R2140 PolarHBondContact O-N 3.02Å; L2137-L2141 WeakPolarHBondContact O-CG 3.36Å; L2137-L2141 PolarHBondContact O-N 3.48Å; L2137-L2141 VanDerWaalsContact O-N 3.11Å; L2137-L2151 HydrophobicContact CB-CD1 4.46Å; L2137-L2151 HydrophobicContact CD2-CD1 3.37Å; L2137-F2155 HydrophobicContact CB-CD2 3.79Å; L2137-F2155 HydrophobicContact CB-CE2 4.38Å; L2137-F2155 HydrophobicContact CD1-CD2 4.02Å; L2137-M2158 HydrophobicContact CD1-CE 3.6Å; L2137-M2158 HydrophobicContact CD1-SD 4.17Å |
| 2138 | I | 89.6 | Confident | 89.9 | Confident | 68 Ų | 68 | 49.6 Ų | 49.6 | 35% | 0.349 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.8 | -45.1 | -179.4 | -68.7 | 178 | 0 | 0 | 0 | 111.4 | T2134 R2135 R2140 L2141 I2142 F2155 | T2134-I2138 HydrophobicContact CG2-CD1 3.63Å; T2134-I2138 HydrophobicContact CG2-CG1 4.26Å; T2134-I2138 WeakPolarHBondContact O-CB 3.19Å; T2134-I2138 WeakPolarHBondContact O-CG1 3.26Å; T2134-I2138 PolarHBondContact O-N 2.96Å; R2135-I2138 PolarHBondContact O-N 2.86Å; I2138-R2140 PolarHBondContact O-N 3.45Å; I2138-R2140 VanDerWaalsContact O-N 3.11Å; I2138-L2141 CarbonylContact O-C 3.6Å; I2138-L2141 WeakPolarHBondContact O-CA 3.21Å; I2138-L2141 PolarHBondContact O-N 3.15Å; I2138-I2142 HydrophobicContact CG2-CG2 3.79Å; I2138-I2142 WeakPolarHBondContact O-CG1 3.48Å; I2138-I2142 WeakPolarHBondContact O-CG2 3.19Å; I2138-I2142 PolarHBondContact O-N 3.11Å; I2138-F2155 HydrophobicContact CD1-CE2 4.29Å; I2138-F2155 HydrophobicContact CD1-CZ 4.15Å; I2138-F2155 HydrophobicContact CG1-CE2 3.74Å; I2138-F2155 HydrophobicContact CG1-CZ 3.74Å |
| 2139 | E | 90.6 | Very high | 90.1 | Very high | 42 Ų | 42 | 47.1 Ų | 47.1 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -52.6 | -37.4 | 176.6 | -79.2 | 177.2 | 177.1 | 0 | 0 | 111 | V1954 Y2093 R2135 I2142 | V1954-E2139 VanDerWaalsContact CG1-O 3.27Å; V1954-E2139 WeakPolarHBondContact CG1-O 3.15Å; Y2093-E2139 WeakPolarHBondContact CE2-OE2 3.46Å; Y2093-E2139 PolarHBondContact OH-OE2 3.12Å; R2135-E2139 HydrophobicContact CG-CG 4.24Å; R2135-E2139 WeakPolarHBondContact CG-OE1 3.38Å; R2135-E2139 IonicContact CZ-OE1 3.01Å; R2135-E2139 IonicContact NE-OE1 3.4Å; R2135-E2139 PolarHBondContact NE-OE1 3.32Å; R2135-E2139 IonicContact NH2-OE1 3.86Å; R2135-E2139 PolarHBondContact NH2-OE1 2.86Å; R2135-E2139 WeakPolarHBondContact O-CB 3.46Å; R2135-E2139 VanDerWaalsContact O-CG 3.31Å; R2135-E2139 WeakPolarHBondContact O-CG 3.44Å; R2135-E2139 PolarHBondContact O-N 2.73Å; E2139-I2142 WeakPolarHBondContact O-CG1 3.34Å |
| 2140 | R | 91.7 | Very high | 90.1 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -77.5 | -23.7 | 176.5 | -64.5 | -85.1 | -179.7 | 130.8 | 16.8 | 113.7 | V1954 R1957 N1958 I1961 N2097 V2100 N2101 V2136 L2137 I2138 S2143 L2151 | V1954-R2140 HydrophobicContact CG1-CB 4.49Å; V1954-R2140 HydrophobicContact CG1-CG 4.34Å; R1957-R2140 VanDerWaalsContact CB-NH1 3.32Å; N1958-R2140 PolarHBondContact ND2-O 3.45Å; N1958-R2140 WeakPolarHBondContact OD1-CD 3.37Å; I1961-R2140 VanDerWaalsContact CD1-NH1 3.33Å; N2097-R2140 PolarHBondContact OD1-NH2 2.94Å; V2100-R2140 HydrophobicContact CG1-CG 4.35Å; N2101-R2140 PolarHBondContact OD1-NH1 2.83Å; N2101-R2140 PolarHBondContact OD1-NH2 2.86Å; V2136-R2140 WeakPolarHBondContact O-CG 3.16Å; V2136-R2140 PolarHBondContact O-N 2.92Å; L2137-R2140 PolarHBondContact O-N 3.02Å; I2138-R2140 PolarHBondContact O-N 3.45Å; I2138-R2140 VanDerWaalsContact O-N 3.11Å; R2140-S2143 PolarHBondContact O-OG 3.37Å; R2140-L2151 HydrophobicContact CB-CD1 4.27Å; R2140-L2151 HydrophobicContact CB-CD2 3.48Å; R2140-L2151 VanDerWaalsContact CB-CD2 3.48Å |
| 2141 | L | 88.1 | Confident | 90.1 | Very high | 38 Ų | 38 | 46 Ų | 46 | 20% | 0.199 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -91.7 | -20.9 | 178.7 | -70.8 | 172.1 | 0 | 0 | 0 | 113.8 | L2137 I2138 H2147 L2151 M2152 F2155 | L2137-L2141 WeakPolarHBondContact O-CG 3.36Å; L2137-L2141 PolarHBondContact O-N 3.48Å; L2137-L2141 VanDerWaalsContact O-N 3.11Å; I2138-L2141 CarbonylContact O-C 3.6Å; I2138-L2141 WeakPolarHBondContact O-CA 3.21Å; I2138-L2141 PolarHBondContact O-N 3.15Å; L2141-H2147 HydrophobicContact CD2-CB 4.25Å; L2141-H2147 PolarHBondContact O-CE1 3.28Å; L2141-L2151 HydrophobicContact CD2-CD2 3.65Å; L2141-L2151 HydrophobicContact CD2-CG 3.97Å; L2141-L2151 HydrophobicContact CG-CD2 3.85Å; L2141-L2151 HydrophobicContact CG-CG 4.13Å; L2141-M2152 HydrophobicContact CD2-CG 3.84Å; L2141-F2155 HydrophobicContact CD1-CB 3.71Å; L2141-F2155 HydrophobicContact CD1-CD1 3.34Å; L2141-F2155 HydrophobicContact CD1-CD2 4.2Å; L2141-F2155 HydrophobicContact CD1-CE1 3.97Å; L2141-F2155 HydrophobicContact CD1-CG 3.47Å; L2141-F2155 VanDerWaalsContact CD1-CG 3.47Å |
| 2142 | I | 82.4 | Confident | 90.1 | Very high | 131 Ų | 131 | 43.8 Ų | 43.8 | 67% | 0.672 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -82.3 | -15.3 | 176.7 | 64 | 175.4 | 0 | 0 | 0 | 113.4 | I2138 E2139 | I2138-I2142 HydrophobicContact CG2-CG2 3.79Å; I2138-I2142 WeakPolarHBondContact O-CG1 3.48Å; I2138-I2142 WeakPolarHBondContact O-CG2 3.19Å; I2138-I2142 PolarHBondContact O-N 3.11Å; E2139-I2142 WeakPolarHBondContact O-CG1 3.34Å |
| 2143 | S | 80 | Confident | 90 | Very high | 20 Ų | 20 | 42.8 Ų | 42.8 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -65.5 | 158 | 178.5 | 73 | 0 | 0 | 0 | 0 | 111.9 | N1958 R2140 R2145 H2147 | N1958-S2143 PolarHBondContact ND2-OG 3.11Å; R2140-S2143 PolarHBondContact O-OG 3.37Å; S2143-R2145 PolarHBondContact O-N 3.41Å; S2143-H2147 PolarHBondContact O-CE1 2.98Å |
| 2144 | V | 79.7 | Confident | 89.9 | Confident | 103 Ų | 103 | 42.8 Ų | 42.8 | 62% | 0.624 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -56.3 | 139.1 | 172.9 | -176 | 0 | 0 | 0 | 0 | 111.1 | ||
| 2145 | R | 78.8 | Confident | 89.8 | Confident | 205 Ų | 205 | 44.6 Ų | 44.6 | 77% | 0.774 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -52.9 | 149 | 176.5 | -74.2 | -179.1 | -175.4 | -176.8 | 3.6 | 111.5 | S2143 H2147 | S2143-R2145 PolarHBondContact O-N 3.41Å; R2145-H2147 VanDerWaalsContact CG-NE2 3.33Å; R2145-H2147 WeakPolarHBondContact CG-NE2 3.48Å |
| 2146 | P | 86.5 | Confident | 89.5 | Confident | 40 Ų | 40 | 38.4 Ų | 38.4 | 26% | 0.26 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | cis | -84.4 | 154.5 | 12.1 | 34.1 | -36.2 | 0 | 0 | 0 | 114.7 | L1931 L1959 | L1931-P2146 HydrophobicContact CD2-CG 3.93Å; L1959-P2146 VanDerWaalsContact CD2-CD 3.46Å; L1959-P2146 HydrophobicContact CD2-CG 3.81Å |
| 2147 | H | 87.5 | Confident | 89.3 | Confident | 35 Ų | 35 | 39.7 Ų | 39.7 | 16% | 0.162 | 20% | 0.196 | C | C | . | . | trans | -108.4 | 140.6 | 172.2 | -50.8 | -67.3 | 0 | 0 | 0 | 110.3 | L2141 S2143 R2145 W2149 M2152 | L2141-H2147 HydrophobicContact CD2-CB 4.25Å; L2141-H2147 PolarHBondContact O-CE1 3.28Å; S2143-H2147 PolarHBondContact O-CE1 2.98Å; R2145-H2147 VanDerWaalsContact CG-NE2 3.33Å; R2145-H2147 WeakPolarHBondContact CG-NE2 3.48Å; H2147-W2149 PolarHBondContact O-N 3.39Å; H2147-M2152 HydrophobicContact CB-CG 4.12Å; H2147-M2152 HydrophobicContact CB-SD 4.02Å | ||
| 2148 | P | 94.2 | Very high | 89.1 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | trans | -59.8 | 137.6 | 176.7 | -24.6 | 33.6 | 0 | 0 | 0 | 112.7 | I1961 L2103 G2150 L2151 M2152 | I1961-P2148 HydrophobicContact CB-CG 3.92Å; I1961-P2148 HydrophobicContact CG2-CB 3.68Å; I1961-P2148 HydrophobicContact CG2-CG 3.47Å; I1961-P2148 VanDerWaalsContact CG2-CG 3.47Å; L2103-P2148 VanDerWaalsContact O-CB 3.25Å; L2103-P2148 WeakPolarHBondContact O-CB 3.38Å; P2148-G2150 PolarHBondContact O-N 3.02Å; P2148-L2151 HydrophobicContact CB-CB 3.9Å; P2148-L2151 HydrophobicContact CG-CB 4.4Å; P2148-L2151 HydrophobicContact CG-CD2 4.41Å; P2148-L2151 WeakPolarHBondContact O-CB 3.39Å; P2148-L2151 PolarHBondContact O-N 2.76Å; P2148-M2152 PolarHBondContact O-N 3.1Å | ||
| 2149 | W | 94.9 | Very high | 88.9 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.4 | -46.4 | -176.9 | 177.2 | 92 | 0 | 0 | 0 | 112.4 | L1970 P1971 P1973 L1980 M1986 R2104 P2106 T2110 H2147 L2151 M2152 M2153 | L1970-W2149 HydrophobicContact CD2-CB 4.29Å; L1970-W2149 HydrophobicContact CD2-CG 4.12Å; P1971-W2149 HydrophobicContact CG-CH2 4.47Å; P1971-W2149 HydrophobicContact CG-CZ2 3.63Å; P1971-W2149 PolarHBondContact O-NE1 3.17Å; P1973-W2149 HydrophobicContact CB-CG 4.49Å; L1980-W2149 HydrophobicContact CD1-CH2 3.94Å; L1980-W2149 HydrophobicContact CD1-CZ2 4.03Å; L1980-W2149 HydrophobicContact CD2-CH2 4.26Å; L1980-W2149 HydrophobicContact CD2-CZ2 3.97Å; M1986-W2149 HydrophobicContact CE-CH2 3.15Å; M1986-W2149 HydrophobicContact CE-CZ2 4.15Å; M1986-W2149 HydrophobicContact CE-CZ3 3.47Å; M1986-W2149 VanDerWaalsContact CE-CZ3 3.47Å; R2104-W2149 PolarHBondContact O-N 3.08Å; P2106-W2149 HydrophobicContact CB-CZ3 4.36Å; P2106-W2149 HydrophobicContact CG-CD2 3.91Å; P2106-W2149 HydrophobicContact CG-CE3 3.75Å; P2106-W2149 HydrophobicContact CG-CH2 4.08Å; P2106-W2149 HydrophobicContact CG-CZ2 4.16Å; P2106-W2149 HydrophobicContact CG-CZ3 3.84Å; T2110-W2149 HydrophobicContact CG2-CE3 4.46Å; T2110-W2149 HydrophobicContact CG2-CZ3 4.2Å; H2147-W2149 PolarHBondContact O-N 3.39Å; W2149-L2151 VanDerWaalsContact C-N 3.28Å; W2149-L2151 PolarHBondContact O-N 3.33Å; W2149-M2152 PolarHBondContact O-N 2.92Å; W2149-M2153 HydrophobicContact CH2-CB 4.07Å; W2149-M2153 HydrophobicContact CH2-CE 4.23Å; W2149-M2153 HydrophobicContact CH2-CG 3.97Å; W2149-M2153 HydrophobicContact CZ2-CB 4.37Å; W2149-M2153 HydrophobicContact CZ3-CB 4.28Å; W2149-M2153 HydrophobicContact CZ3-CE 3.97Å; W2149-M2153 HydrophobicContact CZ3-CG 4.42Å; W2149-M2153 PolarHBondContact O-N 3.03Å |
| 2150 | G | 93.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.6 | -29.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R2104 P2148 T2154 | R2104-G2150 PolarHBondContact O-N 2.89Å; P2148-G2150 PolarHBondContact O-N 3.02Å; G2150-T2154 WeakPolarHBondContact O-CB 3.46Å; G2150-T2154 PolarHBondContact O-N 3.48Å; G2150-T2154 PolarHBondContact O-OG1 2.75Å |
| 2151 | L | 94.9 | Very high | 88.2 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.3 | -49.7 | 173.9 | 176.2 | 75.5 | 0 | 0 | 0 | 110.5 | V2100 L2103 L2137 R2140 L2141 P2148 W2149 M2153 T2154 F2155 | V2100-L2151 HydrophobicContact CG1-CD1 3.77Å; L2103-L2151 HydrophobicContact CB-CB 4.43Å; L2103-L2151 HydrophobicContact CD1-CD1 4.3Å; L2103-L2151 PolarHBondContact O-N 3.47Å; L2137-L2151 HydrophobicContact CB-CD1 4.46Å; L2137-L2151 HydrophobicContact CD2-CD1 3.37Å; R2140-L2151 HydrophobicContact CB-CD1 4.27Å; R2140-L2151 HydrophobicContact CB-CD2 3.48Å; R2140-L2151 VanDerWaalsContact CB-CD2 3.48Å; L2141-L2151 HydrophobicContact CD2-CD2 3.65Å; L2141-L2151 HydrophobicContact CD2-CG 3.97Å; L2141-L2151 HydrophobicContact CG-CD2 3.85Å; L2141-L2151 HydrophobicContact CG-CG 4.13Å; P2148-L2151 HydrophobicContact CB-CB 3.9Å; P2148-L2151 HydrophobicContact CG-CB 4.4Å; P2148-L2151 HydrophobicContact CG-CD2 4.41Å; P2148-L2151 WeakPolarHBondContact O-CB 3.39Å; P2148-L2151 PolarHBondContact O-N 2.76Å; W2149-L2151 VanDerWaalsContact C-N 3.28Å; W2149-L2151 PolarHBondContact O-N 3.33Å; L2151-M2153 VanDerWaalsContact C-N 3.33Å; L2151-M2153 PolarHBondContact O-N 3.29Å; L2151-T2154 PolarHBondContact O-N 3.49Å; L2151-F2155 WeakPolarHBondContact O-CB 3.48Å; L2151-F2155 PolarHBondContact O-N 3.43Å |
| 2152 | M | 92.9 | Very high | 88 | Confident | 45 Ų | 45 | 45.3 Ų | 45.3 | 22% | 0.222 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.1 | -44.9 | 177.4 | -67.6 | -175.5 | -67.6 | 0 | 0 | 111.1 | P1973 L2141 H2147 P2148 W2149 F2155 A2156 | P1973-M2152 HydrophobicContact CB-CB 3.94Å; P1973-M2152 HydrophobicContact CB-CE 4.33Å; P1973-M2152 HydrophobicContact CG-CB 4.36Å; P1973-M2152 HydrophobicContact CG-CE 4.01Å; L2141-M2152 HydrophobicContact CD2-CG 3.84Å; H2147-M2152 HydrophobicContact CB-CG 4.12Å; H2147-M2152 HydrophobicContact CB-SD 4.02Å; P2148-M2152 PolarHBondContact O-N 3.1Å; W2149-M2152 PolarHBondContact O-N 2.92Å; M2152-F2155 PolarHBondContact O-N 3.43Å; M2152-A2156 WeakPolarHBondContact O-CB 3.43Å; M2152-A2156 PolarHBondContact O-N 3.11Å |
| 2153 | M | 92.7 | Very high | 88.1 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59 | -48.8 | 177.1 | 172 | -84.8 | -77.2 | 0 | 0 | 112.5 | P1973 I1977 L1980 T2110 W2149 L2151 A2156 E2157 | P1973-M2153 HydrophobicContact CB-CB 4.43Å; P1973-M2153 VanDerWaalsContact O-CA 3.28Å; P1973-M2153 WeakPolarHBondContact O-CA 3.49Å; I1977-M2153 HydrophobicContact CD1-SD 3.4Å; I1977-M2153 WeakPolarHBondContact CD1-SD 3.48Å; I1977-M2153 HydrophobicContact CG1-CG 4.24Å; I1977-M2153 HydrophobicContact CG1-SD 3.51Å; I1977-M2153 VanDerWaalsContact CG1-SD 3.51Å; L1980-M2153 HydrophobicContact CD1-CG 3.56Å; T2110-M2153 HydrophobicContact CG2-CE 4.08Å; W2149-M2153 HydrophobicContact CH2-CB 4.07Å; W2149-M2153 HydrophobicContact CH2-CE 4.23Å; W2149-M2153 HydrophobicContact CH2-CG 3.97Å; W2149-M2153 HydrophobicContact CZ2-CB 4.37Å; W2149-M2153 HydrophobicContact CZ3-CB 4.28Å; W2149-M2153 HydrophobicContact CZ3-CE 3.97Å; W2149-M2153 HydrophobicContact CZ3-CG 4.42Å; W2149-M2153 PolarHBondContact O-N 3.03Å; L2151-M2153 VanDerWaalsContact C-N 3.33Å; L2151-M2153 PolarHBondContact O-N 3.29Å; M2153-A2156 PolarHBondContact O-N 3.22Å; M2153-E2157 PolarHBondContact O-N 3.38Å |
| 2154 | T | 92.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.8 | -42.6 | -177.3 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | L2103 L2117 L2118 G2150 L2151 E2157 M2158 | L2103-T2154 HydrophobicContact CD1-CG2 4.32Å; L2117-T2154 HydrophobicContact CB-CG2 4.36Å; L2117-T2154 HydrophobicContact CD1-CG2 4.41Å; L2118-T2154 HydrophobicContact CD2-CG2 4.47Å; L2118-T2154 HydrophobicContact CG-CG2 4.28Å; G2150-T2154 WeakPolarHBondContact O-CB 3.46Å; G2150-T2154 PolarHBondContact O-N 3.48Å; G2150-T2154 PolarHBondContact O-OG1 2.75Å; L2151-T2154 PolarHBondContact O-N 3.49Å; T2154-E2157 PolarHBondContact O-N 3.33Å; T2154-M2158 PolarHBondContact O-N 3.48Å |
| 2155 | F | 93.3 | Very high | 88.9 | Confident | 44 Ų | 44 | 44.1 Ų | 44.1 | 19% | 0.193 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.9 | -41.7 | 178.1 | -173 | -106.4 | 0 | 0 | 0 | 111.9 | L2137 I2138 L2141 L2151 M2152 E2157 M2158 V2159 | L2137-F2155 HydrophobicContact CB-CD2 3.79Å; L2137-F2155 HydrophobicContact CB-CE2 4.38Å; L2137-F2155 HydrophobicContact CD1-CD2 4.02Å; I2138-F2155 HydrophobicContact CD1-CE2 4.29Å; I2138-F2155 HydrophobicContact CD1-CZ 4.15Å; I2138-F2155 HydrophobicContact CG1-CE2 3.74Å; I2138-F2155 HydrophobicContact CG1-CZ 3.74Å; L2141-F2155 HydrophobicContact CD1-CB 3.71Å; L2141-F2155 HydrophobicContact CD1-CD1 3.34Å; L2141-F2155 HydrophobicContact CD1-CD2 4.2Å; L2141-F2155 HydrophobicContact CD1-CE1 3.97Å; L2141-F2155 HydrophobicContact CD1-CG 3.47Å; L2141-F2155 VanDerWaalsContact CD1-CG 3.47Å; L2151-F2155 WeakPolarHBondContact O-CB 3.48Å; L2151-F2155 PolarHBondContact O-N 3.43Å; M2152-F2155 PolarHBondContact O-N 3.43Å; F2155-E2157 PolarHBondContact O-N 3.44Å; F2155-M2158 HydrophobicContact CD2-CE 3.62Å; F2155-M2158 HydrophobicContact CE2-CE 3.81Å; F2155-M2158 PolarHBondContact O-N 3.32Å; F2155-V2159 HydrophobicContact CD1-CG2 4.18Å; F2155-V2159 HydrophobicContact CD2-CG2 4.37Å; F2155-V2159 HydrophobicContact CE1-CG2 3.84Å; F2155-V2159 HydrophobicContact CE2-CG2 4.02Å; F2155-V2159 HydrophobicContact CG-CG2 4.44Å; F2155-V2159 HydrophobicContact CZ-CG2 3.75Å; F2155-V2159 WeakPolarHBondContact O-CB 3.5Å; F2155-V2159 VanDerWaalsContact O-CG2 3.29Å; F2155-V2159 WeakPolarHBondContact O-CG2 3.48Å; F2155-V2159 PolarHBondContact O-N 3.48Å |
| 2156 | A | 87.1 | Confident | 89.3 | Confident | 10 Ų | 10 | 34.7 Ų | 34.7 | 8% | 0.083 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.2 | -43.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1974 M2152 M2153 V2159 N2160 | F1974-A2156 HydrophobicContact CD1-CB 3.78Å; F1974-A2156 HydrophobicContact CE1-CB 4.26Å; M2152-A2156 WeakPolarHBondContact O-CB 3.43Å; M2152-A2156 PolarHBondContact O-N 3.11Å; M2153-A2156 PolarHBondContact O-N 3.22Å; A2156-V2159 PolarHBondContact O-N 3.48Å; A2156-N2160 WeakPolarHBondContact O-CB 3.45Å; A2156-N2160 PolarHBondContact O-N 3.13Å; A2156-N2160 PolarHBondContact O-ND2 2.95Å |
| 2157 | E | 90.8 | Very high | 89.3 | Confident | 28 Ų | 28 | 34.4 Ų | 34.4 | 13% | 0.131 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.5 | -47 | 175.5 | -178 | 71.8 | -154.6 | 0 | 0 | 111.6 | I1977 L2118 M2153 T2154 F2155 V2159 N2160 N2161 Y2164 | I1977-E2157 HydrophobicContact CB-CG 4.44Å; I1977-E2157 HydrophobicContact CD1-CB 3.63Å; I1977-E2157 HydrophobicContact CD1-CG 3.52Å; I1977-E2157 HydrophobicContact CG1-CB 3.84Å; I1977-E2157 HydrophobicContact CG1-CG 3.77Å; I1977-E2157 WeakPolarHBondContact CG1-OE2 3.27Å; I1977-E2157 PolarHBondContact N-OE2 3.42Å; L2118-E2157 HydrophobicContact CD1-CB 4.32Å; L2118-E2157 HydrophobicContact CD1-CG 3.8Å; L2118-E2157 HydrophobicContact CD2-CG 4.33Å; M2153-E2157 PolarHBondContact O-N 3.38Å; T2154-E2157 PolarHBondContact O-N 3.33Å; F2155-E2157 PolarHBondContact O-N 3.44Å; E2157-V2159 VanDerWaalsContact C-N 3.28Å; E2157-V2159 PolarHBondContact O-N 3.17Å; E2157-N2160 PolarHBondContact O-N 3.39Å; E2157-N2161 WeakPolarHBondContact O-CB 3.26Å; E2157-N2161 PolarHBondContact O-N 3.48Å; E2157-N2161 WeakPolarHBondContact OE1-CB 3.32Å; E2157-N2161 PolarHBondContact OE1-ND2 3.31Å; E2157-Y2164 HydrophobicContact CG-CE2 4.08Å |
| 2158 | M | 90.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.3 | -39.8 | 179.9 | -171.1 | 176 | 64.7 | 0 | 0 | 112.2 | L2118 F2121 I2133 L2137 T2154 F2155 F2166 | L2118-M2158 HydrophobicContact CD2-CB 3.74Å; L2118-M2158 HydrophobicContact CD2-CG 4.3Å; F2121-M2158 HydrophobicContact CB-SD 4.5Å; F2121-M2158 HydrophobicContact CD1-CG 4.35Å; F2121-M2158 HydrophobicContact CD1-SD 4.37Å; F2121-M2158 HydrophobicContact CD2-SD 3.57Å; F2121-M2158 VanDerWaalsContact CD2-SD 3.57Å; F2121-M2158 HydrophobicContact CE1-CG 4.43Å; F2121-M2158 HydrophobicContact CE2-SD 3.79Å; F2121-M2158 HydrophobicContact CG-CG 4.42Å; F2121-M2158 HydrophobicContact CG-SD 3.89Å; F2121-M2158 HydrophobicContact CZ-SD 4.3Å; I2133-M2158 HydrophobicContact CG2-SD 4.44Å; L2137-M2158 HydrophobicContact CD1-CE 3.6Å; L2137-M2158 HydrophobicContact CD1-SD 4.17Å; T2154-M2158 PolarHBondContact O-N 3.48Å; F2155-M2158 HydrophobicContact CD2-CE 3.62Å; F2155-M2158 HydrophobicContact CE2-CE 3.81Å; F2155-M2158 PolarHBondContact O-N 3.32Å; M2158-F2166 HydrophobicContact CE-CD2 3.94Å; M2158-F2166 HydrophobicContact CE-CE2 3.64Å; M2158-F2166 HydrophobicContact CG-CD2 3.99Å; M2158-F2166 WeakPolarHBondContact O-CB 3.37Å; M2158-F2166 HydrophobicContact SD-CD2 4.27Å; M2158-F2166 HydrophobicContact SD-CE2 4.47Å |
| 2159 | V | 85 | Confident | 88.8 | Confident | 13 Ų | 13 | 38.6 Ų | 38.6 | 8% | 0.079 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -81 | -38 | -177 | 173.4 | 0 | 0 | 0 | 0 | 112.8 | F2155 A2156 E2157 F2166 W2167 | F2155-V2159 HydrophobicContact CD1-CG2 4.18Å; F2155-V2159 HydrophobicContact CD2-CG2 4.37Å; F2155-V2159 HydrophobicContact CE1-CG2 3.84Å; F2155-V2159 HydrophobicContact CE2-CG2 4.02Å; F2155-V2159 HydrophobicContact CG-CG2 4.44Å; F2155-V2159 HydrophobicContact CZ-CG2 3.75Å; F2155-V2159 WeakPolarHBondContact O-CB 3.5Å; F2155-V2159 VanDerWaalsContact O-CG2 3.29Å; F2155-V2159 WeakPolarHBondContact O-CG2 3.48Å; F2155-V2159 PolarHBondContact O-N 3.48Å; A2156-V2159 PolarHBondContact O-N 3.48Å; E2157-V2159 VanDerWaalsContact C-N 3.28Å; E2157-V2159 PolarHBondContact O-N 3.17Å; V2159-F2166 HydrophobicContact CG2-CD1 4.03Å; V2159-F2166 HydrophobicContact CG2-CE1 3.87Å; V2159-F2166 HydrophobicContact CG2-CG 4.43Å; V2159-F2166 HydrophobicContact CG2-CZ 4.13Å; V2159-W2167 HydrophobicContact CG1-CH2 4.31Å; V2159-W2167 HydrophobicContact CG1-CZ2 3.38Å; V2159-W2167 PolarHBondContact O-NE1 3.3Å; V2159-W2167 VanDerWaalsContact O-NE1 3.14Å |
| 2160 | N | 82.5 | Confident | 88.2 | Confident | 66 Ų | 66 | 45.8 Ų | 45.8 | 35% | 0.353 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -89.6 | -26.4 | -173.1 | -65.8 | -28.9 | 0 | 0 | 0 | 113.1 | A2156 E2157 N2162 N2189 | A2156-N2160 WeakPolarHBondContact O-CB 3.45Å; A2156-N2160 PolarHBondContact O-N 3.13Å; A2156-N2160 PolarHBondContact O-ND2 2.95Å; E2157-N2160 PolarHBondContact O-N 3.39Å; N2160-N2162 PolarHBondContact O-N 3.42Å; N2160-N2189 PolarHBondContact OD1-ND2 3.07Å |
| 2161 | N | 84.4 | Confident | 87.7 | Confident | 56 Ų | 56 | 46.8 Ų | 46.8 | 30% | 0.299 | 23% | 0.231 | S | C | . | . | trans | -87.9 | 106.7 | -179.3 | -174.7 | -18.6 | 0 | 0 | 0 | 110.9 | E2157 S2163 Y2164 | E2157-N2161 WeakPolarHBondContact O-CB 3.26Å; E2157-N2161 PolarHBondContact O-N 3.48Å; E2157-N2161 WeakPolarHBondContact OE1-CB 3.32Å; E2157-N2161 PolarHBondContact OE1-ND2 3.31Å; N2161-S2163 VanDerWaalsContact CG-OG 3.23Å; N2161-S2163 PolarHBondContact ND2-OG 3.12Å; N2161-S2163 PolarHBondContact O-N 3.2Å; N2161-S2163 WeakPolarHBondContact OD1-CB 3.11Å; N2161-S2163 PolarHBondContact OD1-N 3.13Å; N2161-S2163 PolarHBondContact OD1-OG 2.95Å; N2161-Y2164 HydrophobicContact CB-CD2 3.79Å; N2161-Y2164 HydrophobicContact CB-CE2 3.75Å; N2161-Y2164 WeakPolarHBondContact O-CD2 3.26Å; N2161-Y2164 PolarHBondContact O-N 2.81Å; N2161-Y2164 VanDerWaalsContact O-N 3.14Å | ||
| 2162 | N | 83.9 | Confident | 87 | Confident | 134 Ų | 134 | 47 Ų | 47 | 72% | 0.717 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -56.7 | -18.3 | -178.6 | -69.3 | -21.7 | 0 | 0 | 0 | 114.6 | N2160 Y2164 K2165 | N2160-N2162 PolarHBondContact O-N 3.42Å; N2162-Y2164 PolarHBondContact O-N 3.22Å; N2162-K2165 PolarHBondContact O-N 3.32Å; N2162-K2165 VanDerWaalsContact O-N 3.11Å |
| 2163 | S | 85.3 | Confident | 86.1 | Confident | 81 Ų | 81 | 47 Ų | 47 | 57% | 0.566 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -62.5 | -28.8 | 177.3 | 64.2 | 0 | 0 | 0 | 0 | 113.4 | N2161 K2165 | N2161-S2163 VanDerWaalsContact CG-OG 3.23Å; N2161-S2163 PolarHBondContact ND2-OG 3.12Å; N2161-S2163 PolarHBondContact O-N 3.2Å; N2161-S2163 WeakPolarHBondContact OD1-CB 3.11Å; N2161-S2163 PolarHBondContact OD1-N 3.13Å; N2161-S2163 PolarHBondContact OD1-OG 2.95Å; S2163-K2165 VanDerWaalsContact C-N 3.3Å |
| 2164 | Y | 88.1 | Confident | 85.1 | Confident | 19 Ų | 19 | 50.2 Ų | 50.2 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -80.7 | -9.8 | 176.8 | -57.8 | -67.6 | 0 | 0 | 0 | 113.5 | I2068 L2118 E2157 N2161 N2162 F2166 | I2068-Y2164 HydrophobicContact CD1-CE1 4.28Å; I2068-Y2164 WeakPolarHBondContact CD1-OH 3.42Å; L2118-Y2164 HydrophobicContact CB-CE1 3.85Å; L2118-Y2164 HydrophobicContact CD2-CD2 4.44Å; L2118-Y2164 HydrophobicContact CD2-CE1 4.25Å; L2118-Y2164 HydrophobicContact CD2-CE2 3.98Å; E2157-Y2164 HydrophobicContact CG-CE2 4.08Å; N2161-Y2164 HydrophobicContact CB-CD2 3.79Å; N2161-Y2164 HydrophobicContact CB-CE2 3.75Å; N2161-Y2164 WeakPolarHBondContact O-CD2 3.26Å; N2161-Y2164 PolarHBondContact O-N 2.81Å; N2161-Y2164 VanDerWaalsContact O-N 3.14Å; N2162-Y2164 PolarHBondContact O-N 3.22Å; Y2164-F2166 PolarHBondContact O-N 3.38Å |
| 2165 | K | 87.7 | Confident | 83.8 | Confident | 128 Ų | 128 | 51.6 Ų | 51.6 | 56% | 0.557 | 27% | 0.267 | S | S | * | . | trans | 48.7 | 33.5 | -178.7 | -58.3 | -176.5 | -176.7 | 176.2 | 0 | 113.5 | N2162 S2163 W2167 D2168 H2169 | N2162-K2165 PolarHBondContact O-N 3.32Å; N2162-K2165 VanDerWaalsContact O-N 3.11Å; S2163-K2165 VanDerWaalsContact C-N 3.3Å; K2165-W2167 PolarHBondContact O-N 3.27Å; K2165-W2167 VanDerWaalsContact O-N 3.07Å; K2165-D2168 HydrophobicContact CB-CB 4.14Å; K2165-D2168 WeakPolarHBondContact O-CB 3.1Å; K2165-D2168 PolarHBondContact O-N 3.33Å; K2165-H2169 PolarHBondContact O-CD2 2.94Å | ||
| 2166 | F | 87.9 | Confident | 82.3 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 4% | 0.035 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -48.4 | -45.1 | -174.4 | 176 | -98.3 | 0 | 0 | 0 | 112 | F2121 T2134 M2158 V2159 Y2164 D2168 V2172 | F2121-F2166 HydrophobicContact CE1-CD2 4.42Å; F2121-F2166 HydrophobicContact CE2-CD2 4.21Å; F2121-F2166 AromaticContact CZ-CD2 3.71Å; F2121-F2166 HydrophobicContact CZ-CD2 3.71Å; F2121-F2166 HydrophobicContact CZ-CE2 4.44Å; T2134-F2166 HydrophobicContact CG2-CE2 3.71Å; T2134-F2166 HydrophobicContact CG2-CZ 3.82Å; M2158-F2166 HydrophobicContact CE-CD2 3.94Å; M2158-F2166 HydrophobicContact CE-CE2 3.64Å; M2158-F2166 HydrophobicContact CG-CD2 3.99Å; M2158-F2166 WeakPolarHBondContact O-CB 3.37Å; M2158-F2166 HydrophobicContact SD-CD2 4.27Å; M2158-F2166 HydrophobicContact SD-CE2 4.47Å; V2159-F2166 HydrophobicContact CG2-CD1 4.03Å; V2159-F2166 HydrophobicContact CG2-CE1 3.87Å; V2159-F2166 HydrophobicContact CG2-CG 4.43Å; V2159-F2166 HydrophobicContact CG2-CZ 4.13Å; Y2164-F2166 PolarHBondContact O-N 3.38Å; F2166-D2168 VanDerWaalsContact C-N 3.3Å; F2166-D2168 PolarHBondContact O-N 2.9Å; F2166-V2172 HydrophobicContact CE1-CG1 3.81Å; F2166-V2172 HydrophobicContact CE2-CG1 4.33Å; F2166-V2172 HydrophobicContact CZ-CG1 3.66Å; F2166-V2172 WeakPolarHBondContact O-CG2 3.29Å |
| 2167 | W | 85.6 | Confident | 81.2 | Confident | 34 Ų | 34 | 55.9 Ų | 55.9 | 13% | 0.129 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -77.3 | -4.7 | -178.2 | -57.8 | 110.8 | 0 | 0 | 0 | 115.9 | V2159 K2165 R2182 | V2159-W2167 HydrophobicContact CG1-CH2 4.31Å; V2159-W2167 HydrophobicContact CG1-CZ2 3.38Å; V2159-W2167 PolarHBondContact O-NE1 3.3Å; V2159-W2167 VanDerWaalsContact O-NE1 3.14Å; K2165-W2167 PolarHBondContact O-N 3.27Å; K2165-W2167 VanDerWaalsContact O-N 3.07Å; W2167-R2182 HydrophobicContact CB-CG 4.17Å; W2167-R2182 HydrophobicContact CD2-CB 3.96Å; W2167-R2182 HydrophobicContact CD2-CG 3.59Å; W2167-R2182 HydrophobicContact CE3-CB 3.5Å; W2167-R2182 HydrophobicContact CE3-CG 3.63Å; W2167-R2182 HydrophobicContact CG-CG 3.88Å; W2167-R2182 HydrophobicContact CH2-CB 4.03Å; W2167-R2182 HydrophobicContact CZ2-CB 4.43Å; W2167-R2182 HydrophobicContact CZ3-CB 3.56Å; W2167-R2182 HydrophobicContact CZ3-CG 4.18Å; W2167-R2182 PolarHBondContact O-NH1 3.39Å |
| 2168 | D | 85.7 | Confident | 79.8 | Confident | 103 Ų | 103 | 57.5 Ų | 57.5 | 55% | 0.551 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -93.8 | -8.3 | 178.8 | -60.3 | -19.5 | 0 | 0 | 0 | 112 | K2165 F2166 R2182 | K2165-D2168 HydrophobicContact CB-CB 4.14Å; K2165-D2168 WeakPolarHBondContact O-CB 3.1Å; K2165-D2168 PolarHBondContact O-N 3.33Å; F2166-D2168 VanDerWaalsContact C-N 3.3Å; F2166-D2168 PolarHBondContact O-N 2.9Å; D2168-R2182 IonicContact OD1-NH2 3.48Å; D2168-R2182 PolarHBondContact OD1-NH2 3.4Å |
| 2169 | H | 85.8 | Confident | 78.1 | Confident | 23 Ų | 23 | 60.4 Ų | 60.4 | 11% | 0.106 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -79.8 | 143.2 | -179.9 | -70.7 | -66.1 | 0 | 0 | 0 | 113.1 | F2121 E2127 Q2130 K2165 F2171 V2172 T2173 | F2121-H2169 AromaticContact CE1-NE2 3.82Å; F2121-H2169 AromaticContact CZ-CD2 3.76Å; F2121-H2169 AromaticContact CZ-NE2 3.97Å; E2127-H2169 IonicContact OE1-ND1 3.33Å; E2127-H2169 PolarHBondContact OE1-ND1 2.85Å; Q2130-H2169 PolarHBondContact NE2-CE1 2.91Å; Q2130-H2169 VanDerWaalsContact NE2-CE1 3.28Å; Q2130-H2169 PolarHBondContact OE1-CE1 3.36Å; Q2130-H2169 PolarHBondContact OE1-ND1 3.18Å; K2165-H2169 PolarHBondContact O-CD2 2.94Å; H2169-F2171 VanDerWaalsContact C-N 3.32Å; H2169-F2171 HydrophobicContact CB-CD1 3.89Å; H2169-F2171 HydrophobicContact CB-CE1 3.4Å; H2169-F2171 VanDerWaalsContact CB-CE1 3.4Å; H2169-F2171 HydrophobicContact CB-CZ 3.79Å; H2169-F2171 AromaticContact CG-CE1 3.83Å; H2169-F2171 PolarHBondContact O-N 2.98Å; H2169-V2172 HydrophobicContact CB-CG2 4.3Å; H2169-V2172 WeakPolarHBondContact O-CG2 3.46Å; H2169-V2172 PolarHBondContact O-N 3.11Å; H2169-T2173 PolarHBondContact O-OG1 3.27Å |
| 2170 | Y | 82.7 | Confident | 76.3 | Confident | 161 Ų | 161 | 66.9 Ų | 66.9 | 63% | 0.631 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -58 | -40.3 | -174.3 | 174.9 | -104.5 | 0 | 0 | 0 | 113.3 | E2127 V2172 T2173 C2174 | E2127-Y2170 WeakPolarHBondContact OE2-CB 3.35Å; Y2170-V2172 VanDerWaalsContact C-N 3.25Å; Y2170-V2172 PolarHBondContact O-N 2.91Å; Y2170-T2173 WeakPolarHBondContact CA-OG1 3.46Å; Y2170-T2173 CarbonylContact O-C 3.05Å; Y2170-T2173 PolarHBondContact O-N 2.97Å; Y2170-T2173 PolarHBondContact O-OG1 3.11Å; Y2170-C2174 HydrophobicContact CE1-CB 4.09Å; Y2170-C2174 WeakPolarHBondContact O-CB 3.11Å; Y2170-C2174 PolarHBondContact O-N 3.16Å |
| 2171 | F | 83.5 | Confident | 75 | Confident | 21 Ų | 21 | 71 Ų | 71 | 9% | 0.092 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.9 | -15.1 | -174.8 | 63 | -96.8 | 0 | 0 | 0 | 114.8 | F2121 Q2130 E2131 T2134 H2169 C2174 | F2121-F2171 HydrophobicContact CE2-CZ 4.17Å; F2121-F2171 HydrophobicContact CZ-CZ 4.28Å; Q2130-F2171 HydrophobicContact CB-CE1 3.58Å; Q2130-F2171 HydrophobicContact CB-CZ 3.8Å; E2131-F2171 HydrophobicContact CB-CB 4.17Å; E2131-F2171 HydrophobicContact CB-CD1 3.77Å; E2131-F2171 HydrophobicContact CB-CD2 4.2Å; E2131-F2171 HydrophobicContact CB-CE1 4.22Å; E2131-F2171 HydrophobicContact CB-CG 3.77Å; E2131-F2171 HydrophobicContact CG-CB 3.87Å; E2131-F2171 HydrophobicContact CG-CD1 4.4Å; E2131-F2171 HydrophobicContact CG-CD2 4.22Å; E2131-F2171 HydrophobicContact CG-CG 3.91Å; T2134-F2171 HydrophobicContact CG2-CE2 4.08Å; T2134-F2171 WeakPolarHBondContact OG1-CE2 3.44Å; H2169-F2171 VanDerWaalsContact C-N 3.32Å; H2169-F2171 HydrophobicContact CB-CD1 3.89Å; H2169-F2171 HydrophobicContact CB-CE1 3.4Å; H2169-F2171 VanDerWaalsContact CB-CE1 3.4Å; H2169-F2171 HydrophobicContact CB-CZ 3.79Å; H2169-F2171 AromaticContact CG-CE1 3.83Å; H2169-F2171 PolarHBondContact O-N 2.98Å; F2171-C2174 PolarHBondContact O-SG 3.43Å |
| 2172 | V | 79.5 | Confident | 73.4 | Confident | 7 Ų | 7 | 72.3 Ų | 72.3 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -97.8 | -8.9 | 169.9 | -74.9 | 0 | 0 | 0 | 0 | 113.1 | F2166 H2169 Y2170 I2178 | F2166-V2172 HydrophobicContact CE1-CG1 3.81Å; F2166-V2172 HydrophobicContact CE2-CG1 4.33Å; F2166-V2172 HydrophobicContact CZ-CG1 3.66Å; F2166-V2172 WeakPolarHBondContact O-CG2 3.29Å; H2169-V2172 HydrophobicContact CB-CG2 4.3Å; H2169-V2172 WeakPolarHBondContact O-CG2 3.46Å; H2169-V2172 PolarHBondContact O-N 3.11Å; Y2170-V2172 VanDerWaalsContact C-N 3.25Å; Y2170-V2172 PolarHBondContact O-N 2.91Å; V2172-I2178 HydrophobicContact CB-CG2 3.99Å; V2172-I2178 HydrophobicContact CG1-CG2 4.22Å; V2172-I2178 WeakPolarHBondContact O-CB 3.13Å; V2172-I2178 WeakPolarHBondContact O-CG2 3.28Å |
| 2173 | T | 73.9 | Confident | 71.9 | Confident | 45 Ų | 45 | 72 Ų | 72 | 28% | 0.276 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -106.6 | -4.9 | 173.5 | 58.1 | 0 | 0 | 0 | 0 | 113 | H2169 Y2170 S2175 E2179 | H2169-T2173 PolarHBondContact O-OG1 3.27Å; Y2170-T2173 WeakPolarHBondContact CA-OG1 3.46Å; Y2170-T2173 CarbonylContact O-C 3.05Å; Y2170-T2173 PolarHBondContact O-N 2.97Å; Y2170-T2173 PolarHBondContact O-OG1 3.11Å; T2173-S2175 PolarHBondContact O-N 3.5Å; T2173-E2179 HydrophobicContact CG2-CG 4.07Å |
| 2174 | C | 70.9 | Confident | 70.2 | Confident | 71 Ų | 71 | 71.5 Ų | 71.5 | 48% | 0.48 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -66.6 | -27.7 | -174.8 | 66.7 | 0 | 0 | 0 | 0 | 112.8 | Y2170 F2171 | Y2170-C2174 HydrophobicContact CE1-CB 4.09Å; Y2170-C2174 WeakPolarHBondContact O-CB 3.11Å; Y2170-C2174 PolarHBondContact O-N 3.16Å; F2171-C2174 PolarHBondContact O-SG 3.43Å |
| 2175 | S | 66.2 | Low | 68.2 | Low | 29 Ų | 29 | 72.6 Ų | 72.6 | 20% | 0.203 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -121.4 | 133.8 | 168.6 | 173.6 | 0 | 0 | 0 | 0 | 109.9 | T2173 E2177 I2178 E2179 | T2173-S2175 PolarHBondContact O-N 3.5Å; S2175-E2177 PolarHBondContact O-N 2.79Å; S2175-E2177 PolarHBondContact OG-N 3.45Å; S2175-E2177 PolarHBondContact OG-OE2 3.05Å; S2175-I2178 PolarHBondContact O-N 3.46Å; S2175-E2179 PolarHBondContact O-N 3.37Å |
| 2176 | S | 62.2 | Low | 66.2 | Low | 19 Ų | 19 | 69.9 Ų | 69.9 | 13% | 0.133 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -1.2 | 166.5 | 40.7 | 0 | 0 | 0 | 0 | 113.9 | V633 D634 K637 | V633-S2176 VanDerWaalsContact C-OG 3.23Å; V633-S2176 WeakPolarHBondContact CA-OG 3.44Å; V633-S2176 WeakPolarHBondContact CB-OG 3.35Å; V633-S2176 WeakPolarHBondContact CG1-O 3.39Å; D634-S2176 PolarHBondContact N-OG 3.44Å; K637-S2176 WeakPolarHBondContact CE-O 3.25Å; K637-S2176 PolarHBondContact NZ-O 2.89Å |
| 2177 | E | 62.8 | Low | 64.1 | Low | 125 Ų | 125 | 74.9 Ų | 74.9 | 58% | 0.584 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -36.9 | 160.7 | -65.1 | 111.4 | -171.1 | 0 | 0 | 111.4 | S2175 W2180 | S2175-E2177 PolarHBondContact O-N 2.79Å; S2175-E2177 PolarHBondContact OG-N 3.45Å; S2175-E2177 PolarHBondContact OG-OE2 3.05Å; E2177-W2180 WeakPolarHBondContact O-CB 3.38Å; E2177-W2180 PolarHBondContact O-N 3.35Å |
| 2178 | I | 62.7 | Low | 62.2 | Low | 63 Ų | 63 | 77.2 Ų | 77.2 | 32% | 0.323 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -74.8 | -42 | -172.9 | -55.3 | 173.1 | 0 | 0 | 0 | 111.4 | V2172 S2175 W2180 Y2181 R2182 | V2172-I2178 HydrophobicContact CB-CG2 3.99Å; V2172-I2178 HydrophobicContact CG1-CG2 4.22Å; V2172-I2178 WeakPolarHBondContact O-CB 3.13Å; V2172-I2178 WeakPolarHBondContact O-CG2 3.28Å; S2175-I2178 PolarHBondContact O-N 3.46Å; I2178-W2180 PolarHBondContact O-N 3.23Å; I2178-W2180 VanDerWaalsContact O-N 3.09Å; I2178-Y2181 WeakPolarHBondContact O-CB 3.42Å; I2178-Y2181 PolarHBondContact O-N 3.46Å; I2178-Y2181 VanDerWaalsContact O-N 3.14Å; I2178-R2182 PolarHBondContact O-N 3.22Å |
| 2179 | E | 53.3 | Low | 60.2 | Low | 62 Ų | 62 | 74.9 Ų | 74.9 | 29% | 0.29 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.4 | -17.2 | 173.2 | -96.9 | -178.3 | 177.5 | 0 | 0 | 112.3 | K637 T2173 S2175 R2182 L2183 | K637-E2179 HydrophobicContact CD-CB 4.34Å; K637-E2179 VanDerWaalsContact NZ-CA 3.28Å; K637-E2179 IonicContact NZ-OE2 3.38Å; T2173-E2179 HydrophobicContact CG2-CG 4.07Å; S2175-E2179 PolarHBondContact O-N 3.37Å; E2179-R2182 VanDerWaalsContact O-CB 3.3Å; E2179-R2182 WeakPolarHBondContact O-CB 3.4Å; E2179-R2182 PolarHBondContact O-N 2.7Å; E2179-L2183 PolarHBondContact O-N 3.3Å |
| 2180 | W | 48.9 | Very low | 58.4 | Low | 150 Ų | 150 | 76.4 Ų | 76.4 | 57% | 0.568 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -76.1 | -39.2 | 179 | -171.6 | 85.7 | 0 | 0 | 0 | 108.8 | E2177 I2178 R2182 L2183 I2184 | E2177-W2180 WeakPolarHBondContact O-CB 3.38Å; E2177-W2180 PolarHBondContact O-N 3.35Å; I2178-W2180 PolarHBondContact O-N 3.23Å; I2178-W2180 VanDerWaalsContact O-N 3.09Å; W2180-R2182 VanDerWaalsContact C-N 3.28Å; W2180-R2182 PolarHBondContact O-N 3.46Å; W2180-L2183 PolarHBondContact O-N 2.94Å; W2180-L2183 VanDerWaalsContact O-N 3.13Å; W2180-I2184 HydrophobicContact CD2-CD1 3.7Å; W2180-I2184 HydrophobicContact CE3-CD1 3.45Å; W2180-I2184 VanDerWaalsContact CE3-CD1 3.45Å; W2180-I2184 HydrophobicContact CH2-CD1 3.18Å; W2180-I2184 HydrophobicContact CZ2-CD1 3.44Å; W2180-I2184 VanDerWaalsContact CZ2-CD1 3.44Å; W2180-I2184 HydrophobicContact CZ3-CD1 3.18Å; W2180-I2184 PolarHBondContact O-N 3.29Å |
| 2181 | Y | 53.6 | Low | 56.6 | Low | 151 Ų | 151 | 72.3 Ų | 72.3 | 59% | 0.592 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.4 | -36.8 | 166.8 | -87.2 | -88.2 | 0 | 0 | 0 | 112.8 | I2178 L2183 I2184 C2185 | I2178-Y2181 WeakPolarHBondContact O-CB 3.42Å; I2178-Y2181 PolarHBondContact O-N 3.46Å; I2178-Y2181 VanDerWaalsContact O-N 3.14Å; Y2181-L2183 VanDerWaalsContact C-N 3.27Å; Y2181-L2183 PolarHBondContact O-N 3.36Å; Y2181-I2184 PolarHBondContact O-N 2.9Å; Y2181-C2185 PolarHBondContact O-N 3.28Å; Y2181-C2185 VanDerWaalsContact O-N 3.16Å; Y2181-C2185 PolarHBondContact O-SG 3.35Å |
| 2182 | R | 51.9 | Low | 54.8 | Low | 84 Ų | 84 | 74.6 Ų | 74.6 | 32% | 0.317 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57 | -36.4 | 173.4 | -178.4 | -175.7 | 178.8 | 160.1 | 13.9 | 112.7 | W2167 D2168 I2178 E2179 W2180 P2186 | W2167-R2182 HydrophobicContact CB-CG 4.17Å; W2167-R2182 HydrophobicContact CD2-CB 3.96Å; W2167-R2182 HydrophobicContact CD2-CG 3.59Å; W2167-R2182 HydrophobicContact CE3-CB 3.5Å; W2167-R2182 HydrophobicContact CE3-CG 3.63Å; W2167-R2182 HydrophobicContact CG-CG 3.88Å; W2167-R2182 HydrophobicContact CH2-CB 4.03Å; W2167-R2182 HydrophobicContact CZ2-CB 4.43Å; W2167-R2182 HydrophobicContact CZ3-CB 3.56Å; W2167-R2182 HydrophobicContact CZ3-CG 4.18Å; W2167-R2182 PolarHBondContact O-NH1 3.39Å; D2168-R2182 IonicContact OD1-NH2 3.48Å; D2168-R2182 PolarHBondContact OD1-NH2 3.4Å; I2178-R2182 PolarHBondContact O-N 3.22Å; E2179-R2182 VanDerWaalsContact O-CB 3.3Å; E2179-R2182 WeakPolarHBondContact O-CB 3.4Å; E2179-R2182 PolarHBondContact O-N 2.7Å; W2180-R2182 VanDerWaalsContact C-N 3.28Å; W2180-R2182 PolarHBondContact O-N 3.46Å; R2182-P2186 WeakPolarHBondContact O-CD 3.43Å; R2182-P2186 VanDerWaalsContact O-CG 3.3Å; R2182-P2186 WeakPolarHBondContact O-CG 3.22Å |
| 2183 | L | 51 | Low | 53.2 | Low | 129 Ų | 129 | 80.2 Ų | 80.2 | 68% | 0.675 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -77.8 | -35.8 | -177.8 | -129.7 | 90.2 | 0 | 0 | 0 | 112.4 | E2179 W2180 Y2181 | E2179-L2183 PolarHBondContact O-N 3.3Å; W2180-L2183 PolarHBondContact O-N 2.94Å; W2180-L2183 VanDerWaalsContact O-N 3.13Å; Y2181-L2183 VanDerWaalsContact C-N 3.27Å; Y2181-L2183 PolarHBondContact O-N 3.36Å |
| 2184 | I | 50.5 | Low | 52 | Low | 70 Ų | 70 | 85.5 Ų | 85.5 | 36% | 0.359 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -79.6 | -39.2 | -174.1 | -72.9 | 168.4 | 0 | 0 | 0 | 112.4 | W2180 Y2181 L2187 F2188 | W2180-I2184 HydrophobicContact CD2-CD1 3.7Å; W2180-I2184 HydrophobicContact CE3-CD1 3.45Å; W2180-I2184 VanDerWaalsContact CE3-CD1 3.45Å; W2180-I2184 HydrophobicContact CH2-CD1 3.18Å; W2180-I2184 HydrophobicContact CZ2-CD1 3.44Å; W2180-I2184 VanDerWaalsContact CZ2-CD1 3.44Å; W2180-I2184 HydrophobicContact CZ3-CD1 3.18Å; W2180-I2184 PolarHBondContact O-N 3.29Å; Y2181-I2184 PolarHBondContact O-N 2.9Å; I2184-L2187 WeakPolarHBondContact O-CB 3.4Å; I2184-L2187 PolarHBondContact O-N 3.39Å; I2184-L2187 VanDerWaalsContact O-N 3.12Å; I2184-F2188 PolarHBondContact O-N 3.01Å |
| 2185 | C | 46.3 | Very low | 50.7 | Low | 42 Ų | 42 | 84.3 Ų | 84.3 | 28% | 0.284 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | -175.1 | -67.7 | 0 | 0 | 0 | 0 | 113.7 | Y2181 L2187 F2188 N2189 | Y2181-C2185 PolarHBondContact O-N 3.28Å; Y2181-C2185 VanDerWaalsContact O-N 3.16Å; Y2181-C2185 PolarHBondContact O-SG 3.35Å; C2185-L2187 VanDerWaalsContact C-N 3.3Å; C2185-L2187 PolarHBondContact O-N 2.96Å; C2185-F2188 PolarHBondContact O-N 3.19Å; C2185-N2189 WeakPolarHBondContact O-CB 3.4Å; C2185-N2189 PolarHBondContact O-N 2.95Å |
| 2186 | P | 44.5 | Very low | 49.5 | Very low | 70 Ų | 70 | 88.7 Ų | 88.7 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.9 | -32.6 | 174.1 | -19.6 | 32.2 | 0 | 0 | 0 | 112.5 | R2182 N2189 A2190 | R2182-P2186 WeakPolarHBondContact O-CD 3.43Å; R2182-P2186 VanDerWaalsContact O-CG 3.3Å; R2182-P2186 WeakPolarHBondContact O-CG 3.22Å; P2186-N2189 PolarHBondContact O-N 3.19Å; P2186-A2190 WeakPolarHBondContact O-CB 3.5Å; P2186-A2190 PolarHBondContact O-N 3.15Å |
| 2187 | L | 44.5 | Very low | 48.8 | Very low | 114 Ų | 114 | 94.1 Ų | 94.1 | 60% | 0.597 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -67.5 | -41 | 178.6 | -155.4 | 144.2 | 0 | 0 | 0 | 110.5 | I2184 C2185 I2191 | I2184-L2187 WeakPolarHBondContact O-CB 3.4Å; I2184-L2187 PolarHBondContact O-N 3.39Å; I2184-L2187 VanDerWaalsContact O-N 3.12Å; C2185-L2187 VanDerWaalsContact C-N 3.3Å; C2185-L2187 PolarHBondContact O-N 2.96Å; L2187-I2191 HydrophobicContact CD2-CD1 3.96Å; L2187-I2191 WeakPolarHBondContact O-CD1 3.34Å; L2187-I2191 VanDerWaalsContact O-CG1 3.25Å; L2187-I2191 WeakPolarHBondContact O-CG1 3.29Å; L2187-I2191 PolarHBondContact O-N 3.36Å; L2187-I2191 VanDerWaalsContact O-N 3.11Å |
| 2188 | F | 45.7 | Very low | 48 | Very low | 82 Ų | 82 | 90.8 Ų | 90.8 | 36% | 0.36 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 172.5 | -156.2 | -93.4 | 0 | 0 | 0 | 112 | I2184 C2185 A2190 I2191 L2192 F2226 | I2184-F2188 PolarHBondContact O-N 3.01Å; C2185-F2188 PolarHBondContact O-N 3.19Å; F2188-A2190 PolarHBondContact O-N 3.36Å; F2188-I2191 WeakPolarHBondContact O-CB 3.37Å; F2188-I2191 PolarHBondContact O-N 2.91Å; F2188-L2192 HydrophobicContact CD1-CD1 3.83Å; F2188-L2192 HydrophobicContact CD1-CG 4.4Å; F2188-L2192 HydrophobicContact CE1-CD1 3.94Å; F2188-L2192 HydrophobicContact CE1-CG 4.44Å; F2188-L2192 PolarHBondContact O-N 3.44Å; F2188-F2226 AromaticContact CE2-CD1 3.77Å; F2188-F2226 HydrophobicContact CE2-CD1 3.77Å; F2188-F2226 AromaticContact CE2-CE1 3.95Å; F2188-F2226 HydrophobicContact CE2-CE1 3.95Å; F2188-F2226 HydrophobicContact CZ-CD1 4.28Å |
| 2189 | N | 44.4 | Very low | 46.9 | Very low | 54 Ų | 54 | 90.4 Ų | 90.4 | 29% | 0.289 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.8 | -34.4 | 176.3 | -80.7 | -20 | 0 | 0 | 0 | 113.2 | N2160 C2185 P2186 I2191 L2192 Q2193 | N2160-N2189 PolarHBondContact OD1-ND2 3.07Å; C2185-N2189 WeakPolarHBondContact O-CB 3.4Å; C2185-N2189 PolarHBondContact O-N 2.95Å; P2186-N2189 PolarHBondContact O-N 3.19Å; N2189-I2191 VanDerWaalsContact C-N 3.35Å; N2189-L2192 PolarHBondContact O-N 3.26Å; N2189-Q2193 WeakPolarHBondContact O-CB 3.4Å; N2189-Q2193 PolarHBondContact O-N 3.05Å |
| 2190 | A | 47.5 | Very low | 46.3 | Very low | 55 Ų | 55 | 90.6 Ų | 90.6 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | P2186 F2188 L2192 Q2193 F2194 | P2186-A2190 WeakPolarHBondContact O-CB 3.5Å; P2186-A2190 PolarHBondContact O-N 3.15Å; F2188-A2190 PolarHBondContact O-N 3.36Å; A2190-L2192 VanDerWaalsContact C-N 3.34Å; A2190-Q2193 PolarHBondContact O-N 3.29Å; A2190-F2194 VanDerWaalsContact O-CB 3.29Å; A2190-F2194 WeakPolarHBondContact O-CB 3.45Å; A2190-F2194 PolarHBondContact O-N 2.93Å |
| 2191 | I | 44.7 | Very low | 46 | Very low | 75 Ų | 75 | 90.7 Ų | 90.7 | 39% | 0.385 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 171.2 | -68.8 | 165 | 0 | 0 | 0 | 110 | L2187 F2188 N2189 F2194 I2195 | L2187-I2191 HydrophobicContact CD2-CD1 3.96Å; L2187-I2191 WeakPolarHBondContact O-CD1 3.34Å; L2187-I2191 VanDerWaalsContact O-CG1 3.25Å; L2187-I2191 WeakPolarHBondContact O-CG1 3.29Å; L2187-I2191 PolarHBondContact O-N 3.36Å; L2187-I2191 VanDerWaalsContact O-N 3.11Å; F2188-I2191 WeakPolarHBondContact O-CB 3.37Å; F2188-I2191 PolarHBondContact O-N 2.91Å; N2189-I2191 VanDerWaalsContact C-N 3.35Å; I2191-F2194 PolarHBondContact O-N 3.18Å; I2191-I2195 HydrophobicContact CG2-CD1 3.97Å; I2191-I2195 WeakPolarHBondContact O-CD1 3.34Å; I2191-I2195 WeakPolarHBondContact O-CG1 3.29Å; I2191-I2195 PolarHBondContact O-N 3.14Å |
| 2192 | L | 45.6 | Very low | 45.6 | Very low | 70 Ų | 70 | 87.4 Ų | 87.4 | 37% | 0.366 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.3 | -44 | 176.6 | -72.3 | 169.5 | 0 | 0 | 0 | 113.2 | F2188 N2189 A2190 F2194 I2195 E2196 V2223 | F2188-L2192 HydrophobicContact CD1-CD1 3.83Å; F2188-L2192 HydrophobicContact CD1-CG 4.4Å; F2188-L2192 HydrophobicContact CE1-CD1 3.94Å; F2188-L2192 HydrophobicContact CE1-CG 4.44Å; F2188-L2192 PolarHBondContact O-N 3.44Å; N2189-L2192 PolarHBondContact O-N 3.26Å; A2190-L2192 VanDerWaalsContact C-N 3.34Å; L2192-F2194 VanDerWaalsContact C-N 3.32Å; L2192-F2194 PolarHBondContact O-N 3.06Å; L2192-I2195 CarbonylContact O-C 3.5Å; L2192-I2195 WeakPolarHBondContact O-CA 3.45Å; L2192-I2195 WeakPolarHBondContact O-CB 3.46Å; L2192-I2195 PolarHBondContact O-N 2.94Å; L2192-I2195 VanDerWaalsContact O-N 3.15Å; L2192-E2196 PolarHBondContact O-N 3.29Å; L2192-V2223 HydrophobicContact CD2-CG1 4.43Å |
| 2193 | Q | 46.5 | Very low | 44.9 | Very low | 125 Ų | 125 | 93.1 Ų | 93.1 | 58% | 0.584 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.3 | -36.4 | 175.3 | -95.6 | -173.3 | -5.8 | 0 | 0 | 112.2 | N2189 A2190 I2195 E2196 Q2197 | N2189-Q2193 WeakPolarHBondContact O-CB 3.4Å; N2189-Q2193 PolarHBondContact O-N 3.05Å; A2190-Q2193 PolarHBondContact O-N 3.29Å; Q2193-I2195 VanDerWaalsContact C-N 3.29Å; Q2193-I2195 PolarHBondContact O-N 3.04Å; Q2193-E2196 PolarHBondContact O-N 3.33Å; Q2193-Q2197 WeakPolarHBondContact O-CB 3.39Å; Q2193-Q2197 PolarHBondContact O-N 3.19Å |
| 2194 | F | 47.7 | Very low | 44.5 | Very low | 156 Ų | 156 | 91 Ų | 91 | 68% | 0.684 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.2 | -40.9 | 173.3 | -170.7 | -95 | 0 | 0 | 0 | 110.9 | A2190 I2191 L2192 E2196 A2198 | A2190-F2194 VanDerWaalsContact O-CB 3.29Å; A2190-F2194 WeakPolarHBondContact O-CB 3.45Å; A2190-F2194 PolarHBondContact O-N 2.93Å; I2191-F2194 PolarHBondContact O-N 3.18Å; L2192-F2194 VanDerWaalsContact C-N 3.32Å; L2192-F2194 PolarHBondContact O-N 3.06Å; F2194-E2196 VanDerWaalsContact C-N 3.35Å; F2194-A2198 WeakPolarHBondContact O-CB 3.32Å; F2194-A2198 PolarHBondContact O-N 3.25Å |
| 2195 | I | 43.5 | Very low | 43.9 | Very low | 45 Ų | 45 | 92.3 Ų | 92.3 | 23% | 0.231 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -64.3 | -40 | 173.5 | -67.2 | 159.4 | 0 | 0 | 0 | 111 | I2191 L2192 Q2193 A2198 C2199 V2223 | I2191-I2195 HydrophobicContact CG2-CD1 3.97Å; I2191-I2195 WeakPolarHBondContact O-CD1 3.34Å; I2191-I2195 WeakPolarHBondContact O-CG1 3.29Å; I2191-I2195 PolarHBondContact O-N 3.14Å; L2192-I2195 CarbonylContact O-C 3.5Å; L2192-I2195 WeakPolarHBondContact O-CA 3.45Å; L2192-I2195 WeakPolarHBondContact O-CB 3.46Å; L2192-I2195 PolarHBondContact O-N 2.94Å; L2192-I2195 VanDerWaalsContact O-N 3.15Å; Q2193-I2195 VanDerWaalsContact C-N 3.29Å; Q2193-I2195 PolarHBondContact O-N 3.04Å; I2195-A2198 PolarHBondContact O-N 3.19Å; I2195-C2199 WeakPolarHBondContact O-CB 3.44Å; I2195-C2199 PolarHBondContact O-N 3.28Å; I2195-C2199 PolarHBondContact O-SG 2.81Å; I2195-V2223 HydrophobicContact CD1-CB 4.39Å; I2195-V2223 HydrophobicContact CD1-CG1 3.74Å; I2195-V2223 HydrophobicContact CD1-CG2 3.75Å; I2195-V2223 HydrophobicContact CG1-CG2 4.2Å; I2195-V2223 HydrophobicContact CG2-CG1 4.25Å; I2195-V2223 HydrophobicContact CG2-CG2 3.95Å |
| 2196 | E | 41.8 | Very low | 43.1 | Very low | 122 Ų | 122 | 98.1 Ų | 98.1 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.1 | -40.6 | -178.3 | -157.2 | 177.3 | -155.6 | 0 | 0 | 112.5 | L2192 Q2193 F2194 C2199 S2200 | L2192-E2196 PolarHBondContact O-N 3.29Å; Q2193-E2196 PolarHBondContact O-N 3.33Å; F2194-E2196 VanDerWaalsContact C-N 3.35Å; E2196-C2199 CarbonylContact O-C 3.5Å; E2196-C2199 WeakPolarHBondContact O-CA 3.37Å; E2196-C2199 WeakPolarHBondContact O-CB 3.4Å; E2196-C2199 PolarHBondContact O-N 3.06Å; E2196-C2199 VanDerWaalsContact O-N 3.11Å; E2196-S2200 PolarHBondContact O-N 3.45Å |
| 2197 | Q | 47.5 | Very low | 42.8 | Very low | 132 Ų | 132 | 101 Ų | 101 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.8 | -40.6 | 170.9 | -77.2 | -173.1 | -3.1 | 0 | 0 | 111.9 | Q2193 C2199 S2200 F2201 | Q2193-Q2197 WeakPolarHBondContact O-CB 3.39Å; Q2193-Q2197 PolarHBondContact O-N 3.19Å; Q2197-C2199 PolarHBondContact O-N 3.24Å; Q2197-S2200 PolarHBondContact O-N 3.14Å; Q2197-S2200 PolarHBondContact O-OG 3Å; Q2197-S2200 VanDerWaalsContact O-OG 3.14Å; Q2197-F2201 WeakPolarHBondContact O-CB 3.37Å; Q2197-F2201 PolarHBondContact O-N 3Å |
| 2198 | A | 46.4 | Very low | 42.2 | Very low | 55 Ų | 55 | 100.1 Ų | 100.1 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.1 | -36.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | F2194 I2195 V2202 | F2194-A2198 WeakPolarHBondContact O-CB 3.32Å; F2194-A2198 PolarHBondContact O-N 3.25Å; I2195-A2198 PolarHBondContact O-N 3.19Å; A2198-V2202 VanDerWaalsContact O-CG2 3.27Å; A2198-V2202 WeakPolarHBondContact O-CG2 3.27Å; A2198-V2202 PolarHBondContact O-N 3.22Å |
| 2199 | C | 38.6 | Very low | 41.5 | Very low | 55 Ų | 55 | 100.8 Ų | 100.8 | 37% | 0.372 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -75.7 | -35.7 | 178.2 | -73.9 | 0 | 0 | 0 | 0 | 113.4 | I2195 E2196 Q2197 V2202 R2203 | I2195-C2199 WeakPolarHBondContact O-CB 3.44Å; I2195-C2199 PolarHBondContact O-N 3.28Å; I2195-C2199 PolarHBondContact O-SG 2.81Å; E2196-C2199 CarbonylContact O-C 3.5Å; E2196-C2199 WeakPolarHBondContact O-CA 3.37Å; E2196-C2199 WeakPolarHBondContact O-CB 3.4Å; E2196-C2199 PolarHBondContact O-N 3.06Å; E2196-C2199 VanDerWaalsContact O-N 3.11Å; Q2197-C2199 PolarHBondContact O-N 3.24Å; C2199-V2202 PolarHBondContact O-N 3.21Å; C2199-R2203 PolarHBondContact O-N 3.44Å; C2199-R2203 VanDerWaalsContact O-N 3.13Å |
| 2200 | S | 41.6 | Very low | 41.1 | Very low | 67 Ų | 67 | 101.9 Ų | 101.9 | 47% | 0.469 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -71.6 | -36.1 | 177.1 | 76 | 0 | 0 | 0 | 0 | 111.7 | E2196 Q2197 V2202 R2203 A2204 | E2196-S2200 PolarHBondContact O-N 3.45Å; Q2197-S2200 PolarHBondContact O-N 3.14Å; Q2197-S2200 PolarHBondContact O-OG 3Å; Q2197-S2200 VanDerWaalsContact O-OG 3.14Å; S2200-V2202 VanDerWaalsContact C-N 3.25Å; S2200-V2202 PolarHBondContact O-N 3.09Å; S2200-R2203 WeakPolarHBondContact O-CA 3.39Å; S2200-R2203 PolarHBondContact O-N 3.34Å; S2200-A2204 PolarHBondContact O-N 3.17Å |
| 2201 | F | 43.3 | Very low | 40.5 | Very low | 151 Ų | 151 | 109.4 Ų | 109.4 | 66% | 0.662 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -59.1 | -38 | 170.6 | -171.8 | -98.2 | 0 | 0 | 0 | 111.9 | Q2197 R2203 T2205 | Q2197-F2201 WeakPolarHBondContact O-CB 3.37Å; Q2197-F2201 PolarHBondContact O-N 3Å; F2201-R2203 VanDerWaalsContact C-N 3.33Å; F2201-T2205 PolarHBondContact O-N 2.94Å; F2201-T2205 PolarHBondContact O-OG1 3.08Å |
| 2202 | V | 43.9 | Very low | 40 | Very low | 82 Ų | 82 | 109.5 Ų | 109.5 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -71.6 | -25.4 | 174.3 | 175.3 | 0 | 0 | 0 | 0 | 112.3 | A2198 C2199 S2200 T2205 | A2198-V2202 VanDerWaalsContact O-CG2 3.27Å; A2198-V2202 WeakPolarHBondContact O-CG2 3.27Å; A2198-V2202 PolarHBondContact O-N 3.22Å; C2199-V2202 PolarHBondContact O-N 3.21Å; S2200-V2202 VanDerWaalsContact C-N 3.25Å; S2200-V2202 PolarHBondContact O-N 3.09Å; V2202-T2205 PolarHBondContact O-OG1 3.09Å |
| 2203 | R | 37 | Very low | 39.5 | Very low | 205 Ų | 205 | 109.1 Ų | 109.1 | 77% | 0.774 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -82 | -37.6 | 175.7 | -73.3 | -176.1 | -167.9 | 176.7 | 6.7 | 113.3 | C2199 S2200 F2201 T2205 | C2199-R2203 PolarHBondContact O-N 3.44Å; C2199-R2203 VanDerWaalsContact O-N 3.13Å; S2200-R2203 WeakPolarHBondContact O-CA 3.39Å; S2200-R2203 PolarHBondContact O-N 3.34Å; F2201-R2203 VanDerWaalsContact C-N 3.33Å; R2203-T2205 PolarHBondContact O-N 2.92Å |
| 2204 | A | 43.1 | Very low | 38.9 | Very low | 84 Ų | 84 | 112.1 Ų | 112.1 | 69% | 0.694 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66.8 | -23.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S2200 K2206 | S2200-A2204 PolarHBondContact O-N 3.17Å; A2204-K2206 PolarHBondContact O-N 3.4Å; A2204-K2206 VanDerWaalsContact O-N 3.08Å |
| 2205 | T | 37.7 | Very low | 38.3 | Very low | 97 Ų | 97 | 110.5 Ų | 110.5 | 60% | 0.595 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -85.9 | 57.4 | 172.1 | 46 | 0 | 0 | 0 | 0 | 111.5 | F2201 V2202 R2203 | F2201-T2205 PolarHBondContact O-N 2.94Å; F2201-T2205 PolarHBondContact O-OG1 3.08Å; V2202-T2205 PolarHBondContact O-OG1 3.09Å; R2203-T2205 PolarHBondContact O-N 2.92Å |
| 2206 | K | 28.8 | Very low | 37.9 | Very low | 164 Ų | 164 | 111.9 Ų | 111.9 | 71% | 0.713 | 65% | 0.645 | S | S | * | * | trans | -133.5 | 122.3 | 158.8 | -84.6 | -173.7 | 176.3 | -179.2 | 0 | 107.2 | A2204 | A2204-K2206 PolarHBondContact O-N 3.4Å; A2204-K2206 VanDerWaalsContact O-N 3.08Å | ||
| 2207 | P | 38.9 | Very low | 37.5 | Very low | 130 Ų | 130 | 114.3 Ų | 114.3 | 84% | 0.844 | 65% | 0.654 | S | S | * | * | S | Bend | -144.8 | 110.2 | 61.2 | 34.7 | -14.2 | 0 | 0 | 0 | 113.7 | |||
| 2208 | A | 33 | Very low | 37 | Very low | 97 Ų | 97 | 112.8 Ų | 112.8 | 80% | 0.802 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -174.1 | 145.4 | 149.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 2209 | A | 29.6 | Very low | 36.3 | Very low | 95 Ų | 95 | 116 Ų | 116 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | trans | 70.4 | 90.3 | 172 | 0 | 0 | 0 | 0 | 0 | 116.4 | K2211 | A2209-K2211 PolarHBondContact O-N 3.21Š| ||
| 2210 | G | 36.2 | Very low | 36.2 | Very low | 77 Ų | 77 | 118.1 Ų | 118.1 | 79% | 0.794 | 66% | 0.664 | S | S | * | * | trans | -60.6 | 127.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2211 | K | 35.5 | Very low | 35.9 | Very low | 213 Ų | 213 | 118.5 Ų | 118.5 | 93% | 0.926 | 67% | 0.667 | S | S | * | * | trans | 163 | 15.1 | 151.4 | -90.6 | 172.7 | -176.7 | -177.3 | 0 | 113.3 | A2209 | A2209-K2211 PolarHBondContact O-N 3.21Š| ||
| 2212 | S | 33.6 | Very low | 35.5 | Very low | 77 Ų | 77 | 113.3 Ų | 113.3 | 54% | 0.538 | 66% | 0.656 | S | S | . | * | trans | -97 | 10.1 | -178.1 | 59.6 | 0 | 0 | 0 | 0 | 116.4 | K2214 K2215 | S2212-K2214 PolarHBondContact O-N 3.37Å; S2212-K2214 VanDerWaalsContact O-N 3.09Å; S2212-K2215 PolarHBondContact O-N 2.77Å | ||
| 2213 | G | 34.4 | Very low | 35 | Very low | 63 Ų | 63 | 111.3 Ų | 111.3 | 65% | 0.649 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -60.5 | -20.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 2214 | K | 35.8 | Very low | 34.7 | Very low | 187 Ų | 187 | 109.4 Ų | 109.4 | 81% | 0.813 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -81.6 | -27.9 | -179.7 | -82 | -176.6 | 175 | -179.8 | 0 | 114.6 | S2212 | S2212-K2214 PolarHBondContact O-N 3.37Å; S2212-K2214 VanDerWaalsContact O-N 3.09Å |
| 2215 | K | 33.6 | Very low | 34.1 | Very low | 123 Ų | 123 | 112.1 Ų | 112.1 | 54% | 0.535 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -73.9 | -32.1 | 179.2 | -82.3 | -176.4 | -180 | 176.1 | 0 | 112.6 | A882 S2212 K2217 M2218 L2219 | A882-K2215 VanDerWaalsContact CB-CE 3.44Å; S2212-K2215 PolarHBondContact O-N 2.77Å; K2215-K2217 VanDerWaalsContact C-N 3.31Å; K2215-K2217 PolarHBondContact O-N 3.18Å; K2215-M2218 PolarHBondContact O-N 3.22Å; K2215-L2219 PolarHBondContact O-N 3.29Å |
| 2216 | V | 35.3 | Very low | 33.5 | Very low | 74 Ų | 74 | 116.4 Ų | 116.4 | 45% | 0.448 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -65.6 | -36 | 176.5 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | M2218 L2220 | V2216-M2218 VanDerWaalsContact C-N 3.32Å; V2216-M2218 PolarHBondContact O-N 3.37Å; V2216-L2220 HydrophobicContact CG1-CD1 3.91Å; V2216-L2220 PolarHBondContact O-N 3.34Å |
| 2217 | K | 34.4 | Very low | 33.8 | Very low | 173 Ų | 173 | 114 Ų | 114 | 75% | 0.752 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.9 | -32.5 | 177.4 | -120.4 | -178.2 | 179.7 | -175.3 | 0 | 113.4 | K2215 S2221 | K2215-K2217 VanDerWaalsContact C-N 3.31Å; K2215-K2217 PolarHBondContact O-N 3.18Å; K2217-S2221 PolarHBondContact O-N 3.33Å |
| 2218 | M | 36.2 | Very low | 33.5 | Very low | 99 Ų | 99 | 113.2 Ų | 113.2 | 49% | 0.488 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -78.5 | -37.6 | -179.8 | -114.7 | -171.6 | 71 | 0 | 0 | 112.9 | Q881 K2215 V2216 S2221 G2222 | Q881-M2218 HydrophobicContact CB-CE 3.79Å; Q881-M2218 HydrophobicContact CB-SD 3.64Å; Q881-M2218 HydrophobicContact CG-SD 3.73Å; K2215-M2218 PolarHBondContact O-N 3.22Å; V2216-M2218 VanDerWaalsContact C-N 3.32Å; V2216-M2218 PolarHBondContact O-N 3.37Å; M2218-S2221 PolarHBondContact O-N 3.49Å; M2218-G2222 PolarHBondContact O-N 2.97Å |
| 2219 | L | 32.8 | Very low | 33.5 | Very low | 123 Ų | 123 | 114.1 Ų | 114.1 | 64% | 0.644 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.6 | -39.4 | 177.6 | -107.3 | 142 | 0 | 0 | 0 | 112 | K2215 S2221 G2222 V2223 | K2215-L2219 PolarHBondContact O-N 3.29Å; L2219-S2221 VanDerWaalsContact C-N 3.28Å; L2219-S2221 PolarHBondContact O-N 3.2Å; L2219-G2222 PolarHBondContact O-N 3.36Å; L2219-V2223 WeakPolarHBondContact O-CG2 3.37Å; L2219-V2223 PolarHBondContact O-N 2.84Å |
| 2220 | L | 34.8 | Very low | 33.8 | Very low | 99 Ų | 99 | 115.2 Ų | 115.2 | 52% | 0.518 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63 | -32.6 | 172.8 | -90.9 | 151.1 | 0 | 0 | 0 | 113 | V2216 M2224 | V2216-L2220 HydrophobicContact CG1-CD1 3.91Å; V2216-L2220 PolarHBondContact O-N 3.34Å; L2220-M2224 PolarHBondContact O-N 3.42Å |
| 2221 | S | 35.4 | Very low | 33.6 | Very low | 75 Ų | 75 | 117.6 Ų | 117.6 | 52% | 0.524 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -73 | -28.3 | 178.5 | -178 | 0 | 0 | 0 | 0 | 113.7 | K2217 M2218 L2219 | K2217-S2221 PolarHBondContact O-N 3.33Å; M2218-S2221 PolarHBondContact O-N 3.49Å; L2219-S2221 VanDerWaalsContact C-N 3.28Å; L2219-S2221 PolarHBondContact O-N 3.2Å |
| 2222 | G | 35.6 | Very low | 33.5 | Very low | 43 Ų | 43 | 111.2 Ų | 111.2 | 44% | 0.443 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -76.5 | -37 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | M2218 L2219 K2225 | M2218-G2222 PolarHBondContact O-N 2.97Å; L2219-G2222 PolarHBondContact O-N 3.36Å; G2222-K2225 PolarHBondContact O-N 3.42Å |
| 2223 | V | 32.7 | Very low | 33.5 | Very low | 40 Ų | 40 | 113.6 Ų | 113.6 | 24% | 0.242 | 59% | 0.593 | C | S | . | * | H | α-helix | trans | -77.1 | -36.8 | -177 | 173.7 | 0 | 0 | 0 | 0 | 112.4 | L2192 I2195 L2219 K2225 F2226 | L2192-V2223 HydrophobicContact CD2-CG1 4.43Å; I2195-V2223 HydrophobicContact CD1-CB 4.39Å; I2195-V2223 HydrophobicContact CD1-CG1 3.74Å; I2195-V2223 HydrophobicContact CD1-CG2 3.75Å; I2195-V2223 HydrophobicContact CG1-CG2 4.2Å; I2195-V2223 HydrophobicContact CG2-CG1 4.25Å; I2195-V2223 HydrophobicContact CG2-CG2 3.95Å; L2219-V2223 WeakPolarHBondContact O-CG2 3.37Å; L2219-V2223 PolarHBondContact O-N 2.84Å; V2223-K2225 PolarHBondContact O-N 3.21Å; V2223-K2225 VanDerWaalsContact O-N 3.16Å; V2223-F2226 PolarHBondContact O-N 3.43Å |
| 2224 | M | 32.1 | Very low | 33.4 | Very low | 164 Ų | 164 | 117.5 Ų | 117.5 | 81% | 0.808 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -12.2 | 174.8 | -85.6 | -130.5 | -139.6 | 0 | 0 | 114.5 | L2220 | L2220-M2224 PolarHBondContact O-N 3.42Š|
| 2225 | K | 30.1 | Very low | 33.2 | Very low | 141 Ų | 141 | 111.8 Ų | 111.8 | 61% | 0.613 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -10.7 | 177.7 | -96.3 | -170.6 | 174.5 | -173.4 | 0 | 113.6 | N918 G2222 V2223 | N918-K2225 WeakPolarHBondContact OD1-CD 3.28Å; G2222-K2225 PolarHBondContact O-N 3.42Å; V2223-K2225 PolarHBondContact O-N 3.21Å; V2223-K2225 VanDerWaalsContact O-N 3.16Å |
| 2226 | F | 25.4 | Very low | 33.2 | Very low | 187 Ų | 187 | 110.7 Ų | 110.7 | 82% | 0.82 | 57% | 0.573 | S | S | * | * | trans | -99.6 | 0 | 170.1 | -151.9 | -85.8 | 0 | 0 | 0 | 108.1 | F2188 V2223 | F2188-F2226 AromaticContact CE2-CD1 3.77Å; F2188-F2226 HydrophobicContact CE2-CD1 3.77Å; F2188-F2226 AromaticContact CE2-CE1 3.95Å; F2188-F2226 HydrophobicContact CE2-CE1 3.95Å; F2188-F2226 HydrophobicContact CZ-CD1 4.28Å; V2223-F2226 PolarHBondContact O-N 3.43Å |
Retrieved 2,226 of 2,226 residues in 3047.8 ms
(Link to these results)