| 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 | 53.7 | Low | 90.6 | Very high | 244 Ų | 244 | 62.1 Ų | 62.1 | 100% | 1.202 | 33% | 0.332 | S | S | * | . | 0 | 135.1 | 0 | -83.8 | -170 | -90.6 | 0 | 0 | 107 | |||||
| 2 | S | 84.9 | Confident | 91.2 | Very high | 65 Ų | 65 | 56.9 Ų | 56.9 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 149.5 | 169.4 | 48.6 | 0 | 0 | 0 | 0 | 109.7 | L248 | S2-L248 WeakPolarHBondContact CB-O 3.19Š|
| 3 | K | 91.9 | Very high | 91.7 | Very high | 74 Ų | 74 | 54 Ų | 54 | 32% | 0.322 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 138.3 | 174.1 | -64.8 | -174.5 | 178.6 | 75.5 | 0 | 109.7 | E7 I8 W120 Q249 | K3-E7 HydrophobicContact CB-CB 4.15Å; K3-I8 HydrophobicContact CB-CD1 4.22Å; K3-I8 HydrophobicContact CB-CG1 3.65Å; K3-I8 HydrophobicContact CD-CG1 4.42Å; K3-W120 PolarHBondContact NZ-O 3.28Å; K3-Q249 WeakPolarHBondContact O-CG 3.18Å; K3-Q249 PolarHBondContact O-NE2 3.16Å |
| 4 | S | 94.4 | Very high | 92.2 | Very high | 34 Ų | 34 | 55.4 Ų | 55.4 | 24% | 0.238 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 159.1 | 169 | 61.3 | 0 | 0 | 0 | 0 | 111.2 | A6 E7 I8 D258 | S4-A6 PolarHBondContact O-N 3.41Å; S4-E7 WeakPolarHBondContact CB-OE2 3.42Å; S4-E7 PolarHBondContact N-OE2 2.71Å; S4-E7 PolarHBondContact O-N 3.35Å; S4-E7 VanDerWaalsContact O-N 3.11Å; S4-E7 WeakPolarHBondContact OG-CB 3.38Å; S4-E7 VanDerWaalsContact OG-CD 3.27Å; S4-E7 WeakPolarHBondContact OG-CG 3.37Å; S4-E7 PolarHBondContact OG-N 3.45Å; S4-E7 PolarHBondContact OG-OE2 3.41Å; S4-I8 VanDerWaalsContact O-CG1 3.28Å; S4-I8 WeakPolarHBondContact O-CG1 3.48Å; S4-I8 PolarHBondContact O-N 3.4Å; S4-D258 VanDerWaalsContact CA-OD2 3.24Å; S4-D258 WeakPolarHBondContact CA-OD2 3.3Å; S4-D258 WeakPolarHBondContact CB-OD2 3.36Å |
| 5 | T | 95.7 | Very high | 92.6 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.9 | -36 | 177.1 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | I8 R9 L241 A245 Q249 D258 L259 | T5-I8 PolarHBondContact O-N 3.12Å; T5-R9 PolarHBondContact O-N 2.85Å; T5-L241 HydrophobicContact CG2-CD1 4.08Å; T5-L241 HydrophobicContact CG2-CD2 3.75Å; T5-L241 HydrophobicContact CG2-CG 3.77Å; T5-A245 HydrophobicContact CG2-CB 4.45Å; T5-Q249 PolarHBondContact OG1-NE2 3.14Å; T5-D258 WeakPolarHBondContact CB-OD1 3.46Å; T5-D258 PolarHBondContact N-OD1 3.11Å; T5-D258 PolarHBondContact N-OD2 2.85Å; T5-D258 PolarHBondContact OG1-OD1 3.28Å; T5-L259 HydrophobicContact CG2-CD1 4.46Å |
| 6 | A | 93.8 | Very high | 93 | Very high | 43 Ų | 43 | 48.4 Ų | 48.4 | 36% | 0.355 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S4 I8 R9 Q10 | S4-A6 PolarHBondContact O-N 3.41Å; A6-I8 VanDerWaalsContact C-N 3.32Å; A6-R9 PolarHBondContact O-N 3.26Å; A6-Q10 PolarHBondContact O-N 3.42Å |
| 7 | E | 95 | Very high | 93.3 | Very high | 109 Ų | 109 | 52.4 Ų | 52.4 | 51% | 0.509 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.5 | -35.2 | 175.2 | -73 | 165.9 | 134.2 | 0 | 0 | 111.9 | K3 S4 Q10 A11 | K3-E7 HydrophobicContact CB-CB 4.15Å; S4-E7 WeakPolarHBondContact CB-OE2 3.42Å; S4-E7 PolarHBondContact N-OE2 2.71Å; S4-E7 PolarHBondContact O-N 3.35Å; S4-E7 VanDerWaalsContact O-N 3.11Å; S4-E7 WeakPolarHBondContact OG-CB 3.38Å; S4-E7 VanDerWaalsContact OG-CD 3.27Å; S4-E7 WeakPolarHBondContact OG-CG 3.37Å; S4-E7 PolarHBondContact OG-N 3.45Å; S4-E7 PolarHBondContact OG-OE2 3.41Å; E7-Q10 PolarHBondContact O-N 3.1Å; E7-A11 WeakPolarHBondContact O-CB 3.44Å; E7-A11 PolarHBondContact O-N 3.04Å |
| 8 | I | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 176.1 | -66 | 167.9 | 0 | 0 | 0 | 110.5 | K3 S4 T5 A6 Q10 A11 F12 F121 L241 I244 A245 L248 | K3-I8 HydrophobicContact CB-CD1 4.22Å; K3-I8 HydrophobicContact CB-CG1 3.65Å; K3-I8 HydrophobicContact CD-CG1 4.42Å; S4-I8 VanDerWaalsContact O-CG1 3.28Å; S4-I8 WeakPolarHBondContact O-CG1 3.48Å; S4-I8 PolarHBondContact O-N 3.4Å; T5-I8 PolarHBondContact O-N 3.12Å; A6-I8 VanDerWaalsContact C-N 3.32Å; I8-Q10 PolarHBondContact O-N 3.19Å; I8-A11 PolarHBondContact O-N 3.2Å; I8-F12 PolarHBondContact O-N 2.97Å; I8-F12 VanDerWaalsContact O-N 3.09Å; I8-F121 HydrophobicContact CG2-CE1 4.15Å; I8-F121 HydrophobicContact CG2-CZ 3.91Å; I8-L241 HydrophobicContact CB-CD1 4.41Å; I8-L241 HydrophobicContact CG2-CD1 4.03Å; I8-I244 HydrophobicContact CG2-CG2 3.93Å; I8-A245 HydrophobicContact CD1-CB 3.95Å; I8-L248 HydrophobicContact CD1-CB 3.8Å; I8-L248 HydrophobicContact CD1-CD1 3.75Å; I8-L248 HydrophobicContact CD1-CG 4.43Å; I8-L248 HydrophobicContact CG1-CD1 3.79Å; I8-L248 HydrophobicContact CG2-CD1 3.98Å |
| 9 | R | 96.8 | Very high | 93.8 | Very high | 12 Ų | 12 | 53.1 Ų | 53.1 | 5% | 0.045 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.9 | -50.3 | 173.8 | -174 | -166.1 | -59.5 | 108 | 0.1 | 111.2 | T5 A6 F12 L13 E92 L94 L241 | T5-R9 PolarHBondContact O-N 2.85Å; A6-R9 PolarHBondContact O-N 3.26Å; R9-F12 WeakPolarHBondContact O-CB 3.36Å; R9-F12 PolarHBondContact O-N 2.86Å; R9-L13 WeakPolarHBondContact O-CG 3.41Å; R9-L13 PolarHBondContact O-N 3.11Å; R9-E92 IonicContact CZ-OE1 2.83Å; R9-E92 IonicContact CZ-OE2 2.64Å; R9-E92 IonicContact NE-OE1 2.64Å; R9-E92 IonicContact NE-OE2 2.74Å; R9-E92 PolarHBondContact NE-OE2 2.99Å; R9-E92 IonicContact NH2-OE1 2.81Å; R9-E92 PolarHBondContact NH2-OE1 3Å; R9-E92 IonicContact NH2-OE2 3.9Å; R9-L94 HydrophobicContact CG-CD2 4.07Å; R9-L241 HydrophobicContact CB-CD1 3.99Å; R9-L241 HydrophobicContact CB-CD2 4.16Å; R9-L241 HydrophobicContact CG-CD2 4.4Å |
| 10 | Q | 95.9 | Very high | 94 | Very high | 86 Ų | 86 | 53.2 Ų | 53.2 | 40% | 0.402 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | -178 | -169.3 | 60.6 | 50.1 | 0 | 0 | 111.7 | A6 E7 I8 F12 L13 D14 | A6-Q10 PolarHBondContact O-N 3.42Å; E7-Q10 PolarHBondContact O-N 3.1Å; I8-Q10 PolarHBondContact O-N 3.19Å; Q10-F12 VanDerWaalsContact C-N 3.28Å; Q10-F12 PolarHBondContact O-N 2.92Å; Q10-L13 PolarHBondContact O-N 3.34Å; Q10-D14 PolarHBondContact NE2-OD1 3.28Å; Q10-D14 WeakPolarHBondContact O-CB 3.38Å; Q10-D14 VanDerWaalsContact O-CG 3.22Å; Q10-D14 PolarHBondContact O-N 2.88Å |
| 11 | A | 97.2 | Very high | 94.2 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 11% | 0.107 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -37 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E7 I8 F15 W120 F121 | E7-A11 WeakPolarHBondContact O-CB 3.44Å; E7-A11 PolarHBondContact O-N 3.04Å; I8-A11 PolarHBondContact O-N 3.2Å; A11-F15 VanDerWaalsContact O-CB 3.3Å; A11-F15 WeakPolarHBondContact O-CB 3.44Å; A11-F15 PolarHBondContact O-N 3.18Å; A11-W120 HydrophobicContact CB-CE3 4.47Å; A11-W120 WeakPolarHBondContact O-CZ3 3.32Å; A11-F121 HydrophobicContact CB-CE1 4.1Å |
| 12 | F | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.6 | -49.6 | 173.3 | 178.3 | -88.6 | 0 | 0 | 0 | 112 | I8 R9 Q10 F15 F16 T63 L94 L114 W212 M239 | I8-F12 PolarHBondContact O-N 2.97Å; I8-F12 VanDerWaalsContact O-N 3.09Å; R9-F12 WeakPolarHBondContact O-CB 3.36Å; R9-F12 PolarHBondContact O-N 2.86Å; Q10-F12 VanDerWaalsContact C-N 3.28Å; Q10-F12 PolarHBondContact O-N 2.92Å; F12-F15 PolarHBondContact O-N 2.76Å; F12-F16 HydrophobicContact CD1-CD2 4.17Å; F12-F16 HydrophobicContact CD2-CD2 4.12Å; F12-F16 AromaticContact CD2-CE2 3.95Å; F12-F16 HydrophobicContact CD2-CE2 3.95Å; F12-F16 AromaticContact CE1-CD2 3.8Å; F12-F16 HydrophobicContact CE1-CD2 3.8Å; F12-F16 HydrophobicContact CE1-CE2 4.18Å; F12-F16 AromaticContact CE2-CD2 3.78Å; F12-F16 HydrophobicContact CE2-CD2 3.78Å; F12-F16 AromaticContact CE2-CE2 3.36Å; F12-F16 HydrophobicContact CE2-CE2 3.36Å; F12-F16 HydrophobicContact CE2-CZ 4.48Å; F12-F16 HydrophobicContact CG-CD2 4.32Å; F12-F16 AromaticContact CZ-CD2 3.59Å; F12-F16 HydrophobicContact CZ-CD2 3.59Å; F12-F16 AromaticContact CZ-CE2 3.48Å; F12-F16 HydrophobicContact CZ-CE2 3.48Å; F12-F16 VanDerWaalsContact CZ-CE2 3.48Å; F12-F16 PolarHBondContact O-N 3.49Å; F12-F16 VanDerWaalsContact O-N 3.13Å; F12-T63 VanDerWaalsContact CE1-OG1 3.27Å; F12-T63 WeakPolarHBondContact CE1-OG1 3.46Å; F12-L94 HydrophobicContact CB-CD1 4Å; F12-L94 HydrophobicContact CB-CD2 4.36Å; F12-L94 HydrophobicContact CD1-CB 3.87Å; F12-L94 HydrophobicContact CD1-CD1 4.5Å; F12-L94 HydrophobicContact CD1-CD2 4Å; F12-L94 HydrophobicContact CD1-CG 4.34Å; F12-L94 HydrophobicContact CD2-CB 3.97Å; F12-L94 HydrophobicContact CD2-CD1 4.05Å; F12-L94 HydrophobicContact CE1-CB 3.76Å; F12-L94 HydrophobicContact CE2-CB 3.84Å; F12-L94 HydrophobicContact CG-CB 3.98Å; F12-L94 HydrophobicContact CG-CD1 3.94Å; F12-L94 HydrophobicContact CG-CD2 4.2Å; F12-L94 HydrophobicContact CG-CG 4.27Å; F12-L94 HydrophobicContact CZ-CB 3.75Å; F12-L114 HydrophobicContact CD2-CD2 3.61Å; F12-L114 HydrophobicContact CE2-CD2 4.09Å; F12-W212 HydrophobicContact CE2-CH2 4.38Å; F12-W212 HydrophobicContact CE2-CZ2 4.02Å; F12-M239 HydrophobicContact CD2-CE 3.23Å; F12-M239 HydrophobicContact CE2-CE 3.53Å; F12-M239 HydrophobicContact CG-CE 4.28Å |
| 13 | L | 97.9 | Very high | 96.8 | Very high | 19 Ų | 19 | 43.4 Ų | 43.4 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | -179.6 | -63.9 | 175.7 | 0 | 0 | 0 | 111.2 | R9 Q10 F15 F16 H17 V23 T63 | R9-L13 WeakPolarHBondContact O-CG 3.41Å; R9-L13 PolarHBondContact O-N 3.11Å; Q10-L13 PolarHBondContact O-N 3.34Å; L13-F15 VanDerWaalsContact C-N 3.35Å; L13-F15 PolarHBondContact O-N 3.19Å; L13-F16 PolarHBondContact O-N 3.26Å; L13-H17 WeakPolarHBondContact O-CB 3.44Å; L13-H17 PolarHBondContact O-N 3.37Å; L13-V23 HydrophobicContact CD1-CG1 4.46Å; L13-V23 HydrophobicContact CD2-CG1 4.34Å; L13-T63 HydrophobicContact CD2-CG2 4.2Å |
| 14 | D | 98.2 | Very high | 97 | Very high | 73 Ų | 73 | 41.1 Ų | 41.1 | 39% | 0.39 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.4 | -39.1 | 177.9 | -70.1 | -13.2 | 0 | 0 | 0 | 111.8 | Q10 S18 W120 | Q10-D14 PolarHBondContact NE2-OD1 3.28Å; Q10-D14 WeakPolarHBondContact O-CB 3.38Å; Q10-D14 VanDerWaalsContact O-CG 3.22Å; Q10-D14 PolarHBondContact O-N 2.88Å; D14-S18 WeakPolarHBondContact O-CB 3.41Å; D14-S18 PolarHBondContact O-N 3.45Å; D14-W120 HydrophobicContact CB-CH2 4.4Å; D14-W120 HydrophobicContact CB-CZ3 4.26Å |
| 15 | F | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.8 | -54.8 | 175.3 | 172.2 | -105.7 | 0 | 0 | 0 | 111.1 | A11 F12 L13 H17 S18 K19 F110 E113 L114 W120 | A11-F15 VanDerWaalsContact O-CB 3.3Å; A11-F15 WeakPolarHBondContact O-CB 3.44Å; A11-F15 PolarHBondContact O-N 3.18Å; F12-F15 PolarHBondContact O-N 2.76Å; L13-F15 VanDerWaalsContact C-N 3.35Å; L13-F15 PolarHBondContact O-N 3.19Å; F15-H17 PolarHBondContact O-N 3.24Å; F15-S18 WeakPolarHBondContact O-CA 3.18Å; F15-S18 WeakPolarHBondContact O-CB 3.38Å; F15-S18 PolarHBondContact O-N 3.19Å; F15-S18 PolarHBondContact O-OG 2.97Å; F15-K19 HydrophobicContact CE1-CG 4.38Å; F15-K19 VanDerWaalsContact CE2-CE 3.41Å; F15-K19 HydrophobicContact CZ-CG 4.28Å; F15-K19 PolarHBondContact O-N 3.36Å; F15-F110 HydrophobicContact CE1-CB 4.09Å; F15-F110 WeakPolarHBondContact CE1-O 3.48Å; F15-F110 HydrophobicContact CZ-CB 4.2Å; F15-F110 VanDerWaalsContact CZ-O 3.23Å; F15-F110 WeakPolarHBondContact CZ-O 3.41Å; F15-E113 HydrophobicContact CE2-CB 4.3Å; F15-E113 HydrophobicContact CE2-CG 3.98Å; F15-E113 HydrophobicContact CZ-CB 4.17Å; F15-E113 HydrophobicContact CZ-CG 4.35Å; F15-L114 HydrophobicContact CB-CD1 3.72Å; F15-L114 HydrophobicContact CD1-CB 3.88Å; F15-L114 HydrophobicContact CD1-CD1 3.87Å; F15-L114 HydrophobicContact CD1-CD2 4.12Å; F15-L114 HydrophobicContact CD1-CG 4.17Å; F15-L114 HydrophobicContact CD2-CD1 4.2Å; F15-L114 HydrophobicContact CE1-CB 3.71Å; F15-L114 HydrophobicContact CE1-CG 4.48Å; F15-L114 HydrophobicContact CE2-CB 4.33Å; F15-L114 HydrophobicContact CG-CB 4.28Å; F15-L114 HydrophobicContact CG-CD1 3.65Å; F15-L114 HydrophobicContact CG-CG 4.41Å; F15-L114 HydrophobicContact CZ-CB 3.93Å; F15-W120 VanDerWaalsContact CA-CH2 3.45Å; F15-W120 HydrophobicContact CB-CD2 4.18Å; F15-W120 HydrophobicContact CB-CE3 4.02Å; F15-W120 HydrophobicContact CB-CH2 3.83Å; F15-W120 HydrophobicContact CB-CZ2 3.99Å; F15-W120 HydrophobicContact CB-CZ3 3.85Å; F15-W120 AromaticContact CD2-CD1 3.88Å; F15-W120 AromaticContact CD2-CD2 3.96Å; F15-W120 HydrophobicContact CD2-CD2 3.96Å; F15-W120 AromaticContact CD2-CE2 3.4Å; F15-W120 VanDerWaalsContact CD2-CE2 3.4Å; F15-W120 HydrophobicContact CD2-CG 4.28Å; F15-W120 HydrophobicContact CD2-CH2 4.37Å; F15-W120 AromaticContact CD2-CZ2 3.64Å; F15-W120 HydrophobicContact CD2-CZ2 3.64Å; F15-W120 AromaticContact CD2-NE1 3.35Å; F15-W120 VanDerWaalsContact CD2-NE1 3.35Å; F15-W120 AromaticContact CE2-NE1 3.72Å; F15-W120 HydrophobicContact CG-CD2 4.46Å; F15-W120 HydrophobicContact CG-CZ2 4.32Å |
| 16 | F | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.1 | -33 | -178.2 | -81.2 | -70.2 | 0 | 0 | 0 | 112.7 | F12 L13 S18 K19 G20 H21 T63 N96 F110 L114 W212 | F12-F16 HydrophobicContact CD1-CD2 4.17Å; F12-F16 HydrophobicContact CD2-CD2 4.12Å; F12-F16 AromaticContact CD2-CE2 3.95Å; F12-F16 HydrophobicContact CD2-CE2 3.95Å; F12-F16 AromaticContact CE1-CD2 3.8Å; F12-F16 HydrophobicContact CE1-CD2 3.8Å; F12-F16 HydrophobicContact CE1-CE2 4.18Å; F12-F16 AromaticContact CE2-CD2 3.78Å; F12-F16 HydrophobicContact CE2-CD2 3.78Å; F12-F16 AromaticContact CE2-CE2 3.36Å; F12-F16 HydrophobicContact CE2-CE2 3.36Å; F12-F16 HydrophobicContact CE2-CZ 4.48Å; F12-F16 HydrophobicContact CG-CD2 4.32Å; F12-F16 AromaticContact CZ-CD2 3.59Å; F12-F16 HydrophobicContact CZ-CD2 3.59Å; F12-F16 AromaticContact CZ-CE2 3.48Å; F12-F16 HydrophobicContact CZ-CE2 3.48Å; F12-F16 VanDerWaalsContact CZ-CE2 3.48Å; F12-F16 PolarHBondContact O-N 3.49Å; F12-F16 VanDerWaalsContact O-N 3.13Å; L13-F16 PolarHBondContact O-N 3.26Å; F16-S18 VanDerWaalsContact C-N 3.26Å; F16-S18 PolarHBondContact O-N 2.96Å; F16-K19 CarbonylContact O-C 3.59Å; F16-K19 WeakPolarHBondContact O-CA 3.16Å; F16-K19 WeakPolarHBondContact O-CB 3.49Å; F16-K19 PolarHBondContact O-N 2.63Å; F16-G20 PolarHBondContact O-N 3.3Å; F16-H21 HydrophobicContact CB-CB 4.01Å; F16-H21 AromaticContact CD1-CE1 3.73Å; F16-H21 AromaticContact CD1-ND1 3.73Å; F16-H21 VanDerWaalsContact O-CB 3.3Å; F16-H21 WeakPolarHBondContact O-CB 3.34Å; F16-H21 PolarHBondContact O-N 3.1Å; F16-H21 PolarHBondContact O-ND1 3.42Å; F16-T63 HydrophobicContact CB-CG2 3.83Å; F16-N96 HydrophobicContact CD1-CB 3.54Å; F16-N96 HydrophobicContact CD2-CB 3.97Å; F16-N96 HydrophobicContact CE1-CB 3.42Å; F16-N96 VanDerWaalsContact CE1-CB 3.42Å; F16-N96 HydrophobicContact CE2-CB 3.87Å; F16-N96 HydrophobicContact CG-CB 3.82Å; F16-N96 HydrophobicContact CZ-CB 3.6Å; F16-N96 WeakPolarHBondContact CZ-OD1 3.44Å; F16-F110 HydrophobicContact CE1-CB 4.09Å; F16-F110 HydrophobicContact CE1-CD2 4.27Å; F16-F110 HydrophobicContact CE1-CG 4.5Å; F16-F110 HydrophobicContact CZ-CB 4.44Å; F16-L114 HydrophobicContact CE2-CD2 4.19Å; F16-W212 AromaticContact CE2-CH2 3.99Å; F16-W212 HydrophobicContact CE2-CH2 3.99Å; F16-W212 AromaticContact CE2-CZ2 4Å; F16-W212 HydrophobicContact CE2-CZ2 4Å; F16-W212 AromaticContact CZ-CH2 3.85Å; F16-W212 HydrophobicContact CZ-CH2 3.85Å; F16-W212 AromaticContact CZ-CZ2 3.85Å; F16-W212 HydrophobicContact CZ-CZ2 3.85Å |
| 17 | H | 98.1 | Very high | 96.7 | Very high | 116 Ų | 116 | 44 Ų | 44 | 54% | 0.537 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.2 | -41.7 | 168.1 | -179.5 | -100.8 | 0 | 0 | 0 | 111.4 | L13 F15 K19 G20 V23 | L13-H17 WeakPolarHBondContact O-CB 3.44Å; L13-H17 PolarHBondContact O-N 3.37Å; F15-H17 PolarHBondContact O-N 3.24Å; H17-K19 PolarHBondContact O-N 3.25Å; H17-G20 PolarHBondContact O-N 3.06Å; H17-V23 HydrophobicContact CB-CG2 3.96Å |
| 18 | S | 97.9 | Very high | 96.5 | Very high | 70 Ų | 70 | 40 Ų | 40 | 49% | 0.49 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.8 | -16.5 | 174.1 | 84.9 | 0 | 0 | 0 | 0 | 114.3 | D14 F15 F16 | D14-S18 WeakPolarHBondContact O-CB 3.41Å; D14-S18 PolarHBondContact O-N 3.45Å; F15-S18 WeakPolarHBondContact O-CA 3.18Å; F15-S18 WeakPolarHBondContact O-CB 3.38Å; F15-S18 PolarHBondContact O-N 3.19Å; F15-S18 PolarHBondContact O-OG 2.97Å; F16-S18 VanDerWaalsContact C-N 3.26Å; F16-S18 PolarHBondContact O-N 2.96Å |
| 19 | K | 97.9 | Very high | 96.3 | Very high | 47 Ų | 47 | 40 Ų | 40 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 10.6 | 172.4 | -55.6 | -55.7 | -177.9 | 176.4 | 0 | 113.2 | F15 F16 H17 R61 F110 E113 | F15-K19 HydrophobicContact CE1-CG 4.38Å; F15-K19 VanDerWaalsContact CE2-CE 3.41Å; F15-K19 HydrophobicContact CZ-CG 4.28Å; F15-K19 PolarHBondContact O-N 3.36Å; F16-K19 CarbonylContact O-C 3.59Å; F16-K19 WeakPolarHBondContact O-CA 3.16Å; F16-K19 WeakPolarHBondContact O-CB 3.49Å; F16-K19 PolarHBondContact O-N 2.63Å; H17-K19 PolarHBondContact O-N 3.25Å; K19-R61 PolarHBondContact O-NH1 3.44Å; K19-F110 HydrophobicContact CB-CE2 4.48Å; K19-F110 HydrophobicContact CB-CZ 4.32Å; K19-F110 HydrophobicContact CD-CD1 4.04Å; K19-F110 HydrophobicContact CD-CE1 3.82Å; K19-F110 HydrophobicContact CD-CZ 4.42Å; K19-F110 HydrophobicContact CG-CD1 4.16Å; K19-F110 HydrophobicContact CG-CE1 4.14Å; K19-F110 HydrophobicContact CG-CG 4.48Å; K19-F110 HydrophobicContact CG-CZ 4.43Å; K19-E113 WeakPolarHBondContact CE-OE2 3.35Å; K19-E113 IonicContact NZ-OE1 3Å; K19-E113 PolarHBondContact NZ-OE1 2.86Å; K19-E113 IonicContact NZ-OE2 2.65Å; K19-E113 PolarHBondContact NZ-OE2 2.84Å |
| 20 | G | 97.4 | Very high | 95.8 | Very high | 55 Ų | 55 | 41.1 Ų | 41.1 | 57% | 0.567 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 14.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | F16 H17 | F16-G20 PolarHBondContact O-N 3.3Å; H17-G20 PolarHBondContact O-N 3.06Å |
| 21 | H | 98.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.009 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 133.5 | 172.2 | -65.7 | 65.6 | 0 | 0 | 0 | 110.9 | F16 V23 R61 A62 T63 F97 Y102 | F16-H21 HydrophobicContact CB-CB 4.01Å; F16-H21 AromaticContact CD1-CE1 3.73Å; F16-H21 AromaticContact CD1-ND1 3.73Å; F16-H21 VanDerWaalsContact O-CB 3.3Å; F16-H21 WeakPolarHBondContact O-CB 3.34Å; F16-H21 PolarHBondContact O-N 3.1Å; F16-H21 PolarHBondContact O-ND1 3.42Å; H21-V23 PolarHBondContact O-N 3.45Å; H21-R61 HydrophobicContact CB-CB 4.27Å; H21-A62 PolarHBondContact CD2-O 3.1Å; H21-T63 HydrophobicContact CB-CG2 3.92Å; H21-F97 PolarHBondContact CD2-O 3.05Å; H21-Y102 AromaticContact CE1-CE1 3.47Å; H21-Y102 VanDerWaalsContact CE1-CE1 3.47Å; H21-Y102 WeakPolarHBondContact CE1-CE1 3.46Å; H21-Y102 AromaticContact CE1-CZ 3.82Å; H21-Y102 PolarHBondContact CE1-OH 3.23Å; H21-Y102 AromaticContact NE2-CE1 3.34Å; H21-Y102 VanDerWaalsContact NE2-CE1 3.34Å; H21-Y102 WeakPolarHBondContact NE2-CE1 3.28Å; H21-Y102 AromaticContact NE2-CZ 3.54Å; H21-Y102 PolarHBondContact NE2-OH 3.04Å |
| 22 | Q | 98.1 | Very high | 93.8 | Very high | 98 Ų | 98 | 41.9 Ų | 41.9 | 46% | 0.458 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 123.8 | 168.1 | 179.3 | 59.3 | 54.4 | 0 | 0 | 109.2 | V24 Y59 R61 A62 T63 | Q22-V24 HydrophobicContact CB-CG2 4.44Å; Q22-V24 HydrophobicContact CG-CG2 3.94Å; Q22-V24 PolarHBondContact O-N 2.55Å; Q22-Y59 HydrophobicContact CB-CD1 3.92Å; Q22-Y59 HydrophobicContact CB-CD2 4.23Å; Q22-Y59 HydrophobicContact CB-CE1 4.43Å; Q22-Y59 HydrophobicContact CB-CG 3.8Å; Q22-Y59 HydrophobicContact CG-CD1 3.76Å; Q22-Y59 HydrophobicContact CG-CE1 3.97Å; Q22-Y59 HydrophobicContact CG-CG 4.19Å; Q22-R61 PolarHBondContact N-O 2.91Å; Q22-A62 CarbonylContact O-C 3.44Å; Q22-A62 VanDerWaalsContact O-CA 3.29Å; Q22-A62 WeakPolarHBondContact O-CA 3.35Å; Q22-T63 PolarHBondContact O-N 3.08Å |
| 23 | V | 96.6 | Very high | 92.2 | Very high | 58 Ų | 58 | 48.2 Ų | 48.2 | 35% | 0.352 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 119.2 | 169.8 | -178.5 | 0 | 0 | 0 | 0 | 108 | L13 H17 H21 T63 | L13-V23 HydrophobicContact CD1-CG1 4.46Å; L13-V23 HydrophobicContact CD2-CG1 4.34Å; H17-V23 HydrophobicContact CB-CG2 3.96Å; H21-V23 PolarHBondContact O-N 3.45Å; V23-T63 HydrophobicContact CB-CG2 4.36Å; V23-T63 HydrophobicContact CG2-CG2 3.83Å |
| 24 | V | 94.9 | Very high | 90.8 | Very high | 26 Ų | 26 | 48 Ų | 48 | 16% | 0.158 | 29% | 0.285 | C | S | . | . | trans | -115.1 | 139 | -179.3 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | Q22 F47 Y59 A62 T63 T64 | Q22-V24 HydrophobicContact CB-CG2 4.44Å; Q22-V24 HydrophobicContact CG-CG2 3.94Å; Q22-V24 PolarHBondContact O-N 2.55Å; V24-F47 HydrophobicContact CB-CZ 4.23Å; V24-F47 HydrophobicContact CG1-CE1 4.37Å; V24-F47 HydrophobicContact CG1-CZ 4.08Å; V24-F47 HydrophobicContact CG2-CZ 4.41Å; V24-Y59 HydrophobicContact CG2-CE2 4.43Å; V24-A62 HydrophobicContact CG2-CB 4.05Å; V24-T63 PolarHBondContact N-O 2.86Å; V24-T64 HydrophobicContact CB-CG2 3.83Å; V24-T64 HydrophobicContact CG1-CG2 4.32Å | ||
| 25 | A | 92.3 | Very high | 89.3 | Confident | 81 Ų | 81 | 48.8 Ų | 48.8 | 67% | 0.669 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 155.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S27 | A25-S27 PolarHBondContact O-N 3.2Š|
| 26 | S | 93.2 | Very high | 87.9 | Confident | 34 Ų | 34 | 52.4 Ų | 52.4 | 24% | 0.238 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 131.6 | 170 | -176.9 | 0 | 0 | 0 | 0 | 110 | S65 Q66 R67 | S26-S65 WeakPolarHBondContact CB-O 3.29Å; S26-Q66 PolarHBondContact OG-NE2 3.18Å; S26-Q66 VanDerWaalsContact OG-NE2 3.07Å; S26-R67 PolarHBondContact OG-N 2.84Å; S26-R67 PolarHBondContact OG-NE 3.32Å |
| 27 | S | 91.6 | Very high | 86.8 | Confident | 26 Ų | 26 | 53.2 Ų | 53.2 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 171.7 | 165.9 | 66 | 0 | 0 | 0 | 0 | 111.5 | A25 Q66 R67 | A25-S27 PolarHBondContact O-N 3.2Å; S27-Q66 PolarHBondContact O-NE2 2.91Å; S27-Q66 VanDerWaalsContact OG-CD 3.26Å; S27-Q66 PolarHBondContact OG-NE2 2.78Å; S27-Q66 PolarHBondContact OG-OE1 2.89Å; S27-R67 PolarHBondContact O-NH2 3.5Å |
| 28 | S | 92.1 | Very high | 86.1 | Confident | 24 Ų | 24 | 50.4 Ų | 50.4 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 149.6 | 173.5 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | V30 T40 D297 | S28-V30 WeakPolarHBondContact CB-O 3.37Å; S28-V30 PolarHBondContact O-N 2.88Å; S28-V30 PolarHBondContact OG-N 2.8Å; S28-T40 WeakPolarHBondContact O-CB 3.29Å; S28-T40 PolarHBondContact O-OG1 3.37Å; S28-D297 WeakPolarHBondContact CA-OD2 3.44Å; S28-D297 WeakPolarHBondContact OG-CB 3.45Å; S28-D297 PolarHBondContact OG-OD2 2.95Å |
| 29 | L | 92.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -63.5 | -16 | 165.3 | -68.5 | 177.9 | 0 | 0 | 0 | 112.4 | P31 F39 T40 R67 V69 F90 F293 L294 D297 | L29-P31 WeakPolarHBondContact O-CD 3.32Å; L29-F39 CarbonylContact O-C 3.44Å; L29-F39 VanDerWaalsContact O-CA 3.28Å; L29-F39 WeakPolarHBondContact O-CA 3.45Å; L29-T40 PolarHBondContact O-N 3.15Å; L29-R67 HydrophobicContact CD2-CB 3.87Å; L29-R67 WeakPolarHBondContact CD2-O 3.41Å; L29-R67 HydrophobicContact CG-CB 4.48Å; L29-V69 HydrophobicContact CD1-CG2 3.82Å; L29-V69 HydrophobicContact CD2-CB 4.44Å; L29-V69 HydrophobicContact CD2-CG2 3.82Å; L29-V69 HydrophobicContact CG-CG2 4.36Å; L29-F90 HydrophobicContact CD1-CD2 4.3Å; L29-F90 HydrophobicContact CD1-CE2 4.2Å; L29-F90 HydrophobicContact CD2-CE2 4.45Å; L29-F293 HydrophobicContact CD1-CB 3.69Å; L29-L294 HydrophobicContact CB-CD2 3.86Å; L29-L294 HydrophobicContact CD1-CD2 3.84Å; L29-L294 HydrophobicContact CD1-CG 3.91Å; L29-D297 WeakPolarHBondContact CB-OD2 3.49Å; L29-D297 WeakPolarHBondContact CG-OD2 3.48Å; L29-D297 PolarHBondContact N-OD2 3.23Å |
| 30 | V | 86 | Confident | 85.3 | Confident | 36 Ų | 36 | 45.4 Ų | 45.4 | 22% | 0.218 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -93.9 | 112.6 | 170.1 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | S28 H32 V299 | S28-V30 WeakPolarHBondContact CB-O 3.37Å; S28-V30 PolarHBondContact O-N 2.88Å; S28-V30 PolarHBondContact OG-N 2.8Å; V30-H32 PolarHBondContact O-N 3.16Å; V30-V299 HydrophobicContact CG2-CG2 3.46Å; V30-V299 VanDerWaalsContact CG2-CG2 3.46Å |
| 31 | P | 81.5 | Confident | 85 | Confident | 16 Ų | 16 | 43.6 Ų | 43.6 | 10% | 0.104 | 26% | 0.256 | C | S | . | . | trans | -59.2 | 132.6 | 175 | -23.8 | 34.3 | 0 | 0 | 0 | 110.9 | L29 D34 L37 | L29-P31 WeakPolarHBondContact O-CD 3.32Å; P31-D34 HydrophobicContact CB-CB 3.94Å; P31-L37 HydrophobicContact CB-CB 4.42Å; P31-L37 HydrophobicContact CG-CB 3.77Å | ||
| 32 | H | 70.4 | Confident | 84.6 | Confident | 99 Ų | 99 | 43.7 Ų | 43.7 | 46% | 0.458 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -85.3 | 131.7 | 174 | -173.3 | -81.5 | 0 | 0 | 0 | 109.4 | V30 D34 E647 | V30-H32 PolarHBondContact O-N 3.16Å; H32-D34 PolarHBondContact O-N 3.4Å; H32-E647 IonicContact CD2-OE1 2.6Å; H32-E647 IonicContact CD2-OE2 3.45Å; H32-E647 IonicContact CE1-OE1 3.38Å; H32-E647 IonicContact CE1-OE2 3.79Å; H32-E647 IonicContact NE2-OE1 3.27Å; H32-E647 PolarHBondContact NE2-OE1 3.35Å; H32-E647 IonicContact NE2-OE2 2.65Å; H32-E647 PolarHBondContact NE2-OE2 3.35Å |
| 33 | N | 63.7 | Low | 84.4 | Confident | 133 Ų | 133 | 39.1 Ų | 39.1 | 71% | 0.711 | 24% | 0.236 | S | C | * | . | S | Bend | trans | 51.9 | 19 | 179.4 | -71.9 | -13.7 | 0 | 0 | 0 | 116.4 | P35 | N33-P35 WeakPolarHBondContact O-CD 3.33Š|
| 34 | D | 69.5 | Low | 84.2 | Confident | 15 Ų | 15 | 36.3 Ų | 36.3 | 8% | 0.08 | 22% | 0.22 | C | C | . | . | trans | -115.8 | 97.9 | 174.8 | -161.7 | -26.2 | 0 | 0 | 0 | 110.9 | P31 H32 T36 K48 | P31-D34 HydrophobicContact CB-CB 3.94Å; H32-D34 PolarHBondContact O-N 3.4Å; D34-T36 PolarHBondContact O-N 3.35Å; D34-T36 VanDerWaalsContact OD1-CB 3.32Å; D34-T36 WeakPolarHBondContact OD1-CB 3.27Å; D34-T36 PolarHBondContact OD1-N 3.13Å; D34-T36 PolarHBondContact OD1-OG1 3.36Å; D34-K48 IonicContact OD1-NZ 3.47Å; D34-K48 IonicContact OD2-NZ 2.89Å; D34-K48 PolarHBondContact OD2-NZ 3.04Å | ||
| 35 | P | 65.2 | Low | 83.9 | Confident | 89 Ų | 89 | 36 Ų | 36 | 58% | 0.578 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -9.2 | 177.7 | 31.8 | -34.2 | 0 | 0 | 0 | 113 | N33 L37 Y446 | N33-P35 WeakPolarHBondContact O-CD 3.33Å; P35-L37 VanDerWaalsContact C-N 3.3Å; P35-Y446 HydrophobicContact CG-CD2 4.4Å; P35-Y446 HydrophobicContact CG-CE2 3.64Å |
| 36 | T | 68.7 | Low | 83.9 | Confident | 75 Ų | 75 | 33.1 Ų | 33.1 | 46% | 0.46 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -16.7 | -179.2 | 71.5 | 0 | 0 | 0 | 0 | 112.7 | D34 | D34-T36 PolarHBondContact O-N 3.35Å; D34-T36 VanDerWaalsContact OD1-CB 3.32Å; D34-T36 WeakPolarHBondContact OD1-CB 3.27Å; D34-T36 PolarHBondContact OD1-N 3.13Å; D34-T36 PolarHBondContact OD1-OG1 3.36Å |
| 37 | L | 76.5 | Confident | 83.9 | Confident | 17 Ų | 17 | 31.6 Ų | 31.6 | 9% | 0.089 | 18% | 0.179 | C | C | . | . | trans | -118.9 | 129.4 | -176.9 | -67 | 178.5 | 0 | 0 | 0 | 112.5 | P31 P35 N45 M173 R306 | P31-L37 HydrophobicContact CB-CB 4.42Å; P31-L37 HydrophobicContact CG-CB 3.77Å; P35-L37 VanDerWaalsContact C-N 3.3Å; L37-N45 HydrophobicContact CD1-CB 4.48Å; L37-N45 WeakPolarHBondContact CD1-ND2 3.48Å; L37-M173 HydrophobicContact CD1-CE 3.92Å; L37-M173 HydrophobicContact CD1-CG 4.22Å; L37-M173 HydrophobicContact CD1-SD 3.86Å; L37-M173 HydrophobicContact CG-CE 4.3Å; L37-R306 PolarHBondContact O-NH2 2.81Å | ||
| 38 | L | 82.5 | Confident | 83.7 | Confident | 58 Ų | 58 | 32 Ų | 32 | 30% | 0.304 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -72.3 | -43.9 | 172.6 | -168.4 | 67.3 | 0 | 0 | 0 | 111.1 | R306 V309 | L38-R306 HydrophobicContact CD1-CG 3.65Å; L38-R306 HydrophobicContact CG-CG 4.07Å; L38-R306 WeakPolarHBondContact O-CD 3.26Å; L38-R306 PolarHBondContact O-NE 2.94Å; L38-V309 HydrophobicContact CD2-CG2 3.66Å |
| 39 | F | 89.4 | Confident | 83.5 | Confident | 10 Ų | 10 | 34.6 Ų | 34.6 | 4% | 0.044 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -136.7 | 155.2 | 176 | -61.4 | -66.8 | 0 | 0 | 0 | 110.4 | L29 N41 V69 A71 L294 R306 V309 | L29-F39 CarbonylContact O-C 3.44Å; L29-F39 VanDerWaalsContact O-CA 3.28Å; L29-F39 WeakPolarHBondContact O-CA 3.45Å; F39-N41 PolarHBondContact O-N 3.43Å; F39-V69 HydrophobicContact CB-CB 3.97Å; F39-V69 HydrophobicContact CB-CG1 4.17Å; F39-V69 HydrophobicContact CD2-CG1 3.79Å; F39-V69 HydrophobicContact CE2-CG1 4.37Å; F39-V69 HydrophobicContact CG-CB 4.2Å; F39-V69 HydrophobicContact CG-CG1 3.97Å; F39-A71 WeakPolarHBondContact CD2-O 3.42Å; F39-L294 HydrophobicContact CD1-CD2 3.6Å; F39-L294 HydrophobicContact CE1-CD1 4.35Å; F39-L294 HydrophobicContact CE1-CD2 3.35Å; F39-L294 HydrophobicContact CZ-CD1 4.4Å; F39-L294 HydrophobicContact CZ-CD2 4.18Å; F39-R306 HydrophobicContact CD1-CG 4.4Å; F39-R306 HydrophobicContact CE1-CB 3.75Å; F39-R306 HydrophobicContact CE1-CG 3.72Å; F39-R306 HydrophobicContact CZ-CB 3.82Å; F39-R306 HydrophobicContact CZ-CG 3.98Å; F39-V309 HydrophobicContact CE2-CB 3.8Å; F39-V309 HydrophobicContact CE2-CG1 3.72Å; F39-V309 HydrophobicContact CE2-CG2 4.2Å; F39-V309 HydrophobicContact CZ-CB 4.02Å; F39-V309 HydrophobicContact CZ-CG1 4.27Å |
| 40 | T | 91.4 | Very high | 83.5 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | trans | -60.8 | 115.5 | 168.9 | -58.3 | 0 | 0 | 0 | 0 | 108.5 | S28 L29 N45 Q66 C68 V69 | S28-T40 WeakPolarHBondContact O-CB 3.29Å; S28-T40 PolarHBondContact O-OG1 3.37Å; L29-T40 PolarHBondContact O-N 3.15Å; T40-N45 WeakPolarHBondContact CA-OD1 3.44Å; T40-N45 HydrophobicContact CG2-CB 4.21Å; T40-N45 WeakPolarHBondContact CG2-OD1 3.48Å; T40-Q66 HydrophobicContact CG2-CG 4.01Å; T40-C68 CarbonylContact O-C 3.54Å; T40-C68 VanDerWaalsContact O-CA 3.29Å; T40-C68 WeakPolarHBondContact O-CA 3.47Å; T40-V69 PolarHBondContact O-N 3.44Å | ||
| 41 | N | 89.6 | Confident | 83.7 | Confident | 16 Ų | 16 | 33.9 Ų | 33.9 | 9% | 0.086 | 19% | 0.185 | C | C | . | . | trans | -112.8 | -11.6 | -174.1 | 67.3 | -17.4 | 0 | 0 | 0 | 112.9 | F39 N45 C68 | F39-N41 PolarHBondContact O-N 3.43Å; N41-N45 PolarHBondContact N-OD1 3.16Å; N41-N45 PolarHBondContact OD1-ND2 3.42Å; N41-N45 PolarHBondContact OD1-OD1 2.7Å; N41-N45 VanDerWaalsContact OD1-OD1 3.08Å; N41-C68 VanDerWaalsContact C-SG 3.58Å | ||
| 42 | A | 91.2 | Very high | 84 | Confident | 5 Ų | 5 | 34.7 Ų | 34.7 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -145.3 | 155.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M44 N45 M93 W171 | A42-M44 HydrophobicContact CB-CG 4.15Å; A42-M44 PolarHBondContact O-N 3.16Å; A42-N45 PolarHBondContact N-OD1 3.25Å; A42-N45 PolarHBondContact O-N 3.35Å; A42-N45 PolarHBondContact O-OD1 3.49Å; A42-M93 HydrophobicContact CB-CE 4.48Å; A42-M93 HydrophobicContact CB-SD 4.07Å; A42-W171 HydrophobicContact CB-CZ2 4.01Å |
| 43 | G | 93.1 | Very high | 84.7 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -56.3 | -38.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N45 M93 | G43-N45 VanDerWaalsContact C-N 3.31Å; G43-N45 PolarHBondContact O-N 2.9Å; G43-M93 PolarHBondContact N-SD 3.49Å |
| 44 | M | 92.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -71.2 | -18.3 | -174.1 | 75.3 | 79.3 | 67 | 0 | 0 | 115 | A42 Q46 F47 K48 F51 F97 W171 M173 P178 M217 D236 | A42-M44 HydrophobicContact CB-CG 4.15Å; A42-M44 PolarHBondContact O-N 3.16Å; M44-Q46 PolarHBondContact O-N 3.16Å; M44-F47 WeakPolarHBondContact O-CA 3.22Å; M44-F47 PolarHBondContact O-N 3.47Å; M44-K48 PolarHBondContact O-N 3.38Å; M44-F51 HydrophobicContact CB-CE2 4Å; M44-F51 HydrophobicContact CE-CD2 3.94Å; M44-F51 HydrophobicContact CE-CE2 4.01Å; M44-F97 HydrophobicContact CB-CD1 4.47Å; M44-F97 HydrophobicContact CB-CE1 3.96Å; M44-W171 HydrophobicContact CE-CH2 4.23Å; M44-W171 HydrophobicContact CE-CZ3 4.06Å; M44-W171 HydrophobicContact CG-CH2 3.41Å; M44-W171 VanDerWaalsContact CG-CH2 3.41Å; M44-W171 HydrophobicContact CG-CZ2 4.19Å; M44-W171 HydrophobicContact CG-CZ3 4.03Å; M44-W171 HydrophobicContact SD-CH2 3.72Å; M44-W171 HydrophobicContact SD-CZ3 4.17Å; M44-M173 HydrophobicContact SD-CB 4.33Å; M44-M173 HydrophobicContact SD-CG 4.04Å; M44-M173 HydrophobicContact SD-SD 3.55Å; M44-P178 HydrophobicContact CE-CB 4.13Å; M44-P178 HydrophobicContact CE-CG 4.43Å; M44-M217 HydrophobicContact CE-CE 3.83Å; M44-M217 HydrophobicContact CE-SD 4.24Å; M44-D236 HydrophobicContact CB-CB 4.4Å; M44-D236 VanDerWaalsContact CB-CG 3.5Å; M44-D236 WeakPolarHBondContact CB-OD1 3.49Å; M44-D236 WeakPolarHBondContact CB-OD2 3.43Å; M44-D236 WeakPolarHBondContact CG-OD2 3.36Å |
| 45 | N | 89.6 | Confident | 86.2 | Confident | 18 Ų | 18 | 30.9 Ų | 30.9 | 10% | 0.096 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -54.4 | -37.9 | -173.4 | -61.1 | 144.8 | 0 | 0 | 0 | 111.3 | L37 T40 N41 A42 G43 F47 M173 | L37-N45 HydrophobicContact CD1-CB 4.48Å; L37-N45 WeakPolarHBondContact CD1-ND2 3.48Å; T40-N45 WeakPolarHBondContact CA-OD1 3.44Å; T40-N45 HydrophobicContact CG2-CB 4.21Å; T40-N45 WeakPolarHBondContact CG2-OD1 3.48Å; N41-N45 PolarHBondContact N-OD1 3.16Å; N41-N45 PolarHBondContact OD1-ND2 3.42Å; N41-N45 PolarHBondContact OD1-OD1 2.7Å; N41-N45 VanDerWaalsContact OD1-OD1 3.08Å; A42-N45 PolarHBondContact N-OD1 3.25Å; A42-N45 PolarHBondContact O-N 3.35Å; A42-N45 PolarHBondContact O-OD1 3.49Å; G43-N45 VanDerWaalsContact C-N 3.31Å; G43-N45 PolarHBondContact O-N 2.9Å; N45-F47 PolarHBondContact O-N 3Å; N45-M173 WeakPolarHBondContact ND2-CG 3.41Å; N45-M173 PolarHBondContact ND2-SD 2.9Å |
| 46 | Q | 91.1 | Very high | 87 | Confident | 22 Ų | 22 | 35.6 Ų | 35.6 | 10% | 0.103 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -73.4 | -6.9 | -179.3 | 75.4 | 177.8 | -64.6 | 0 | 0 | 114.8 | M44 K648 | M44-Q46 PolarHBondContact O-N 3.16Å; Q46-K648 PolarHBondContact O-NZ 3.08Å |
| 47 | F | 92.7 | Very high | 87.9 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -118.9 | 7.3 | -177 | -56.6 | -65.3 | 0 | 0 | 0 | 113.1 | V24 M44 N45 D49 V50 F51 A62 T64 F97 F99 | V24-F47 HydrophobicContact CB-CZ 4.23Å; V24-F47 HydrophobicContact CG1-CE1 4.37Å; V24-F47 HydrophobicContact CG1-CZ 4.08Å; V24-F47 HydrophobicContact CG2-CZ 4.41Å; M44-F47 WeakPolarHBondContact O-CA 3.22Å; M44-F47 PolarHBondContact O-N 3.47Å; N45-F47 PolarHBondContact O-N 3Å; F47-D49 VanDerWaalsContact C-N 3.31Å; F47-D49 PolarHBondContact O-N 3.41Å; F47-V50 WeakPolarHBondContact O-CA 3.49Å; F47-V50 WeakPolarHBondContact O-CB 3.44Å; F47-V50 PolarHBondContact O-N 3.37Å; F47-F51 HydrophobicContact CB-CD2 4.03Å; F47-F51 HydrophobicContact CB-CE2 3.64Å; F47-F51 HydrophobicContact CB-CZ 4.37Å; F47-F51 WeakPolarHBondContact O-CD2 3.15Å; F47-F51 PolarHBondContact O-N 3.14Å; F47-A62 HydrophobicContact CE1-CB 4.2Å; F47-A62 HydrophobicContact CZ-CB 3.99Å; F47-T64 HydrophobicContact CE2-CG2 3.86Å; F47-T64 HydrophobicContact CZ-CG2 3.81Å; F47-F97 HydrophobicContact CD2-CD1 4.02Å; F47-F97 AromaticContact CD2-CD2 3.84Å; F47-F97 HydrophobicContact CD2-CD2 3.84Å; F47-F97 HydrophobicContact CD2-CE1 4.05Å; F47-F97 AromaticContact CD2-CE2 3.94Å; F47-F97 HydrophobicContact CD2-CE2 3.94Å; F47-F97 AromaticContact CD2-CG 3.91Å; F47-F97 HydrophobicContact CD2-CG 3.91Å; F47-F97 HydrophobicContact CD2-CZ 4.02Å; F47-F97 HydrophobicContact CE2-CD1 4.39Å; F47-F97 AromaticContact CE2-CD2 3.43Å; F47-F97 HydrophobicContact CE2-CD2 3.43Å; F47-F97 VanDerWaalsContact CE2-CD2 3.43Å; F47-F97 HydrophobicContact CE2-CE1 4.28Å; F47-F97 AromaticContact CE2-CE2 3.35Å; F47-F97 HydrophobicContact CE2-CE2 3.35Å; F47-F97 AromaticContact CE2-CG 3.99Å; F47-F97 HydrophobicContact CE2-CG 3.99Å; F47-F97 AromaticContact CE2-CZ 3.79Å; F47-F97 HydrophobicContact CE2-CZ 3.79Å; F47-F97 HydrophobicContact CZ-CD2 4.16Å; F47-F97 HydrophobicContact CZ-CE2 4.28Å; F47-F99 HydrophobicContact CB-CE1 3.77Å; F47-F99 HydrophobicContact CB-CZ 3.95Å; F47-F99 HydrophobicContact CD1-CE1 4.32Å; F47-F99 HydrophobicContact CD1-CE2 4.48Å; F47-F99 AromaticContact CD1-CZ 3.63Å; F47-F99 HydrophobicContact CD1-CZ 3.63Å; F47-F99 HydrophobicContact CD2-CZ 4.34Å; F47-F99 HydrophobicContact CE1-CZ 4.19Å; F47-F99 HydrophobicContact CG-CE1 4.07Å; F47-F99 AromaticContact CG-CZ 3.72Å; F47-F99 HydrophobicContact CG-CZ 3.72Å |
| 48 | K | 88.6 | Confident | 88.5 | Confident | 34 Ų | 34 | 41.3 Ų | 41.3 | 15% | 0.148 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -47.9 | -51.5 | -179.3 | -172 | -176.8 | -172.1 | 177.7 | 0 | 112.5 | D34 M44 V50 F51 L52 M173 P178 | D34-K48 IonicContact OD1-NZ 3.47Å; D34-K48 IonicContact OD2-NZ 2.89Å; D34-K48 PolarHBondContact OD2-NZ 3.04Å; M44-K48 PolarHBondContact O-N 3.38Å; K48-V50 PolarHBondContact O-N 3Å; K48-F51 PolarHBondContact O-N 3.45Å; K48-L52 HydrophobicContact CG-CD1 4.05Å; K48-L52 WeakPolarHBondContact O-CG 3.47Å; K48-L52 PolarHBondContact O-N 3.34Å; K48-M173 HydrophobicContact CD-CE 4.34Å; K48-P178 HydrophobicContact CG-CG 4.28Å |
| 49 | D | 88.4 | Confident | 89.1 | Confident | 79 Ų | 79 | 41.3 Ų | 41.3 | 42% | 0.422 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.2 | -26.5 | -179.1 | -65.7 | -18.6 | 0 | 0 | 0 | 112.9 | F47 G53 L54 D55 | F47-D49 VanDerWaalsContact C-N 3.31Å; F47-D49 PolarHBondContact O-N 3.41Å; D49-G53 PolarHBondContact O-N 3.01Å; D49-G53 VanDerWaalsContact O-N 3.09Å; D49-L54 HydrophobicContact CB-CB 4.1Å; D49-L54 PolarHBondContact O-N 3.15Å; D49-D55 HydrophobicContact CB-CB 3.65Å; D49-D55 PolarHBondContact O-N 3.36Å |
| 50 | V | 91.3 | Very high | 89.3 | Confident | 18 Ų | 18 | 43 Ų | 43 | 11% | 0.109 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.2 | -44.3 | 174.9 | -170.9 | 0 | 0 | 0 | 0 | 110.2 | F47 K48 L52 G53 D55 R57 F99 | F47-V50 WeakPolarHBondContact O-CA 3.49Å; F47-V50 WeakPolarHBondContact O-CB 3.44Å; F47-V50 PolarHBondContact O-N 3.37Å; K48-V50 PolarHBondContact O-N 3Å; V50-L52 VanDerWaalsContact C-N 3.29Å; V50-L52 PolarHBondContact O-N 3.44Å; V50-G53 PolarHBondContact O-N 2.8Å; V50-G53 VanDerWaalsContact O-N 3.13Å; V50-D55 HydrophobicContact CG2-CB 4.15Å; V50-R57 HydrophobicContact CG1-CG 4.38Å; V50-R57 HydrophobicContact CG2-CG 3.82Å; V50-F99 HydrophobicContact CB-CD1 4.12Å; V50-F99 HydrophobicContact CB-CE1 4.13Å; V50-F99 HydrophobicContact CG1-CB 4.07Å; V50-F99 HydrophobicContact CG1-CD1 3.54Å; V50-F99 HydrophobicContact CG1-CD2 3.93Å; V50-F99 HydrophobicContact CG1-CE1 3.92Å; V50-F99 HydrophobicContact CG1-CE2 4.28Å; V50-F99 HydrophobicContact CG1-CG 3.55Å; V50-F99 HydrophobicContact CG1-CZ 4.27Å |
| 51 | F | 91.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.7 | -36.5 | 174.5 | -66.6 | -63 | 0 | 0 | 0 | 112.5 | M44 F47 K48 G53 F97 F99 P178 M217 D236 | M44-F51 HydrophobicContact CB-CE2 4Å; M44-F51 HydrophobicContact CE-CD2 3.94Å; M44-F51 HydrophobicContact CE-CE2 4.01Å; F47-F51 HydrophobicContact CB-CD2 4.03Å; F47-F51 HydrophobicContact CB-CE2 3.64Å; F47-F51 HydrophobicContact CB-CZ 4.37Å; F47-F51 WeakPolarHBondContact O-CD2 3.15Å; F47-F51 PolarHBondContact O-N 3.14Å; K48-F51 PolarHBondContact O-N 3.45Å; F51-G53 VanDerWaalsContact C-N 3.27Å; F51-G53 PolarHBondContact O-N 2.62Å; F51-F97 HydrophobicContact CZ-CB 4.35Å; F51-F97 HydrophobicContact CZ-CD1 4.03Å; F51-F99 AromaticContact CD1-CD1 3.83Å; F51-F99 HydrophobicContact CD1-CD1 3.83Å; F51-F99 HydrophobicContact CD1-CE1 4.12Å; F51-F99 AromaticContact CE1-CD1 3.62Å; F51-F99 HydrophobicContact CE1-CD1 3.62Å; F51-F99 AromaticContact CE1-CE1 3.64Å; F51-F99 HydrophobicContact CE1-CE1 3.64Å; F51-F99 HydrophobicContact CE2-CE1 4.11Å; F51-F99 HydrophobicContact CG-CD1 4.5Å; F51-F99 HydrophobicContact CZ-CD1 4.14Å; F51-F99 AromaticContact CZ-CE1 3.65Å; F51-F99 HydrophobicContact CZ-CE1 3.65Å; F51-P178 HydrophobicContact CB-CB 4.37Å; F51-P178 HydrophobicContact CB-CG 4.18Å; F51-M217 HydrophobicContact CB-CE 3.62Å; F51-M217 HydrophobicContact CD1-CE 3.45Å; F51-M217 VanDerWaalsContact CD1-CE 3.45Å; F51-M217 HydrophobicContact CD1-SD 3.77Å; F51-M217 HydrophobicContact CD2-CE 3.47Å; F51-M217 VanDerWaalsContact CD2-CE 3.47Å; F51-M217 HydrophobicContact CD2-SD 4.06Å; F51-M217 HydrophobicContact CE1-CE 3.87Å; F51-M217 HydrophobicContact CE1-SD 3.54Å; F51-M217 VanDerWaalsContact CE1-SD 3.54Å; F51-M217 HydrophobicContact CE2-CE 3.89Å; F51-M217 HydrophobicContact CE2-SD 3.85Å; F51-M217 HydrophobicContact CG-CE 3.22Å; F51-M217 HydrophobicContact CG-SD 4.02Å; F51-M217 HydrophobicContact CZ-CE 4.07Å; F51-M217 HydrophobicContact CZ-SD 3.56Å; F51-M217 VanDerWaalsContact CZ-SD 3.56Å; F51-D236 HydrophobicContact CZ-CB 4.22Å |
| 52 | L | 88.2 | Confident | 90 | Very high | 32 Ų | 32 | 45.4 Ų | 45.4 | 17% | 0.168 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -8.5 | 176.5 | -65.6 | 173.8 | 0 | 0 | 0 | 113.5 | K48 V50 L54 P178 N220 L230 | K48-L52 HydrophobicContact CG-CD1 4.05Å; K48-L52 WeakPolarHBondContact O-CG 3.47Å; K48-L52 PolarHBondContact O-N 3.34Å; V50-L52 VanDerWaalsContact C-N 3.29Å; V50-L52 PolarHBondContact O-N 3.44Å; L52-L54 VanDerWaalsContact C-N 3.26Å; L52-L54 HydrophobicContact CB-CD1 4.05Å; L52-L54 HydrophobicContact CB-CG 3.94Å; L52-L54 HydrophobicContact CD1-CD1 4.12Å; L52-L54 PolarHBondContact O-N 3.25Å; L52-P178 HydrophobicContact CD2-CG 3.87Å; L52-P178 HydrophobicContact CG-CG 3.95Å; L52-N220 HydrophobicContact CD2-CB 3.95Å; L52-L230 HydrophobicContact CD2-CD2 3.97Å |
| 53 | G | 85.2 | Confident | 90.4 | Very high | 41 Ų | 41 | 45.1 Ų | 45.1 | 42% | 0.423 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | 10.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | D49 V50 F51 | D49-G53 PolarHBondContact O-N 3.01Å; D49-G53 VanDerWaalsContact O-N 3.09Å; V50-G53 PolarHBondContact O-N 2.8Å; V50-G53 VanDerWaalsContact O-N 3.13Å; F51-G53 VanDerWaalsContact C-N 3.27Å; F51-G53 PolarHBondContact O-N 2.62Å |
| 54 | L | 81.3 | Confident | 90.6 | Very high | 84 Ų | 84 | 45.1 Ų | 45.1 | 44% | 0.44 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -79.4 | -26.6 | 178 | -58.4 | 176.5 | 0 | 0 | 0 | 112.2 | D49 L52 | D49-L54 HydrophobicContact CB-CB 4.1Å; D49-L54 PolarHBondContact O-N 3.15Å; L52-L54 VanDerWaalsContact C-N 3.26Å; L52-L54 HydrophobicContact CB-CD1 4.05Å; L52-L54 HydrophobicContact CB-CG 3.94Å; L52-L54 HydrophobicContact CD1-CD1 4.12Å; L52-L54 PolarHBondContact O-N 3.25Å |
| 55 | D | 82 | Confident | 90.8 | Very high | 42 Ų | 42 | 45.8 Ų | 45.8 | 23% | 0.225 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -121.3 | 131.5 | 178.5 | -179.2 | 8.6 | 0 | 0 | 0 | 110.3 | D49 V50 R57 | D49-D55 HydrophobicContact CB-CB 3.65Å; D49-D55 PolarHBondContact O-N 3.36Å; V50-D55 HydrophobicContact CG2-CB 4.15Å; D55-R57 IonicContact OD1-NE 3.79Å; D55-R57 PolarHBondContact OD1-NE 2.88Å; D55-R57 IonicContact OD2-CZ 3.41Å; D55-R57 IonicContact OD2-NE 2.69Å; D55-R57 PolarHBondContact OD2-NE 3Å; D55-R57 IonicContact OD2-NH2 3.79Å; D55-R57 PolarHBondContact OD2-NH2 3.25Å |
| 56 | K | 82.6 | Confident | 91.1 | Very high | 189 Ų | 189 | 44.9 Ų | 44.9 | 82% | 0.822 | 23% | 0.228 | S | C | * | . | trans | -111.8 | 119.2 | 179.7 | -73.4 | -179.8 | -176.5 | 171.8 | 0 | 109.6 | ||||
| 57 | R | 88.1 | Confident | 91.4 | Very high | 78 Ų | 78 | 44.6 Ų | 44.6 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | trans | -101 | 158.1 | 177.4 | -56.6 | -59.8 | -177.5 | 137 | -9.8 | 111.5 | V50 D55 Y59 | V50-R57 HydrophobicContact CG1-CG 4.38Å; V50-R57 HydrophobicContact CG2-CG 3.82Å; D55-R57 IonicContact OD1-NE 3.79Å; D55-R57 PolarHBondContact OD1-NE 2.88Å; D55-R57 IonicContact OD2-CZ 3.41Å; D55-R57 IonicContact OD2-NE 2.69Å; D55-R57 PolarHBondContact OD2-NE 3Å; D55-R57 IonicContact OD2-NH2 3.79Å; D55-R57 PolarHBondContact OD2-NH2 3.25Å; R57-Y59 HydrophobicContact CB-CD1 4.35Å; R57-Y59 HydrophobicContact CB-CD2 4.17Å; R57-Y59 HydrophobicContact CB-CE1 4.15Å; R57-Y59 HydrophobicContact CB-CE2 3.95Å; R57-Y59 HydrophobicContact CB-CG 4.37Å; R57-Y59 HydrophobicContact CG-CE2 4.15Å; R57-Y59 PolarHBondContact O-N 2.94Å | ||
| 58 | N | 89.1 | Confident | 91.5 | Very high | 134 Ų | 134 | 44.5 Ų | 44.5 | 72% | 0.717 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -74.4 | 1.9 | 175.1 | -66.4 | -17.4 | 0 | 0 | 0 | 113.7 | E651 | N58-E651 PolarHBondContact ND2-OE1 3.48Š|
| 59 | Y | 93.6 | Very high | 91.7 | Very high | 57 Ų | 57 | 43.1 Ų | 43.1 | 22% | 0.224 | 22% | 0.22 | C | C | . | . | trans | -132.6 | 148.9 | 177.4 | 51.2 | -99.5 | 0 | 0 | 0 | 110.2 | Q22 V24 R57 A62 F99 | Q22-Y59 HydrophobicContact CB-CD1 3.92Å; Q22-Y59 HydrophobicContact CB-CD2 4.23Å; Q22-Y59 HydrophobicContact CB-CE1 4.43Å; Q22-Y59 HydrophobicContact CB-CG 3.8Å; Q22-Y59 HydrophobicContact CG-CD1 3.76Å; Q22-Y59 HydrophobicContact CG-CE1 3.97Å; Q22-Y59 HydrophobicContact CG-CG 4.19Å; V24-Y59 HydrophobicContact CG2-CE2 4.43Å; R57-Y59 HydrophobicContact CB-CD1 4.35Å; R57-Y59 HydrophobicContact CB-CD2 4.17Å; R57-Y59 HydrophobicContact CB-CE1 4.15Å; R57-Y59 HydrophobicContact CB-CE2 3.95Å; R57-Y59 HydrophobicContact CB-CG 4.37Å; R57-Y59 HydrophobicContact CG-CE2 4.15Å; R57-Y59 PolarHBondContact O-N 2.94Å; Y59-A62 HydrophobicContact CD2-CB 4.19Å; Y59-A62 HydrophobicContact CE2-CB 3.87Å; Y59-F99 HydrophobicContact CD2-CE2 4.12Å; Y59-F99 AromaticContact CE2-CE2 3.95Å; Y59-F99 HydrophobicContact CE2-CE2 3.95Å | ||
| 60 | S | 95.2 | Very high | 91.9 | Very high | 47 Ų | 47 | 42.1 Ų | 42.1 | 33% | 0.329 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -102.3 | -5.8 | 175.5 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | F99 D101 | S60-F99 WeakPolarHBondContact O-CD2 3.32Å; S60-F99 PolarHBondContact O-N 3.49Å; S60-D101 WeakPolarHBondContact CB-OD1 3.28Å; S60-D101 PolarHBondContact OG-OD1 2.94Å |
| 61 | R | 97.6 | Very high | 91.4 | Very high | 67 Ų | 67 | 41.4 Ų | 41.4 | 25% | 0.253 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 133.7 | -177.9 | -62.8 | -179.4 | -173.4 | -168.9 | -1.4 | 110 | K19 H21 Q22 F97 D101 Y102 | K19-R61 PolarHBondContact O-NH1 3.44Å; H21-R61 HydrophobicContact CB-CB 4.27Å; Q22-R61 PolarHBondContact N-O 2.91Å; R61-F97 WeakPolarHBondContact CA-O 3.49Å; R61-D101 HydrophobicContact CG-CB 4.21Å; R61-D101 IonicContact CZ-OD2 3.66Å; R61-D101 IonicContact NE-OD2 2.75Å; R61-D101 PolarHBondContact NE-OD2 2.93Å; R61-D101 IonicContact NH2-OD2 2.66Å; R61-D101 PolarHBondContact NH2-OD2 3.47Å; R61-Y102 HydrophobicContact CG-CD1 4.39Å; R61-Y102 HydrophobicContact CG-CE1 4.18Å |
| 62 | A | 98 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 151.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H21 Q22 V24 F47 Y59 N96 F97 F99 | H21-A62 PolarHBondContact CD2-O 3.1Å; Q22-A62 CarbonylContact O-C 3.44Å; Q22-A62 VanDerWaalsContact O-CA 3.29Å; Q22-A62 WeakPolarHBondContact O-CA 3.35Å; V24-A62 HydrophobicContact CG2-CB 4.05Å; F47-A62 HydrophobicContact CE1-CB 4.2Å; F47-A62 HydrophobicContact CZ-CB 3.99Å; Y59-A62 HydrophobicContact CD2-CB 4.19Å; Y59-A62 HydrophobicContact CE2-CB 3.87Å; A62-N96 CarbonylContact O-C 3.41Å; A62-N96 WeakPolarHBondContact O-CA 3.34Å; A62-F97 HydrophobicContact CB-CB 4.43Å; A62-F97 HydrophobicContact CB-CD2 4.11Å; A62-F97 PolarHBondContact N-O 3.27Å; A62-F97 WeakPolarHBondContact O-CD2 3.39Å; A62-F97 PolarHBondContact O-N 3.07Å; A62-F99 HydrophobicContact CB-CE2 3.9Å; A62-F99 HydrophobicContact CB-CZ 4.19Å |
| 63 | T | 98.5 | Very high | 89 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 141.7 | 172.7 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | F12 L13 F16 H21 Q22 V23 V24 G95 | F12-T63 VanDerWaalsContact CE1-OG1 3.27Å; F12-T63 WeakPolarHBondContact CE1-OG1 3.46Å; L13-T63 HydrophobicContact CD2-CG2 4.2Å; F16-T63 HydrophobicContact CB-CG2 3.83Å; H21-T63 HydrophobicContact CB-CG2 3.92Å; Q22-T63 PolarHBondContact O-N 3.08Å; V23-T63 HydrophobicContact CB-CG2 4.36Å; V23-T63 HydrophobicContact CG2-CG2 3.83Å; V24-T63 PolarHBondContact N-O 2.86Å; T63-G95 CarbonylContact C-O 3.59Å; T63-G95 VanDerWaalsContact CA-O 3.27Å; T63-G95 WeakPolarHBondContact CA-O 3.28Å; T63-G95 PolarHBondContact OG1-O 2.86Å |
| 64 | T | 97.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 152 | -174.1 | 64.9 | 0 | 0 | 0 | 0 | 112.4 | V24 F47 L94 G95 F97 | V24-T64 HydrophobicContact CB-CG2 3.83Å; V24-T64 HydrophobicContact CG1-CG2 4.32Å; F47-T64 HydrophobicContact CE2-CG2 3.86Å; F47-T64 HydrophobicContact CZ-CG2 3.81Å; T64-L94 WeakPolarHBondContact O-CA 3.04Å; T64-G95 PolarHBondContact N-O 3.16Å; T64-G95 PolarHBondContact O-N 3.15Å; T64-F97 HydrophobicContact CG2-CE2 3.88Å; T64-F97 WeakPolarHBondContact OG1-CE2 3.48Å |
| 65 | S | 96.9 | Very high | 87.1 | Confident | 14 Ų | 14 | 47.9 Ų | 47.9 | 10% | 0.098 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 94.4 | 153.8 | -165.2 | 0 | 0 | 0 | 0 | 107.7 | S26 E92 | S26-S65 WeakPolarHBondContact CB-O 3.29Å; S65-E92 PolarHBondContact OG-OE2 2.9Å |
| 66 | Q | 96.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 125.7 | -174.7 | 177.8 | 60.5 | 56.1 | 0 | 0 | 110.4 | S26 S27 T40 E92 M93 | S26-Q66 PolarHBondContact OG-NE2 3.18Å; S26-Q66 VanDerWaalsContact OG-NE2 3.07Å; S27-Q66 PolarHBondContact O-NE2 2.91Å; S27-Q66 VanDerWaalsContact OG-CD 3.26Å; S27-Q66 PolarHBondContact OG-NE2 2.78Å; S27-Q66 PolarHBondContact OG-OE1 2.89Å; T40-Q66 HydrophobicContact CG2-CG 4.01Å; Q66-E92 CarbonylContact O-C 3.56Å; Q66-E92 WeakPolarHBondContact O-CA 3.43Å; Q66-M93 PolarHBondContact N-O 3.16Å; Q66-M93 PolarHBondContact O-N 2.72Å |
| 67 | R | 96 | Very high | 87 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 6% | 0.057 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 131.5 | 168.9 | -60.5 | 171.9 | -64.2 | 157.9 | 12.4 | 109.2 | S26 S27 L29 F90 D297 | S26-R67 PolarHBondContact OG-N 2.84Å; S26-R67 PolarHBondContact OG-NE 3.32Å; S27-R67 PolarHBondContact O-NH2 3.5Å; L29-R67 HydrophobicContact CD2-CB 3.87Å; L29-R67 WeakPolarHBondContact CD2-O 3.41Å; L29-R67 HydrophobicContact CG-CB 4.48Å; R67-F90 HydrophobicContact CB-CE2 3.8Å; R67-F90 HydrophobicContact CB-CZ 3.93Å; R67-F90 HydrophobicContact CG-CE2 4.15Å; R67-F90 HydrophobicContact CG-CZ 3.83Å; R67-D297 IonicContact CZ-OD1 2.71Å; R67-D297 IonicContact CZ-OD2 3.55Å; R67-D297 IonicContact NH1-OD1 2.85Å; R67-D297 PolarHBondContact NH1-OD1 3Å; R67-D297 IonicContact NH1-OD2 3.28Å; R67-D297 IonicContact NH2-OD1 3.27Å; R67-D297 PolarHBondContact NH2-OD1 3.34Å; R67-D297 IonicContact NH2-OD2 3.78Å; R67-D297 PolarHBondContact NH2-OD2 3.31Å |
| 68 | C | 95.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 149.8 | -178.9 | -67 | 0 | 0 | 0 | 0 | 111.2 | T40 N41 F90 F91 | T40-C68 CarbonylContact O-C 3.54Å; T40-C68 VanDerWaalsContact O-CA 3.29Å; T40-C68 WeakPolarHBondContact O-CA 3.47Å; N41-C68 VanDerWaalsContact C-SG 3.58Å; C68-F90 WeakPolarHBondContact O-CA 3.24Å; C68-F91 HydrophobicContact CB-CD1 4.36Å; C68-F91 HydrophobicContact CB-CD2 4.2Å; C68-F91 HydrophobicContact CB-CE1 3.87Å; C68-F91 HydrophobicContact CB-CE2 3.71Å; C68-F91 HydrophobicContact CB-CG 4.49Å; C68-F91 HydrophobicContact CB-CZ 3.5Å; C68-F91 PolarHBondContact N-O 3.07Å; C68-F91 PolarHBondContact O-N 3.39Å |
| 69 | V | 94.3 | Very high | 86.5 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.024 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 131.4 | 170.4 | 166.6 | 0 | 0 | 0 | 0 | 110.8 | L29 F39 T40 A71 T89 F90 L294 | L29-V69 HydrophobicContact CD1-CG2 3.82Å; L29-V69 HydrophobicContact CD2-CB 4.44Å; L29-V69 HydrophobicContact CD2-CG2 3.82Å; L29-V69 HydrophobicContact CG-CG2 4.36Å; F39-V69 HydrophobicContact CB-CB 3.97Å; F39-V69 HydrophobicContact CB-CG1 4.17Å; F39-V69 HydrophobicContact CD2-CG1 3.79Å; F39-V69 HydrophobicContact CE2-CG1 4.37Å; F39-V69 HydrophobicContact CG-CB 4.2Å; F39-V69 HydrophobicContact CG-CG1 3.97Å; T40-V69 PolarHBondContact O-N 3.44Å; V69-A71 HydrophobicContact CG1-CB 4.15Å; V69-T89 CarbonylContact C-O 3.54Å; V69-T89 VanDerWaalsContact CA-O 3.22Å; V69-T89 WeakPolarHBondContact CA-O 3.44Å; V69-T89 HydrophobicContact CG1-CG2 4.49Å; V69-F90 HydrophobicContact CG2-CD2 4.16Å; V69-L294 HydrophobicContact CG2-CG 4.47Å |
| 70 | R | 90.8 | Very high | 86.2 | Confident | 59 Ų | 59 | 33.8 Ų | 33.8 | 22% | 0.223 | 19% | 0.187 | C | C | . | . | trans | -118.8 | 66.5 | 173.7 | -78.1 | 179.6 | -174.7 | -175.1 | 2.5 | 111 | H75 D77 T89 F91 | R70-H75 CarbonylContact C-O 3.47Å; R70-H75 HydrophobicContact CG-CB 4.25Å; R70-D77 HydrophobicContact CB-CB 4.13Å; R70-D77 WeakPolarHBondContact CD-OD2 3.3Å; R70-D77 IonicContact NH1-OD2 3.1Å; R70-D77 PolarHBondContact O-N 2.91Å; R70-T89 PolarHBondContact N-O 2.77Å; R70-F91 HydrophobicContact CB-CE1 4.22Å; R70-F91 HydrophobicContact CG-CE1 3.67Å; R70-F91 HydrophobicContact CG-CZ 4.13Å | ||
| 71 | A | 82 | Confident | 86 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | trans | -132.9 | 114.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | F39 V69 T89 V309 I313 | F39-A71 WeakPolarHBondContact CD2-O 3.42Å; V69-A71 HydrophobicContact CG1-CB 4.15Å; A71-T89 HydrophobicContact CB-CG2 3.78Å; A71-V309 HydrophobicContact CB-CG1 3.67Å; A71-I313 HydrophobicContact CB-CD1 3.87Å; A71-I313 HydrophobicContact CB-CG1 4.43Å | ||
| 72 | G | 66.6 | Low | 85.5 | Confident | 25 Ų | 25 | 28.4 Ų | 28.4 | 26% | 0.258 | 16% | 0.159 | S | C | . | . | S | Bend | trans | 94.6 | 156.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N76 | G72-N76 PolarHBondContact N-OD1 3.06Š|
| 73 | G | 62.8 | Low | 85 | Confident | 69 Ų | 69 | 31.8 Ų | 31.8 | 71% | 0.711 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | -157.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | H75 | G73-H75 VanDerWaalsContact C-N 3.31Å; G73-H75 PolarHBondContact O-N 3.45Å |
| 74 | K | 58.6 | Low | 84.6 | Confident | 131 Ų | 131 | 33.4 Ų | 33.4 | 57% | 0.57 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -30.4 | -178.6 | -174 | 179.1 | -178.9 | 177.2 | 0 | 113.8 | ||
| 75 | H | 66.8 | Low | 84.1 | Confident | 72 Ų | 72 | 34.1 Ų | 34.1 | 33% | 0.333 | 19% | 0.188 | S | C | . | . | trans | -110.1 | 82.9 | -179.3 | -61.8 | -68.3 | 0 | 0 | 0 | 109.8 | R70 G73 | R70-H75 CarbonylContact C-O 3.47Å; R70-H75 HydrophobicContact CG-CB 4.25Å; G73-H75 VanDerWaalsContact C-N 3.31Å; G73-H75 PolarHBondContact O-N 3.45Å | ||
| 76 | N | 78.2 | Confident | 83.8 | Confident | 54 Ų | 54 | 35.9 Ų | 35.9 | 29% | 0.289 | 19% | 0.193 | S | C | . | . | trans | -116.6 | 105.4 | -178.1 | -174.1 | 20.5 | 0 | 0 | 0 | 111.1 | G72 L78 | G72-N76 PolarHBondContact N-OD1 3.06Å; N76-L78 VanDerWaalsContact OD1-CB 3.25Å; N76-L78 WeakPolarHBondContact OD1-CB 3.34Å; N76-L78 PolarHBondContact OD1-N 3.17Å | ||
| 77 | D | 85.2 | Confident | 83.6 | Confident | 22 Ų | 22 | 37.6 Ų | 37.6 | 12% | 0.118 | 20% | 0.201 | C | C | . | . | trans | -94.1 | -4.8 | -179.1 | -74.6 | -14 | 0 | 0 | 0 | 112.3 | R70 E79 N80 V81 H87 | R70-D77 HydrophobicContact CB-CB 4.13Å; R70-D77 WeakPolarHBondContact CD-OD2 3.3Å; R70-D77 IonicContact NH1-OD2 3.1Å; R70-D77 PolarHBondContact O-N 2.91Å; D77-E79 VanDerWaalsContact C-N 3.3Å; D77-E79 PolarHBondContact O-N 3.05Å; D77-E79 VanDerWaalsContact O-N 3.11Å; D77-N80 PolarHBondContact O-N 3.34Å; D77-V81 WeakPolarHBondContact O-CG2 3.47Å; D77-V81 PolarHBondContact O-N 3.41Å; D77-H87 HydrophobicContact CB-CB 4.19Å; D77-H87 IonicContact OD1-CD2 3.13Å; D77-H87 PolarHBondContact OD1-CD2 2.69Å; D77-H87 IonicContact OD2-CD2 2.92Å | ||
| 78 | L | 85.2 | Confident | 83.5 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -50.6 | -46.5 | -165.2 | -172.3 | 65 | 0 | 0 | 0 | 112.7 | N76 N80 V81 T89 R312 I313 R316 | N76-L78 VanDerWaalsContact OD1-CB 3.25Å; N76-L78 WeakPolarHBondContact OD1-CB 3.34Å; N76-L78 PolarHBondContact OD1-N 3.17Å; L78-N80 VanDerWaalsContact C-N 3.3Å; L78-N80 PolarHBondContact O-N 3.23Å; L78-V81 WeakPolarHBondContact O-CB 3.31Å; L78-V81 PolarHBondContact O-N 3.13Å; L78-T89 HydrophobicContact CD1-CG2 4.44Å; L78-R312 HydrophobicContact CD2-CG 4.42Å; L78-I313 HydrophobicContact CD1-CG1 4.03Å; L78-R316 VanDerWaalsContact O-CZ 3.25Å; L78-R316 PolarHBondContact O-NH1 3.42Å; L78-R316 PolarHBondContact O-NH2 3.13Å |
| 79 | E | 80.7 | Confident | 83.4 | Confident | 61 Ų | 61 | 37.1 Ų | 37.1 | 29% | 0.285 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -70 | -25.3 | -176.6 | -65.8 | -179.5 | -154.6 | 0 | 0 | 114.4 | D77 Y83 R414 | D77-E79 VanDerWaalsContact C-N 3.3Å; D77-E79 PolarHBondContact O-N 3.05Å; D77-E79 VanDerWaalsContact O-N 3.11Å; E79-Y83 WeakPolarHBondContact O-CD2 3.17Å; E79-R414 IonicContact OE2-NH2 2.79Å |
| 80 | N | 87.3 | Confident | 83.5 | Confident | 67 Ų | 67 | 37 Ų | 37 | 36% | 0.358 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -86.1 | -16.4 | -178.6 | -69 | -42.1 | 0 | 0 | 0 | 112.9 | D77 L78 G82 Y83 T84 H87 | D77-N80 PolarHBondContact O-N 3.34Å; L78-N80 VanDerWaalsContact C-N 3.3Å; L78-N80 PolarHBondContact O-N 3.23Å; N80-G82 PolarHBondContact O-N 3.2Å; N80-Y83 PolarHBondContact O-N 3.5Å; N80-Y83 VanDerWaalsContact O-N 3.17Å; N80-T84 HydrophobicContact CB-CG2 3.93Å; N80-T84 PolarHBondContact O-N 3.47Å; N80-T84 PolarHBondContact O-OG1 2.79Å; N80-H87 HydrophobicContact CB-CB 3.66Å |
| 81 | V | 90.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 130.3 | 179.5 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | D77 L78 Y83 V283 D286 | D77-V81 WeakPolarHBondContact O-CG2 3.47Å; D77-V81 PolarHBondContact O-N 3.41Å; L78-V81 WeakPolarHBondContact O-CB 3.31Å; L78-V81 PolarHBondContact O-N 3.13Å; V81-Y83 VanDerWaalsContact O-CD2 3.23Å; V81-Y83 WeakPolarHBondContact O-CD2 3.35Å; V81-Y83 PolarHBondContact O-N 3.04Å; V81-V283 WeakPolarHBondContact O-CG2 3.4Å; V81-D286 HydrophobicContact CG1-CB 3.7Å; V81-D286 VanDerWaalsContact CG1-OD2 3.27Å; V81-D286 WeakPolarHBondContact CG1-OD2 3.42Å |
| 82 | G | 88 | Confident | 84.4 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -17.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | N80 Y255 | N80-G82 PolarHBondContact O-N 3.2Å; G82-Y255 PolarHBondContact N-OH 3.28Å |
| 83 | Y | 87.9 | Confident | 85.9 | Confident | 71 Ų | 71 | 34.7 Ų | 34.7 | 28% | 0.278 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -30.5 | -178.7 | -62.7 | -76.2 | 0 | 0 | 0 | 113.6 | E79 N80 V81 K279 | E79-Y83 WeakPolarHBondContact O-CD2 3.17Å; N80-Y83 PolarHBondContact O-N 3.5Å; N80-Y83 VanDerWaalsContact O-N 3.17Å; V81-Y83 VanDerWaalsContact O-CD2 3.23Å; V81-Y83 WeakPolarHBondContact O-CD2 3.35Å; V81-Y83 PolarHBondContact O-N 3.04Å; Y83-K279 HydrophobicContact CD1-CD 3.58Å; Y83-K279 HydrophobicContact CE1-CD 3.93Å |
| 84 | T | 89.1 | Confident | 87.5 | Confident | 35 Ų | 35 | 31.4 Ų | 31.4 | 22% | 0.215 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -102.8 | 166.4 | 174.6 | 64 | 0 | 0 | 0 | 0 | 110.9 | N80 R86 H87 Y255 | N80-T84 HydrophobicContact CB-CG2 3.93Å; N80-T84 PolarHBondContact O-N 3.47Å; N80-T84 PolarHBondContact O-OG1 2.79Å; T84-R86 VanDerWaalsContact C-N 3.3Å; T84-R86 PolarHBondContact O-N 3.3Å; T84-H87 WeakPolarHBondContact CB-ND1 3.35Å; T84-H87 WeakPolarHBondContact OG1-CB 3.23Å; T84-H87 PolarHBondContact OG1-N 2.97Å; T84-H87 PolarHBondContact OG1-ND1 2.89Å; T84-Y255 VanDerWaalsContact O-CE2 3.29Å; T84-Y255 WeakPolarHBondContact O-CE2 3.24Å |
| 85 | A | 88.2 | Confident | 89.4 | Confident | 14 Ų | 14 | 25.2 Ų | 25.2 | 12% | 0.116 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -76.1 | -16.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S253 N254 | A85-S253 PolarHBondContact O-OG 2.96Å; A85-N254 WeakPolarHBondContact O-CB 3.36Å; A85-N254 PolarHBondContact O-N 3Å |
| 86 | R | 89.8 | Confident | 90.9 | Very high | 52 Ų | 52 | 21.9 Ų | 21.9 | 20% | 0.196 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -132.9 | -18.1 | -157.6 | 65.5 | -168.3 | -178.2 | -109.1 | 9.9 | 117.4 | T84 D204 D206 N254 | T84-R86 VanDerWaalsContact C-N 3.3Å; T84-R86 PolarHBondContact O-N 3.3Å; R86-D204 PolarHBondContact NH1-O 3.13Å; R86-D204 PolarHBondContact NH2-O 3Å; R86-D206 IonicContact CZ-OD1 3.99Å; R86-D206 IonicContact NH1-OD1 3.7Å; R86-D206 PolarHBondContact NH1-OD1 3.35Å; R86-N254 WeakPolarHBondContact CA-ND2 3.13Å; R86-N254 PolarHBondContact O-ND2 3.5Å |
| 87 | H | 91.2 | Very high | 91.9 | Very high | 35 Ų | 35 | 19.3 Ų | 19.3 | 16% | 0.162 | 9% | 0.093 | C | C | . | . | trans | -86.2 | 139.5 | -176.3 | -64.4 | 95.1 | 0 | 0 | 0 | 112.3 | D77 N80 T84 Y255 | D77-H87 HydrophobicContact CB-CB 4.19Å; D77-H87 IonicContact OD1-CD2 3.13Å; D77-H87 PolarHBondContact OD1-CD2 2.69Å; D77-H87 IonicContact OD2-CD2 2.92Å; N80-H87 HydrophobicContact CB-CB 3.66Å; T84-H87 WeakPolarHBondContact CB-ND1 3.35Å; T84-H87 WeakPolarHBondContact OG1-CB 3.23Å; T84-H87 PolarHBondContact OG1-N 2.97Å; T84-H87 PolarHBondContact OG1-ND1 2.89Å; H87-Y255 PolarHBondContact O-OH 2.91Å | ||
| 88 | H | 94 | Very high | 92.5 | Very high | 6 Ų | 6 | 18.2 Ų | 18.2 | 3% | 0.028 | 9% | 0.087 | C | C | . | . | trans | -138.8 | 146.6 | -175.5 | -61.9 | -50.7 | 0 | 0 | 0 | 110.5 | F90 F91 N254 Y255 F260 D286 | H88-F90 VanDerWaalsContact C-N 3.33Å; H88-F90 WeakPolarHBondContact CB-O 3.27Å; H88-F91 HydrophobicContact CB-CB 4.3Å; H88-F91 HydrophobicContact CB-CD1 4.43Å; H88-N254 VanDerWaalsContact CE1-CB 3.47Å; H88-N254 WeakPolarHBondContact CE1-CB 3.29Å; H88-N254 VanDerWaalsContact NE2-CB 3.26Å; H88-N254 WeakPolarHBondContact NE2-CB 3.38Å; H88-N254 PolarHBondContact NE2-ND2 2.72Å; H88-Y255 AromaticContact CE1-CE1 3.91Å; H88-Y255 AromaticContact ND1-CE1 3.89Å; H88-Y255 AromaticContact ND1-CZ 3.92Å; H88-F260 AromaticContact CE1-CE2 3.5Å; H88-F260 AromaticContact CE1-CZ 3.6Å; H88-F260 AromaticContact ND1-CZ 3.7Å; H88-F260 AromaticContact NE2-CE2 3.97Å; H88-D286 WeakPolarHBondContact CA-OD1 3.38Å; H88-D286 VanDerWaalsContact CB-OD1 3.31Å; H88-D286 WeakPolarHBondContact CB-OD1 3.39Å; H88-D286 IonicContact CG-OD1 2.93Å; H88-D286 IonicContact ND1-OD1 2.8Å | ||
| 89 | T | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -72.6 | -36.8 | 166.9 | -47.5 | 0 | 0 | 0 | 0 | 109.9 | V69 R70 A71 L78 D286 H287 S290 I313 | V69-T89 CarbonylContact C-O 3.54Å; V69-T89 VanDerWaalsContact CA-O 3.22Å; V69-T89 WeakPolarHBondContact CA-O 3.44Å; V69-T89 HydrophobicContact CG1-CG2 4.49Å; R70-T89 PolarHBondContact N-O 2.77Å; A71-T89 HydrophobicContact CB-CG2 3.78Å; L78-T89 HydrophobicContact CD1-CG2 4.44Å; T89-D286 WeakPolarHBondContact CB-OD2 3.4Å; T89-D286 VanDerWaalsContact N-CG 3.31Å; T89-D286 PolarHBondContact N-OD1 2.97Å; T89-D286 PolarHBondContact N-OD2 3.29Å; T89-D286 PolarHBondContact OG1-OD2 3.1Å; T89-H287 PolarHBondContact OG1-CE1 2.63Å; T89-H287 PolarHBondContact OG1-ND1 2.85Å; T89-H287 VanDerWaalsContact OG1-ND1 3.12Å; T89-S290 WeakPolarHBondContact CG2-OG 3.33Å; T89-I313 HydrophobicContact CG2-CD1 3.68Å; T89-I313 HydrophobicContact CG2-CG1 4.18Å; T89-I313 HydrophobicContact CG2-CG2 4.42Å |
| 90 | F | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 134 | -179.3 | 174.1 | -79.6 | 0 | 0 | 0 | 110.7 | L29 R67 C68 V69 H88 D286 R289 F293 M342 | L29-F90 HydrophobicContact CD1-CD2 4.3Å; L29-F90 HydrophobicContact CD1-CE2 4.2Å; L29-F90 HydrophobicContact CD2-CE2 4.45Å; R67-F90 HydrophobicContact CB-CE2 3.8Å; R67-F90 HydrophobicContact CB-CZ 3.93Å; R67-F90 HydrophobicContact CG-CE2 4.15Å; R67-F90 HydrophobicContact CG-CZ 3.83Å; C68-F90 WeakPolarHBondContact O-CA 3.24Å; V69-F90 HydrophobicContact CG2-CD2 4.16Å; H88-F90 VanDerWaalsContact C-N 3.33Å; H88-F90 WeakPolarHBondContact CB-O 3.27Å; F90-D286 PolarHBondContact N-OD1 3.5Å; F90-R289 HydrophobicContact CB-CB 4.08Å; F90-R289 HydrophobicContact CD1-CB 3.56Å; F90-R289 HydrophobicContact CE1-CB 4.19Å; F90-R289 HydrophobicContact CG-CB 3.9Å; F90-R289 PolarHBondContact O-NH1 3.43Å; F90-R289 VanDerWaalsContact O-NH1 3.08Å; F90-F293 HydrophobicContact CD2-CB 4.47Å; F90-F293 HydrophobicContact CD2-CD2 4.34Å; F90-F293 HydrophobicContact CE1-CD2 4.1Å; F90-F293 HydrophobicContact CE1-CE2 4.23Å; F90-F293 HydrophobicContact CE2-CB 3.85Å; F90-F293 AromaticContact CE2-CD2 3.48Å; F90-F293 HydrophobicContact CE2-CD2 3.48Å; F90-F293 VanDerWaalsContact CE2-CD2 3.48Å; F90-F293 HydrophobicContact CE2-CE2 4.28Å; F90-F293 AromaticContact CE2-CG 3.88Å; F90-F293 HydrophobicContact CE2-CG 3.88Å; F90-F293 AromaticContact CZ-CD2 3.34Å; F90-F293 HydrophobicContact CZ-CD2 3.34Å; F90-F293 AromaticContact CZ-CE2 3.67Å; F90-F293 HydrophobicContact CZ-CE2 3.67Å; F90-F293 HydrophobicContact CZ-CG 4.09Å; F90-M342 HydrophobicContact CE1-CE 4.44Å |
| 91 | F | 96.1 | Very high | 94 | Very high | 15 Ų | 15 | 17.9 Ų | 17.9 | 7% | 0.066 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 165.8 | 176 | 61 | -82.1 | 0 | 0 | 0 | 110.6 | C68 R70 H88 M93 E242 | C68-F91 HydrophobicContact CB-CD1 4.36Å; C68-F91 HydrophobicContact CB-CD2 4.2Å; C68-F91 HydrophobicContact CB-CE1 3.87Å; C68-F91 HydrophobicContact CB-CE2 3.71Å; C68-F91 HydrophobicContact CB-CG 4.49Å; C68-F91 HydrophobicContact CB-CZ 3.5Å; C68-F91 PolarHBondContact N-O 3.07Å; C68-F91 PolarHBondContact O-N 3.39Å; R70-F91 HydrophobicContact CB-CE1 4.22Å; R70-F91 HydrophobicContact CG-CE1 3.67Å; R70-F91 HydrophobicContact CG-CZ 4.13Å; H88-F91 HydrophobicContact CB-CB 4.3Å; H88-F91 HydrophobicContact CB-CD1 4.43Å; F91-M93 HydrophobicContact CE2-CB 4.3Å; F91-M93 HydrophobicContact CE2-CE 3.67Å; F91-M93 HydrophobicContact CZ-CE 4.17Å; F91-E242 VanDerWaalsContact CA-OE1 3.3Å; F91-E242 WeakPolarHBondContact CA-OE1 3.37Å; F91-E242 WeakPolarHBondContact CB-OE2 3.37Å |
| 92 | E | 96.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 1% | 0.014 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 126.1 | 172.3 | -73.2 | 178.2 | -107 | 0 | 0 | 110.4 | R9 S65 Q66 L241 E242 M342 | R9-E92 IonicContact CZ-OE1 2.83Å; R9-E92 IonicContact CZ-OE2 2.64Å; R9-E92 IonicContact NE-OE1 2.64Å; R9-E92 IonicContact NE-OE2 2.74Å; R9-E92 PolarHBondContact NE-OE2 2.99Å; R9-E92 IonicContact NH2-OE1 2.81Å; R9-E92 PolarHBondContact NH2-OE1 3Å; R9-E92 IonicContact NH2-OE2 3.9Å; S65-E92 PolarHBondContact OG-OE2 2.9Å; Q66-E92 CarbonylContact O-C 3.56Å; Q66-E92 WeakPolarHBondContact O-CA 3.43Å; E92-L241 HydrophobicContact CB-CB 3.88Å; E92-L241 HydrophobicContact CB-CD2 3.78Å; E92-L241 HydrophobicContact CB-CG 4.49Å; E92-L241 HydrophobicContact CG-CD2 4.33Å; E92-L241 WeakPolarHBondContact O-CB 3.24Å; E92-L241 PolarHBondContact O-N 3.39Å; E92-E242 PolarHBondContact N-OE1 2.74Å; E92-E242 PolarHBondContact N-OE2 3.24Å; E92-M342 WeakPolarHBondContact OE1-CE 3.46Å |
| 93 | M | 96.6 | Very high | 94.7 | Very high | 21 Ų | 21 | 20.2 Ų | 20.2 | 10% | 0.103 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 110.8 | 173.7 | -170.8 | 169.4 | -67 | 0 | 0 | 109.4 | A42 G43 Q66 F91 | A42-M93 HydrophobicContact CB-CE 4.48Å; A42-M93 HydrophobicContact CB-SD 4.07Å; G43-M93 PolarHBondContact N-SD 3.49Å; Q66-M93 PolarHBondContact N-O 3.16Å; Q66-M93 PolarHBondContact O-N 2.72Å; F91-M93 HydrophobicContact CE2-CB 4.3Å; F91-M93 HydrophobicContact CE2-CE 3.67Å; F91-M93 HydrophobicContact CZ-CE 4.17Å |
| 94 | L | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 123.2 | 168.9 | -59.4 | 175.4 | 0 | 0 | 0 | 108 | R9 F12 T64 M239 L241 I244 | R9-L94 HydrophobicContact CG-CD2 4.07Å; F12-L94 HydrophobicContact CB-CD1 4Å; F12-L94 HydrophobicContact CB-CD2 4.36Å; F12-L94 HydrophobicContact CD1-CB 3.87Å; F12-L94 HydrophobicContact CD1-CD1 4.5Å; F12-L94 HydrophobicContact CD1-CD2 4Å; F12-L94 HydrophobicContact CD1-CG 4.34Å; F12-L94 HydrophobicContact CD2-CB 3.97Å; F12-L94 HydrophobicContact CD2-CD1 4.05Å; F12-L94 HydrophobicContact CE1-CB 3.76Å; F12-L94 HydrophobicContact CE2-CB 3.84Å; F12-L94 HydrophobicContact CG-CB 3.98Å; F12-L94 HydrophobicContact CG-CD1 3.94Å; F12-L94 HydrophobicContact CG-CD2 4.2Å; F12-L94 HydrophobicContact CG-CG 4.27Å; F12-L94 HydrophobicContact CZ-CB 3.75Å; T64-L94 WeakPolarHBondContact O-CA 3.04Å; L94-M239 HydrophobicContact CB-CB 4.21Å; L94-M239 HydrophobicContact CB-CE 4.28Å; L94-M239 WeakPolarHBondContact CB-O 3.24Å; L94-M239 HydrophobicContact CD1-CE 3.6Å; L94-M239 HydrophobicContact CD1-CG 4.33Å; L94-M239 PolarHBondContact N-O 3.48Å; L94-M239 PolarHBondContact O-N 3.07Å; L94-L241 HydrophobicContact CD1-CB 4.31Å; L94-L241 HydrophobicContact CD1-CD1 3.87Å; L94-L241 HydrophobicContact CD2-CD1 4.44Å; L94-L241 HydrophobicContact CG-CB 4.17Å; L94-L241 HydrophobicContact CG-CD1 4.37Å; L94-I244 HydrophobicContact CD1-CG2 4.27Å |
| 95 | G | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 143.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T63 T64 T237 | T63-G95 CarbonylContact C-O 3.59Å; T63-G95 VanDerWaalsContact CA-O 3.27Å; T63-G95 WeakPolarHBondContact CA-O 3.28Å; T63-G95 PolarHBondContact OG1-O 2.86Å; T64-G95 PolarHBondContact N-O 3.16Å; T64-G95 PolarHBondContact O-N 3.15Å; G95-T237 WeakPolarHBondContact CA-O 3.32Å |
| 96 | N | 98.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.011 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 135.8 | 168.6 | 64.4 | -82.2 | 0 | 0 | 0 | 109.6 | F16 A62 Y102 W212 T237 | F16-N96 HydrophobicContact CD1-CB 3.54Å; F16-N96 HydrophobicContact CD2-CB 3.97Å; F16-N96 HydrophobicContact CE1-CB 3.42Å; F16-N96 VanDerWaalsContact CE1-CB 3.42Å; F16-N96 HydrophobicContact CE2-CB 3.87Å; F16-N96 HydrophobicContact CG-CB 3.82Å; F16-N96 HydrophobicContact CZ-CB 3.6Å; F16-N96 WeakPolarHBondContact CZ-OD1 3.44Å; A62-N96 CarbonylContact O-C 3.41Å; A62-N96 WeakPolarHBondContact O-CA 3.34Å; N96-Y102 PolarHBondContact ND2-OH 3.06Å; N96-W212 WeakPolarHBondContact OD1-CZ2 3.43Å; N96-T237 PolarHBondContact N-OG1 3.1Å; N96-T237 PolarHBondContact O-N 3.37Å; N96-T237 WeakPolarHBondContact OD1-CB 3.3Å; N96-T237 WeakPolarHBondContact OD1-CG2 3.45Å; N96-T237 PolarHBondContact OD1-OG1 3.44Å |
| 97 | F | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 139.8 | -171.1 | -44.4 | -84.5 | 0 | 0 | 0 | 110.1 | H21 M44 F47 F51 R61 A62 T64 F99 V235 D236 | H21-F97 PolarHBondContact CD2-O 3.05Å; M44-F97 HydrophobicContact CB-CD1 4.47Å; M44-F97 HydrophobicContact CB-CE1 3.96Å; F47-F97 HydrophobicContact CD2-CD1 4.02Å; F47-F97 AromaticContact CD2-CD2 3.84Å; F47-F97 HydrophobicContact CD2-CD2 3.84Å; F47-F97 HydrophobicContact CD2-CE1 4.05Å; F47-F97 AromaticContact CD2-CE2 3.94Å; F47-F97 HydrophobicContact CD2-CE2 3.94Å; F47-F97 AromaticContact CD2-CG 3.91Å; F47-F97 HydrophobicContact CD2-CG 3.91Å; F47-F97 HydrophobicContact CD2-CZ 4.02Å; F47-F97 HydrophobicContact CE2-CD1 4.39Å; F47-F97 AromaticContact CE2-CD2 3.43Å; F47-F97 HydrophobicContact CE2-CD2 3.43Å; F47-F97 VanDerWaalsContact CE2-CD2 3.43Å; F47-F97 HydrophobicContact CE2-CE1 4.28Å; F47-F97 AromaticContact CE2-CE2 3.35Å; F47-F97 HydrophobicContact CE2-CE2 3.35Å; F47-F97 AromaticContact CE2-CG 3.99Å; F47-F97 HydrophobicContact CE2-CG 3.99Å; F47-F97 AromaticContact CE2-CZ 3.79Å; F47-F97 HydrophobicContact CE2-CZ 3.79Å; F47-F97 HydrophobicContact CZ-CD2 4.16Å; F47-F97 HydrophobicContact CZ-CE2 4.28Å; F51-F97 HydrophobicContact CZ-CB 4.35Å; F51-F97 HydrophobicContact CZ-CD1 4.03Å; R61-F97 WeakPolarHBondContact CA-O 3.49Å; A62-F97 HydrophobicContact CB-CB 4.43Å; A62-F97 HydrophobicContact CB-CD2 4.11Å; A62-F97 PolarHBondContact N-O 3.27Å; A62-F97 WeakPolarHBondContact O-CD2 3.39Å; A62-F97 PolarHBondContact O-N 3.07Å; T64-F97 HydrophobicContact CG2-CE2 3.88Å; T64-F97 WeakPolarHBondContact OG1-CE2 3.48Å; F97-F99 HydrophobicContact CB-CE1 3.92Å; F97-F99 HydrophobicContact CB-CE2 4.36Å; F97-F99 HydrophobicContact CB-CZ 3.67Å; F97-F99 HydrophobicContact CG-CZ 4.46Å; F97-V235 CarbonylContact C-O 3.54Å; F97-V235 VanDerWaalsContact CA-O 3.25Å; F97-V235 WeakPolarHBondContact CA-O 2.76Å; F97-D236 HydrophobicContact CD1-CB 4.34Å; F97-D236 WeakPolarHBondContact CD1-OD1 3.39Å; F97-D236 WeakPolarHBondContact CE1-OD1 3.24Å |
| 98 | S | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 119.3 | 173 | 173.1 | 0 | 0 | 0 | 0 | 108.5 | G100 D101 Y102 S234 V235 | S98-G100 PolarHBondContact O-N 3.23Å; S98-D101 PolarHBondContact OG-N 2.84Å; S98-Y102 WeakPolarHBondContact CB-O 3.37Å; S98-Y102 PolarHBondContact OG-N 3.34Å; S98-Y102 PolarHBondContact OG-O 2.92Å; S98-S234 VanDerWaalsContact O-CA 3.25Å; S98-S234 WeakPolarHBondContact O-CA 3.25Å; S98-S234 WeakPolarHBondContact O-CB 3.44Å; S98-S234 PolarHBondContact O-OG 2.92Å; S98-V235 PolarHBondContact N-O 2.94Å; S98-V235 PolarHBondContact O-N 3.4Å |
| 99 | F | 95.9 | Very high | 97 | Very high | 19 Ų | 19 | 20.4 Ų | 20.4 | 8% | 0.083 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -97.2 | 64 | 179.9 | -50.4 | -61.5 | 0 | 0 | 0 | 110.3 | F47 V50 F51 Y59 S60 A62 F97 | F47-F99 HydrophobicContact CB-CE1 3.77Å; F47-F99 HydrophobicContact CB-CZ 3.95Å; F47-F99 HydrophobicContact CD1-CE1 4.32Å; F47-F99 HydrophobicContact CD1-CE2 4.48Å; F47-F99 AromaticContact CD1-CZ 3.63Å; F47-F99 HydrophobicContact CD1-CZ 3.63Å; F47-F99 HydrophobicContact CD2-CZ 4.34Å; F47-F99 HydrophobicContact CE1-CZ 4.19Å; F47-F99 HydrophobicContact CG-CE1 4.07Å; F47-F99 AromaticContact CG-CZ 3.72Å; F47-F99 HydrophobicContact CG-CZ 3.72Å; V50-F99 HydrophobicContact CB-CD1 4.12Å; V50-F99 HydrophobicContact CB-CE1 4.13Å; V50-F99 HydrophobicContact CG1-CB 4.07Å; V50-F99 HydrophobicContact CG1-CD1 3.54Å; V50-F99 HydrophobicContact CG1-CD2 3.93Å; V50-F99 HydrophobicContact CG1-CE1 3.92Å; V50-F99 HydrophobicContact CG1-CE2 4.28Å; V50-F99 HydrophobicContact CG1-CG 3.55Å; V50-F99 HydrophobicContact CG1-CZ 4.27Å; F51-F99 AromaticContact CD1-CD1 3.83Å; F51-F99 HydrophobicContact CD1-CD1 3.83Å; F51-F99 HydrophobicContact CD1-CE1 4.12Å; F51-F99 AromaticContact CE1-CD1 3.62Å; F51-F99 HydrophobicContact CE1-CD1 3.62Å; F51-F99 AromaticContact CE1-CE1 3.64Å; F51-F99 HydrophobicContact CE1-CE1 3.64Å; F51-F99 HydrophobicContact CE2-CE1 4.11Å; F51-F99 HydrophobicContact CG-CD1 4.5Å; F51-F99 HydrophobicContact CZ-CD1 4.14Å; F51-F99 AromaticContact CZ-CE1 3.65Å; F51-F99 HydrophobicContact CZ-CE1 3.65Å; Y59-F99 HydrophobicContact CD2-CE2 4.12Å; Y59-F99 AromaticContact CE2-CE2 3.95Å; Y59-F99 HydrophobicContact CE2-CE2 3.95Å; S60-F99 WeakPolarHBondContact O-CD2 3.32Å; S60-F99 PolarHBondContact O-N 3.49Å; A62-F99 HydrophobicContact CB-CE2 3.9Å; A62-F99 HydrophobicContact CB-CZ 4.19Å; F97-F99 HydrophobicContact CB-CE1 3.92Å; F97-F99 HydrophobicContact CB-CE2 4.36Å; F97-F99 HydrophobicContact CB-CZ 3.67Å; F97-F99 HydrophobicContact CG-CZ 4.46Å |
| 100 | G | 93.8 | Very high | 97.3 | Very high | 32 Ų | 32 | 21.5 Ų | 21.5 | 33% | 0.33 | 11% | 0.112 | S | C | . | . | S | Bend | trans | 74 | 25.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S98 P233 S234 | S98-G100 PolarHBondContact O-N 3.23Å; G100-P233 VanDerWaalsContact CA-O 3.28Å; G100-P233 WeakPolarHBondContact CA-O 3.36Å; G100-S234 PolarHBondContact N-OG 3.37Å |
| 101 | D | 95.6 | Very high | 97.4 | Very high | 71 Ų | 71 | 21.5 Ų | 21.5 | 38% | 0.38 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -99.6 | -48.7 | -178.2 | -169.6 | 99.7 | 0 | 0 | 0 | 112.6 | S60 R61 S98 | S60-D101 WeakPolarHBondContact CB-OD1 3.28Å; S60-D101 PolarHBondContact OG-OD1 2.94Å; R61-D101 HydrophobicContact CG-CB 4.21Å; R61-D101 IonicContact CZ-OD2 3.66Å; R61-D101 IonicContact NE-OD2 2.75Å; R61-D101 PolarHBondContact NE-OD2 2.93Å; R61-D101 IonicContact NH2-OD2 2.66Å; R61-D101 PolarHBondContact NH2-OD2 3.47Å; S98-D101 PolarHBondContact OG-N 2.84Å |
| 102 | Y | 97.5 | Very high | 97.5 | Very high | 10 Ų | 10 | 22.1 Ų | 22.1 | 4% | 0.039 | 11% | 0.114 | C | C | . | . | trans | -134.8 | 165 | 169.1 | 70.4 | -98.3 | 0 | 0 | 0 | 111.1 | H21 R61 N96 S98 D106 A107 F110 V235 | H21-Y102 AromaticContact CE1-CE1 3.47Å; H21-Y102 VanDerWaalsContact CE1-CE1 3.47Å; H21-Y102 WeakPolarHBondContact CE1-CE1 3.46Å; H21-Y102 AromaticContact CE1-CZ 3.82Å; H21-Y102 PolarHBondContact CE1-OH 3.23Å; H21-Y102 AromaticContact NE2-CE1 3.34Å; H21-Y102 VanDerWaalsContact NE2-CE1 3.34Å; H21-Y102 WeakPolarHBondContact NE2-CE1 3.28Å; H21-Y102 AromaticContact NE2-CZ 3.54Å; H21-Y102 PolarHBondContact NE2-OH 3.04Å; R61-Y102 HydrophobicContact CG-CD1 4.39Å; R61-Y102 HydrophobicContact CG-CE1 4.18Å; N96-Y102 PolarHBondContact ND2-OH 3.06Å; S98-Y102 WeakPolarHBondContact CB-O 3.37Å; S98-Y102 PolarHBondContact OG-N 3.34Å; S98-Y102 PolarHBondContact OG-O 2.92Å; Y102-D106 HydrophobicContact CD2-CB 3.71Å; Y102-D106 HydrophobicContact CG-CB 3.9Å; Y102-A107 HydrophobicContact CD2-CB 4.37Å; Y102-A107 HydrophobicContact CE2-CB 3.96Å; Y102-F110 HydrophobicContact CD1-CE2 4.26Å; Y102-F110 HydrophobicContact CD2-CE2 4.44Å; Y102-F110 AromaticContact CE1-CE2 3.97Å; Y102-F110 HydrophobicContact CE1-CE2 3.97Å; Y102-F110 HydrophobicContact CE2-CD2 4.22Å; Y102-F110 HydrophobicContact CE2-CE2 4.19Å; Y102-F110 HydrophobicContact CG-CE2 4.47Å; Y102-F110 AromaticContact CZ-CE2 3.93Å; Y102-V235 HydrophobicContact CD2-CG2 4.08Å; Y102-V235 HydrophobicContact CE2-CB 4.15Å; Y102-V235 HydrophobicContact CE2-CG1 4.32Å; Y102-V235 HydrophobicContact CE2-CG2 3.94Å | ||
| 103 | F | 96.7 | Very high | 97.5 | Very high | 39 Ų | 39 | 25.3 Ų | 25.3 | 17% | 0.171 | 13% | 0.129 | C | C | . | . | trans | -134 | -136.4 | -177.2 | -159 | -129.2 | 0 | 0 | 0 | 112.3 | H105 A107 F216 Q218 P233 S234 V235 | F103-H105 PolarHBondContact O-N 2.82Å; F103-A107 WeakPolarHBondContact O-CB 3.41Å; F103-A107 PolarHBondContact O-N 3.03Å; F103-A107 VanDerWaalsContact O-N 3.07Å; F103-F216 HydrophobicContact CE1-CB 4.45Å; F103-F216 HydrophobicContact CE2-CB 3.81Å; F103-F216 HydrophobicContact CE2-CD1 4.47Å; F103-F216 HydrophobicContact CZ-CB 3.61Å; F103-F216 HydrophobicContact CZ-CG 4.41Å; F103-Q218 HydrophobicContact CE2-CG 4.44Å; F103-Q218 HydrophobicContact CZ-CG 3.74Å; F103-P233 HydrophobicContact CD1-CB 4.49Å; F103-P233 HydrophobicContact CD2-CB 3.88Å; F103-P233 HydrophobicContact CE1-CB 4.3Å; F103-P233 HydrophobicContact CE2-CB 3.66Å; F103-P233 HydrophobicContact CG-CB 4.31Å; F103-P233 HydrophobicContact CZ-CB 3.89Å; F103-S234 WeakPolarHBondContact CE2-O 3.4Å; F103-V235 HydrophobicContact CD2-CG2 4.08Å | ||
| 104 | K | 97.9 | Very high | 97.6 | Very high | 11 Ų | 11 | 24.3 Ų | 24.3 | 5% | 0.048 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.2 | -50 | -168.1 | -50.2 | -157.1 | -177.7 | 137.6 | 0 | 114.4 | A107 I108 D136 E138 A139 I142 F216 | K104-A107 PolarHBondContact O-N 3.17Å; K104-I108 WeakPolarHBondContact O-CB 3.39Å; K104-I108 WeakPolarHBondContact O-CG1 3.19Å; K104-I108 PolarHBondContact O-N 3.22Å; K104-D136 WeakPolarHBondContact CE-OD2 3.45Å; K104-D136 IonicContact NZ-OD1 3.53Å; K104-D136 PolarHBondContact NZ-OD1 3.26Å; K104-D136 IonicContact NZ-OD2 3.13Å; K104-D136 PolarHBondContact NZ-OD2 2.86Å; K104-D136 VanDerWaalsContact NZ-OD2 3.1Å; K104-E138 HydrophobicContact CD-CB 4.2Å; K104-E138 HydrophobicContact CD-CG 4.04Å; K104-E138 WeakPolarHBondContact CD-OE2 3.39Å; K104-E138 WeakPolarHBondContact CE-OE2 3.44Å; K104-E138 IonicContact NZ-OE2 3.65Å; K104-E138 PolarHBondContact NZ-OE2 3.02Å; K104-A139 HydrophobicContact CD-CB 4.21Å; K104-I142 HydrophobicContact CB-CD1 3.84Å; K104-F216 HydrophobicContact CB-CD1 4.23Å; K104-F216 HydrophobicContact CB-CE1 3.84Å; K104-F216 HydrophobicContact CB-CE2 4.49Å; K104-F216 HydrophobicContact CB-CZ 3.97Å; K104-F216 HydrophobicContact CD-CD1 4.24Å; K104-F216 HydrophobicContact CD-CD2 3.66Å; K104-F216 HydrophobicContact CD-CE1 4.32Å; K104-F216 HydrophobicContact CD-CE2 3.75Å; K104-F216 HydrophobicContact CD-CG 3.92Å; K104-F216 HydrophobicContact CD-CZ 4.08Å; K104-F216 HydrophobicContact CG-CD1 3.65Å; K104-F216 HydrophobicContact CG-CD2 4.02Å; K104-F216 HydrophobicContact CG-CE1 3.75Å; K104-F216 HydrophobicContact CG-CE2 4.1Å; K104-F216 HydrophobicContact CG-CG 3.79Å; K104-F216 HydrophobicContact CG-CZ 3.97Å |
| 105 | H | 97.8 | Very high | 97.6 | Very high | 82 Ų | 82 | 24.3 Ų | 24.3 | 38% | 0.38 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -54 | -58.7 | -177.1 | 174.9 | -81.8 | 0 | 0 | 0 | 111.8 | F103 A107 I108 Q109 I142 E146 | F103-H105 PolarHBondContact O-N 2.82Å; H105-A107 PolarHBondContact O-N 3.5Å; H105-I108 PolarHBondContact O-N 3.41Å; H105-Q109 VanDerWaalsContact O-CG 3.23Å; H105-Q109 WeakPolarHBondContact O-CG 3.47Å; H105-Q109 PolarHBondContact O-N 3.44Å; H105-Q109 VanDerWaalsContact O-N 3.08Å; H105-I142 HydrophobicContact CB-CD1 4.19Å; H105-E146 IonicContact CD2-OE1 3.57Å; H105-E146 IonicContact CD2-OE2 3.01Å; H105-E146 PolarHBondContact CD2-OE2 3.33Å; H105-E146 IonicContact NE2-OE2 3.05Å; H105-E146 PolarHBondContact NE2-OE2 2.98Å |
| 106 | D | 98 | Very high | 97.6 | Very high | 64 Ų | 64 | 25.2 Ų | 25.2 | 34% | 0.342 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -67.8 | -36.8 | -178.6 | -58.4 | -70.1 | 0 | 0 | 0 | 112.6 | Y102 I108 Q109 F110 | Y102-D106 HydrophobicContact CD2-CB 3.71Å; Y102-D106 HydrophobicContact CG-CB 3.9Å; D106-I108 PolarHBondContact O-N 3.05Å; D106-Q109 PolarHBondContact O-N 2.95Å; D106-F110 HydrophobicContact CB-CD2 4.5Å; D106-F110 HydrophobicContact CB-CE2 3.98Å; D106-F110 HydrophobicContact CB-CZ 4.08Å; D106-F110 WeakPolarHBondContact O-CB 3.22Å; D106-F110 VanDerWaalsContact O-CD2 3.25Å; D106-F110 WeakPolarHBondContact O-CD2 3.48Å; D106-F110 WeakPolarHBondContact O-CG 3.5Å; D106-F110 PolarHBondContact O-N 2.81Å |
| 107 | A | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 2% | 0.017 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.7 | -47.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y102 F103 K104 H105 A111 I214 F216 V235 | Y102-A107 HydrophobicContact CD2-CB 4.37Å; Y102-A107 HydrophobicContact CE2-CB 3.96Å; F103-A107 WeakPolarHBondContact O-CB 3.41Å; F103-A107 PolarHBondContact O-N 3.03Å; F103-A107 VanDerWaalsContact O-N 3.07Å; K104-A107 PolarHBondContact O-N 3.17Å; H105-A107 PolarHBondContact O-N 3.5Å; A107-A111 WeakPolarHBondContact O-CB 3.19Å; A107-A111 PolarHBondContact O-N 3.4Å; A107-I214 HydrophobicContact CB-CG2 3.99Å; A107-F216 HydrophobicContact CB-CE1 4.21Å; A107-V235 HydrophobicContact CB-CG1 3.88Å; A107-V235 HydrophobicContact CB-CG2 4.06Å |
| 108 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.9 | -44.1 | 178.8 | -70.7 | 169.7 | 0 | 0 | 0 | 110.6 | K104 H105 D106 A111 W112 A139 I142 W143 V147 T183 F216 | K104-I108 WeakPolarHBondContact O-CB 3.39Å; K104-I108 WeakPolarHBondContact O-CG1 3.19Å; K104-I108 PolarHBondContact O-N 3.22Å; H105-I108 PolarHBondContact O-N 3.41Å; D106-I108 PolarHBondContact O-N 3.05Å; I108-A111 PolarHBondContact O-N 2.85Å; I108-W112 WeakPolarHBondContact O-CB 3.47Å; I108-W112 PolarHBondContact O-N 3.04Å; I108-A139 HydrophobicContact CD1-CB 4.16Å; I108-I142 HydrophobicContact CB-CG2 3.93Å; I108-I142 HydrophobicContact CD1-CB 3.98Å; I108-I142 HydrophobicContact CD1-CD1 4.05Å; I108-I142 HydrophobicContact CD1-CG2 3.92Å; I108-I142 HydrophobicContact CG2-CG2 3.64Å; I108-W143 HydrophobicContact CB-CZ2 4.36Å; I108-W143 HydrophobicContact CG1-CZ2 4.07Å; I108-W143 HydrophobicContact CG2-CD2 3.69Å; I108-W143 HydrophobicContact CG2-CE3 3.71Å; I108-W143 HydrophobicContact CG2-CG 4.45Å; I108-W143 HydrophobicContact CG2-CH2 3.74Å; I108-W143 HydrophobicContact CG2-CZ2 3.73Å; I108-W143 HydrophobicContact CG2-CZ3 3.73Å; I108-V147 HydrophobicContact CG2-CG2 3.67Å; I108-T183 HydrophobicContact CG1-CG2 4.32Å; I108-F216 HydrophobicContact CD1-CZ 4.1Å; I108-F216 HydrophobicContact CG1-CZ 4.18Å |
| 109 | Q | 98.2 | Very high | 97.2 | Very high | 57 Ų | 57 | 43.1 Ų | 43.1 | 27% | 0.266 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 178.4 | -68.6 | -69.2 | -9.5 | 0 | 0 | 112.1 | H105 D106 W112 E113 E146 | H105-Q109 VanDerWaalsContact O-CG 3.23Å; H105-Q109 WeakPolarHBondContact O-CG 3.47Å; H105-Q109 PolarHBondContact O-N 3.44Å; H105-Q109 VanDerWaalsContact O-N 3.08Å; D106-Q109 PolarHBondContact O-N 2.95Å; Q109-W112 PolarHBondContact O-N 3.47Å; Q109-E113 WeakPolarHBondContact O-CB 3.21Å; Q109-E113 PolarHBondContact O-N 2.98Å; Q109-E146 PolarHBondContact NE2-OE2 3.25Å |
| 110 | F | 98.4 | Very high | 97.2 | Very high | 24 Ų | 24 | 43.4 Ų | 43.4 | 11% | 0.105 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | 175.1 | -65.7 | -21.5 | 0 | 0 | 0 | 111.8 | F15 F16 K19 Y102 D106 E113 L114 | F15-F110 HydrophobicContact CE1-CB 4.09Å; F15-F110 WeakPolarHBondContact CE1-O 3.48Å; F15-F110 HydrophobicContact CZ-CB 4.2Å; F15-F110 VanDerWaalsContact CZ-O 3.23Å; F15-F110 WeakPolarHBondContact CZ-O 3.41Å; F16-F110 HydrophobicContact CE1-CB 4.09Å; F16-F110 HydrophobicContact CE1-CD2 4.27Å; F16-F110 HydrophobicContact CE1-CG 4.5Å; F16-F110 HydrophobicContact CZ-CB 4.44Å; K19-F110 HydrophobicContact CB-CE2 4.48Å; K19-F110 HydrophobicContact CB-CZ 4.32Å; K19-F110 HydrophobicContact CD-CD1 4.04Å; K19-F110 HydrophobicContact CD-CE1 3.82Å; K19-F110 HydrophobicContact CD-CZ 4.42Å; K19-F110 HydrophobicContact CG-CD1 4.16Å; K19-F110 HydrophobicContact CG-CE1 4.14Å; K19-F110 HydrophobicContact CG-CG 4.48Å; K19-F110 HydrophobicContact CG-CZ 4.43Å; Y102-F110 HydrophobicContact CD1-CE2 4.26Å; Y102-F110 HydrophobicContact CD2-CE2 4.44Å; Y102-F110 AromaticContact CE1-CE2 3.97Å; Y102-F110 HydrophobicContact CE1-CE2 3.97Å; Y102-F110 HydrophobicContact CE2-CD2 4.22Å; Y102-F110 HydrophobicContact CE2-CE2 4.19Å; Y102-F110 HydrophobicContact CG-CE2 4.47Å; Y102-F110 AromaticContact CZ-CE2 3.93Å; D106-F110 HydrophobicContact CB-CD2 4.5Å; D106-F110 HydrophobicContact CB-CE2 3.98Å; D106-F110 HydrophobicContact CB-CZ 4.08Å; D106-F110 WeakPolarHBondContact O-CB 3.22Å; D106-F110 VanDerWaalsContact O-CD2 3.25Å; D106-F110 WeakPolarHBondContact O-CD2 3.48Å; D106-F110 WeakPolarHBondContact O-CG 3.5Å; D106-F110 PolarHBondContact O-N 2.81Å; F110-E113 PolarHBondContact O-N 2.96Å; F110-L114 WeakPolarHBondContact O-CB 3.1Å; F110-L114 PolarHBondContact O-N 2.83Å |
| 111 | A | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A107 I108 E113 L114 L115 I185 W212 I214 | A107-A111 WeakPolarHBondContact O-CB 3.19Å; A107-A111 PolarHBondContact O-N 3.4Å; I108-A111 PolarHBondContact O-N 2.85Å; A111-E113 PolarHBondContact O-N 2.99Å; A111-L114 PolarHBondContact O-N 3.31Å; A111-L115 WeakPolarHBondContact O-CG 3.46Å; A111-L115 PolarHBondContact O-N 3.33Å; A111-L115 VanDerWaalsContact O-N 3.07Å; A111-I185 HydrophobicContact CB-CD1 3.96Å; A111-W212 HydrophobicContact CB-CD2 4.39Å; A111-W212 HydrophobicContact CB-CE3 3.81Å; A111-W212 HydrophobicContact CB-CH2 3.75Å; A111-W212 HydrophobicContact CB-CZ2 4.32Å; A111-W212 HydrophobicContact CB-CZ3 3.48Å; A111-W212 VanDerWaalsContact CB-CZ3 3.48Å; A111-I214 HydrophobicContact CB-CD1 3.47Å; A111-I214 VanDerWaalsContact CB-CD1 3.47Å |
| 112 | W | 98.3 | Very high | 97.5 | Very high | 28 Ų | 28 | 41.3 Ų | 41.3 | 11% | 0.106 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 178.3 | -170.8 | -113.6 | 0 | 0 | 0 | 113.2 | I108 Q109 T116 K125 L128 W143 V147 I149 | I108-W112 WeakPolarHBondContact O-CB 3.47Å; I108-W112 PolarHBondContact O-N 3.04Å; Q109-W112 PolarHBondContact O-N 3.47Å; W112-T116 HydrophobicContact CD2-CG2 3.74Å; W112-T116 HydrophobicContact CE3-CG2 3.82Å; W112-T116 HydrophobicContact CG-CG2 4.46Å; W112-T116 HydrophobicContact CH2-CG2 3.95Å; W112-T116 HydrophobicContact CZ2-CG2 3.87Å; W112-T116 HydrophobicContact CZ3-CG2 3.92Å; W112-T116 WeakPolarHBondContact O-CB 3.38Å; W112-T116 PolarHBondContact O-N 3.03Å; W112-T116 PolarHBondContact O-OG1 2.91Å; W112-K125 HydrophobicContact CH2-CB 4.13Å; W112-K125 HydrophobicContact CH2-CG 4.23Å; W112-K125 HydrophobicContact CZ2-CB 4.12Å; W112-K125 HydrophobicContact CZ2-CD 3.92Å; W112-K125 HydrophobicContact CZ2-CG 3.85Å; W112-L128 HydrophobicContact CE3-CD1 4.13Å; W112-L128 HydrophobicContact CH2-CB 4.46Å; W112-L128 HydrophobicContact CH2-CD1 4.04Å; W112-L128 HydrophobicContact CZ3-CB 4.03Å; W112-L128 HydrophobicContact CZ3-CD1 3.48Å; W112-L128 VanDerWaalsContact CZ3-CD1 3.48Å; W112-L128 HydrophobicContact CZ3-CG 4.4Å; W112-W143 HydrophobicContact CB-CZ3 4.4Å; W112-W143 HydrophobicContact CD2-CZ3 4.44Å; W112-W143 AromaticContact CE3-CZ3 3.85Å; W112-W143 HydrophobicContact CE3-CZ3 3.85Å; W112-W143 HydrophobicContact CZ3-CZ3 4.49Å; W112-V147 HydrophobicContact CB-CG1 4.27Å; W112-V147 HydrophobicContact CD2-CG1 3.33Å; W112-V147 HydrophobicContact CE3-CG1 3.85Å; W112-V147 HydrophobicContact CG-CG1 3.53Å; W112-V147 HydrophobicContact CH2-CG1 4.31Å; W112-V147 HydrophobicContact CZ2-CG1 3.86Å; W112-V147 HydrophobicContact CZ3-CG1 4.3Å; W112-I149 HydrophobicContact CE3-CD1 4.35Å; W112-I149 HydrophobicContact CH2-CD1 4.14Å; W112-I149 HydrophobicContact CH2-CG1 4.05Å; W112-I149 HydrophobicContact CZ3-CD1 3.75Å; W112-I149 HydrophobicContact CZ3-CG1 4.16Å |
| 113 | E | 98.2 | Very high | 97.4 | Very high | 69 Ų | 69 | 41.3 Ų | 41.3 | 32% | 0.322 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.4 | -47.9 | 176.9 | -176.2 | -173.4 | 153.9 | 0 | 0 | 111.3 | F15 K19 Q109 F110 A111 L115 S117 | F15-E113 HydrophobicContact CE2-CB 4.3Å; F15-E113 HydrophobicContact CE2-CG 3.98Å; F15-E113 HydrophobicContact CZ-CB 4.17Å; F15-E113 HydrophobicContact CZ-CG 4.35Å; K19-E113 WeakPolarHBondContact CE-OE2 3.35Å; K19-E113 IonicContact NZ-OE1 3Å; K19-E113 PolarHBondContact NZ-OE1 2.86Å; K19-E113 IonicContact NZ-OE2 2.65Å; K19-E113 PolarHBondContact NZ-OE2 2.84Å; Q109-E113 WeakPolarHBondContact O-CB 3.21Å; Q109-E113 PolarHBondContact O-N 2.98Å; F110-E113 PolarHBondContact O-N 2.96Å; A111-E113 PolarHBondContact O-N 2.99Å; E113-L115 PolarHBondContact O-N 2.85Å; E113-S117 WeakPolarHBondContact O-CB 3.37Å; E113-S117 PolarHBondContact O-N 3.43Å |
| 114 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.5 | -48.2 | -179.9 | 177.8 | 65.6 | 0 | 0 | 0 | 111.2 | F12 F15 F16 F110 A111 W120 F121 W212 M239 | F12-L114 HydrophobicContact CD2-CD2 3.61Å; F12-L114 HydrophobicContact CE2-CD2 4.09Å; F15-L114 HydrophobicContact CB-CD1 3.72Å; F15-L114 HydrophobicContact CD1-CB 3.88Å; F15-L114 HydrophobicContact CD1-CD1 3.87Å; F15-L114 HydrophobicContact CD1-CD2 4.12Å; F15-L114 HydrophobicContact CD1-CG 4.17Å; F15-L114 HydrophobicContact CD2-CD1 4.2Å; F15-L114 HydrophobicContact CE1-CB 3.71Å; F15-L114 HydrophobicContact CE1-CG 4.48Å; F15-L114 HydrophobicContact CE2-CB 4.33Å; F15-L114 HydrophobicContact CG-CB 4.28Å; F15-L114 HydrophobicContact CG-CD1 3.65Å; F15-L114 HydrophobicContact CG-CG 4.41Å; F15-L114 HydrophobicContact CZ-CB 3.93Å; F16-L114 HydrophobicContact CE2-CD2 4.19Å; F110-L114 WeakPolarHBondContact O-CB 3.1Å; F110-L114 PolarHBondContact O-N 2.83Å; A111-L114 PolarHBondContact O-N 3.31Å; L114-W120 HydrophobicContact CD1-CB 3.93Å; L114-W120 HydrophobicContact CD1-CD2 4.37Å; L114-W120 HydrophobicContact CD1-CG 4.12Å; L114-W120 VanDerWaalsContact O-CB 3.29Å; L114-W120 WeakPolarHBondContact O-CB 3.48Å; L114-F121 HydrophobicContact CD1-CD1 4.49Å; L114-F121 HydrophobicContact CD1-CE1 4.32Å; L114-F121 HydrophobicContact CD1-CE2 4.33Å; L114-F121 HydrophobicContact CD1-CZ 4.22Å; L114-F121 HydrophobicContact CD2-CE2 4.02Å; L114-F121 HydrophobicContact CD2-CZ 4.35Å; L114-F121 HydrophobicContact CG-CD2 4.11Å; L114-F121 HydrophobicContact CG-CE2 3.99Å; L114-F121 HydrophobicContact CG-CZ 4.36Å; L114-F121 WeakPolarHBondContact O-CB 3.33Å; L114-F121 PolarHBondContact O-N 3.33Å; L114-F121 VanDerWaalsContact O-N 3.17Å; L114-W212 HydrophobicContact CB-CH2 4.43Å; L114-W212 HydrophobicContact CB-CZ3 4.32Å; L114-W212 HydrophobicContact CD2-CH2 3.7Å; L114-W212 HydrophobicContact CD2-CZ3 3.87Å; L114-M239 HydrophobicContact CD2-CE 4.17Å |
| 115 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.1 | -42.1 | -175.9 | -67.2 | -176.3 | 0 | 0 | 0 | 112.3 | A111 E113 F121 A122 L123 L128 I185 I211 W212 I244 | A111-L115 WeakPolarHBondContact O-CG 3.46Å; A111-L115 PolarHBondContact O-N 3.33Å; A111-L115 VanDerWaalsContact O-N 3.07Å; E113-L115 PolarHBondContact O-N 2.85Å; L115-F121 HydrophobicContact CD2-CD2 3.9Å; L115-F121 HydrophobicContact CD2-CE2 4.44Å; L115-A122 PolarHBondContact O-N 3.08Å; L115-L123 HydrophobicContact CB-CD1 4.4Å; L115-L123 HydrophobicContact CD2-CD1 4.07Å; L115-L123 VanDerWaalsContact O-CB 3.31Å; L115-L123 WeakPolarHBondContact O-CB 3.46Å; L115-L123 PolarHBondContact O-N 3.5Å; L115-L128 HydrophobicContact CB-CD1 4.35Å; L115-L128 HydrophobicContact CD1-CD1 4.42Å; L115-I185 HydrophobicContact CD1-CB 4.46Å; L115-I185 HydrophobicContact CD1-CD1 3.72Å; L115-I185 HydrophobicContact CD1-CG2 3.78Å; L115-I211 HydrophobicContact CD1-CD1 4.02Å; L115-I211 HydrophobicContact CD2-CD1 4.12Å; L115-W212 HydrophobicContact CD1-CE3 4.09Å; L115-W212 HydrophobicContact CD2-CE3 4.1Å; L115-W212 HydrophobicContact CD2-CZ3 4.26Å; L115-W212 HydrophobicContact CG-CE3 4.02Å; L115-W212 HydrophobicContact CG-CZ3 4.05Å; L115-I244 HydrophobicContact CD2-CD1 4.21Å |
| 116 | T | 97.8 | Very high | 97.3 | Very high | 19 Ų | 19 | 48 Ų | 48 | 12% | 0.117 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -107.2 | -17.3 | -164.9 | 69.5 | 0 | 0 | 0 | 0 | 115.2 | W112 K125 L128 | W112-T116 HydrophobicContact CD2-CG2 3.74Å; W112-T116 HydrophobicContact CE3-CG2 3.82Å; W112-T116 HydrophobicContact CG-CG2 4.46Å; W112-T116 HydrophobicContact CH2-CG2 3.95Å; W112-T116 HydrophobicContact CZ2-CG2 3.87Å; W112-T116 HydrophobicContact CZ3-CG2 3.92Å; W112-T116 WeakPolarHBondContact O-CB 3.38Å; W112-T116 PolarHBondContact O-N 3.03Å; W112-T116 PolarHBondContact O-OG1 2.91Å; T116-K125 HydrophobicContact CG2-CG 3.86Å; T116-L128 HydrophobicContact CG2-CD1 3.57Å |
| 117 | S | 96.8 | Very high | 97.2 | Very high | 38 Ų | 38 | 48.8 Ų | 48.8 | 27% | 0.266 | 24% | 0.237 | S | C | . | . | trans | -69.2 | 135 | 179.6 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | E113 K119 W120 A122 | E113-S117 WeakPolarHBondContact O-CB 3.37Å; E113-S117 PolarHBondContact O-N 3.43Å; S117-K119 PolarHBondContact O-N 3.27Å; S117-K119 VanDerWaalsContact O-N 3.13Å; S117-K119 PolarHBondContact OG-N 3.22Å; S117-W120 PolarHBondContact O-N 3.14Å; S117-A122 WeakPolarHBondContact O-CA 3.45Å; S117-A122 PolarHBondContact O-N 3.1Å; S117-A122 VanDerWaalsContact O-N 3.07Å | ||
| 118 | E | 94.6 | Very high | 97.2 | Very high | 185 Ų | 185 | 48.7 Ų | 48.7 | 86% | 0.864 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -26.3 | 174 | -67.9 | -174.4 | 178.5 | 0 | 0 | 112.9 | W120 | E118-W120 VanDerWaalsContact C-N 3.26Å; E118-W120 PolarHBondContact O-N 3.18Å |
| 119 | K | 94.6 | Very high | 97.2 | Very high | 156 Ų | 156 | 50.6 Ų | 50.6 | 68% | 0.678 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67 | -27.6 | 177 | -175.1 | 179.6 | 173.6 | -172.8 | 0 | 112.5 | S117 | S117-K119 PolarHBondContact O-N 3.27Å; S117-K119 VanDerWaalsContact O-N 3.13Å; S117-K119 PolarHBondContact OG-N 3.22Å |
| 120 | W | 96 | Very high | 97.2 | Very high | 24 Ų | 24 | 47.9 Ų | 47.9 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -106.8 | -170.1 | -59.8 | 115.2 | 0 | 0 | 0 | 111.3 | K3 A11 D14 F15 L114 S117 E118 | K3-W120 PolarHBondContact NZ-O 3.28Å; A11-W120 HydrophobicContact CB-CE3 4.47Å; A11-W120 WeakPolarHBondContact O-CZ3 3.32Å; D14-W120 HydrophobicContact CB-CH2 4.4Å; D14-W120 HydrophobicContact CB-CZ3 4.26Å; F15-W120 VanDerWaalsContact CA-CH2 3.45Å; F15-W120 HydrophobicContact CB-CD2 4.18Å; F15-W120 HydrophobicContact CB-CE3 4.02Å; F15-W120 HydrophobicContact CB-CH2 3.83Å; F15-W120 HydrophobicContact CB-CZ2 3.99Å; F15-W120 HydrophobicContact CB-CZ3 3.85Å; F15-W120 AromaticContact CD2-CD1 3.88Å; F15-W120 AromaticContact CD2-CD2 3.96Å; F15-W120 HydrophobicContact CD2-CD2 3.96Å; F15-W120 AromaticContact CD2-CE2 3.4Å; F15-W120 VanDerWaalsContact CD2-CE2 3.4Å; F15-W120 HydrophobicContact CD2-CG 4.28Å; F15-W120 HydrophobicContact CD2-CH2 4.37Å; F15-W120 AromaticContact CD2-CZ2 3.64Å; F15-W120 HydrophobicContact CD2-CZ2 3.64Å; F15-W120 AromaticContact CD2-NE1 3.35Å; F15-W120 VanDerWaalsContact CD2-NE1 3.35Å; F15-W120 AromaticContact CE2-NE1 3.72Å; F15-W120 HydrophobicContact CG-CD2 4.46Å; F15-W120 HydrophobicContact CG-CZ2 4.32Å; L114-W120 HydrophobicContact CD1-CB 3.93Å; L114-W120 HydrophobicContact CD1-CD2 4.37Å; L114-W120 HydrophobicContact CD1-CG 4.12Å; L114-W120 VanDerWaalsContact O-CB 3.29Å; L114-W120 WeakPolarHBondContact O-CB 3.48Å; S117-W120 PolarHBondContact O-N 3.14Å; E118-W120 VanDerWaalsContact C-N 3.26Å; E118-W120 PolarHBondContact O-N 3.18Å |
| 121 | F | 97.5 | Very high | 97.2 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.035 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -25.2 | -175.2 | -70.1 | -5.4 | 0 | 0 | 0 | 113.6 | I8 A11 L114 L115 L123 M239 I244 L248 | I8-F121 HydrophobicContact CG2-CE1 4.15Å; I8-F121 HydrophobicContact CG2-CZ 3.91Å; A11-F121 HydrophobicContact CB-CE1 4.1Å; L114-F121 HydrophobicContact CD1-CD1 4.49Å; L114-F121 HydrophobicContact CD1-CE1 4.32Å; L114-F121 HydrophobicContact CD1-CE2 4.33Å; L114-F121 HydrophobicContact CD1-CZ 4.22Å; L114-F121 HydrophobicContact CD2-CE2 4.02Å; L114-F121 HydrophobicContact CD2-CZ 4.35Å; L114-F121 HydrophobicContact CG-CD2 4.11Å; L114-F121 HydrophobicContact CG-CE2 3.99Å; L114-F121 HydrophobicContact CG-CZ 4.36Å; L114-F121 WeakPolarHBondContact O-CB 3.33Å; L114-F121 PolarHBondContact O-N 3.33Å; L114-F121 VanDerWaalsContact O-N 3.17Å; L115-F121 HydrophobicContact CD2-CD2 3.9Å; L115-F121 HydrophobicContact CD2-CE2 4.44Å; F121-L123 HydrophobicContact CB-CG 4.33Å; F121-L123 PolarHBondContact O-N 3.27Å; F121-M239 HydrophobicContact CE2-CE 3.81Å; F121-M239 HydrophobicContact CE2-SD 4.32Å; F121-M239 HydrophobicContact CZ-CE 4.28Å; F121-I244 HydrophobicContact CD2-CD1 4.12Å; F121-I244 HydrophobicContact CD2-CG1 4.02Å; F121-I244 HydrophobicContact CE2-CD1 4.26Å; F121-I244 HydrophobicContact CE2-CG1 3.7Å; F121-I244 HydrophobicContact CZ-CG1 4.46Å; F121-L248 HydrophobicContact CB-CD1 4.28Å; F121-L248 HydrophobicContact CB-CD2 3.95Å; F121-L248 HydrophobicContact CD1-CD1 3.74Å; F121-L248 HydrophobicContact CD2-CD1 4.04Å; F121-L248 HydrophobicContact CE1-CD1 4.02Å; F121-L248 HydrophobicContact CE2-CD1 4.32Å; F121-L248 HydrophobicContact CG-CD1 3.76Å; F121-L248 HydrophobicContact CG-CD2 4.35Å; F121-L248 HydrophobicContact CZ-CD1 4.31Å; F121-L248 WeakPolarHBondContact O-CD2 3.11Å |
| 122 | A | 96.5 | Very high | 97.2 | Very high | 51 Ų | 51 | 46.7 Ų | 46.7 | 42% | 0.421 | 23% | 0.225 | S | C | . | . | trans | 53.7 | 36.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | L115 S117 | L115-A122 PolarHBondContact O-N 3.08Å; S117-A122 WeakPolarHBondContact O-CA 3.45Å; S117-A122 PolarHBondContact O-N 3.1Å; S117-A122 VanDerWaalsContact O-N 3.07Å | ||
| 123 | L | 96.9 | Very high | 97.1 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | trans | -67.9 | 141.8 | 176.6 | -64.3 | -175.7 | 0 | 0 | 0 | 111 | L115 F121 K125 L128 Y187 I211 I244 V247 L248 | L115-L123 HydrophobicContact CB-CD1 4.4Å; L115-L123 HydrophobicContact CD2-CD1 4.07Å; L115-L123 VanDerWaalsContact O-CB 3.31Å; L115-L123 WeakPolarHBondContact O-CB 3.46Å; L115-L123 PolarHBondContact O-N 3.5Å; F121-L123 HydrophobicContact CB-CG 4.33Å; F121-L123 PolarHBondContact O-N 3.27Å; L123-K125 PolarHBondContact O-N 2.94Å; L123-L128 HydrophobicContact CD1-CD2 4.29Å; L123-Y187 HydrophobicContact CD1-CD2 4.4Å; L123-Y187 HydrophobicContact CD2-CE2 4.44Å; L123-I211 HydrophobicContact CD1-CD1 4.17Å; L123-I244 HydrophobicContact CD1-CD1 4.1Å; L123-V247 HydrophobicContact CD1-CG1 4.23Å; L123-V247 HydrophobicContact CD2-CG1 3.64Å; L123-L248 HydrophobicContact CD2-CD2 3.59Å; L123-L248 HydrophobicContact CD2-CG 4.35Å; L123-L248 HydrophobicContact CG-CD2 4.39Å | ||
| 124 | P | 96.4 | Very high | 97 | Very high | 49 Ų | 49 | 48.9 Ų | 48.9 | 32% | 0.318 | 24% | 0.236 | S | C | . | . | trans | -63.7 | 122.9 | 175.9 | -16 | 27.9 | 0 | 0 | 0 | 111.1 | E126 R127 | P124-E126 VanDerWaalsContact CB-CD 3.46Å; P124-E126 WeakPolarHBondContact CB-OE1 3.42Å; P124-E126 WeakPolarHBondContact CB-OE2 3.21Å; P124-E126 PolarHBondContact O-N 2.9Å; P124-R127 HydrophobicContact CB-CB 4.44Å; P124-R127 HydrophobicContact CB-CG 3.9Å; P124-R127 HydrophobicContact CG-CG 4.26Å; P124-R127 WeakPolarHBondContact O-CB 3.37Å; P124-R127 PolarHBondContact O-N 2.98Å; P124-R127 VanDerWaalsContact O-N 3.07Å | ||
| 125 | K | 97.1 | Very high | 96.8 | Very high | 113 Ų | 113 | 53.2 Ų | 53.2 | 49% | 0.491 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -60.8 | -31.1 | -174.6 | -64.9 | -178.9 | 175.5 | -177.6 | 0 | 112.6 | W112 T116 L123 R127 L128 | W112-K125 HydrophobicContact CH2-CB 4.13Å; W112-K125 HydrophobicContact CH2-CG 4.23Å; W112-K125 HydrophobicContact CZ2-CB 4.12Å; W112-K125 HydrophobicContact CZ2-CD 3.92Å; W112-K125 HydrophobicContact CZ2-CG 3.85Å; T116-K125 HydrophobicContact CG2-CG 3.86Å; L123-K125 PolarHBondContact O-N 2.94Å; K125-R127 PolarHBondContact O-N 3.04Å; K125-L128 PolarHBondContact O-N 3.3Å |
| 126 | E | 96.3 | Very high | 96.7 | Very high | 109 Ų | 109 | 53.5 Ų | 53.5 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -73.1 | -13.1 | -179.6 | 75.3 | -72.1 | 174.8 | 0 | 0 | 114.1 | P124 R153 | P124-E126 VanDerWaalsContact CB-CD 3.46Å; P124-E126 WeakPolarHBondContact CB-OE1 3.42Å; P124-E126 WeakPolarHBondContact CB-OE2 3.21Å; P124-E126 PolarHBondContact O-N 2.9Å; E126-R153 VanDerWaalsContact CA-NH1 3.32Å; E126-R153 PolarHBondContact O-NH1 3.44Å |
| 127 | R | 96.5 | Very high | 96.7 | Very high | 81 Ų | 81 | 57 Ų | 57 | 31% | 0.306 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -91.7 | -6.2 | 177 | -63.1 | -78.4 | -178.6 | 156.3 | 4.3 | 112.6 | P124 K125 Y187 D188 H189 | P124-R127 HydrophobicContact CB-CB 4.44Å; P124-R127 HydrophobicContact CB-CG 3.9Å; P124-R127 HydrophobicContact CG-CG 4.26Å; P124-R127 WeakPolarHBondContact O-CB 3.37Å; P124-R127 PolarHBondContact O-N 2.98Å; P124-R127 VanDerWaalsContact O-N 3.07Å; K125-R127 PolarHBondContact O-N 3.04Å; R127-Y187 HydrophobicContact CB-CD2 4Å; R127-Y187 HydrophobicContact CB-CE2 3.52Å; R127-Y187 HydrophobicContact CG-CE2 4.23Å; R127-D188 WeakPolarHBondContact CD-O 3.34Å; R127-D188 PolarHBondContact NH1-O 3.03Å; R127-D188 PolarHBondContact O-N 3.45Å; R127-H189 PolarHBondContact NH1-O 3.02Å |
| 128 | L | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 129.3 | -176.5 | -61.2 | 176.6 | 0 | 0 | 0 | 111.1 | W112 L115 T116 L123 K125 R153 I185 F186 Y187 I211 | W112-L128 HydrophobicContact CE3-CD1 4.13Å; W112-L128 HydrophobicContact CH2-CB 4.46Å; W112-L128 HydrophobicContact CH2-CD1 4.04Å; W112-L128 HydrophobicContact CZ3-CB 4.03Å; W112-L128 HydrophobicContact CZ3-CD1 3.48Å; W112-L128 VanDerWaalsContact CZ3-CD1 3.48Å; W112-L128 HydrophobicContact CZ3-CG 4.4Å; L115-L128 HydrophobicContact CB-CD1 4.35Å; L115-L128 HydrophobicContact CD1-CD1 4.42Å; T116-L128 HydrophobicContact CG2-CD1 3.57Å; L123-L128 HydrophobicContact CD1-CD2 4.29Å; K125-L128 PolarHBondContact O-N 3.3Å; L128-R153 PolarHBondContact O-NE 3Å; L128-I185 HydrophobicContact CD2-CG2 4.18Å; L128-F186 WeakPolarHBondContact CA-O 3.31Å; L128-Y187 HydrophobicContact CD2-CD2 4Å; L128-I211 HydrophobicContact CD2-CD1 4.17Å |
| 129 | W | 98.1 | Very high | 96.9 | Very high | 40 Ų | 40 | 50.9 Ų | 50.9 | 15% | 0.152 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 152.4 | 174.2 | -70.5 | 65.7 | 0 | 0 | 0 | 108.5 | E152 R153 I155 I185 F186 P197 Y208 | W129-E152 WeakPolarHBondContact CZ3-O 3.42Å; W129-R153 HydrophobicContact CD2-CB 3.83Å; W129-R153 HydrophobicContact CD2-CG 3.65Å; W129-R153 VanDerWaalsContact CE2-CD 3.43Å; W129-R153 HydrophobicContact CE3-CB 3.88Å; W129-R153 HydrophobicContact CE3-CG 3.9Å; W129-R153 HydrophobicContact CG-CB 4.17Å; W129-R153 HydrophobicContact CG-CG 4.24Å; W129-R153 HydrophobicContact CH2-CG 3.96Å; W129-R153 HydrophobicContact CZ2-CG 3.74Å; W129-R153 HydrophobicContact CZ3-CB 4.34Å; W129-R153 HydrophobicContact CZ3-CG 4.04Å; W129-I155 HydrophobicContact CE3-CD1 4.03Å; W129-I155 HydrophobicContact CZ3-CD1 4.16Å; W129-I185 WeakPolarHBondContact O-CA 3.47Å; W129-F186 HydrophobicContact CB-CB 4.18Å; W129-F186 PolarHBondContact N-O 2.93Å; W129-F186 PolarHBondContact O-N 3.04Å; W129-P197 HydrophobicContact CE3-CB 4.23Å; W129-P197 HydrophobicContact CZ3-CB 4.06Å; W129-Y208 AromaticContact CD1-CE1 3.89Å; W129-Y208 AromaticContact CD2-CE1 3.9Å; W129-Y208 HydrophobicContact CD2-CE1 3.9Å; W129-Y208 AromaticContact CE2-CE1 3.69Å; W129-Y208 HydrophobicContact CG-CD1 4.34Å; W129-Y208 HydrophobicContact CG-CE1 4.06Å; W129-Y208 HydrophobicContact CZ2-CE1 4.19Å; W129-Y208 AromaticContact NE1-CE1 3.68Å |
| 130 | V | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 146.4 | 179.1 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | W143 I149 R153 I154 I155 E184 I185 | V130-W143 HydrophobicContact CB-CD2 4.39Å; V130-W143 HydrophobicContact CG1-CD2 4.07Å; V130-W143 HydrophobicContact CG1-CE3 4.17Å; V130-W143 HydrophobicContact CG1-CH2 4.03Å; V130-W143 HydrophobicContact CG1-CZ2 3.91Å; V130-W143 HydrophobicContact CG1-CZ3 4.15Å; V130-W143 HydrophobicContact CG2-CB 4.31Å; V130-W143 HydrophobicContact CG2-CD2 4.08Å; V130-W143 HydrophobicContact CG2-CG 3.92Å; V130-I149 HydrophobicContact CB-CD1 4.45Å; V130-I149 HydrophobicContact CG1-CD1 3.58Å; V130-I149 HydrophobicContact CG2-CD1 3.98Å; V130-I149 HydrophobicContact CG2-CG2 4.45Å; V130-R153 PolarHBondContact N-O 3.43Å; V130-I154 HydrophobicContact CG2-CB 4.14Å; V130-I154 HydrophobicContact CG2-CG1 3.81Å; V130-I154 HydrophobicContact CG2-CG2 4.03Å; V130-I154 WeakPolarHBondContact O-CA 3.41Å; V130-I155 PolarHBondContact O-N 2.9Å; V130-E184 CarbonylContact C-O 3.05Å; V130-E184 WeakPolarHBondContact CA-O 3.17Å; V130-I185 HydrophobicContact CG1-CG1 4.14Å; V130-I185 HydrophobicContact CG1-CG2 4.45Å |
| 131 | T | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 149.8 | 169.6 | 63.2 | 0 | 0 | 0 | 0 | 109.9 | I155 I157 N169 T183 E184 F186 P198 | T131-I155 CarbonylContact C-O 3.56Å; T131-I155 WeakPolarHBondContact CA-O 3.25Å; T131-I155 HydrophobicContact CG2-CB 4.23Å; T131-I157 HydrophobicContact CG2-CD1 3.83Å; T131-I157 HydrophobicContact CG2-CG1 4.41Å; T131-N169 WeakPolarHBondContact CB-OD1 3.46Å; T131-N169 PolarHBondContact O-ND2 2.77Å; T131-N169 PolarHBondContact OG1-ND2 2.69Å; T131-N169 PolarHBondContact OG1-OD1 3.08Å; T131-N169 VanDerWaalsContact OG1-OD1 3.09Å; T131-T183 CarbonylContact O-C 3.56Å; T131-T183 WeakPolarHBondContact O-CA 3.4Å; T131-T183 VanDerWaalsContact O-CB 3.25Å; T131-T183 WeakPolarHBondContact O-CB 3.31Å; T131-T183 PolarHBondContact O-OG1 2.69Å; T131-E184 PolarHBondContact N-O 3.31Å; T131-E184 PolarHBondContact O-N 2.93Å; T131-E184 VanDerWaalsContact O-N 3.13Å; T131-E184 WeakPolarHBondContact OG1-CB 3.28Å; T131-E184 PolarHBondContact OG1-N 3.49Å; T131-F186 HydrophobicContact CG2-CD2 4.06Å; T131-F186 HydrophobicContact CG2-CE2 3.52Å; T131-F186 HydrophobicContact CG2-CZ 4.34Å; T131-P198 HydrophobicContact CG2-CB 3.68Å; T131-P198 HydrophobicContact CG2-CG 3.38Å |
| 132 | V | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 151.4 | 173.1 | -60 | 0 | 0 | 0 | 0 | 109.6 | E134 A139 Y140 I154 I155 R156 I157 | V132-E134 PolarHBondContact O-N 3.1Å; V132-A139 HydrophobicContact CG1-CB 4.06Å; V132-Y140 HydrophobicContact CG2-CD2 4.05Å; V132-I154 HydrophobicContact CG1-CG2 4.46Å; V132-I154 HydrophobicContact CG2-CG2 4.49Å; V132-I155 PolarHBondContact N-O 3.37Å; V132-R156 HydrophobicContact CG2-CG 3.77Å; V132-R156 WeakPolarHBondContact O-CA 3.27Å; V132-I157 PolarHBondContact O-N 2.87Å |
| 133 | Y | 97.1 | Very high | 97.3 | Very high | 20 Ų | 20 | 45.9 Ų | 45.9 | 8% | 0.078 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 138.8 | 172.4 | -168.6 | -112.1 | 0 | 0 | 0 | 110.3 | S135 D136 I157 D159 N169 F170 P181 C182 | Y133-S135 WeakPolarHBondContact CD1-OG 3.48Å; Y133-S135 VanDerWaalsContact CE1-OG 3.29Å; Y133-S135 WeakPolarHBondContact CE1-OG 3.5Å; Y133-S135 PolarHBondContact O-N 2.9Å; Y133-D136 WeakPolarHBondContact O-CB 3.46Å; Y133-D136 PolarHBondContact O-N 3.41Å; Y133-I157 WeakPolarHBondContact CA-O 3.31Å; Y133-D159 PolarHBondContact OH-OD1 3.37Å; Y133-N169 WeakPolarHBondContact CB-O 3.44Å; Y133-N169 HydrophobicContact CD2-CB 4.15Å; Y133-N169 WeakPolarHBondContact CD2-O 3.31Å; Y133-F170 HydrophobicContact CD2-CB 4.15Å; Y133-F170 HydrophobicContact CD2-CD2 4.44Å; Y133-F170 HydrophobicContact CE2-CB 3.92Å; Y133-F170 HydrophobicContact CE2-CD2 4.05Å; Y133-F170 HydrophobicContact CE2-CG 4.46Å; Y133-P181 HydrophobicContact CD1-CB 4.03Å; Y133-P181 HydrophobicContact CG-CB 3.95Å; Y133-C182 PolarHBondContact N-O 3.31Å |
| 134 | E | 95.7 | Very high | 97.4 | Very high | 123 Ų | 123 | 47.4 Ų | 47.4 | 58% | 0.575 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51 | -39.2 | -169.8 | 178.6 | 178.1 | -150.2 | 0 | 0 | 113.7 | V132 R156 I157 | V132-E134 PolarHBondContact O-N 3.1Å; E134-R156 PolarHBondContact O-NH1 3.5Å; E134-I157 PolarHBondContact N-O 3.06Å |
| 135 | S | 94.6 | Very high | 97.4 | Very high | 90 Ų | 90 | 51.3 Ų | 51.3 | 63% | 0.629 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 4.9 | -179.7 | 71.2 | 0 | 0 | 0 | 0 | 114.8 | Y133 D137 | Y133-S135 WeakPolarHBondContact CD1-OG 3.48Å; Y133-S135 VanDerWaalsContact CE1-OG 3.29Å; Y133-S135 WeakPolarHBondContact CE1-OG 3.5Å; Y133-S135 PolarHBondContact O-N 2.9Å; S135-D137 PolarHBondContact O-N 3.03Å |
| 136 | D | 96.6 | Very high | 97.5 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | trans | -91.8 | 73.7 | -179 | -165.4 | -12.5 | 0 | 0 | 0 | 111.9 | K104 Y133 E138 A139 Y140 | K104-D136 WeakPolarHBondContact CE-OD2 3.45Å; K104-D136 IonicContact NZ-OD1 3.53Å; K104-D136 PolarHBondContact NZ-OD1 3.26Å; K104-D136 IonicContact NZ-OD2 3.13Å; K104-D136 PolarHBondContact NZ-OD2 2.86Å; K104-D136 VanDerWaalsContact NZ-OD2 3.1Å; Y133-D136 WeakPolarHBondContact O-CB 3.46Å; Y133-D136 PolarHBondContact O-N 3.41Å; D136-E138 VanDerWaalsContact C-N 3.26Å; D136-E138 PolarHBondContact O-N 2.91Å; D136-E138 PolarHBondContact OD1-N 3.45Å; D136-A139 HydrophobicContact CB-CB 4.4Å; D136-A139 PolarHBondContact OD1-N 3.24Å; D136-Y140 PolarHBondContact O-N 3.25Å | ||
| 137 | D | 97.7 | Very high | 97.5 | Very high | 93 Ų | 93 | 46.3 Ų | 46.3 | 50% | 0.497 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.1 | -30.8 | 177.9 | -71.3 | -30.1 | 0 | 0 | 0 | 113 | S135 Y140 E141 R156 | S135-D137 PolarHBondContact O-N 3.03Å; D137-Y140 PolarHBondContact O-N 2.89Å; D137-E141 WeakPolarHBondContact O-CB 3.37Å; D137-E141 VanDerWaalsContact O-CG 3.28Å; D137-E141 WeakPolarHBondContact O-CG 3.4Å; D137-E141 PolarHBondContact O-N 3.42Å; D137-R156 IonicContact OD1-CZ 2.81Å; D137-R156 VanDerWaalsContact OD1-CZ 3.22Å; D137-R156 IonicContact OD1-NH1 3.12Å; D137-R156 PolarHBondContact OD1-NH1 2.97Å; D137-R156 IonicContact OD1-NH2 3.51Å; D137-R156 PolarHBondContact OD1-NH2 3.34Å |
| 138 | E | 97.9 | Very high | 97.5 | Very high | 93 Ų | 93 | 44.9 Ų | 44.9 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.2 | -50.9 | 179.1 | -176.9 | -170.8 | 179 | 0 | 0 | 111 | K104 D136 Y140 E141 I142 | K104-E138 HydrophobicContact CD-CB 4.2Å; K104-E138 HydrophobicContact CD-CG 4.04Å; K104-E138 WeakPolarHBondContact CD-OE2 3.39Å; K104-E138 WeakPolarHBondContact CE-OE2 3.44Å; K104-E138 IonicContact NZ-OE2 3.65Å; K104-E138 PolarHBondContact NZ-OE2 3.02Å; D136-E138 VanDerWaalsContact C-N 3.26Å; D136-E138 PolarHBondContact O-N 2.91Å; D136-E138 PolarHBondContact OD1-N 3.45Å; E138-Y140 VanDerWaalsContact C-N 3.33Å; E138-Y140 PolarHBondContact O-N 2.84Å; E138-E141 PolarHBondContact O-N 2.97Å; E138-I142 HydrophobicContact CG-CD1 4.08Å; E138-I142 WeakPolarHBondContact O-CD1 3.42Å; E138-I142 VanDerWaalsContact O-CG1 3.27Å; E138-I142 WeakPolarHBondContact O-CG1 3.48Å; E138-I142 PolarHBondContact O-N 3.34Å; E138-I142 VanDerWaalsContact O-N 3.09Å |
| 139 | A | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K104 I108 V132 D136 E141 I142 W143 F216 | K104-A139 HydrophobicContact CD-CB 4.21Å; I108-A139 HydrophobicContact CD1-CB 4.16Å; V132-A139 HydrophobicContact CG1-CB 4.06Å; D136-A139 HydrophobicContact CB-CB 4.4Å; D136-A139 PolarHBondContact OD1-N 3.24Å; A139-E141 PolarHBondContact O-N 3.19Å; A139-I142 PolarHBondContact O-N 2.95Å; A139-W143 PolarHBondContact O-N 3.49Å; A139-W143 VanDerWaalsContact O-N 3.1Å; A139-F216 HydrophobicContact CB-CE2 3.86Å; A139-F216 HydrophobicContact CB-CZ 4.47Å |
| 140 | Y | 98.4 | Very high | 97.4 | Very high | 36 Ų | 36 | 45.2 Ų | 45.2 | 14% | 0.141 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.5 | -47.7 | 176.7 | -176.1 | -83.8 | 0 | 0 | 0 | 111.7 | V132 D136 D137 E138 W143 E144 I154 R156 | V132-Y140 HydrophobicContact CG2-CD2 4.05Å; D136-Y140 PolarHBondContact O-N 3.25Å; D137-Y140 PolarHBondContact O-N 2.89Å; E138-Y140 VanDerWaalsContact C-N 3.33Å; E138-Y140 PolarHBondContact O-N 2.84Å; Y140-W143 PolarHBondContact O-N 3.37Å; Y140-E144 HydrophobicContact CE1-CB 4.41Å; Y140-E144 WeakPolarHBondContact CE1-OE2 3.43Å; Y140-E144 WeakPolarHBondContact O-CB 3.45Å; Y140-E144 PolarHBondContact O-N 3.3Å; Y140-I154 HydrophobicContact CD2-CB 4.32Å; Y140-I154 HydrophobicContact CD2-CG2 3.36Å; Y140-I154 HydrophobicContact CE2-CB 3.95Å; Y140-I154 HydrophobicContact CE2-CG2 3.49Å; Y140-I154 VanDerWaalsContact CE2-CG2 3.49Å; Y140-I154 HydrophobicContact CG-CG2 4.22Å; Y140-R156 VanDerWaalsContact CB-NH2 3.32Å; Y140-R156 HydrophobicContact CD2-CG 4.23Å; Y140-R156 VanDerWaalsContact CD2-NE 3.28Å |
| 141 | E | 98.2 | Very high | 97.2 | Very high | 91 Ų | 91 | 52.9 Ų | 52.9 | 43% | 0.425 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.1 | -36.9 | -178.3 | -73.9 | -164 | 160.8 | 0 | 0 | 112.9 | D137 E138 A139 E144 K145 | D137-E141 WeakPolarHBondContact O-CB 3.37Å; D137-E141 VanDerWaalsContact O-CG 3.28Å; D137-E141 WeakPolarHBondContact O-CG 3.4Å; D137-E141 PolarHBondContact O-N 3.42Å; E138-E141 PolarHBondContact O-N 2.97Å; A139-E141 PolarHBondContact O-N 3.19Å; E141-E144 PolarHBondContact O-N 2.9Å; E141-K145 HydrophobicContact CB-CD 4.36Å; E141-K145 VanDerWaalsContact O-CB 3.27Å; E141-K145 WeakPolarHBondContact O-CB 3.37Å; E141-K145 WeakPolarHBondContact O-CG 3.46Å; E141-K145 PolarHBondContact O-N 3.04Å; E141-K145 IonicContact OE1-NZ 2.87Å; E141-K145 PolarHBondContact OE1-NZ 3.04Å; E141-K145 IonicContact OE2-NZ 3.74Å; E141-K145 PolarHBondContact OE2-NZ 3Å |
| 142 | I | 98.3 | Very high | 97.1 | Very high | 8 Ų | 8 | 59.3 Ų | 59.3 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -62.7 | -47.7 | 175.1 | -64.3 | 157.4 | 0 | 0 | 0 | 109.9 | K104 H105 I108 E138 A139 E144 E146 V147 | K104-I142 HydrophobicContact CB-CD1 3.84Å; H105-I142 HydrophobicContact CB-CD1 4.19Å; I108-I142 HydrophobicContact CB-CG2 3.93Å; I108-I142 HydrophobicContact CD1-CB 3.98Å; I108-I142 HydrophobicContact CD1-CD1 4.05Å; I108-I142 HydrophobicContact CD1-CG2 3.92Å; I108-I142 HydrophobicContact CG2-CG2 3.64Å; E138-I142 HydrophobicContact CG-CD1 4.08Å; E138-I142 WeakPolarHBondContact O-CD1 3.42Å; E138-I142 VanDerWaalsContact O-CG1 3.27Å; E138-I142 WeakPolarHBondContact O-CG1 3.48Å; E138-I142 PolarHBondContact O-N 3.34Å; E138-I142 VanDerWaalsContact O-N 3.09Å; A139-I142 PolarHBondContact O-N 2.95Å; I142-E144 PolarHBondContact O-N 2.9Å; I142-E146 WeakPolarHBondContact O-CB 3.48Å; I142-E146 PolarHBondContact O-N 3.17Å; I142-E146 VanDerWaalsContact O-N 3.12Å; I142-V147 PolarHBondContact O-N 3.46Å |
| 143 | W | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -61.2 | -43.1 | 177.7 | -77.2 | 125.3 | 0 | 0 | 0 | 112.9 | I108 W112 V130 A139 Y140 V147 G148 I149 I154 T183 I185 I214 | I108-W143 HydrophobicContact CB-CZ2 4.36Å; I108-W143 HydrophobicContact CG1-CZ2 4.07Å; I108-W143 HydrophobicContact CG2-CD2 3.69Å; I108-W143 HydrophobicContact CG2-CE3 3.71Å; I108-W143 HydrophobicContact CG2-CG 4.45Å; I108-W143 HydrophobicContact CG2-CH2 3.74Å; I108-W143 HydrophobicContact CG2-CZ2 3.73Å; I108-W143 HydrophobicContact CG2-CZ3 3.73Å; W112-W143 HydrophobicContact CB-CZ3 4.4Å; W112-W143 HydrophobicContact CD2-CZ3 4.44Å; W112-W143 AromaticContact CE3-CZ3 3.85Å; W112-W143 HydrophobicContact CE3-CZ3 3.85Å; W112-W143 HydrophobicContact CZ3-CZ3 4.49Å; V130-W143 HydrophobicContact CB-CD2 4.39Å; V130-W143 HydrophobicContact CG1-CD2 4.07Å; V130-W143 HydrophobicContact CG1-CE3 4.17Å; V130-W143 HydrophobicContact CG1-CH2 4.03Å; V130-W143 HydrophobicContact CG1-CZ2 3.91Å; V130-W143 HydrophobicContact CG1-CZ3 4.15Å; V130-W143 HydrophobicContact CG2-CB 4.31Å; V130-W143 HydrophobicContact CG2-CD2 4.08Å; V130-W143 HydrophobicContact CG2-CG 3.92Å; A139-W143 PolarHBondContact O-N 3.49Å; A139-W143 VanDerWaalsContact O-N 3.1Å; Y140-W143 PolarHBondContact O-N 3.37Å; W143-V147 HydrophobicContact CE3-CB 3.87Å; W143-V147 HydrophobicContact CE3-CG1 3.78Å; W143-V147 HydrophobicContact CE3-CG2 3.74Å; W143-V147 HydrophobicContact CZ3-CB 4.36Å; W143-V147 HydrophobicContact CZ3-CG1 3.9Å; W143-V147 HydrophobicContact CZ3-CG2 4.05Å; W143-V147 WeakPolarHBondContact O-CB 3.49Å; W143-G148 PolarHBondContact O-N 3.48Å; W143-G148 VanDerWaalsContact O-N 3.09Å; W143-I149 HydrophobicContact CD2-CD1 4.16Å; W143-I149 HydrophobicContact CE3-CD1 3.37Å; W143-I149 HydrophobicContact CE3-CG1 4.09Å; W143-I149 HydrophobicContact CZ3-CD1 3.72Å; W143-I149 PolarHBondContact O-N 3.5Å; W143-I154 HydrophobicContact CB-CD1 3.87Å; W143-I154 HydrophobicContact CB-CG1 4.4Å; W143-T183 HydrophobicContact CZ2-CG2 4.33Å; W143-T183 PolarHBondContact NE1-OG1 2.85Å; W143-I185 HydrophobicContact CH2-CD1 3.76Å; W143-I185 HydrophobicContact CH2-CG1 4.1Å; W143-I185 HydrophobicContact CZ2-CD1 4.1Å; W143-I185 HydrophobicContact CZ2-CG1 4.09Å; W143-I214 HydrophobicContact CZ2-CD1 4.47Å |
| 144 | E | 98 | Very high | 97.1 | Very high | 42 Ų | 42 | 61 Ų | 61 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -73.4 | -54.5 | -178.3 | -173.4 | -168 | -178.5 | 0 | 0 | 112.1 | Y140 E141 I142 G148 R151 I154 | Y140-E144 HydrophobicContact CE1-CB 4.41Å; Y140-E144 WeakPolarHBondContact CE1-OE2 3.43Å; Y140-E144 WeakPolarHBondContact O-CB 3.45Å; Y140-E144 PolarHBondContact O-N 3.3Å; E141-E144 PolarHBondContact O-N 2.9Å; I142-E144 PolarHBondContact O-N 2.9Å; E144-G148 WeakPolarHBondContact O-CA 3.44Å; E144-G148 PolarHBondContact O-N 3.26Å; E144-R151 HydrophobicContact CG-CG 4.34Å; E144-R151 IonicContact OE1-CZ 3.41Å; E144-R151 IonicContact OE1-NE 3.59Å; E144-R151 PolarHBondContact OE1-NE 2.89Å; E144-R151 IonicContact OE1-NH2 3.07Å; E144-R151 PolarHBondContact OE1-NH2 3.44Å; E144-R151 IonicContact OE2-NH2 3.06Å; E144-I154 HydrophobicContact CB-CD1 3.82Å |
| 145 | K | 97.5 | Very high | 97.2 | Very high | 132 Ų | 132 | 56.8 Ų | 56.8 | 57% | 0.574 | 29% | 0.287 | S | S | * | . | I | π-helix | trans | -89.1 | -34.3 | -164.6 | -59.4 | 177.3 | -171.3 | 166.1 | 0 | 112.9 | E141 | E141-K145 HydrophobicContact CB-CD 4.36Å; E141-K145 VanDerWaalsContact O-CB 3.27Å; E141-K145 WeakPolarHBondContact O-CB 3.37Å; E141-K145 WeakPolarHBondContact O-CG 3.46Å; E141-K145 PolarHBondContact O-N 3.04Å; E141-K145 IonicContact OE1-NZ 2.87Å; E141-K145 PolarHBondContact OE1-NZ 3.04Å; E141-K145 IonicContact OE2-NZ 3.74Å; E141-K145 PolarHBondContact OE2-NZ 3Å |
| 146 | E | 97.2 | Very high | 97.3 | Very high | 96 Ų | 96 | 56.8 Ų | 56.8 | 45% | 0.449 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -102.3 | -46.1 | -173.5 | -57.9 | 179.4 | -159 | 0 | 0 | 112.2 | H105 Q109 I142 | H105-E146 IonicContact CD2-OE1 3.57Å; H105-E146 IonicContact CD2-OE2 3.01Å; H105-E146 PolarHBondContact CD2-OE2 3.33Å; H105-E146 IonicContact NE2-OE2 3.05Å; H105-E146 PolarHBondContact NE2-OE2 2.98Å; Q109-E146 PolarHBondContact NE2-OE2 3.25Å; I142-E146 WeakPolarHBondContact O-CB 3.48Å; I142-E146 PolarHBondContact O-N 3.17Å; I142-E146 VanDerWaalsContact O-N 3.12Å |
| 147 | V | 97.2 | Very high | 97.2 | Very high | 20 Ų | 20 | 56.9 Ų | 56.9 | 12% | 0.121 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -75.9 | -36.9 | 175.9 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | I108 W112 I142 W143 I149 | I108-V147 HydrophobicContact CG2-CG2 3.67Å; W112-V147 HydrophobicContact CB-CG1 4.27Å; W112-V147 HydrophobicContact CD2-CG1 3.33Å; W112-V147 HydrophobicContact CE3-CG1 3.85Å; W112-V147 HydrophobicContact CG-CG1 3.53Å; W112-V147 HydrophobicContact CH2-CG1 4.31Å; W112-V147 HydrophobicContact CZ2-CG1 3.86Å; W112-V147 HydrophobicContact CZ3-CG1 4.3Å; I142-V147 PolarHBondContact O-N 3.46Å; W143-V147 HydrophobicContact CE3-CB 3.87Å; W143-V147 HydrophobicContact CE3-CG1 3.78Å; W143-V147 HydrophobicContact CE3-CG2 3.74Å; W143-V147 HydrophobicContact CZ3-CB 4.36Å; W143-V147 HydrophobicContact CZ3-CG1 3.9Å; W143-V147 HydrophobicContact CZ3-CG2 4.05Å; W143-V147 WeakPolarHBondContact O-CB 3.49Å; V147-I149 HydrophobicContact CG1-CD1 4.32Å; V147-I149 HydrophobicContact CG1-CG1 3.86Å |
| 148 | G | 96.3 | Very high | 96.9 | Very high | 52 Ų | 52 | 53.1 Ų | 53.1 | 54% | 0.536 | 26% | 0.256 | S | S | . | . | trans | 85.2 | 28.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | W143 E144 | W143-G148 PolarHBondContact O-N 3.48Å; W143-G148 VanDerWaalsContact O-N 3.09Å; E144-G148 WeakPolarHBondContact O-CA 3.44Å; E144-G148 PolarHBondContact O-N 3.26Å | ||
| 149 | I | 96.8 | Very high | 96.6 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | trans | -71.3 | 131 | 171.5 | -60.5 | -170.8 | 0 | 0 | 0 | 108.6 | W112 V130 W143 V147 R153 I154 | W112-I149 HydrophobicContact CE3-CD1 4.35Å; W112-I149 HydrophobicContact CH2-CD1 4.14Å; W112-I149 HydrophobicContact CH2-CG1 4.05Å; W112-I149 HydrophobicContact CZ3-CD1 3.75Å; W112-I149 HydrophobicContact CZ3-CG1 4.16Å; V130-I149 HydrophobicContact CB-CD1 4.45Å; V130-I149 HydrophobicContact CG1-CD1 3.58Å; V130-I149 HydrophobicContact CG2-CD1 3.98Å; V130-I149 HydrophobicContact CG2-CG2 4.45Å; W143-I149 HydrophobicContact CD2-CD1 4.16Å; W143-I149 HydrophobicContact CE3-CD1 3.37Å; W143-I149 HydrophobicContact CE3-CG1 4.09Å; W143-I149 HydrophobicContact CZ3-CD1 3.72Å; W143-I149 PolarHBondContact O-N 3.5Å; V147-I149 HydrophobicContact CG1-CD1 4.32Å; V147-I149 HydrophobicContact CG1-CG1 3.86Å; I149-R153 HydrophobicContact CG2-CB 3.85Å; I149-I154 HydrophobicContact CB-CD1 4.15Å; I149-I154 HydrophobicContact CB-CG1 4.07Å; I149-I154 HydrophobicContact CG2-CD1 4.31Å; I149-I154 HydrophobicContact CG2-CG1 3.72Å; I149-I154 WeakPolarHBondContact O-CD1 3.44Å | ||
| 150 | P | 96.3 | Very high | 96.2 | Very high | 41 Ų | 41 | 55.6 Ų | 55.6 | 27% | 0.266 | 27% | 0.273 | S | S | . | . | trans | -58.7 | 142.6 | 175.1 | -23.7 | 34.1 | 0 | 0 | 0 | 112.2 | E152 R153 | P150-E152 HydrophobicContact CB-CG 4.33Å; P150-E152 WeakPolarHBondContact CB-OE1 3.4Å; P150-E152 VanDerWaalsContact CB-OE2 3.24Å; P150-E152 WeakPolarHBondContact CB-OE2 3.39Å; P150-E152 PolarHBondContact O-N 3.22Å; P150-E152 VanDerWaalsContact O-N 3.15Å; P150-R153 PolarHBondContact O-N 3.02Å | ||
| 151 | R | 95.9 | Very high | 95.6 | Very high | 161 Ų | 161 | 59.9 Ų | 59.9 | 61% | 0.608 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -53.7 | -38.1 | -175.8 | -70.2 | -176 | 178.3 | -164.9 | -10.1 | 113.2 | E144 R153 I154 | E144-R151 HydrophobicContact CG-CG 4.34Å; E144-R151 IonicContact OE1-CZ 3.41Å; E144-R151 IonicContact OE1-NE 3.59Å; E144-R151 PolarHBondContact OE1-NE 2.89Å; E144-R151 IonicContact OE1-NH2 3.07Å; E144-R151 PolarHBondContact OE1-NH2 3.44Å; E144-R151 IonicContact OE2-NH2 3.06Å; R151-R153 PolarHBondContact O-N 3.29Å; R151-R153 VanDerWaalsContact O-N 3.15Å; R151-I154 PolarHBondContact O-N 3.31Å; R151-I154 VanDerWaalsContact O-N 3.09Å |
| 152 | E | 95.4 | Very high | 95 | Very high | 136 Ų | 136 | 59.5 Ų | 59.5 | 64% | 0.636 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -64.1 | -15.8 | 179.5 | 66.2 | -86.1 | -160.6 | 0 | 0 | 113.7 | W129 P150 | W129-E152 WeakPolarHBondContact CZ3-O 3.42Å; P150-E152 HydrophobicContact CB-CG 4.33Å; P150-E152 WeakPolarHBondContact CB-OE1 3.4Å; P150-E152 VanDerWaalsContact CB-OE2 3.24Å; P150-E152 WeakPolarHBondContact CB-OE2 3.39Å; P150-E152 PolarHBondContact O-N 3.22Å; P150-E152 VanDerWaalsContact O-N 3.15Å |
| 153 | R | 97 | Very high | 94.5 | Very high | 44 Ų | 44 | 61.5 Ų | 61.5 | 17% | 0.166 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -106.5 | 7.8 | 176 | -59.1 | -159.8 | -65.6 | -130.7 | -5.4 | 114.1 | E126 L128 W129 V130 I149 P150 R151 | E126-R153 VanDerWaalsContact CA-NH1 3.32Å; E126-R153 PolarHBondContact O-NH1 3.44Å; L128-R153 PolarHBondContact O-NE 3Å; W129-R153 HydrophobicContact CD2-CB 3.83Å; W129-R153 HydrophobicContact CD2-CG 3.65Å; W129-R153 VanDerWaalsContact CE2-CD 3.43Å; W129-R153 HydrophobicContact CE3-CB 3.88Å; W129-R153 HydrophobicContact CE3-CG 3.9Å; W129-R153 HydrophobicContact CG-CB 4.17Å; W129-R153 HydrophobicContact CG-CG 4.24Å; W129-R153 HydrophobicContact CH2-CG 3.96Å; W129-R153 HydrophobicContact CZ2-CG 3.74Å; W129-R153 HydrophobicContact CZ3-CB 4.34Å; W129-R153 HydrophobicContact CZ3-CG 4.04Å; V130-R153 PolarHBondContact N-O 3.43Å; I149-R153 HydrophobicContact CG2-CB 3.85Å; P150-R153 PolarHBondContact O-N 3.02Å; R151-R153 PolarHBondContact O-N 3.29Å; R151-R153 VanDerWaalsContact O-N 3.15Å |
| 154 | I | 97.8 | Very high | 93.9 | Very high | 10 Ų | 10 | 66 Ų | 66 | 5% | 0.051 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 98.6 | 173.9 | -52 | 174.4 | 0 | 0 | 0 | 107.7 | V130 V132 Y140 W143 E144 I149 R151 | V130-I154 HydrophobicContact CG2-CB 4.14Å; V130-I154 HydrophobicContact CG2-CG1 3.81Å; V130-I154 HydrophobicContact CG2-CG2 4.03Å; V130-I154 WeakPolarHBondContact O-CA 3.41Å; V132-I154 HydrophobicContact CG1-CG2 4.46Å; V132-I154 HydrophobicContact CG2-CG2 4.49Å; Y140-I154 HydrophobicContact CD2-CB 4.32Å; Y140-I154 HydrophobicContact CD2-CG2 3.36Å; Y140-I154 HydrophobicContact CE2-CB 3.95Å; Y140-I154 HydrophobicContact CE2-CG2 3.49Å; Y140-I154 VanDerWaalsContact CE2-CG2 3.49Å; Y140-I154 HydrophobicContact CG-CG2 4.22Å; W143-I154 HydrophobicContact CB-CD1 3.87Å; W143-I154 HydrophobicContact CB-CG1 4.4Å; E144-I154 HydrophobicContact CB-CD1 3.82Å; I149-I154 HydrophobicContact CB-CD1 4.15Å; I149-I154 HydrophobicContact CB-CG1 4.07Å; I149-I154 HydrophobicContact CG2-CD1 4.31Å; I149-I154 HydrophobicContact CG2-CG1 3.72Å; I149-I154 WeakPolarHBondContact O-CD1 3.44Å; R151-I154 PolarHBondContact O-N 3.31Å; R151-I154 VanDerWaalsContact O-N 3.09Å |
| 155 | I | 97.4 | Very high | 93.5 | Very high | 36 Ų | 36 | 68.3 Ų | 68.3 | 19% | 0.185 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 135.3 | -173.5 | -59.7 | 179.2 | 0 | 0 | 0 | 110 | W129 V130 T131 V132 I157 P197 P198 | W129-I155 HydrophobicContact CE3-CD1 4.03Å; W129-I155 HydrophobicContact CZ3-CD1 4.16Å; V130-I155 PolarHBondContact O-N 2.9Å; T131-I155 CarbonylContact C-O 3.56Å; T131-I155 WeakPolarHBondContact CA-O 3.25Å; T131-I155 HydrophobicContact CG2-CB 4.23Å; V132-I155 PolarHBondContact N-O 3.37Å; I155-I157 HydrophobicContact CG2-CG1 4.25Å; I155-P197 HydrophobicContact CD1-CB 3.89Å; I155-P198 HydrophobicContact CD1-CG 4.05Å; I155-P198 VanDerWaalsContact CD1-O 3.3Å; I155-P198 WeakPolarHBondContact CD1-O 3.42Å |
| 156 | R | 97.1 | Very high | 93.1 | Very high | 90 Ų | 90 | 62.8 Ų | 62.8 | 34% | 0.34 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 126.2 | 175.6 | -71.2 | -175.1 | 176.4 | -116.1 | 7.4 | 110 | V132 E134 D137 Y140 | V132-R156 HydrophobicContact CG2-CG 3.77Å; V132-R156 WeakPolarHBondContact O-CA 3.27Å; E134-R156 PolarHBondContact O-NH1 3.5Å; D137-R156 IonicContact OD1-CZ 2.81Å; D137-R156 VanDerWaalsContact OD1-CZ 3.22Å; D137-R156 IonicContact OD1-NH1 3.12Å; D137-R156 PolarHBondContact OD1-NH1 2.97Å; D137-R156 IonicContact OD1-NH2 3.51Å; D137-R156 PolarHBondContact OD1-NH2 3.34Å; Y140-R156 VanDerWaalsContact CB-NH2 3.32Å; Y140-R156 HydrophobicContact CD2-CG 4.23Å; Y140-R156 VanDerWaalsContact CD2-NE 3.28Å |
| 157 | I | 94.8 | Very high | 92.9 | Very high | 9 Ų | 9 | 58.5 Ų | 58.5 | 5% | 0.046 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 120.2 | 177 | -50.8 | -172.3 | 0 | 0 | 0 | 109 | T131 V132 Y133 E134 I155 S167 D168 N169 P198 | T131-I157 HydrophobicContact CG2-CD1 3.83Å; T131-I157 HydrophobicContact CG2-CG1 4.41Å; V132-I157 PolarHBondContact O-N 2.87Å; Y133-I157 WeakPolarHBondContact CA-O 3.31Å; E134-I157 PolarHBondContact N-O 3.06Å; I155-I157 HydrophobicContact CG2-CG1 4.25Å; I157-S167 PolarHBondContact O-OG 3.22Å; I157-D168 HydrophobicContact CG2-CB 4.48Å; I157-N169 HydrophobicContact CB-CB 4.33Å; I157-N169 VanDerWaalsContact CB-OD1 3.26Å; I157-N169 WeakPolarHBondContact CB-OD1 3.38Å; I157-N169 VanDerWaalsContact CD1-OD1 3.32Å; I157-N169 WeakPolarHBondContact CD1-OD1 3.26Å; I157-N169 VanDerWaalsContact CG1-OD1 3.31Å; I157-N169 WeakPolarHBondContact CG1-OD1 3.46Å; I157-P198 HydrophobicContact CD1-CB 4.43Å |
| 158 | G | 92.3 | Very high | 92.6 | Very high | 14 Ų | 14 | 59.8 Ų | 59.8 | 14% | 0.144 | 33% | 0.333 | C | S | . | . | trans | -90.9 | -162 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N160 S167 | G158-N160 PolarHBondContact O-N 2.85Å; G158-S167 WeakPolarHBondContact O-CB 3.4Å; G158-S167 PolarHBondContact O-OG 2.96Å | ||
| 159 | D | 91.5 | Very high | 92.6 | Very high | 69 Ų | 69 | 57.3 Ų | 57.3 | 37% | 0.369 | 31% | 0.307 | S | S | . | . | trans | -69.7 | 88.3 | 175.5 | -71.8 | -37.4 | 0 | 0 | 0 | 111.5 | Y133 P164 Y165 A166 | Y133-D159 PolarHBondContact OH-OD1 3.37Å; D159-P164 WeakPolarHBondContact OD2-CA 3.47Å; D159-Y165 VanDerWaalsContact CG-N 3.26Å; D159-Y165 WeakPolarHBondContact OD1-CA 3.46Å; D159-Y165 PolarHBondContact OD1-N 3.07Å; D159-Y165 PolarHBondContact OD2-N 3.4Å; D159-A166 CarbonylContact C-O 3.53Å; D159-A166 WeakPolarHBondContact CA-O 3.48Å; D159-A166 PolarHBondContact OD1-N 2.87Å; D159-A166 VanDerWaalsContact OD1-N 3.09Å | ||
| 160 | N | 88.6 | Confident | 92.5 | Very high | 76 Ų | 76 | 57.5 Ų | 57.5 | 41% | 0.406 | 31% | 0.308 | S | S | . | . | trans | -96.8 | 0.7 | -175.6 | 66.7 | -16.2 | 0 | 0 | 0 | 114.4 | G158 A166 S167 D168 | G158-N160 PolarHBondContact O-N 2.85Å; N160-A166 PolarHBondContact N-O 2.99Å; N160-A166 VanDerWaalsContact N-O 3.13Å; N160-S167 WeakPolarHBondContact OD1-CA 3.47Å; N160-D168 PolarHBondContact ND2-OD2 3.03Å; N160-D168 PolarHBondContact OD1-N 3.19Å | ||
| 161 | K | 85.2 | Confident | 92.3 | Very high | 126 Ų | 126 | 58 Ų | 58 | 55% | 0.548 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -111.6 | 23.7 | -179.2 | -60.8 | 175.1 | -175.6 | 171.6 | 0 | 113.9 | A163 A166 D168 | K161-A163 PolarHBondContact O-N 2.93Å; K161-A166 HydrophobicContact CB-CB 3.78Å; K161-A166 WeakPolarHBondContact CB-O 3.34Å; K161-A166 PolarHBondContact N-O 2.82Å; K161-D168 WeakPolarHBondContact CE-OD1 3.4Å; K161-D168 IonicContact NZ-OD1 3.34Å; K161-D168 PolarHBondContact NZ-OD1 3.08Å |
| 162 | G | 86.4 | Confident | 91.9 | Very high | 82 Ų | 82 | 52 Ų | 52 | 85% | 0.845 | 28% | 0.283 | S | S | * | . | S | Bend | trans | 82.3 | 5.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 163 | A | 86.8 | Confident | 90.8 | Very high | 50 Ų | 50 | 45.6 Ų | 45.6 | 41% | 0.413 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -145.2 | 156.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | K161 Y165 A166 | K161-A163 PolarHBondContact O-N 2.93Å; A163-Y165 PolarHBondContact O-N 3.34Å; A163-A166 HydrophobicContact CB-CB 4.03Å; A163-A166 WeakPolarHBondContact O-CB 3.19Å; A163-A166 PolarHBondContact O-N 3.48Å; A163-A166 VanDerWaalsContact O-N 3.08Å |
| 164 | P | 87.1 | Confident | 89.7 | Confident | 95 Ų | 95 | 44.2 Ų | 44.2 | 62% | 0.617 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 137.5 | 172.5 | -24.9 | 34.8 | 0 | 0 | 0 | 111.9 | D159 A166 | D159-P164 WeakPolarHBondContact OD2-CA 3.47Å; P164-A166 PolarHBondContact O-N 3.35Å |
| 165 | Y | 89.3 | Confident | 88.7 | Confident | 91 Ų | 91 | 49.9 Ų | 49.9 | 36% | 0.357 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 26.5 | -175.5 | -44.3 | -67.2 | 0 | 0 | 0 | 113.7 | D159 A163 F170 R221 M227 | D159-Y165 VanDerWaalsContact CG-N 3.26Å; D159-Y165 WeakPolarHBondContact OD1-CA 3.46Å; D159-Y165 PolarHBondContact OD1-N 3.07Å; D159-Y165 PolarHBondContact OD2-N 3.4Å; A163-Y165 PolarHBondContact O-N 3.34Å; Y165-F170 AromaticContact CD1-CD2 3.87Å; Y165-F170 HydrophobicContact CD1-CD2 3.87Å; Y165-F170 HydrophobicContact CD1-CE1 4.44Å; Y165-F170 AromaticContact CD1-CE2 3.4Å; Y165-F170 HydrophobicContact CD1-CE2 3.4Å; Y165-F170 VanDerWaalsContact CD1-CE2 3.4Å; Y165-F170 AromaticContact CD1-CZ 3.73Å; Y165-F170 HydrophobicContact CD1-CZ 3.73Å; Y165-F170 HydrophobicContact CE1-CE2 4.14Å; Y165-F170 HydrophobicContact CG-CE1 4.37Å; Y165-F170 HydrophobicContact CG-CE2 4.12Å; Y165-F170 HydrophobicContact CG-CZ 4.04Å; Y165-R221 PolarHBondContact O-NH2 3.34Å; Y165-M227 HydrophobicContact CD2-CE 3.57Å; Y165-M227 HydrophobicContact CD2-CG 4.42Å; Y165-M227 HydrophobicContact CE2-CE 4.16Å; Y165-M227 HydrophobicContact CE2-CG 4.11Å; Y165-M227 HydrophobicContact CG-CE 3.79Å |
| 166 | A | 89.4 | Confident | 87.9 | Confident | 16 Ų | 16 | 50 Ų | 50 | 13% | 0.132 | 29% | 0.286 | C | S | . | . | trans | -113.2 | 80.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | D159 N160 K161 A163 P164 | D159-A166 CarbonylContact C-O 3.53Å; D159-A166 WeakPolarHBondContact CA-O 3.48Å; D159-A166 PolarHBondContact OD1-N 2.87Å; D159-A166 VanDerWaalsContact OD1-N 3.09Å; N160-A166 PolarHBondContact N-O 2.99Å; N160-A166 VanDerWaalsContact N-O 3.13Å; K161-A166 HydrophobicContact CB-CB 3.78Å; K161-A166 WeakPolarHBondContact CB-O 3.34Å; K161-A166 PolarHBondContact N-O 2.82Å; A163-A166 HydrophobicContact CB-CB 4.03Å; A163-A166 WeakPolarHBondContact O-CB 3.19Å; A163-A166 PolarHBondContact O-N 3.48Å; A163-A166 VanDerWaalsContact O-N 3.08Å; P164-A166 PolarHBondContact O-N 3.35Å | ||
| 167 | S | 92.7 | Very high | 87.4 | Confident | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -133.1 | 155.8 | -176.3 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | I157 G158 N160 N169 F170 | I157-S167 PolarHBondContact O-OG 3.22Å; G158-S167 WeakPolarHBondContact O-CB 3.4Å; G158-S167 PolarHBondContact O-OG 2.96Å; N160-S167 WeakPolarHBondContact OD1-CA 3.47Å; S167-N169 PolarHBondContact OG-N 3.41Å; S167-N169 VanDerWaalsContact OG-N 3.08Å; S167-F170 PolarHBondContact O-N 3.27Å |
| 168 | D | 90.8 | Very high | 87.3 | Confident | 47 Ų | 47 | 45.6 Ų | 45.6 | 25% | 0.251 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -32.9 | 163.8 | -64.7 | -52.8 | 0 | 0 | 0 | 111.6 | I157 N160 K161 F170 | I157-D168 HydrophobicContact CG2-CB 4.48Å; N160-D168 PolarHBondContact ND2-OD2 3.03Å; N160-D168 PolarHBondContact OD1-N 3.19Å; K161-D168 WeakPolarHBondContact CE-OD1 3.4Å; K161-D168 IonicContact NZ-OD1 3.34Å; K161-D168 PolarHBondContact NZ-OD1 3.08Å; D168-F170 VanDerWaalsContact C-N 3.3Å; D168-F170 PolarHBondContact O-N 3.02Å |
| 169 | N | 95.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 22.2 | 175.4 | -78.4 | 107.2 | 0 | 0 | 0 | 114.1 | T131 Y133 I157 S167 P181 C182 | T131-N169 WeakPolarHBondContact CB-OD1 3.46Å; T131-N169 PolarHBondContact O-ND2 2.77Å; T131-N169 PolarHBondContact OG1-ND2 2.69Å; T131-N169 PolarHBondContact OG1-OD1 3.08Å; T131-N169 VanDerWaalsContact OG1-OD1 3.09Å; Y133-N169 WeakPolarHBondContact CB-O 3.44Å; Y133-N169 HydrophobicContact CD2-CB 4.15Å; Y133-N169 WeakPolarHBondContact CD2-O 3.31Å; I157-N169 HydrophobicContact CB-CB 4.33Å; I157-N169 VanDerWaalsContact CB-OD1 3.26Å; I157-N169 WeakPolarHBondContact CB-OD1 3.38Å; I157-N169 VanDerWaalsContact CD1-OD1 3.32Å; I157-N169 WeakPolarHBondContact CD1-OD1 3.26Å; I157-N169 VanDerWaalsContact CG1-OD1 3.31Å; I157-N169 WeakPolarHBondContact CG1-OD1 3.46Å; S167-N169 PolarHBondContact OG-N 3.41Å; S167-N169 VanDerWaalsContact OG-N 3.08Å; N169-P181 CarbonylContact O-C 3.58Å; N169-P181 WeakPolarHBondContact O-CA 3.34Å; N169-C182 WeakPolarHBondContact CA-SG 3.18Å; N169-C182 PolarHBondContact ND2-O 2.91Å; N169-C182 PolarHBondContact O-N 3.45Å |
| 170 | F | 95.1 | Very high | 87.5 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 4% | 0.035 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 104.7 | 170 | -162.8 | -77.1 | 0 | 0 | 0 | 110.1 | Y133 Y165 S167 D168 C179 P181 F219 M227 | Y133-F170 HydrophobicContact CD2-CB 4.15Å; Y133-F170 HydrophobicContact CD2-CD2 4.44Å; Y133-F170 HydrophobicContact CE2-CB 3.92Å; Y133-F170 HydrophobicContact CE2-CD2 4.05Å; Y133-F170 HydrophobicContact CE2-CG 4.46Å; Y165-F170 AromaticContact CD1-CD2 3.87Å; Y165-F170 HydrophobicContact CD1-CD2 3.87Å; Y165-F170 HydrophobicContact CD1-CE1 4.44Å; Y165-F170 AromaticContact CD1-CE2 3.4Å; Y165-F170 HydrophobicContact CD1-CE2 3.4Å; Y165-F170 VanDerWaalsContact CD1-CE2 3.4Å; Y165-F170 AromaticContact CD1-CZ 3.73Å; Y165-F170 HydrophobicContact CD1-CZ 3.73Å; Y165-F170 HydrophobicContact CE1-CE2 4.14Å; Y165-F170 HydrophobicContact CG-CE1 4.37Å; Y165-F170 HydrophobicContact CG-CE2 4.12Å; Y165-F170 HydrophobicContact CG-CZ 4.04Å; S167-F170 PolarHBondContact O-N 3.27Å; D168-F170 VanDerWaalsContact C-N 3.3Å; D168-F170 PolarHBondContact O-N 3.02Å; F170-C179 HydrophobicContact CE1-CB 4.03Å; F170-P181 HydrophobicContact CD2-CB 4.41Å; F170-F219 HydrophobicContact CZ-CD2 4.22Å; F170-M227 HydrophobicContact CE1-CE 4.13Å; F170-M227 HydrophobicContact CZ-CE 4.1Å |
| 171 | W | 93 | Very high | 87.9 | Confident | 51 Ų | 51 | 38.5 Ų | 38.5 | 19% | 0.193 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 137.1 | -174.3 | -170.5 | 94.6 | 0 | 0 | 0 | 111.8 | A42 M44 M173 C179 G180 C182 V215 | A42-W171 HydrophobicContact CB-CZ2 4.01Å; M44-W171 HydrophobicContact CE-CH2 4.23Å; M44-W171 HydrophobicContact CE-CZ3 4.06Å; M44-W171 HydrophobicContact CG-CH2 3.41Å; M44-W171 VanDerWaalsContact CG-CH2 3.41Å; M44-W171 HydrophobicContact CG-CZ2 4.19Å; M44-W171 HydrophobicContact CG-CZ3 4.03Å; M44-W171 HydrophobicContact SD-CH2 3.72Å; M44-W171 HydrophobicContact SD-CZ3 4.17Å; W171-M173 HydrophobicContact CH2-CB 3.48Å; W171-M173 VanDerWaalsContact CH2-CB 3.48Å; W171-M173 HydrophobicContact CH2-CG 3.99Å; W171-M173 HydrophobicContact CZ2-CB 4.3Å; W171-M173 HydrophobicContact CZ3-CB 3.86Å; W171-C179 WeakPolarHBondContact O-CA 3.41Å; W171-C179 WeakPolarHBondContact O-CB 3.37Å; W171-G180 PolarHBondContact N-O 3.29Å; W171-G180 PolarHBondContact O-N 3.38Å; W171-G180 VanDerWaalsContact O-N 3.14Å; W171-C182 HydrophobicContact CB-CB 4.48Å; W171-V215 HydrophobicContact CB-CB 4.29Å; W171-V215 HydrophobicContact CB-CG1 3.78Å; W171-V215 HydrophobicContact CB-CG2 3.48Å; W171-V215 VanDerWaalsContact CB-CG2 3.48Å; W171-V215 HydrophobicContact CD2-CG2 4.05Å; W171-V215 HydrophobicContact CE3-CG1 4.22Å; W171-V215 HydrophobicContact CE3-CG2 4.48Å; W171-V215 HydrophobicContact CG-CG1 4.37Å; W171-V215 HydrophobicContact CG-CG2 3.6Å |
| 172 | Q | 86 | Confident | 88.5 | Confident | 35 Ų | 35 | 32.5 Ų | 32.5 | 16% | 0.164 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 135.9 | 175.2 | 56.3 | -175.9 | -21.7 | 0 | 0 | 109.1 | C179 R221 | Q172-C179 HydrophobicContact CB-CB 3.99Å; Q172-R221 VanDerWaalsContact OE1-NH2 3.07Å |
| 173 | M | 72.7 | Confident | 89.1 | Confident | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -69.2 | -34.9 | -177.8 | -170.7 | -172.3 | 75.5 | 0 | 0 | 113.3 | L37 M44 N45 K48 W171 | L37-M173 HydrophobicContact CD1-CE 3.92Å; L37-M173 HydrophobicContact CD1-CG 4.22Å; L37-M173 HydrophobicContact CD1-SD 3.86Å; L37-M173 HydrophobicContact CG-CE 4.3Å; M44-M173 HydrophobicContact SD-CB 4.33Å; M44-M173 HydrophobicContact SD-CG 4.04Å; M44-M173 HydrophobicContact SD-SD 3.55Å; N45-M173 WeakPolarHBondContact ND2-CG 3.41Å; N45-M173 PolarHBondContact ND2-SD 2.9Å; K48-M173 HydrophobicContact CD-CE 4.34Å; W171-M173 HydrophobicContact CH2-CB 3.48Å; W171-M173 VanDerWaalsContact CH2-CB 3.48Å; W171-M173 HydrophobicContact CH2-CG 3.99Å; W171-M173 HydrophobicContact CZ2-CB 4.3Å; W171-M173 HydrophobicContact CZ3-CB 3.86Å |
| 174 | G | 74.7 | Confident | 89.6 | Confident | 14 Ų | 14 | 27.1 Ų | 27.1 | 14% | 0.144 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -168.7 | -159.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | T176 | G174-T176 VanDerWaalsContact C-N 3.26Å; G174-T176 PolarHBondContact O-N 3.45Å |
| 175 | D | 75.9 | Confident | 90.1 | Very high | 129 Ų | 129 | 22.6 Ų | 22.6 | 69% | 0.69 | 12% | 0.118 | S | C | * | . | S | Bend | trans | -71.4 | -24.1 | -179.7 | -61.7 | -26.7 | 0 | 0 | 0 | 112.5 | R221 | D175-R221 VanDerWaalsContact O-CD 3.27Å; D175-R221 WeakPolarHBondContact O-CD 3.48Å |
| 176 | T | 81.4 | Confident | 90.5 | Very high | 40 Ų | 40 | 19.3 Ų | 19.3 | 25% | 0.245 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -135.2 | 159.8 | 175.3 | 63.6 | 0 | 0 | 0 | 0 | 111.5 | G174 R221 A223 | G174-T176 VanDerWaalsContact C-N 3.26Å; G174-T176 PolarHBondContact O-N 3.45Å; T176-R221 CarbonylContact C-O 3.6Å; T176-R221 VanDerWaalsContact CA-O 3.31Å; T176-R221 WeakPolarHBondContact CA-O 3.33Å; T176-R221 WeakPolarHBondContact CB-O 3.41Å; T176-A223 VanDerWaalsContact CG2-CA 3.49Å; T176-A223 HydrophobicContact CG2-CB 3.94Å |
| 177 | G | 87 | Confident | 90.9 | Very high | 5 Ų | 5 | 19.7 Ų | 19.7 | 5% | 0.052 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 115.9 | -174.6 | 174 | 0 | 0 | 0 | 0 | 0 | 114.8 | C179 N220 R221 | G177-C179 PolarHBondContact O-N 3.06Å; G177-N220 WeakPolarHBondContact CA-OD1 3.44Å; G177-N220 PolarHBondContact O-OD1 3.35Å; G177-R221 PolarHBondContact N-O 2.89Å; G177-R221 PolarHBondContact O-N 2.84Å |
| 178 | P | 91.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 134.8 | -178.8 | -23.7 | 34.3 | 0 | 0 | 0 | 113 | M44 K48 F51 L52 M217 F219 L230 | M44-P178 HydrophobicContact CE-CB 4.13Å; M44-P178 HydrophobicContact CE-CG 4.43Å; K48-P178 HydrophobicContact CG-CG 4.28Å; F51-P178 HydrophobicContact CB-CB 4.37Å; F51-P178 HydrophobicContact CB-CG 4.18Å; L52-P178 HydrophobicContact CD2-CG 3.87Å; L52-P178 HydrophobicContact CG-CG 3.95Å; P178-M217 HydrophobicContact CB-CE 3.13Å; P178-M217 HydrophobicContact CG-CE 4.17Å; P178-F219 CarbonylContact C-O 3.58Å; P178-F219 VanDerWaalsContact CA-O 3.28Å; P178-F219 WeakPolarHBondContact CA-O 3.38Å; P178-L230 HydrophobicContact CB-CD1 4.42Å; P178-L230 HydrophobicContact CB-CD2 4.31Å; P178-L230 HydrophobicContact CG-CD2 4.49Å |
| 179 | C | 93.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.007 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 170.6 | -175.9 | 59.7 | 0 | 0 | 0 | 0 | 112.1 | F170 W171 Q172 G177 Q218 F219 | F170-C179 HydrophobicContact CE1-CB 4.03Å; W171-C179 WeakPolarHBondContact O-CA 3.41Å; W171-C179 WeakPolarHBondContact O-CB 3.37Å; Q172-C179 HydrophobicContact CB-CB 3.99Å; G177-C179 PolarHBondContact O-N 3.06Å; C179-Q218 PolarHBondContact O-N 2.95Å; C179-Q218 VanDerWaalsContact O-N 3.08Å; C179-F219 PolarHBondContact N-O 3.17Å; C179-F219 PolarHBondContact O-N 3.05Å |
| 180 | G | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174 | 173.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | W171 | W171-G180 PolarHBondContact N-O 3.29Å; W171-G180 PolarHBondContact O-N 3.38Å; W171-G180 VanDerWaalsContact O-N 3.14Å |
| 181 | P | 97.1 | Very high | 91 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 6% | 0.058 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 153.2 | 171.7 | 29 | -34.9 | 0 | 0 | 0 | 110.3 | Y133 N169 F170 F216 | Y133-P181 HydrophobicContact CD1-CB 4.03Å; Y133-P181 HydrophobicContact CG-CB 3.95Å; N169-P181 CarbonylContact O-C 3.58Å; N169-P181 WeakPolarHBondContact O-CA 3.34Å; F170-P181 HydrophobicContact CD2-CB 4.41Å; P181-F216 WeakPolarHBondContact CD-O 3.36Å; P181-F216 HydrophobicContact CG-CB 4.44Å; P181-F216 WeakPolarHBondContact O-CA 3.49Å; P181-F216 WeakPolarHBondContact O-CB 3.39Å; P181-F216 PolarHBondContact O-N 3.47Å |
| 182 | C | 97.5 | Very high | 91 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 162 | 177.7 | 68.4 | 0 | 0 | 0 | 0 | 112.3 | Y133 N169 W171 N213 I214 V215 | Y133-C182 PolarHBondContact N-O 3.31Å; N169-C182 WeakPolarHBondContact CA-SG 3.18Å; N169-C182 PolarHBondContact ND2-O 2.91Å; N169-C182 PolarHBondContact O-N 3.45Å; W171-C182 HydrophobicContact CB-CB 4.48Å; C182-N213 WeakPolarHBondContact CB-OD1 3.48Å; C182-N213 PolarHBondContact SG-OD1 3.1Å; C182-I214 CarbonylContact C-O 3.49Å; C182-I214 WeakPolarHBondContact CA-O 3.47Å; C182-I214 WeakPolarHBondContact CB-O 3.31Å; C182-V215 HydrophobicContact CB-CB 4.21Å; C182-V215 HydrophobicContact CB-CG1 4.45Å; C182-V215 HydrophobicContact CB-CG2 3.94Å |
| 183 | T | 98.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 135.8 | 166.1 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | I108 T131 W143 I214 F216 | I108-T183 HydrophobicContact CG1-CG2 4.32Å; T131-T183 CarbonylContact O-C 3.56Å; T131-T183 WeakPolarHBondContact O-CA 3.4Å; T131-T183 VanDerWaalsContact O-CB 3.25Å; T131-T183 WeakPolarHBondContact O-CB 3.31Å; T131-T183 PolarHBondContact O-OG1 2.69Å; W143-T183 HydrophobicContact CZ2-CG2 4.33Å; W143-T183 PolarHBondContact NE1-OG1 2.85Å; T183-I214 HydrophobicContact CG2-CB 3.77Å; T183-I214 HydrophobicContact CG2-CD1 4.17Å; T183-I214 HydrophobicContact CG2-CG1 4.42Å; T183-I214 HydrophobicContact CG2-CG2 4.28Å; T183-I214 PolarHBondContact N-O 3.27Å; T183-I214 PolarHBondContact O-N 2.9Å; T183-F216 HydrophobicContact CG2-CE2 3.79Å; T183-F216 HydrophobicContact CG2-CZ 3.62Å |
| 184 | E | 98 | Very high | 92.2 | Very high | 20 Ų | 20 | 38.4 Ų | 38.4 | 9% | 0.093 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 145.2 | 179 | -53 | -178.2 | 136.6 | 0 | 0 | 109.9 | V130 T131 F186 E210 W212 N213 | V130-E184 CarbonylContact C-O 3.05Å; V130-E184 WeakPolarHBondContact CA-O 3.17Å; T131-E184 PolarHBondContact N-O 3.31Å; T131-E184 PolarHBondContact O-N 2.93Å; T131-E184 VanDerWaalsContact O-N 3.13Å; T131-E184 WeakPolarHBondContact OG1-CB 3.28Å; T131-E184 PolarHBondContact OG1-N 3.49Å; E184-F186 HydrophobicContact CB-CD2 4.34Å; E184-F186 HydrophobicContact CB-CE2 3.69Å; E184-F186 HydrophobicContact CB-CZ 4.43Å; E184-E210 HydrophobicContact CB-CG 4.18Å; E184-W212 CarbonylContact C-O 3.52Å; E184-W212 VanDerWaalsContact CA-O 3.31Å; E184-W212 WeakPolarHBondContact CA-O 3.3Å; E184-N213 HydrophobicContact CG-CB 4.14Å; E184-N213 PolarHBondContact OE1-ND2 2.78Å |
| 185 | I | 98.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.5 | 178.3 | -53.2 | 174.6 | 0 | 0 | 0 | 108.2 | A111 L115 L128 W129 V130 W143 I211 W212 I214 | A111-I185 HydrophobicContact CB-CD1 3.96Å; L115-I185 HydrophobicContact CD1-CB 4.46Å; L115-I185 HydrophobicContact CD1-CD1 3.72Å; L115-I185 HydrophobicContact CD1-CG2 3.78Å; L128-I185 HydrophobicContact CD2-CG2 4.18Å; W129-I185 WeakPolarHBondContact O-CA 3.47Å; V130-I185 HydrophobicContact CG1-CG1 4.14Å; V130-I185 HydrophobicContact CG1-CG2 4.45Å; W143-I185 HydrophobicContact CH2-CD1 3.76Å; W143-I185 HydrophobicContact CH2-CG1 4.1Å; W143-I185 HydrophobicContact CZ2-CD1 4.1Å; W143-I185 HydrophobicContact CZ2-CG1 4.09Å; I185-I211 HydrophobicContact CB-CG1 4.34Å; I185-I211 HydrophobicContact CG2-CD1 4.18Å; I185-I211 HydrophobicContact CG2-CG1 4.18Å; I185-I211 VanDerWaalsContact O-CG1 3.24Å; I185-I211 WeakPolarHBondContact O-CG1 3.48Å; I185-I211 PolarHBondContact O-N 3.43Å; I185-W212 HydrophobicContact CB-CB 4.3Å; I185-W212 HydrophobicContact CD1-CB 4.41Å; I185-W212 HydrophobicContact CD1-CE3 4.22Å; I185-W212 PolarHBondContact N-O 3.07Å; I185-W212 PolarHBondContact O-N 3.37Å; I185-I214 HydrophobicContact CD1-CD1 4Å |
| 186 | F | 97.6 | Very high | 93.9 | Very high | 21 Ų | 21 | 32.2 Ų | 32.2 | 9% | 0.092 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 143 | 179.1 | -69 | -104.8 | 0 | 0 | 0 | 110.9 | L128 W129 T131 E184 P198 I209 E210 | L128-F186 WeakPolarHBondContact CA-O 3.31Å; W129-F186 HydrophobicContact CB-CB 4.18Å; W129-F186 PolarHBondContact N-O 2.93Å; W129-F186 PolarHBondContact O-N 3.04Å; T131-F186 HydrophobicContact CG2-CD2 4.06Å; T131-F186 HydrophobicContact CG2-CE2 3.52Å; T131-F186 HydrophobicContact CG2-CZ 4.34Å; E184-F186 HydrophobicContact CB-CD2 4.34Å; E184-F186 HydrophobicContact CB-CE2 3.69Å; E184-F186 HydrophobicContact CB-CZ 4.43Å; F186-P198 HydrophobicContact CD1-CB 4.45Å; F186-P198 HydrophobicContact CD1-CG 4.17Å; F186-P198 HydrophobicContact CD2-CB 4.49Å; F186-P198 HydrophobicContact CD2-CG 3.85Å; F186-P198 HydrophobicContact CE1-CB 3.92Å; F186-P198 HydrophobicContact CE1-CG 4.11Å; F186-P198 HydrophobicContact CE2-CB 3.96Å; F186-P198 HydrophobicContact CE2-CG 3.78Å; F186-P198 HydrophobicContact CG-CG 4.05Å; F186-P198 HydrophobicContact CZ-CB 3.67Å; F186-P198 HydrophobicContact CZ-CG 3.94Å; F186-I209 CarbonylContact C-O 3.6Å; F186-I209 VanDerWaalsContact CA-O 3.26Å; F186-I209 WeakPolarHBondContact CA-O 3.41Å; F186-E210 HydrophobicContact CD1-CB 4.01Å; F186-E210 VanDerWaalsContact CD1-N 3.34Å; F186-E210 HydrophobicContact CE1-CB 3.64Å; F186-E210 HydrophobicContact CE2-CB 4.48Å; F186-E210 HydrophobicContact CZ-CB 3.89Å; F186-E210 HydrophobicContact CZ-CG 4.34Å |
| 187 | Y | 96.9 | Very high | 94.5 | Very high | 24 Ų | 24 | 32.1 Ų | 32.1 | 9% | 0.094 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 126.1 | 169.5 | -171.5 | -95.5 | 0 | 0 | 0 | 110.4 | L123 R127 L128 H189 Y208 I209 V247 | L123-Y187 HydrophobicContact CD1-CD2 4.4Å; L123-Y187 HydrophobicContact CD2-CE2 4.44Å; R127-Y187 HydrophobicContact CB-CD2 4Å; R127-Y187 HydrophobicContact CB-CE2 3.52Å; R127-Y187 HydrophobicContact CG-CE2 4.23Å; L128-Y187 HydrophobicContact CD2-CD2 4Å; Y187-H189 AromaticContact CD1-CE1 3.93Å; Y187-H189 AromaticContact CD1-NE2 3.9Å; Y187-H189 AromaticContact CE1-ND1 3.97Å; Y187-Y208 WeakPolarHBondContact O-CA 3.41Å; Y187-I209 PolarHBondContact N-O 2.95Å; Y187-I209 PolarHBondContact O-N 3.21Å; Y187-V247 HydrophobicContact CD1-CG1 3.87Å; Y187-V247 HydrophobicContact CD1-CG2 3.92Å; Y187-V247 HydrophobicContact CD2-CG1 3.71Å; Y187-V247 HydrophobicContact CE1-CG1 3.89Å; Y187-V247 HydrophobicContact CE2-CG1 3.72Å; Y187-V247 HydrophobicContact CG-CG1 3.79Å; Y187-V247 HydrophobicContact CG-CG2 4.01Å |
| 188 | D | 96.5 | Very high | 94.7 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 8% | 0.08 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 102.3 | 174.9 | -179.9 | 8.9 | 0 | 0 | 0 | 110.7 | R127 G190 R207 Y208 | R127-D188 WeakPolarHBondContact CD-O 3.34Å; R127-D188 PolarHBondContact NH1-O 3.03Å; R127-D188 PolarHBondContact O-N 3.45Å; D188-G190 PolarHBondContact O-N 3.14Å; D188-G190 WeakPolarHBondContact OD1-CA 3.45Å; D188-G190 PolarHBondContact OD1-N 3.36Å; D188-R207 VanDerWaalsContact OD1-CG 3.3Å; D188-R207 WeakPolarHBondContact OD1-CG 3.26Å; D188-R207 IonicContact OD1-CZ 3.29Å; D188-R207 IonicContact OD1-NE 2.76Å; D188-R207 PolarHBondContact OD1-NE 3.04Å; D188-R207 IonicContact OD1-NH2 3.77Å; D188-R207 PolarHBondContact OD1-NH2 2.96Å; D188-R207 IonicContact OD2-CZ 3.64Å; D188-R207 IonicContact OD2-NE 3.48Å; D188-R207 IonicContact OD2-NH2 3.18Å; D188-R207 PolarHBondContact OD2-NH2 3.08Å; D188-Y208 HydrophobicContact CB-CD1 3.98Å; D188-Y208 HydrophobicContact CB-CE1 3.75Å |
| 189 | H | 93.3 | Very high | 94.5 | Very high | 26 Ų | 26 | 34.7 Ų | 34.7 | 12% | 0.12 | 18% | 0.182 | C | C | . | . | trans | -64.6 | -20.3 | 174.7 | -72 | -85.8 | 0 | 0 | 0 | 112.8 | R127 Y187 H192 I193 R207 | R127-H189 PolarHBondContact NH1-O 3.02Å; Y187-H189 AromaticContact CD1-CE1 3.93Å; Y187-H189 AromaticContact CD1-NE2 3.9Å; Y187-H189 AromaticContact CE1-ND1 3.97Å; H189-H192 PolarHBondContact O-CE1 3.02Å; H189-I193 HydrophobicContact CB-CD1 3.5Å; H189-I193 VanDerWaalsContact CB-CD1 3.5Å; H189-I193 HydrophobicContact CB-CG1 4.22Å; H189-R207 PolarHBondContact N-O 2.96Å | ||
| 190 | G | 93.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 6% | 0.062 | 19% | 0.19 | C | C | . | . | trans | 106.1 | 167.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D188 H192 I193 | D188-G190 PolarHBondContact O-N 3.14Å; D188-G190 WeakPolarHBondContact OD1-CA 3.45Å; D188-G190 PolarHBondContact OD1-N 3.36Å; G190-H192 PolarHBondContact O-N 3.42Å; G190-I193 PolarHBondContact O-N 3.29Å | ||
| 191 | D | 92.4 | Very high | 94.2 | Very high | 134 Ų | 134 | 42.2 Ų | 42.2 | 72% | 0.717 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -15.5 | -169.4 | -55.2 | -27.3 | 0 | 0 | 0 | 116.3 | I193 R207 | D191-I193 PolarHBondContact O-N 3.43Å; D191-R207 IonicContact OD1-CZ 2.62Å; D191-R207 IonicContact OD1-NE 3.99Å; D191-R207 IonicContact OD1-NH1 2.67Å; D191-R207 PolarHBondContact OD1-NH1 3.45Å; D191-R207 IonicContact OD1-NH2 3.12Å; D191-R207 PolarHBondContact OD1-NH2 2.9Å |
| 192 | H | 93.3 | Very high | 94 | Very high | 159 Ų | 159 | 46.8 Ų | 46.8 | 74% | 0.736 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -8.5 | 177.6 | 68.7 | -76.5 | 0 | 0 | 0 | 113.1 | H189 G190 | H189-H192 PolarHBondContact O-CE1 3.02Å; G190-H192 PolarHBondContact O-N 3.42Å |
| 193 | I | 91.5 | Very high | 93.6 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -111.2 | 134.4 | 174.8 | -47.7 | -161.6 | 0 | 0 | 0 | 107.7 | H189 G190 D191 D206 R207 N252 | H189-I193 HydrophobicContact CB-CD1 3.5Å; H189-I193 VanDerWaalsContact CB-CD1 3.5Å; H189-I193 HydrophobicContact CB-CG1 4.22Å; G190-I193 PolarHBondContact O-N 3.29Å; D191-I193 PolarHBondContact O-N 3.43Å; I193-D206 HydrophobicContact CG2-CB 3.76Å; I193-R207 HydrophobicContact CB-CB 4.25Å; I193-R207 HydrophobicContact CG2-CB 4.4Å; I193-R207 WeakPolarHBondContact O-CB 3.44Å; I193-N252 HydrophobicContact CD1-CB 3.97Å; I193-N252 WeakPolarHBondContact CD1-OD1 3.41Å |
| 194 | W | 93.5 | Very high | 93.1 | Very high | 180 Ų | 180 | 55.8 Ų | 55.8 | 68% | 0.682 | 30% | 0.298 | S | S | * | . | trans | -71.9 | 135.4 | 178.5 | 178.6 | 81.3 | 0 | 0 | 0 | 110.8 | G205 D206 R207 | W194-G205 VanDerWaalsContact CZ3-CA 3.41Å; W194-G205 CarbonylContact O-C 3.41Å; W194-G205 WeakPolarHBondContact O-CA 3.46Å; W194-D206 PolarHBondContact O-N 3.46Å; W194-R207 PolarHBondContact O-N 2.79Å | ||
| 195 | G | 92.2 | Very high | 92.7 | Very high | 11 Ų | 11 | 55 Ų | 55 | 11% | 0.113 | 30% | 0.295 | C | S | . | . | trans | 149 | 152.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E202 R207 | G195-E202 WeakPolarHBondContact CA-O 3.33Å; G195-R207 WeakPolarHBondContact O-CD 3.3Å | ||
| 196 | G | 93.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 57.3 Ų | 57.3 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | trans | -107.6 | 166.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S200 E202 Y208 | G196-S200 WeakPolarHBondContact CA-OG 3.46Å; G196-E202 PolarHBondContact N-O 3.33Å; G196-Y208 VanDerWaalsContact C-CE2 3.42Å; G196-Y208 WeakPolarHBondContact O-CD2 3.31Å | ||
| 197 | P | 94.1 | Very high | 92.2 | Very high | 37 Ų | 37 | 58.1 Ų | 58.1 | 24% | 0.24 | 31% | 0.31 | C | S | . | . | trans | -61.8 | 159.4 | 176.2 | 27.9 | -34.9 | 0 | 0 | 0 | 111.1 | W129 I155 S200 Y208 | W129-P197 HydrophobicContact CE3-CB 4.23Å; W129-P197 HydrophobicContact CZ3-CB 4.06Å; I155-P197 HydrophobicContact CD1-CB 3.89Å; P197-S200 WeakPolarHBondContact O-CB 3.46Å; P197-S200 PolarHBondContact O-N 3.21Å; P197-S200 VanDerWaalsContact O-N 3.12Å; P197-S200 PolarHBondContact O-OG 3.34Å; P197-Y208 HydrophobicContact CB-CD1 4.45Å; P197-Y208 HydrophobicContact CB-CE1 4.16Å; P197-Y208 HydrophobicContact CB-CE2 4.21Å; P197-Y208 VanDerWaalsContact N-CE2 3.3Å | ||
| 198 | P | 91.7 | Very high | 92.1 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 6% | 0.058 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 143.8 | 179 | 23.6 | -32.3 | 0 | 0 | 0 | 111.5 | T131 I155 I157 F186 S200 | T131-P198 HydrophobicContact CG2-CB 3.68Å; T131-P198 HydrophobicContact CG2-CG 3.38Å; I155-P198 HydrophobicContact CD1-CG 4.05Å; I155-P198 VanDerWaalsContact CD1-O 3.3Å; I155-P198 WeakPolarHBondContact CD1-O 3.42Å; I157-P198 HydrophobicContact CD1-CB 4.43Å; F186-P198 HydrophobicContact CD1-CB 4.45Å; F186-P198 HydrophobicContact CD1-CG 4.17Å; F186-P198 HydrophobicContact CD2-CB 4.49Å; F186-P198 HydrophobicContact CD2-CG 3.85Å; F186-P198 HydrophobicContact CE1-CB 3.92Å; F186-P198 HydrophobicContact CE1-CG 4.11Å; F186-P198 HydrophobicContact CE2-CB 3.96Å; F186-P198 HydrophobicContact CE2-CG 3.78Å; F186-P198 HydrophobicContact CG-CG 4.05Å; F186-P198 HydrophobicContact CZ-CB 3.67Å; F186-P198 HydrophobicContact CZ-CG 3.94Å; P198-S200 VanDerWaalsContact C-N 3.27Å; P198-S200 PolarHBondContact O-N 2.81Å |
| 199 | G | 87.2 | Confident | 91.9 | Very high | 51 Ų | 51 | 57.9 Ų | 57.9 | 53% | 0.526 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | -1.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E203 | G199-E203 VanDerWaalsContact CA-OE2 3.28Å; G199-E203 WeakPolarHBondContact CA-OE2 3.35Å; G199-E203 PolarHBondContact N-OE2 2.97Å |
| 200 | S | 91.6 | Very high | 92 | Very high | 23 Ų | 23 | 58.5 Ų | 58.5 | 16% | 0.161 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -90.4 | 160.2 | 174.7 | 76 | 0 | 0 | 0 | 0 | 111.8 | G196 P197 P198 E202 E203 | G196-S200 WeakPolarHBondContact CA-OG 3.46Å; P197-S200 WeakPolarHBondContact O-CB 3.46Å; P197-S200 PolarHBondContact O-N 3.21Å; P197-S200 VanDerWaalsContact O-N 3.12Å; P197-S200 PolarHBondContact O-OG 3.34Å; P198-S200 VanDerWaalsContact C-N 3.27Å; P198-S200 PolarHBondContact O-N 2.81Å; S200-E202 PolarHBondContact O-N 3.2Å; S200-E202 PolarHBondContact OG-N 2.94Å; S200-E203 WeakPolarHBondContact O-CB 3.45Å; S200-E203 WeakPolarHBondContact O-CG 3.23Å; S200-E203 PolarHBondContact O-N 3.25Å; S200-E203 VanDerWaalsContact O-N 3.14Å; S200-E203 PolarHBondContact OG-N 3.47Å |
| 201 | P | 90.2 | Very high | 92.1 | Very high | 135 Ų | 135 | 58.2 Ų | 58.2 | 88% | 0.877 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -12.7 | 174.6 | -23.8 | 34.6 | 0 | 0 | 0 | 115 | ||
| 202 | E | 92.7 | Very high | 92.4 | Very high | 105 Ų | 105 | 51.9 Ų | 51.9 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | 12.7 | -175.2 | -65.7 | 155.6 | -178.9 | 0 | 0 | 111.7 | G195 G196 S200 D204 G205 | G195-E202 WeakPolarHBondContact CA-O 3.33Å; G196-E202 PolarHBondContact N-O 3.33Å; S200-E202 PolarHBondContact O-N 3.2Å; S200-E202 PolarHBondContact OG-N 2.94Å; E202-D204 PolarHBondContact O-N 3.02Å; E202-D204 VanDerWaalsContact O-N 3.14Å; E202-G205 PolarHBondContact O-N 2.99Å |
| 203 | E | 90.1 | Very high | 92.6 | Very high | 70 Ų | 70 | 45.2 Ų | 45.2 | 33% | 0.327 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -24 | -175.8 | 67.2 | -175.9 | 175.9 | 0 | 0 | 114.5 | G199 S200 G205 | G199-E203 VanDerWaalsContact CA-OE2 3.28Å; G199-E203 WeakPolarHBondContact CA-OE2 3.35Å; G199-E203 PolarHBondContact N-OE2 2.97Å; S200-E203 WeakPolarHBondContact O-CB 3.45Å; S200-E203 WeakPolarHBondContact O-CG 3.23Å; S200-E203 PolarHBondContact O-N 3.25Å; S200-E203 VanDerWaalsContact O-N 3.14Å; S200-E203 PolarHBondContact OG-N 3.47Å; E203-G205 PolarHBondContact O-N 3.41Å |
| 204 | D | 86.7 | Confident | 93 | Very high | 120 Ų | 120 | 44.1 Ų | 44.1 | 64% | 0.642 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -13.6 | -179.6 | -78.5 | -39.4 | 0 | 0 | 0 | 114.4 | R86 E202 | R86-D204 PolarHBondContact NH1-O 3.13Å; R86-D204 PolarHBondContact NH2-O 3Å; E202-D204 PolarHBondContact O-N 3.02Å; E202-D204 VanDerWaalsContact O-N 3.14Å |
| 205 | G | 89.6 | Confident | 93.2 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -66.1 | 165.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | W194 E202 E203 R207 | W194-G205 VanDerWaalsContact CZ3-CA 3.41Å; W194-G205 CarbonylContact O-C 3.41Å; W194-G205 WeakPolarHBondContact O-CA 3.46Å; E202-G205 PolarHBondContact O-N 2.99Å; E203-G205 PolarHBondContact O-N 3.41Å; G205-R207 VanDerWaalsContact C-N 3.28Å; G205-R207 PolarHBondContact O-N 3.45Å |
| 206 | D | 90.1 | Very high | 93.4 | Very high | 48 Ų | 48 | 35.1 Ų | 35.1 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -85.3 | 2.3 | -174.8 | -74.2 | -43.4 | 0 | 0 | 0 | 113.5 | R86 I193 W194 | R86-D206 IonicContact CZ-OD1 3.99Å; R86-D206 IonicContact NH1-OD1 3.7Å; R86-D206 PolarHBondContact NH1-OD1 3.35Å; I193-D206 HydrophobicContact CG2-CB 3.76Å; W194-D206 PolarHBondContact O-N 3.46Å |
| 207 | R | 94.7 | Very high | 93.5 | Very high | 39 Ų | 39 | 35 Ų | 35 | 15% | 0.147 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -70.2 | -48.4 | -178.3 | -178.6 | 179.8 | 162.8 | 169.1 | 6.1 | 112.9 | D188 H189 D191 I193 W194 G195 G205 | D188-R207 VanDerWaalsContact OD1-CG 3.3Å; D188-R207 WeakPolarHBondContact OD1-CG 3.26Å; D188-R207 IonicContact OD1-CZ 3.29Å; D188-R207 IonicContact OD1-NE 2.76Å; D188-R207 PolarHBondContact OD1-NE 3.04Å; D188-R207 IonicContact OD1-NH2 3.77Å; D188-R207 PolarHBondContact OD1-NH2 2.96Å; D188-R207 IonicContact OD2-CZ 3.64Å; D188-R207 IonicContact OD2-NE 3.48Å; D188-R207 IonicContact OD2-NH2 3.18Å; D188-R207 PolarHBondContact OD2-NH2 3.08Å; H189-R207 PolarHBondContact N-O 2.96Å; D191-R207 IonicContact OD1-CZ 2.62Å; D191-R207 IonicContact OD1-NE 3.99Å; D191-R207 IonicContact OD1-NH1 2.67Å; D191-R207 PolarHBondContact OD1-NH1 3.45Å; D191-R207 IonicContact OD1-NH2 3.12Å; D191-R207 PolarHBondContact OD1-NH2 2.9Å; I193-R207 HydrophobicContact CB-CB 4.25Å; I193-R207 HydrophobicContact CG2-CB 4.4Å; I193-R207 WeakPolarHBondContact O-CB 3.44Å; W194-R207 PolarHBondContact O-N 2.79Å; G195-R207 WeakPolarHBondContact O-CD 3.3Å; G205-R207 VanDerWaalsContact C-N 3.28Å; G205-R207 PolarHBondContact O-N 3.45Å |
| 208 | Y | 94.8 | Very high | 93.5 | Very high | 18 Ų | 18 | 35.8 Ų | 35.8 | 7% | 0.071 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 106.4 | -176.7 | -67.1 | -93.5 | 0 | 0 | 0 | 108.8 | W129 Y187 D188 G196 P197 | W129-Y208 AromaticContact CD1-CE1 3.89Å; W129-Y208 AromaticContact CD2-CE1 3.9Å; W129-Y208 HydrophobicContact CD2-CE1 3.9Å; W129-Y208 AromaticContact CE2-CE1 3.69Å; W129-Y208 HydrophobicContact CG-CD1 4.34Å; W129-Y208 HydrophobicContact CG-CE1 4.06Å; W129-Y208 HydrophobicContact CZ2-CE1 4.19Å; W129-Y208 AromaticContact NE1-CE1 3.68Å; Y187-Y208 WeakPolarHBondContact O-CA 3.41Å; D188-Y208 HydrophobicContact CB-CD1 3.98Å; D188-Y208 HydrophobicContact CB-CE1 3.75Å; G196-Y208 VanDerWaalsContact C-CE2 3.42Å; G196-Y208 WeakPolarHBondContact O-CD2 3.31Å; P197-Y208 HydrophobicContact CB-CD1 4.45Å; P197-Y208 HydrophobicContact CB-CE1 4.16Å; P197-Y208 HydrophobicContact CB-CE2 4.21Å; P197-Y208 VanDerWaalsContact N-CE2 3.3Å |
| 209 | I | 93.9 | Very high | 93.7 | Very high | 15 Ų | 15 | 38 Ų | 38 | 8% | 0.077 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.6 | -176.5 | -60.9 | -59.9 | 0 | 0 | 0 | 109.8 | F186 Y187 I211 | F186-I209 CarbonylContact C-O 3.6Å; F186-I209 VanDerWaalsContact CA-O 3.26Å; F186-I209 WeakPolarHBondContact CA-O 3.41Å; Y187-I209 PolarHBondContact N-O 2.95Å; Y187-I209 PolarHBondContact O-N 3.21Å; I209-I211 PolarHBondContact O-N 3.37Å |
| 210 | E | 94.9 | Very high | 93.9 | Very high | 40 Ų | 40 | 36.1 Ų | 36.1 | 19% | 0.187 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 115.5 | 168.4 | -178.9 | -94.5 | 124.5 | 0 | 0 | 109.2 | E184 F186 W212 N213 R243 | E184-E210 HydrophobicContact CB-CG 4.18Å; F186-E210 HydrophobicContact CD1-CB 4.01Å; F186-E210 VanDerWaalsContact CD1-N 3.34Å; F186-E210 HydrophobicContact CE1-CB 3.64Å; F186-E210 HydrophobicContact CE2-CB 4.48Å; F186-E210 HydrophobicContact CZ-CB 3.89Å; F186-E210 HydrophobicContact CZ-CG 4.34Å; E210-W212 WeakPolarHBondContact OE1-CA 3.47Å; E210-W212 PolarHBondContact OE1-N 2.79Å; E210-W212 VanDerWaalsContact OE1-N 3.15Å; E210-N213 PolarHBondContact OE1-N 2.52Å; E210-R243 VanDerWaalsContact O-CD 3.28Å; E210-R243 WeakPolarHBondContact O-CD 3.43Å; E210-R243 PolarHBondContact O-NH1 2.88Å; E210-R243 IonicContact OE2-CZ 2.67Å; E210-R243 IonicContact OE2-NH1 2.77Å; E210-R243 PolarHBondContact OE2-NH1 2.66Å |
| 211 | I | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | -23.2 | 178.7 | 57.1 | 167.2 | 0 | 0 | 0 | 112.3 | L115 L123 L128 I185 I209 M239 I244 V247 | L115-I211 HydrophobicContact CD1-CD1 4.02Å; L115-I211 HydrophobicContact CD2-CD1 4.12Å; L123-I211 HydrophobicContact CD1-CD1 4.17Å; L128-I211 HydrophobicContact CD2-CD1 4.17Å; I185-I211 HydrophobicContact CB-CG1 4.34Å; I185-I211 HydrophobicContact CG2-CD1 4.18Å; I185-I211 HydrophobicContact CG2-CG1 4.18Å; I185-I211 VanDerWaalsContact O-CG1 3.24Å; I185-I211 WeakPolarHBondContact O-CG1 3.48Å; I185-I211 PolarHBondContact O-N 3.43Å; I209-I211 PolarHBondContact O-N 3.37Å; I211-M239 WeakPolarHBondContact O-CA 3.47Å; I211-M239 WeakPolarHBondContact O-CB 3.49Å; I211-M239 WeakPolarHBondContact O-CG 3.46Å; I211-I244 HydrophobicContact CD1-CD1 4.24Å; I211-V247 HydrophobicContact CG2-CG2 3.98Å |
| 212 | W | 97.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 124.6 | -177.8 | -157.9 | -7.9 | 0 | 0 | 0 | 112 | F12 F16 N96 A111 L114 L115 E184 I185 E210 I214 T237 M239 | F12-W212 HydrophobicContact CE2-CH2 4.38Å; F12-W212 HydrophobicContact CE2-CZ2 4.02Å; F16-W212 AromaticContact CE2-CH2 3.99Å; F16-W212 HydrophobicContact CE2-CH2 3.99Å; F16-W212 AromaticContact CE2-CZ2 4Å; F16-W212 HydrophobicContact CE2-CZ2 4Å; F16-W212 AromaticContact CZ-CH2 3.85Å; F16-W212 HydrophobicContact CZ-CH2 3.85Å; F16-W212 AromaticContact CZ-CZ2 3.85Å; F16-W212 HydrophobicContact CZ-CZ2 3.85Å; N96-W212 WeakPolarHBondContact OD1-CZ2 3.43Å; A111-W212 HydrophobicContact CB-CD2 4.39Å; A111-W212 HydrophobicContact CB-CE3 3.81Å; A111-W212 HydrophobicContact CB-CH2 3.75Å; A111-W212 HydrophobicContact CB-CZ2 4.32Å; A111-W212 HydrophobicContact CB-CZ3 3.48Å; A111-W212 VanDerWaalsContact CB-CZ3 3.48Å; L114-W212 HydrophobicContact CB-CH2 4.43Å; L114-W212 HydrophobicContact CB-CZ3 4.32Å; L114-W212 HydrophobicContact CD2-CH2 3.7Å; L114-W212 HydrophobicContact CD2-CZ3 3.87Å; L115-W212 HydrophobicContact CD1-CE3 4.09Å; L115-W212 HydrophobicContact CD2-CE3 4.1Å; L115-W212 HydrophobicContact CD2-CZ3 4.26Å; L115-W212 HydrophobicContact CG-CE3 4.02Å; L115-W212 HydrophobicContact CG-CZ3 4.05Å; E184-W212 CarbonylContact C-O 3.52Å; E184-W212 VanDerWaalsContact CA-O 3.31Å; E184-W212 WeakPolarHBondContact CA-O 3.3Å; I185-W212 HydrophobicContact CB-CB 4.3Å; I185-W212 HydrophobicContact CD1-CB 4.41Å; I185-W212 HydrophobicContact CD1-CE3 4.22Å; I185-W212 PolarHBondContact N-O 3.07Å; I185-W212 PolarHBondContact O-N 3.37Å; E210-W212 WeakPolarHBondContact OE1-CA 3.47Å; E210-W212 PolarHBondContact OE1-N 2.79Å; E210-W212 VanDerWaalsContact OE1-N 3.15Å; W212-I214 HydrophobicContact CG-CG1 4.42Å; W212-T237 VanDerWaalsContact NE1-CB 3.26Å; W212-T237 PolarHBondContact NE1-OG1 3.21Å; W212-M239 HydrophobicContact CB-CB 4.27Å; W212-M239 HydrophobicContact CD2-CB 4.26Å; W212-M239 HydrophobicContact CD2-SD 4.34Å; W212-M239 HydrophobicContact CE3-SD 4.3Å; W212-M239 HydrophobicContact CG-CB 3.85Å |
| 213 | N | 97.9 | Very high | 93.1 | Very high | 18 Ų | 18 | 30.2 Ų | 30.2 | 10% | 0.096 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 126.8 | 168.2 | -170.8 | -26.4 | 0 | 0 | 0 | 110.3 | C182 E184 E210 V215 T237 G238 | C182-N213 WeakPolarHBondContact CB-OD1 3.48Å; C182-N213 PolarHBondContact SG-OD1 3.1Å; E184-N213 HydrophobicContact CG-CB 4.14Å; E184-N213 PolarHBondContact OE1-ND2 2.78Å; E210-N213 PolarHBondContact OE1-N 2.52Å; N213-V215 WeakPolarHBondContact OD1-CG2 3.48Å; N213-T237 CarbonylContact O-C 3.59Å; N213-T237 VanDerWaalsContact O-CA 3.24Å; N213-T237 WeakPolarHBondContact O-CA 3.44Å; N213-T237 WeakPolarHBondContact O-CB 3.45Å; N213-G238 PolarHBondContact N-O 3.25Å; N213-G238 PolarHBondContact O-N 3.44Å |
| 214 | I | 98.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 104.3 | 179.6 | -53.5 | 173.5 | 0 | 0 | 0 | 108.2 | A107 A111 W143 C182 T183 I185 W212 F216 V235 T237 | A107-I214 HydrophobicContact CB-CG2 3.99Å; A111-I214 HydrophobicContact CB-CD1 3.47Å; A111-I214 VanDerWaalsContact CB-CD1 3.47Å; W143-I214 HydrophobicContact CZ2-CD1 4.47Å; C182-I214 CarbonylContact C-O 3.49Å; C182-I214 WeakPolarHBondContact CA-O 3.47Å; C182-I214 WeakPolarHBondContact CB-O 3.31Å; T183-I214 HydrophobicContact CG2-CB 3.77Å; T183-I214 HydrophobicContact CG2-CD1 4.17Å; T183-I214 HydrophobicContact CG2-CG1 4.42Å; T183-I214 HydrophobicContact CG2-CG2 4.28Å; T183-I214 PolarHBondContact N-O 3.27Å; T183-I214 PolarHBondContact O-N 2.9Å; I185-I214 HydrophobicContact CD1-CD1 4Å; W212-I214 HydrophobicContact CG-CG1 4.42Å; I214-F216 HydrophobicContact CG2-CD1 4.47Å; I214-F216 HydrophobicContact CG2-CE1 3.68Å; I214-F216 HydrophobicContact CG2-CZ 4Å; I214-V235 HydrophobicContact CG2-CG1 4.41Å; I214-T237 HydrophobicContact CB-CG2 4.39Å; I214-T237 HydrophobicContact CG1-CG2 4.36Å; I214-T237 HydrophobicContact CG2-CG2 4.07Å |
| 215 | V | 97.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 126.3 | -174.7 | -173.1 | 0 | 0 | 0 | 0 | 110.7 | W171 C182 N213 M217 V235 D236 | W171-V215 HydrophobicContact CB-CB 4.29Å; W171-V215 HydrophobicContact CB-CG1 3.78Å; W171-V215 HydrophobicContact CB-CG2 3.48Å; W171-V215 VanDerWaalsContact CB-CG2 3.48Å; W171-V215 HydrophobicContact CD2-CG2 4.05Å; W171-V215 HydrophobicContact CE3-CG1 4.22Å; W171-V215 HydrophobicContact CE3-CG2 4.48Å; W171-V215 HydrophobicContact CG-CG1 4.37Å; W171-V215 HydrophobicContact CG-CG2 3.6Å; C182-V215 HydrophobicContact CB-CB 4.21Å; C182-V215 HydrophobicContact CB-CG1 4.45Å; C182-V215 HydrophobicContact CB-CG2 3.94Å; N213-V215 WeakPolarHBondContact OD1-CG2 3.48Å; V215-M217 HydrophobicContact CG1-CG 3.88Å; V215-M217 PolarHBondContact O-N 3.33Å; V215-V235 WeakPolarHBondContact O-CA 3.47Å; V215-D236 WeakPolarHBondContact CA-O 3.43Å; V215-D236 HydrophobicContact CB-CB 4.24Å; V215-D236 WeakPolarHBondContact CB-O 3.39Å; V215-D236 PolarHBondContact N-O 3.08Å; V215-D236 PolarHBondContact O-N 3.22Å |
| 216 | F | 97.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 82.4 | 174.5 | -53.8 | -50.5 | 0 | 0 | 0 | 108.6 | F103 K104 A107 I108 A139 P181 T183 I214 Q218 | F103-F216 HydrophobicContact CE1-CB 4.45Å; F103-F216 HydrophobicContact CE2-CB 3.81Å; F103-F216 HydrophobicContact CE2-CD1 4.47Å; F103-F216 HydrophobicContact CZ-CB 3.61Å; F103-F216 HydrophobicContact CZ-CG 4.41Å; K104-F216 HydrophobicContact CB-CD1 4.23Å; K104-F216 HydrophobicContact CB-CE1 3.84Å; K104-F216 HydrophobicContact CB-CE2 4.49Å; K104-F216 HydrophobicContact CB-CZ 3.97Å; K104-F216 HydrophobicContact CD-CD1 4.24Å; K104-F216 HydrophobicContact CD-CD2 3.66Å; K104-F216 HydrophobicContact CD-CE1 4.32Å; K104-F216 HydrophobicContact CD-CE2 3.75Å; K104-F216 HydrophobicContact CD-CG 3.92Å; K104-F216 HydrophobicContact CD-CZ 4.08Å; K104-F216 HydrophobicContact CG-CD1 3.65Å; K104-F216 HydrophobicContact CG-CD2 4.02Å; K104-F216 HydrophobicContact CG-CE1 3.75Å; K104-F216 HydrophobicContact CG-CE2 4.1Å; K104-F216 HydrophobicContact CG-CG 3.79Å; K104-F216 HydrophobicContact CG-CZ 3.97Å; A107-F216 HydrophobicContact CB-CE1 4.21Å; I108-F216 HydrophobicContact CD1-CZ 4.1Å; I108-F216 HydrophobicContact CG1-CZ 4.18Å; A139-F216 HydrophobicContact CB-CE2 3.86Å; A139-F216 HydrophobicContact CB-CZ 4.47Å; P181-F216 WeakPolarHBondContact CD-O 3.36Å; P181-F216 HydrophobicContact CG-CB 4.44Å; P181-F216 WeakPolarHBondContact O-CA 3.49Å; P181-F216 WeakPolarHBondContact O-CB 3.39Å; P181-F216 PolarHBondContact O-N 3.47Å; T183-F216 HydrophobicContact CG2-CE2 3.79Å; T183-F216 HydrophobicContact CG2-CZ 3.62Å; I214-F216 HydrophobicContact CG2-CD1 4.47Å; I214-F216 HydrophobicContact CG2-CE1 3.68Å; I214-F216 HydrophobicContact CG2-CZ 4Å; F216-Q218 WeakPolarHBondContact O-CG 3.4Å; F216-Q218 PolarHBondContact O-N 3.05Å |
| 217 | M | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 120.2 | -177.2 | -66 | 175.2 | 57.5 | 0 | 0 | 110.7 | M44 F51 P178 V215 L230 P233 S234 D236 | M44-M217 HydrophobicContact CE-CE 3.83Å; M44-M217 HydrophobicContact CE-SD 4.24Å; F51-M217 HydrophobicContact CB-CE 3.62Å; F51-M217 HydrophobicContact CD1-CE 3.45Å; F51-M217 VanDerWaalsContact CD1-CE 3.45Å; F51-M217 HydrophobicContact CD1-SD 3.77Å; F51-M217 HydrophobicContact CD2-CE 3.47Å; F51-M217 VanDerWaalsContact CD2-CE 3.47Å; F51-M217 HydrophobicContact CD2-SD 4.06Å; F51-M217 HydrophobicContact CE1-CE 3.87Å; F51-M217 HydrophobicContact CE1-SD 3.54Å; F51-M217 VanDerWaalsContact CE1-SD 3.54Å; F51-M217 HydrophobicContact CE2-CE 3.89Å; F51-M217 HydrophobicContact CE2-SD 3.85Å; F51-M217 HydrophobicContact CG-CE 3.22Å; F51-M217 HydrophobicContact CG-SD 4.02Å; F51-M217 HydrophobicContact CZ-CE 4.07Å; F51-M217 HydrophobicContact CZ-SD 3.56Å; F51-M217 VanDerWaalsContact CZ-SD 3.56Å; P178-M217 HydrophobicContact CB-CE 3.13Å; P178-M217 HydrophobicContact CG-CE 4.17Å; V215-M217 HydrophobicContact CG1-CG 3.88Å; V215-M217 PolarHBondContact O-N 3.33Å; M217-L230 HydrophobicContact CB-CD1 3.81Å; M217-L230 HydrophobicContact CE-CD1 4.14Å; M217-P233 WeakPolarHBondContact O-CA 3.45Å; M217-S234 PolarHBondContact N-O 2.79Å; M217-S234 PolarHBondContact O-N 3.22Å; M217-D236 HydrophobicContact CG-CB 4.04Å; M217-D236 HydrophobicContact SD-CB 3.33Å; M217-D236 WeakPolarHBondContact SD-CB 3.13Å |
| 218 | Q | 94.5 | Very high | 92.6 | Very high | 53 Ų | 53 | 33.7 Ų | 33.7 | 25% | 0.248 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | -24.5 | -175.2 | -72.5 | 176.5 | -38.5 | 0 | 0 | 112.5 | F103 C179 F216 P229 L230 | F103-Q218 HydrophobicContact CE2-CG 4.44Å; F103-Q218 HydrophobicContact CZ-CG 3.74Å; C179-Q218 PolarHBondContact O-N 2.95Å; C179-Q218 VanDerWaalsContact O-N 3.08Å; F216-Q218 WeakPolarHBondContact O-CG 3.4Å; F216-Q218 PolarHBondContact O-N 3.05Å; Q218-P229 WeakPolarHBondContact O-CA 3.15Å; Q218-L230 PolarHBondContact O-N 2.72Å |
| 219 | F | 95 | Very high | 92.6 | Very high | 55 Ų | 55 | 37.8 Ų | 37.8 | 24% | 0.241 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 157.2 | -171 | -50.7 | -70 | 0 | 0 | 0 | 111.8 | F170 P178 C179 M227 E228 | F170-F219 HydrophobicContact CZ-CD2 4.22Å; P178-F219 CarbonylContact C-O 3.58Å; P178-F219 VanDerWaalsContact CA-O 3.28Å; P178-F219 WeakPolarHBondContact CA-O 3.38Å; C179-F219 PolarHBondContact N-O 3.17Å; C179-F219 PolarHBondContact O-N 3.05Å; F219-M227 HydrophobicContact CB-CB 4.29Å; F219-M227 HydrophobicContact CB-SD 4.02Å; F219-M227 HydrophobicContact CD1-CB 4.32Å; F219-M227 HydrophobicContact CG-CB 4.36Å; F219-E228 CarbonylContact C-O 3.53Å; F219-E228 WeakPolarHBondContact CA-O 3.27Å |
| 220 | N | 92.2 | Very high | 92.6 | Very high | 13 Ų | 13 | 37.7 Ų | 37.7 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 114.3 | 164 | 179.5 | 43.5 | 0 | 0 | 0 | 107.6 | L52 G177 Q222 E228 L230 | L52-N220 HydrophobicContact CD2-CB 3.95Å; G177-N220 WeakPolarHBondContact CA-OD1 3.44Å; G177-N220 PolarHBondContact O-OD1 3.35Å; N220-Q222 PolarHBondContact ND2-NE2 2.96Å; N220-E228 PolarHBondContact N-O 3.27Å; N220-E228 PolarHBondContact O-N 3.46Å; N220-L230 HydrophobicContact CB-CD2 3.92Å |
| 221 | R | 89.9 | Confident | 92.3 | Very high | 41 Ų | 41 | 40.1 Ų | 40.1 | 16% | 0.155 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 126.4 | 178.5 | -173.9 | -178.8 | -66.1 | -149.6 | 2.6 | 109.9 | Y165 Q172 D175 T176 G177 T226 M227 | Y165-R221 PolarHBondContact O-NH2 3.34Å; Q172-R221 VanDerWaalsContact OE1-NH2 3.07Å; D175-R221 VanDerWaalsContact O-CD 3.27Å; D175-R221 WeakPolarHBondContact O-CD 3.48Å; T176-R221 CarbonylContact C-O 3.6Å; T176-R221 VanDerWaalsContact CA-O 3.31Å; T176-R221 WeakPolarHBondContact CA-O 3.33Å; T176-R221 WeakPolarHBondContact CB-O 3.41Å; G177-R221 PolarHBondContact N-O 2.89Å; G177-R221 PolarHBondContact O-N 2.84Å; R221-T226 WeakPolarHBondContact CA-O 3.37Å; R221-M227 HydrophobicContact CB-CE 4.38Å; R221-M227 HydrophobicContact CB-SD 3.77Å; R221-M227 HydrophobicContact CG-CE 4.3Å; R221-M227 HydrophobicContact CG-SD 4.04Å |
| 222 | Q | 86.7 | Confident | 92.1 | Very high | 34 Ų | 34 | 45.8 Ų | 45.8 | 16% | 0.159 | 26% | 0.26 | C | S | . | . | trans | -87.3 | 164.9 | 175.1 | -55.5 | -58.5 | -27.2 | 0 | 0 | 111.1 | N220 D224 G225 T226 E228 | N220-Q222 PolarHBondContact ND2-NE2 2.96Å; Q222-D224 VanDerWaalsContact CB-OD1 3.26Å; Q222-D224 WeakPolarHBondContact CB-OD1 3.24Å; Q222-D224 PolarHBondContact O-N 3.26Å; Q222-G225 WeakPolarHBondContact O-CA 3.29Å; Q222-G225 PolarHBondContact O-N 3.33Å; Q222-T226 WeakPolarHBondContact CG-O 3.31Å; Q222-T226 PolarHBondContact N-O 3.33Å; Q222-E228 HydrophobicContact CG-CG 4.21Å; Q222-E228 PolarHBondContact NE2-OE2 2.85Å | ||
| 223 | A | 81 | Confident | 91.9 | Very high | 64 Ų | 64 | 49 Ų | 49 | 53% | 0.529 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -26.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T176 G225 | T176-A223 VanDerWaalsContact CG2-CA 3.49Å; T176-A223 HydrophobicContact CG2-CB 3.94Å; A223-G225 PolarHBondContact O-N 2.77Å |
| 224 | D | 83.2 | Confident | 91.9 | Very high | 126 Ų | 126 | 48.2 Ų | 48.2 | 67% | 0.674 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -0.4 | 174.8 | 69.2 | -10.7 | 0 | 0 | 0 | 113.2 | Q222 T226 | Q222-D224 VanDerWaalsContact CB-OD1 3.26Å; Q222-D224 WeakPolarHBondContact CB-OD1 3.24Å; Q222-D224 PolarHBondContact O-N 3.26Å; D224-T226 WeakPolarHBondContact OD1-CB 3.49Å; D224-T226 PolarHBondContact OD1-N 2.79Å; D224-T226 PolarHBondContact OD1-OG1 3.2Å; D224-T226 PolarHBondContact OD2-OG1 3.35Å |
| 225 | G | 84.6 | Confident | 91.9 | Very high | 45 Ų | 45 | 48.2 Ų | 48.2 | 46% | 0.464 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 87.9 | -2.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q222 A223 | Q222-G225 WeakPolarHBondContact O-CA 3.29Å; Q222-G225 PolarHBondContact O-N 3.33Å; A223-G225 PolarHBondContact O-N 2.77Å |
| 226 | T | 89.5 | Confident | 91.8 | Very high | 69 Ų | 69 | 48.3 Ų | 48.3 | 42% | 0.423 | 28% | 0.278 | S | S | . | . | trans | -61.8 | 137.9 | 176.2 | -61.9 | 0 | 0 | 0 | 0 | 110.7 | R221 Q222 D224 | R221-T226 WeakPolarHBondContact CA-O 3.37Å; Q222-T226 WeakPolarHBondContact CG-O 3.31Å; Q222-T226 PolarHBondContact N-O 3.33Å; D224-T226 WeakPolarHBondContact OD1-CB 3.49Å; D224-T226 PolarHBondContact OD1-N 2.79Å; D224-T226 PolarHBondContact OD1-OG1 3.2Å; D224-T226 PolarHBondContact OD2-OG1 3.35Å | ||
| 227 | M | 91.2 | Very high | 91.8 | Very high | 37 Ų | 37 | 48.4 Ų | 48.4 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 104.4 | 177.7 | -67.5 | -66.5 | -161.8 | 0 | 0 | 110.5 | Y165 F170 F219 R221 | Y165-M227 HydrophobicContact CD2-CE 3.57Å; Y165-M227 HydrophobicContact CD2-CG 4.42Å; Y165-M227 HydrophobicContact CE2-CE 4.16Å; Y165-M227 HydrophobicContact CE2-CG 4.11Å; Y165-M227 HydrophobicContact CG-CE 3.79Å; F170-M227 HydrophobicContact CE1-CE 4.13Å; F170-M227 HydrophobicContact CZ-CE 4.1Å; F219-M227 HydrophobicContact CB-CB 4.29Å; F219-M227 HydrophobicContact CB-SD 4.02Å; F219-M227 HydrophobicContact CD1-CB 4.32Å; F219-M227 HydrophobicContact CG-CB 4.36Å; R221-M227 HydrophobicContact CB-CE 4.38Å; R221-M227 HydrophobicContact CB-SD 3.77Å; R221-M227 HydrophobicContact CG-CE 4.3Å; R221-M227 HydrophobicContact CG-SD 4.04Å |
| 228 | E | 92.1 | Very high | 91.9 | Very high | 75 Ų | 75 | 49 Ų | 49 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 137.8 | 173.3 | -68.8 | -170.5 | 157.6 | 0 | 0 | 110.7 | F219 N220 Q222 L230 R451 | F219-E228 CarbonylContact C-O 3.53Å; F219-E228 WeakPolarHBondContact CA-O 3.27Å; N220-E228 PolarHBondContact N-O 3.27Å; N220-E228 PolarHBondContact O-N 3.46Å; Q222-E228 HydrophobicContact CG-CG 4.21Å; Q222-E228 PolarHBondContact NE2-OE2 2.85Å; E228-L230 PolarHBondContact O-N 2.96Å; E228-R451 IonicContact OE2-NH1 2.7Å; E228-R451 IonicContact OE2-NH2 3.91Å |
| 229 | P | 94.8 | Very high | 92 | Very high | 104 Ų | 104 | 46.5 Ų | 46.5 | 68% | 0.675 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 137.5 | 171.4 | -22.6 | 33.7 | 0 | 0 | 0 | 112 | Q218 | Q218-P229 WeakPolarHBondContact O-CA 3.15Å |
| 230 | L | 93.3 | Very high | 92.1 | Very high | 13 Ų | 13 | 44.5 Ų | 44.5 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 152.6 | 169.1 | -69 | 174.6 | 0 | 0 | 0 | 110.6 | L52 P178 M217 Q218 N220 E228 K232 | L52-L230 HydrophobicContact CD2-CD2 3.97Å; P178-L230 HydrophobicContact CB-CD1 4.42Å; P178-L230 HydrophobicContact CB-CD2 4.31Å; P178-L230 HydrophobicContact CG-CD2 4.49Å; M217-L230 HydrophobicContact CB-CD1 3.81Å; M217-L230 HydrophobicContact CE-CD1 4.14Å; Q218-L230 PolarHBondContact O-N 2.72Å; N220-L230 HydrophobicContact CB-CD2 3.92Å; E228-L230 PolarHBondContact O-N 2.96Å; L230-K232 PolarHBondContact O-N 2.73Å; L230-K232 VanDerWaalsContact O-N 3.11Å |
| 231 | P | 90.1 | Very high | 92.3 | Very high | 91 Ų | 91 | 43.9 Ų | 43.9 | 59% | 0.591 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.7 | -31.5 | 177.9 | -25.6 | 33.8 | 0 | 0 | 0 | 113.6 | ||
| 232 | K | 92.2 | Very high | 92.7 | Very high | 119 Ų | 119 | 42 Ų | 42 | 52% | 0.517 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 134.8 | 172.7 | -59.6 | -176.9 | -175.7 | 178.7 | 0 | 110 | L230 S234 | L230-K232 PolarHBondContact O-N 2.73Å; L230-K232 VanDerWaalsContact O-N 3.11Å; K232-S234 PolarHBondContact O-N 3.48Å; K232-S234 PolarHBondContact O-OG 3.18Å |
| 233 | P | 93.9 | Very high | 93.1 | Very high | 69 Ų | 69 | 42.5 Ų | 42.5 | 45% | 0.448 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 133.5 | 167.3 | -22.6 | 33 | 0 | 0 | 0 | 110.2 | G100 F103 M217 | G100-P233 VanDerWaalsContact CA-O 3.28Å; G100-P233 WeakPolarHBondContact CA-O 3.36Å; F103-P233 HydrophobicContact CD1-CB 4.49Å; F103-P233 HydrophobicContact CD2-CB 3.88Å; F103-P233 HydrophobicContact CE1-CB 4.3Å; F103-P233 HydrophobicContact CE2-CB 3.66Å; F103-P233 HydrophobicContact CG-CB 4.31Å; F103-P233 HydrophobicContact CZ-CB 3.89Å; M217-P233 WeakPolarHBondContact O-CA 3.45Å |
| 234 | S | 96.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 160.6 | -169 | -67.6 | 0 | 0 | 0 | 0 | 110.9 | S98 G100 F103 M217 K232 | S98-S234 VanDerWaalsContact O-CA 3.25Å; S98-S234 WeakPolarHBondContact O-CA 3.25Å; S98-S234 WeakPolarHBondContact O-CB 3.44Å; S98-S234 PolarHBondContact O-OG 2.92Å; G100-S234 PolarHBondContact N-OG 3.37Å; F103-S234 WeakPolarHBondContact CE2-O 3.4Å; M217-S234 PolarHBondContact N-O 2.79Å; M217-S234 PolarHBondContact O-N 3.22Å; K232-S234 PolarHBondContact O-N 3.48Å; K232-S234 PolarHBondContact O-OG 3.18Å |
| 235 | V | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133.1 | 175.4 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | F97 S98 Y102 F103 A107 I214 V215 T237 | F97-V235 CarbonylContact C-O 3.54Å; F97-V235 VanDerWaalsContact CA-O 3.25Å; F97-V235 WeakPolarHBondContact CA-O 2.76Å; S98-V235 PolarHBondContact N-O 2.94Å; S98-V235 PolarHBondContact O-N 3.4Å; Y102-V235 HydrophobicContact CD2-CG2 4.08Å; Y102-V235 HydrophobicContact CE2-CB 4.15Å; Y102-V235 HydrophobicContact CE2-CG1 4.32Å; Y102-V235 HydrophobicContact CE2-CG2 3.94Å; F103-V235 HydrophobicContact CD2-CG2 4.08Å; A107-V235 HydrophobicContact CB-CG1 3.88Å; A107-V235 HydrophobicContact CB-CG2 4.06Å; I214-V235 HydrophobicContact CG2-CG1 4.41Å; V215-V235 WeakPolarHBondContact O-CA 3.47Å; V235-T237 HydrophobicContact CG1-CG2 3.82Å |
| 236 | D | 96.6 | Very high | 95.1 | Very high | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.027 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 143.1 | 165.8 | 166.8 | 36.3 | 0 | 0 | 0 | 107.9 | M44 F51 F97 V215 M217 | M44-D236 HydrophobicContact CB-CB 4.4Å; M44-D236 VanDerWaalsContact CB-CG 3.5Å; M44-D236 WeakPolarHBondContact CB-OD1 3.49Å; M44-D236 WeakPolarHBondContact CB-OD2 3.43Å; M44-D236 WeakPolarHBondContact CG-OD2 3.36Å; F51-D236 HydrophobicContact CZ-CB 4.22Å; F97-D236 HydrophobicContact CD1-CB 4.34Å; F97-D236 WeakPolarHBondContact CD1-OD1 3.39Å; F97-D236 WeakPolarHBondContact CE1-OD1 3.24Å; V215-D236 WeakPolarHBondContact CA-O 3.43Å; V215-D236 HydrophobicContact CB-CB 4.24Å; V215-D236 WeakPolarHBondContact CB-O 3.39Å; V215-D236 PolarHBondContact N-O 3.08Å; V215-D236 PolarHBondContact O-N 3.22Å; M217-D236 HydrophobicContact CG-CB 4.04Å; M217-D236 HydrophobicContact SD-CB 3.33Å; M217-D236 WeakPolarHBondContact SD-CB 3.13Å |
| 237 | T | 97.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 151 | 174.6 | 82.9 | 0 | 0 | 0 | 0 | 111.5 | G95 N96 W212 N213 I214 V235 | G95-T237 WeakPolarHBondContact CA-O 3.32Å; N96-T237 PolarHBondContact N-OG1 3.1Å; N96-T237 PolarHBondContact O-N 3.37Å; N96-T237 WeakPolarHBondContact OD1-CB 3.3Å; N96-T237 WeakPolarHBondContact OD1-CG2 3.45Å; N96-T237 PolarHBondContact OD1-OG1 3.44Å; W212-T237 VanDerWaalsContact NE1-CB 3.26Å; W212-T237 PolarHBondContact NE1-OG1 3.21Å; N213-T237 CarbonylContact O-C 3.59Å; N213-T237 VanDerWaalsContact O-CA 3.24Å; N213-T237 WeakPolarHBondContact O-CA 3.44Å; N213-T237 WeakPolarHBondContact O-CB 3.45Å; I214-T237 HydrophobicContact CB-CG2 4.39Å; I214-T237 HydrophobicContact CG1-CG2 4.36Å; I214-T237 HydrophobicContact CG2-CG2 4.07Å; V235-T237 HydrophobicContact CG1-CG2 3.82Å |
| 238 | G | 96.8 | Very high | 95.6 | Very high | 13 Ų | 13 | 27.3 Ų | 27.3 | 13% | 0.134 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 112 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | N213 | N213-G238 PolarHBondContact N-O 3.25Å; N213-G238 PolarHBondContact O-N 3.44Å |
| 239 | M | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 120 | 168.3 | 166.5 | 160.7 | 75.3 | 0 | 0 | 109.1 | F12 L94 L114 F121 I211 W212 L241 I244 | F12-M239 HydrophobicContact CD2-CE 3.23Å; F12-M239 HydrophobicContact CE2-CE 3.53Å; F12-M239 HydrophobicContact CG-CE 4.28Å; L94-M239 HydrophobicContact CB-CB 4.21Å; L94-M239 HydrophobicContact CB-CE 4.28Å; L94-M239 WeakPolarHBondContact CB-O 3.24Å; L94-M239 HydrophobicContact CD1-CE 3.6Å; L94-M239 HydrophobicContact CD1-CG 4.33Å; L94-M239 PolarHBondContact N-O 3.48Å; L94-M239 PolarHBondContact O-N 3.07Å; L114-M239 HydrophobicContact CD2-CE 4.17Å; F121-M239 HydrophobicContact CE2-CE 3.81Å; F121-M239 HydrophobicContact CE2-SD 4.32Å; F121-M239 HydrophobicContact CZ-CE 4.28Å; I211-M239 WeakPolarHBondContact O-CA 3.47Å; I211-M239 WeakPolarHBondContact O-CB 3.49Å; I211-M239 WeakPolarHBondContact O-CG 3.46Å; W212-M239 HydrophobicContact CB-CB 4.27Å; W212-M239 HydrophobicContact CD2-CB 4.26Å; W212-M239 HydrophobicContact CD2-SD 4.34Å; W212-M239 HydrophobicContact CE3-SD 4.3Å; W212-M239 HydrophobicContact CG-CB 3.85Å; M239-L241 PolarHBondContact O-N 2.99Å; M239-I244 HydrophobicContact CE-CG2 4.38Å; M239-I244 HydrophobicContact CG-CB 4.1Å; M239-I244 HydrophobicContact CG-CG2 3.99Å; M239-I244 HydrophobicContact SD-CB 3.84Å; M239-I244 HydrophobicContact SD-CD1 4.24Å; M239-I244 HydrophobicContact SD-CG1 3.78Å; M239-I244 HydrophobicContact SD-CG2 4.01Å |
| 240 | G | 96.1 | Very high | 95.8 | Very high | 13 Ų | 13 | 27.4 Ų | 27.4 | 13% | 0.134 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 116.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E242 R243 I244 | G240-E242 VanDerWaalsContact C-N 3.28Å; G240-E242 PolarHBondContact O-N 3.49Å; G240-R243 PolarHBondContact O-N 2.87Å; G240-R243 VanDerWaalsContact O-N 3.07Å; G240-I244 PolarHBondContact O-N 3.36Å |
| 241 | L | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.3 | -44.4 | -177.4 | 175.1 | 60.6 | 0 | 0 | 0 | 111.7 | T5 I8 R9 E92 L94 M239 R243 I244 A245 | T5-L241 HydrophobicContact CG2-CD1 4.08Å; T5-L241 HydrophobicContact CG2-CD2 3.75Å; T5-L241 HydrophobicContact CG2-CG 3.77Å; I8-L241 HydrophobicContact CB-CD1 4.41Å; I8-L241 HydrophobicContact CG2-CD1 4.03Å; R9-L241 HydrophobicContact CB-CD1 3.99Å; R9-L241 HydrophobicContact CB-CD2 4.16Å; R9-L241 HydrophobicContact CG-CD2 4.4Å; E92-L241 HydrophobicContact CB-CB 3.88Å; E92-L241 HydrophobicContact CB-CD2 3.78Å; E92-L241 HydrophobicContact CB-CG 4.49Å; E92-L241 HydrophobicContact CG-CD2 4.33Å; E92-L241 WeakPolarHBondContact O-CB 3.24Å; E92-L241 PolarHBondContact O-N 3.39Å; L94-L241 HydrophobicContact CD1-CB 4.31Å; L94-L241 HydrophobicContact CD1-CD1 3.87Å; L94-L241 HydrophobicContact CD2-CD1 4.44Å; L94-L241 HydrophobicContact CG-CB 4.17Å; L94-L241 HydrophobicContact CG-CD1 4.37Å; M239-L241 PolarHBondContact O-N 2.99Å; L241-R243 VanDerWaalsContact C-N 3.31Å; L241-R243 PolarHBondContact O-N 3.3Å; L241-I244 VanDerWaalsContact O-CG2 3.24Å; L241-I244 WeakPolarHBondContact O-CG2 3.4Å; L241-A245 WeakPolarHBondContact O-CB 3.35Å; L241-A245 PolarHBondContact O-N 2.94Å |
| 242 | E | 96.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 26 Ų | 26 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.9 | -35.3 | -179.1 | -65.8 | 79.1 | 175.7 | 0 | 0 | 111.8 | F91 E92 G240 A246 N254 I257 F260 R289 | F91-E242 VanDerWaalsContact CA-OE1 3.3Å; F91-E242 WeakPolarHBondContact CA-OE1 3.37Å; F91-E242 WeakPolarHBondContact CB-OE2 3.37Å; E92-E242 PolarHBondContact N-OE1 2.74Å; E92-E242 PolarHBondContact N-OE2 3.24Å; G240-E242 VanDerWaalsContact C-N 3.28Å; G240-E242 PolarHBondContact O-N 3.49Å; E242-A246 PolarHBondContact O-N 3.46Å; E242-N254 HydrophobicContact CB-CB 4.24Å; E242-N254 PolarHBondContact O-OD1 3.19Å; E242-I257 HydrophobicContact CB-CD1 4.1Å; E242-I257 HydrophobicContact CG-CD1 4.08Å; E242-F260 HydrophobicContact CG-CE2 4.14Å; E242-R289 IonicContact OE1-CZ 2.78Å; E242-R289 IonicContact OE1-NH1 3.14Å; E242-R289 PolarHBondContact OE1-NH1 2.93Å; E242-R289 VanDerWaalsContact OE1-NH1 3.13Å; E242-R289 IonicContact OE1-NH2 3.52Å; E242-R289 PolarHBondContact OE1-NH2 2.81Å |
| 243 | R | 95.2 | Very high | 95.9 | Very high | 43 Ų | 43 | 20.9 Ų | 20.9 | 16% | 0.162 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.5 | -49.4 | 178.7 | -65.9 | -172.6 | -172.2 | 173.4 | 4.6 | 111 | E210 G240 L241 A245 A246 V247 N254 | E210-R243 VanDerWaalsContact O-CD 3.28Å; E210-R243 WeakPolarHBondContact O-CD 3.43Å; E210-R243 PolarHBondContact O-NH1 2.88Å; E210-R243 IonicContact OE2-CZ 2.67Å; E210-R243 IonicContact OE2-NH1 2.77Å; E210-R243 PolarHBondContact OE2-NH1 2.66Å; G240-R243 PolarHBondContact O-N 2.87Å; G240-R243 VanDerWaalsContact O-N 3.07Å; L241-R243 VanDerWaalsContact C-N 3.31Å; L241-R243 PolarHBondContact O-N 3.3Å; R243-A245 PolarHBondContact O-N 2.69Å; R243-A246 WeakPolarHBondContact O-CB 3.47Å; R243-A246 PolarHBondContact O-N 3.4Å; R243-A246 VanDerWaalsContact O-N 3.15Å; R243-V247 PolarHBondContact O-N 3.18Å; R243-N254 WeakPolarHBondContact CA-OD1 3.48Å |
| 244 | I | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66 | -31.3 | 177.3 | -169.7 | 61.2 | 0 | 0 | 0 | 111.5 | I8 L94 L115 F121 L123 I211 M239 G240 L241 V247 L248 | I8-I244 HydrophobicContact CG2-CG2 3.93Å; L94-I244 HydrophobicContact CD1-CG2 4.27Å; L115-I244 HydrophobicContact CD2-CD1 4.21Å; F121-I244 HydrophobicContact CD2-CD1 4.12Å; F121-I244 HydrophobicContact CD2-CG1 4.02Å; F121-I244 HydrophobicContact CE2-CD1 4.26Å; F121-I244 HydrophobicContact CE2-CG1 3.7Å; F121-I244 HydrophobicContact CZ-CG1 4.46Å; L123-I244 HydrophobicContact CD1-CD1 4.1Å; I211-I244 HydrophobicContact CD1-CD1 4.24Å; M239-I244 HydrophobicContact CE-CG2 4.38Å; M239-I244 HydrophobicContact CG-CB 4.1Å; M239-I244 HydrophobicContact CG-CG2 3.99Å; M239-I244 HydrophobicContact SD-CB 3.84Å; M239-I244 HydrophobicContact SD-CD1 4.24Å; M239-I244 HydrophobicContact SD-CG1 3.78Å; M239-I244 HydrophobicContact SD-CG2 4.01Å; G240-I244 PolarHBondContact O-N 3.36Å; L241-I244 VanDerWaalsContact O-CG2 3.24Å; L241-I244 WeakPolarHBondContact O-CG2 3.4Å; I244-V247 PolarHBondContact O-N 3.36Å; I244-L248 HydrophobicContact CD1-CD1 4.44Å; I244-L248 HydrophobicContact CD1-CG 4.46Å; I244-L248 HydrophobicContact CG1-CD1 3.98Å; I244-L248 HydrophobicContact CG1-CG 4.43Å; I244-L248 WeakPolarHBondContact O-CB 3.32Å; I244-L248 WeakPolarHBondContact O-CG 3.37Å; I244-L248 PolarHBondContact O-N 3.07Å |
| 245 | A | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T5 I8 L241 R243 V247 L248 Q249 I257 | T5-A245 HydrophobicContact CG2-CB 4.45Å; I8-A245 HydrophobicContact CD1-CB 3.95Å; L241-A245 WeakPolarHBondContact O-CB 3.35Å; L241-A245 PolarHBondContact O-N 2.94Å; R243-A245 PolarHBondContact O-N 2.69Å; A245-V247 VanDerWaalsContact C-N 3.33Å; A245-V247 PolarHBondContact O-N 3.44Å; A245-L248 PolarHBondContact O-N 3.47Å; A245-Q249 VanDerWaalsContact O-CB 3.22Å; A245-Q249 WeakPolarHBondContact O-CB 3.49Å; A245-Q249 WeakPolarHBondContact O-CG 3.4Å; A245-Q249 PolarHBondContact O-N 3.17Å; A245-I257 HydrophobicContact CB-CD1 4.26Å; A245-I257 HydrophobicContact CB-CG2 4.11Å |
| 246 | A | 96.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 3% | 0.025 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.3 | -46.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E242 R243 Q249 H250 V251 I257 | E242-A246 PolarHBondContact O-N 3.46Å; R243-A246 WeakPolarHBondContact O-CB 3.47Å; R243-A246 PolarHBondContact O-N 3.4Å; R243-A246 VanDerWaalsContact O-N 3.15Å; A246-Q249 PolarHBondContact O-N 3.18Å; A246-H250 PolarHBondContact O-N 3.11Å; A246-H250 VanDerWaalsContact O-N 3.1Å; A246-V251 CarbonylContact C-O 3.47Å; A246-V251 HydrophobicContact CB-CG2 3.94Å; A246-V251 PolarHBondContact O-N 3.1Å; A246-I257 HydrophobicContact CB-CG2 3.96Å |
| 247 | V | 96.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 2% | 0.018 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.9 | -51.1 | 176.3 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | L123 Y187 I211 R243 I244 A245 Q249 H250 | L123-V247 HydrophobicContact CD1-CG1 4.23Å; L123-V247 HydrophobicContact CD2-CG1 3.64Å; Y187-V247 HydrophobicContact CD1-CG1 3.87Å; Y187-V247 HydrophobicContact CD1-CG2 3.92Å; Y187-V247 HydrophobicContact CD2-CG1 3.71Å; Y187-V247 HydrophobicContact CE1-CG1 3.89Å; Y187-V247 HydrophobicContact CE2-CG1 3.72Å; Y187-V247 HydrophobicContact CG-CG1 3.79Å; Y187-V247 HydrophobicContact CG-CG2 4.01Å; I211-V247 HydrophobicContact CG2-CG2 3.98Å; R243-V247 PolarHBondContact O-N 3.18Å; I244-V247 PolarHBondContact O-N 3.36Å; A245-V247 VanDerWaalsContact C-N 3.33Å; A245-V247 PolarHBondContact O-N 3.44Å; V247-Q249 VanDerWaalsContact C-N 3.27Å; V247-Q249 PolarHBondContact O-N 2.86Å; V247-H250 PolarHBondContact O-N 3.3Å; V247-H250 VanDerWaalsContact O-N 3.1Å |
| 248 | L | 96.7 | Very high | 95.7 | Very high | 16 Ų | 16 | 23 Ų | 23 | 8% | 0.084 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -71.5 | -19.8 | -176.7 | -73.3 | 173.2 | 0 | 0 | 0 | 114.3 | S2 I8 F121 L123 I244 A245 | S2-L248 WeakPolarHBondContact CB-O 3.19Å; I8-L248 HydrophobicContact CD1-CB 3.8Å; I8-L248 HydrophobicContact CD1-CD1 3.75Å; I8-L248 HydrophobicContact CD1-CG 4.43Å; I8-L248 HydrophobicContact CG1-CD1 3.79Å; I8-L248 HydrophobicContact CG2-CD1 3.98Å; F121-L248 HydrophobicContact CB-CD1 4.28Å; F121-L248 HydrophobicContact CB-CD2 3.95Å; F121-L248 HydrophobicContact CD1-CD1 3.74Å; F121-L248 HydrophobicContact CD2-CD1 4.04Å; F121-L248 HydrophobicContact CE1-CD1 4.02Å; F121-L248 HydrophobicContact CE2-CD1 4.32Å; F121-L248 HydrophobicContact CG-CD1 3.76Å; F121-L248 HydrophobicContact CG-CD2 4.35Å; F121-L248 HydrophobicContact CZ-CD1 4.31Å; F121-L248 WeakPolarHBondContact O-CD2 3.11Å; L123-L248 HydrophobicContact CD2-CD2 3.59Å; L123-L248 HydrophobicContact CD2-CG 4.35Å; L123-L248 HydrophobicContact CG-CD2 4.39Å; I244-L248 HydrophobicContact CD1-CD1 4.44Å; I244-L248 HydrophobicContact CD1-CG 4.46Å; I244-L248 HydrophobicContact CG1-CD1 3.98Å; I244-L248 HydrophobicContact CG1-CG 4.43Å; I244-L248 WeakPolarHBondContact O-CB 3.32Å; I244-L248 WeakPolarHBondContact O-CG 3.37Å; I244-L248 PolarHBondContact O-N 3.07Å; A245-L248 PolarHBondContact O-N 3.47Å |
| 249 | Q | 96.8 | Very high | 95.6 | Very high | 23 Ų | 23 | 22.7 Ų | 22.7 | 11% | 0.107 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 3.7 | 173.7 | -62.4 | 179 | 22.4 | 0 | 0 | 112.7 | K3 T5 A245 A246 V247 V251 I257 D258 | K3-Q249 WeakPolarHBondContact O-CG 3.18Å; K3-Q249 PolarHBondContact O-NE2 3.16Å; T5-Q249 PolarHBondContact OG1-NE2 3.14Å; A245-Q249 VanDerWaalsContact O-CB 3.22Å; A245-Q249 WeakPolarHBondContact O-CB 3.49Å; A245-Q249 WeakPolarHBondContact O-CG 3.4Å; A245-Q249 PolarHBondContact O-N 3.17Å; A246-Q249 PolarHBondContact O-N 3.18Å; V247-Q249 VanDerWaalsContact C-N 3.27Å; V247-Q249 PolarHBondContact O-N 2.86Å; Q249-V251 HydrophobicContact CB-CG2 4.49Å; Q249-V251 PolarHBondContact O-N 3.24Å; Q249-I257 VanDerWaalsContact OE1-CA 3.25Å; Q249-D258 PolarHBondContact NE2-OD1 2.93Å; Q249-D258 PolarHBondContact OE1-OD1 3.34Å |
| 250 | H | 94.2 | Very high | 95.5 | Very high | 159 Ų | 159 | 22.7 Ų | 22.7 | 74% | 0.736 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 43.1 | 177.3 | -49 | -59.7 | 0 | 0 | 0 | 113.3 | A246 V247 | A246-H250 PolarHBondContact O-N 3.11Å; A246-H250 VanDerWaalsContact O-N 3.1Å; V247-H250 PolarHBondContact O-N 3.3Å; V247-H250 VanDerWaalsContact O-N 3.1Å |
| 251 | V | 93.7 | Very high | 95.5 | Very high | 20 Ų | 20 | 28 Ų | 28 | 12% | 0.121 | 13% | 0.133 | C | C | . | . | trans | -122.7 | 153.3 | 174.1 | -61.7 | 0 | 0 | 0 | 0 | 110.5 | A246 Q249 D256 I257 | A246-V251 CarbonylContact C-O 3.47Å; A246-V251 HydrophobicContact CB-CG2 3.94Å; A246-V251 PolarHBondContact O-N 3.1Å; Q249-V251 HydrophobicContact CB-CG2 4.49Å; Q249-V251 PolarHBondContact O-N 3.24Å; V251-D256 HydrophobicContact CB-CB 3.78Å; V251-D256 HydrophobicContact CG1-CB 3.96Å; V251-D256 HydrophobicContact CG2-CB 3.96Å; V251-I257 HydrophobicContact CG2-CG2 4.02Å | ||
| 252 | N | 90 | Very high | 95.5 | Very high | 55 Ų | 55 | 31.4 Ų | 31.4 | 29% | 0.294 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -93.3 | -17.7 | -178.1 | -166.9 | 50.4 | 0 | 0 | 0 | 113.8 | I193 | I193-N252 HydrophobicContact CD1-CB 3.97Å; I193-N252 WeakPolarHBondContact CD1-OD1 3.41Å |
| 253 | S | 92.7 | Very high | 95.5 | Very high | 11 Ų | 11 | 31.3 Ų | 31.3 | 8% | 0.077 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -112.5 | 138.4 | 176.9 | -174.5 | 0 | 0 | 0 | 0 | 111 | A85 Y255 D256 | A85-S253 PolarHBondContact O-OG 2.96Å; S253-Y255 PolarHBondContact O-N 3.14Å; S253-Y255 VanDerWaalsContact O-N 3.17Å; S253-Y255 WeakPolarHBondContact OG-CD2 3.27Å; S253-Y255 PolarHBondContact OG-N 3.05Å; S253-D256 WeakPolarHBondContact CB-OD2 3.14Å; S253-D256 WeakPolarHBondContact O-CB 3.23Å; S253-D256 PolarHBondContact O-N 3.11Å |
| 254 | N | 94.8 | Very high | 95.6 | Very high | 6 Ų | 6 | 30 Ų | 30 | 3% | 0.032 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -57.2 | -29.1 | 169.9 | -67.6 | -6.1 | 0 | 0 | 0 | 111.4 | A85 R86 H88 E242 R243 D256 I257 F260 | A85-N254 WeakPolarHBondContact O-CB 3.36Å; A85-N254 PolarHBondContact O-N 3Å; R86-N254 WeakPolarHBondContact CA-ND2 3.13Å; R86-N254 PolarHBondContact O-ND2 3.5Å; H88-N254 VanDerWaalsContact CE1-CB 3.47Å; H88-N254 WeakPolarHBondContact CE1-CB 3.29Å; H88-N254 VanDerWaalsContact NE2-CB 3.26Å; H88-N254 WeakPolarHBondContact NE2-CB 3.38Å; H88-N254 PolarHBondContact NE2-ND2 2.72Å; E242-N254 HydrophobicContact CB-CB 4.24Å; E242-N254 PolarHBondContact O-OD1 3.19Å; R243-N254 WeakPolarHBondContact CA-OD1 3.48Å; N254-D256 PolarHBondContact O-N 3.12Å; N254-I257 VanDerWaalsContact O-CG1 3.23Å; N254-I257 WeakPolarHBondContact O-CG1 3.3Å; N254-I257 PolarHBondContact O-N 2.8Å; N254-F260 WeakPolarHBondContact O-CD2 3.44Å |
| 255 | Y | 95.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -72.5 | -10.7 | 177.8 | -60.3 | -64.7 | 0 | 0 | 0 | 114 | G82 T84 H87 H88 S253 F260 R282 D286 | G82-Y255 PolarHBondContact N-OH 3.28Å; T84-Y255 VanDerWaalsContact O-CE2 3.29Å; T84-Y255 WeakPolarHBondContact O-CE2 3.24Å; H87-Y255 PolarHBondContact O-OH 2.91Å; H88-Y255 AromaticContact CE1-CE1 3.91Å; H88-Y255 AromaticContact ND1-CE1 3.89Å; H88-Y255 AromaticContact ND1-CZ 3.92Å; S253-Y255 PolarHBondContact O-N 3.14Å; S253-Y255 VanDerWaalsContact O-N 3.17Å; S253-Y255 WeakPolarHBondContact OG-CD2 3.27Å; S253-Y255 PolarHBondContact OG-N 3.05Å; Y255-F260 AromaticContact CD1-CD1 3.73Å; Y255-F260 HydrophobicContact CD1-CD1 3.73Å; Y255-F260 HydrophobicContact CD1-CD2 4.38Å; Y255-F260 AromaticContact CD1-CE1 3.76Å; Y255-F260 HydrophobicContact CD1-CE1 3.76Å; Y255-F260 HydrophobicContact CD1-CE2 4.39Å; Y255-F260 HydrophobicContact CD1-CG 4.04Å; Y255-F260 HydrophobicContact CD1-CZ 4.09Å; Y255-F260 HydrophobicContact CE1-CD1 4.26Å; Y255-F260 AromaticContact CE1-CE1 3.8Å; Y255-F260 HydrophobicContact CE1-CE1 3.8Å; Y255-F260 AromaticContact CE1-CZ 3.95Å; Y255-F260 HydrophobicContact CE1-CZ 3.95Å; Y255-F260 VanDerWaalsContact O-CB 3.3Å; Y255-F260 WeakPolarHBondContact O-CB 3.38Å; Y255-R282 HydrophobicContact CD1-CB 3.78Å; Y255-R282 HydrophobicContact CD1-CG 4.07Å; Y255-R282 HydrophobicContact CD2-CB 4.27Å; Y255-R282 HydrophobicContact CD2-CG 4.17Å; Y255-R282 HydrophobicContact CE1-CB 3.88Å; Y255-R282 HydrophobicContact CE2-CB 4.3Å; Y255-R282 HydrophobicContact CG-CB 4Å; Y255-R282 HydrophobicContact CG-CG 3.84Å; Y255-D286 HydrophobicContact CE1-CB 4.49Å |
| 256 | D | 95.3 | Very high | 95.6 | Very high | 62 Ų | 62 | 36.4 Ų | 36.4 | 33% | 0.332 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -97 | 2.7 | 178.4 | -66.7 | -41.6 | 0 | 0 | 0 | 113 | V251 S253 N254 R261 | V251-D256 HydrophobicContact CB-CB 3.78Å; V251-D256 HydrophobicContact CG1-CB 3.96Å; V251-D256 HydrophobicContact CG2-CB 3.96Å; S253-D256 WeakPolarHBondContact CB-OD2 3.14Å; S253-D256 WeakPolarHBondContact O-CB 3.23Å; S253-D256 PolarHBondContact O-N 3.11Å; N254-D256 PolarHBondContact O-N 3.12Å; D256-R261 WeakPolarHBondContact O-CD 3.15Å; D256-R261 PolarHBondContact O-NE 2.86Å; D256-R261 PolarHBondContact O-NH2 3.14Å |
| 257 | I | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -73.4 | 159.9 | 173.9 | 75.3 | -170.1 | 0 | 0 | 0 | 111.2 | E242 A245 A246 Q249 V251 N254 L259 F260 R261 | E242-I257 HydrophobicContact CB-CD1 4.1Å; E242-I257 HydrophobicContact CG-CD1 4.08Å; A245-I257 HydrophobicContact CB-CD1 4.26Å; A245-I257 HydrophobicContact CB-CG2 4.11Å; A246-I257 HydrophobicContact CB-CG2 3.96Å; Q249-I257 VanDerWaalsContact OE1-CA 3.25Å; V251-I257 HydrophobicContact CG2-CG2 4.02Å; N254-I257 VanDerWaalsContact O-CG1 3.23Å; N254-I257 WeakPolarHBondContact O-CG1 3.3Å; N254-I257 PolarHBondContact O-N 2.8Å; I257-L259 VanDerWaalsContact C-N 3.3Å; I257-L259 HydrophobicContact CD1-CB 4.33Å; I257-L259 HydrophobicContact CG1-CB 4.19Å; I257-L259 PolarHBondContact O-N 3.02Å; I257-F260 HydrophobicContact CD1-CD2 3.85Å; I257-F260 HydrophobicContact CD1-CE2 4.48Å; I257-F260 HydrophobicContact CG1-CB 4.27Å; I257-F260 HydrophobicContact CG1-CD2 3.96Å; I257-F260 PolarHBondContact O-N 3.42Å; I257-F260 VanDerWaalsContact O-N 3.17Å; I257-R261 WeakPolarHBondContact O-CB 3.42Å; I257-R261 WeakPolarHBondContact O-CG 3.4Å; I257-R261 PolarHBondContact O-N 2.88Å |
| 258 | D | 96 | Very high | 95.7 | Very high | 52 Ų | 52 | 36.5 Ų | 36.5 | 28% | 0.278 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -46.7 | -45.7 | 178.2 | 64.2 | -31.7 | 0 | 0 | 0 | 114.5 | S4 T5 Q249 T262 | S4-D258 VanDerWaalsContact CA-OD2 3.24Å; S4-D258 WeakPolarHBondContact CA-OD2 3.3Å; S4-D258 WeakPolarHBondContact CB-OD2 3.36Å; T5-D258 WeakPolarHBondContact CB-OD1 3.46Å; T5-D258 PolarHBondContact N-OD1 3.11Å; T5-D258 PolarHBondContact N-OD2 2.85Å; T5-D258 PolarHBondContact OG1-OD1 3.28Å; Q249-D258 PolarHBondContact NE2-OD1 2.93Å; Q249-D258 PolarHBondContact OE1-OD1 3.34Å; D258-T262 PolarHBondContact O-N 3.49Å; D258-T262 PolarHBondContact O-OG1 3.04Å |
| 259 | L | 95.1 | Very high | 95.7 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -54.3 | 178 | -177.8 | 153.7 | 0 | 0 | 0 | 111.4 | T5 I257 T262 L263 V341 M342 | T5-L259 HydrophobicContact CG2-CD1 4.46Å; I257-L259 VanDerWaalsContact C-N 3.3Å; I257-L259 HydrophobicContact CD1-CB 4.33Å; I257-L259 HydrophobicContact CG1-CB 4.19Å; I257-L259 PolarHBondContact O-N 3.02Å; L259-T262 PolarHBondContact O-N 2.75Å; L259-L263 WeakPolarHBondContact O-CB 3.45Å; L259-L263 PolarHBondContact O-N 3.17Å; L259-L263 VanDerWaalsContact O-N 3.08Å; L259-V341 HydrophobicContact CD1-CG2 4.45Å; L259-V341 HydrophobicContact CD2-CG2 4.42Å; L259-V341 HydrophobicContact CG-CB 4.09Å; L259-V341 HydrophobicContact CG-CG2 3.93Å; L259-M342 HydrophobicContact CD1-SD 4.05Å |
| 260 | F | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.8 | -36.6 | -177.3 | -86.7 | -72.1 | 0 | 0 | 0 | 112.4 | H88 E242 N254 Y255 I257 T262 L263 I264 A285 D286 R289 | H88-F260 AromaticContact CE1-CE2 3.5Å; H88-F260 AromaticContact CE1-CZ 3.6Å; H88-F260 AromaticContact ND1-CZ 3.7Å; H88-F260 AromaticContact NE2-CE2 3.97Å; E242-F260 HydrophobicContact CG-CE2 4.14Å; N254-F260 WeakPolarHBondContact O-CD2 3.44Å; Y255-F260 AromaticContact CD1-CD1 3.73Å; Y255-F260 HydrophobicContact CD1-CD1 3.73Å; Y255-F260 HydrophobicContact CD1-CD2 4.38Å; Y255-F260 AromaticContact CD1-CE1 3.76Å; Y255-F260 HydrophobicContact CD1-CE1 3.76Å; Y255-F260 HydrophobicContact CD1-CE2 4.39Å; Y255-F260 HydrophobicContact CD1-CG 4.04Å; Y255-F260 HydrophobicContact CD1-CZ 4.09Å; Y255-F260 HydrophobicContact CE1-CD1 4.26Å; Y255-F260 AromaticContact CE1-CE1 3.8Å; Y255-F260 HydrophobicContact CE1-CE1 3.8Å; Y255-F260 AromaticContact CE1-CZ 3.95Å; Y255-F260 HydrophobicContact CE1-CZ 3.95Å; Y255-F260 VanDerWaalsContact O-CB 3.3Å; Y255-F260 WeakPolarHBondContact O-CB 3.38Å; I257-F260 HydrophobicContact CD1-CD2 3.85Å; I257-F260 HydrophobicContact CD1-CE2 4.48Å; I257-F260 HydrophobicContact CG1-CB 4.27Å; I257-F260 HydrophobicContact CG1-CD2 3.96Å; I257-F260 PolarHBondContact O-N 3.42Å; I257-F260 VanDerWaalsContact O-N 3.17Å; F260-T262 VanDerWaalsContact C-N 3.32Å; F260-T262 PolarHBondContact O-N 2.86Å; F260-L263 PolarHBondContact O-N 2.85Å; F260-I264 HydrophobicContact CB-CD1 4.31Å; F260-I264 WeakPolarHBondContact O-CB 3.37Å; F260-I264 WeakPolarHBondContact O-CD1 3.35Å; F260-I264 WeakPolarHBondContact O-CG1 3.34Å; F260-I264 PolarHBondContact O-N 2.95Å; F260-A285 HydrophobicContact CD1-CB 3.98Å; F260-A285 HydrophobicContact CE1-CB 4.25Å; F260-D286 HydrophobicContact CE1-CB 4.19Å; F260-D286 HydrophobicContact CZ-CB 4.46Å; F260-R289 VanDerWaalsContact CZ-NH1 3.33Å |
| 261 | R | 96.2 | Very high | 95.6 | Very high | 125 Ų | 125 | 38.4 Ų | 38.4 | 47% | 0.472 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.2 | -46.5 | 174.9 | -77.1 | -177.9 | 176.7 | 170.5 | 10.4 | 111.7 | D256 I257 Q265 | D256-R261 WeakPolarHBondContact O-CD 3.15Å; D256-R261 PolarHBondContact O-NE 2.86Å; D256-R261 PolarHBondContact O-NH2 3.14Å; I257-R261 WeakPolarHBondContact O-CB 3.42Å; I257-R261 WeakPolarHBondContact O-CG 3.4Å; I257-R261 PolarHBondContact O-N 2.88Å; R261-Q265 VanDerWaalsContact O-CG 3.25Å; R261-Q265 WeakPolarHBondContact O-CG 3.35Å; R261-Q265 PolarHBondContact O-N 3.36Å |
| 262 | T | 96.3 | Very high | 95.5 | Very high | 72 Ų | 72 | 40.2 Ų | 40.2 | 44% | 0.442 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.1 | -44 | 179 | -54 | 0 | 0 | 0 | 0 | 110.9 | D258 L259 F260 Q265 A266 V341 | D258-T262 PolarHBondContact O-N 3.49Å; D258-T262 PolarHBondContact O-OG1 3.04Å; L259-T262 PolarHBondContact O-N 2.75Å; F260-T262 VanDerWaalsContact C-N 3.32Å; F260-T262 PolarHBondContact O-N 2.86Å; T262-Q265 PolarHBondContact O-N 2.95Å; T262-A266 PolarHBondContact O-N 3.29Å; T262-V341 HydrophobicContact CG2-CG1 3.57Å |
| 263 | L | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.3 | -41.6 | -179.4 | -165.6 | 57.1 | 0 | 0 | 0 | 112.3 | L259 F260 Q265 A266 V267 A285 I288 R289 P337 L338 | L259-L263 WeakPolarHBondContact O-CB 3.45Å; L259-L263 PolarHBondContact O-N 3.17Å; L259-L263 VanDerWaalsContact O-N 3.08Å; F260-L263 PolarHBondContact O-N 2.85Å; L263-Q265 VanDerWaalsContact C-N 3.32Å; L263-Q265 PolarHBondContact O-N 3.3Å; L263-A266 WeakPolarHBondContact O-CA 3.4Å; L263-A266 WeakPolarHBondContact O-CB 3.43Å; L263-A266 PolarHBondContact O-N 3.05Å; L263-A266 VanDerWaalsContact O-N 3.08Å; L263-V267 WeakPolarHBondContact O-CG2 3.38Å; L263-V267 PolarHBondContact O-N 2.84Å; L263-A285 HydrophobicContact CB-CB 4.31Å; L263-A285 HydrophobicContact CD2-CB 4.05Å; L263-A285 WeakPolarHBondContact CD2-O 3.19Å; L263-A285 HydrophobicContact CG-CB 3.95Å; L263-I288 HydrophobicContact CD1-CG2 4.19Å; L263-I288 HydrophobicContact CD2-CG2 3.81Å; L263-I288 HydrophobicContact CG-CG2 4.27Å; L263-R289 HydrophobicContact CD2-CG 3.97Å; L263-P337 HydrophobicContact CD1-CB 4.29Å; L263-L338 HydrophobicContact CD2-CD1 4.47Å |
| 264 | I | 97.5 | Very high | 95.6 | Very high | 17 Ų | 17 | 44.6 Ų | 44.6 | 9% | 0.087 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.9 | -41.3 | 174.5 | -75.2 | 167 | 0 | 0 | 0 | 110.9 | F260 A266 V267 A268 L281 R282 A285 | F260-I264 HydrophobicContact CB-CD1 4.31Å; F260-I264 WeakPolarHBondContact O-CB 3.37Å; F260-I264 WeakPolarHBondContact O-CD1 3.35Å; F260-I264 WeakPolarHBondContact O-CG1 3.34Å; F260-I264 PolarHBondContact O-N 2.95Å; I264-A266 VanDerWaalsContact C-N 3.33Å; I264-A266 PolarHBondContact O-N 3.39Å; I264-V267 PolarHBondContact O-N 2.88Å; I264-A268 WeakPolarHBondContact O-CB 3.38Å; I264-A268 PolarHBondContact O-N 3.43Å; I264-L281 HydrophobicContact CG2-CB 4.02Å; I264-L281 HydrophobicContact CG2-CD1 4.14Å; I264-R282 HydrophobicContact CD1-CG 4.2Å; I264-A285 HydrophobicContact CG1-CB 3.86Å |
| 265 | Q | 97.4 | Very high | 95.5 | Very high | 116 Ų | 116 | 48 Ų | 48 | 54% | 0.542 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 173.6 | -73.8 | 173 | 9.9 | 0 | 0 | 112 | R261 T262 L263 A268 K269 | R261-Q265 VanDerWaalsContact O-CG 3.25Å; R261-Q265 WeakPolarHBondContact O-CG 3.35Å; R261-Q265 PolarHBondContact O-N 3.36Å; T262-Q265 PolarHBondContact O-N 2.95Å; L263-Q265 VanDerWaalsContact C-N 3.32Å; L263-Q265 PolarHBondContact O-N 3.3Å; Q265-A268 PolarHBondContact O-N 3.13Å; Q265-K269 WeakPolarHBondContact O-CB 3.43Å; Q265-K269 PolarHBondContact O-N 3.42Å |
| 266 | A | 97.6 | Very high | 95.3 | Very high | 17 Ų | 17 | 52.3 Ų | 52.3 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64 | -41.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T262 L263 I264 K269 V270 L334 P337 | T262-A266 PolarHBondContact O-N 3.29Å; L263-A266 WeakPolarHBondContact O-CA 3.4Å; L263-A266 WeakPolarHBondContact O-CB 3.43Å; L263-A266 PolarHBondContact O-N 3.05Å; L263-A266 VanDerWaalsContact O-N 3.08Å; I264-A266 VanDerWaalsContact C-N 3.33Å; I264-A266 PolarHBondContact O-N 3.39Å; A266-K269 PolarHBondContact O-N 3.32Å; A266-V270 WeakPolarHBondContact O-CG2 3.41Å; A266-V270 PolarHBondContact O-N 2.88Å; A266-V270 VanDerWaalsContact O-N 3.09Å; A266-L334 HydrophobicContact CB-CD2 4.12Å; A266-P337 HydrophobicContact CB-CB 3.75Å; A266-P337 HydrophobicContact CB-CG 3.95Å |
| 267 | V | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.6 | -49.3 | 173.6 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | L263 I264 K269 V270 T271 L281 I284 A285 L334 | L263-V267 WeakPolarHBondContact O-CG2 3.38Å; L263-V267 PolarHBondContact O-N 2.84Å; I264-V267 PolarHBondContact O-N 2.88Å; V267-K269 VanDerWaalsContact C-N 3.26Å; V267-K269 PolarHBondContact O-N 3.33Å; V267-V270 WeakPolarHBondContact O-CG2 3.49Å; V267-V270 PolarHBondContact O-N 2.91Å; V267-T271 HydrophobicContact CG1-CG2 4.01Å; V267-T271 WeakPolarHBondContact O-CB 3.36Å; V267-T271 WeakPolarHBondContact O-CG2 3.22Å; V267-T271 PolarHBondContact O-N 3.48Å; V267-T271 PolarHBondContact O-OG1 3.03Å; V267-L281 HydrophobicContact CB-CD2 4.01Å; V267-L281 HydrophobicContact CG1-CD2 3.55Å; V267-I284 HydrophobicContact CB-CG2 4.37Å; V267-I284 HydrophobicContact CG1-CB 3.83Å; V267-I284 HydrophobicContact CG1-CD1 3.62Å; V267-I284 HydrophobicContact CG1-CG1 4.35Å; V267-I284 HydrophobicContact CG1-CG2 3.67Å; V267-I284 HydrophobicContact CG2-CB 4.13Å; V267-I284 HydrophobicContact CG2-CG2 3.67Å; V267-A285 HydrophobicContact CG2-CB 4.29Å; V267-L334 HydrophobicContact CB-CD2 4.5Å; V267-L334 HydrophobicContact CG2-CD1 3.85Å; V267-L334 HydrophobicContact CG2-CD2 3.93Å |
| 268 | A | 96.8 | Very high | 94.8 | Very high | 9 Ų | 9 | 55.8 Ų | 55.8 | 7% | 0.074 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.4 | -40.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I264 Q265 T271 G272 A273 L276 L281 | I264-A268 WeakPolarHBondContact O-CB 3.38Å; I264-A268 PolarHBondContact O-N 3.43Å; Q265-A268 PolarHBondContact O-N 3.13Å; A268-T271 PolarHBondContact O-OG1 2.79Å; A268-G272 CarbonylContact O-C 3.55Å; A268-G272 WeakPolarHBondContact O-CA 3.44Å; A268-G272 PolarHBondContact O-N 3.47Å; A268-A273 HydrophobicContact CB-CB 4.43Å; A268-A273 PolarHBondContact O-N 2.73Å; A268-L276 HydrophobicContact CB-CD2 3.43Å; A268-L276 VanDerWaalsContact CB-CD2 3.43Å; A268-L281 HydrophobicContact CB-CD1 4.5Å; A268-L281 HydrophobicContact CB-CD2 4.1Å |
| 269 | K | 95.7 | Very high | 94.6 | Very high | 184 Ų | 184 | 58.1 Ų | 58.1 | 80% | 0.8 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63 | -44 | 176.8 | -176.1 | -179.6 | 177.4 | -177 | 0 | 113.2 | Q265 A266 V267 | Q265-K269 WeakPolarHBondContact O-CB 3.43Å; Q265-K269 PolarHBondContact O-N 3.42Å; A266-K269 PolarHBondContact O-N 3.32Å; V267-K269 VanDerWaalsContact C-N 3.26Å; V267-K269 PolarHBondContact O-N 3.33Å |
| 270 | V | 95.3 | Very high | 94.5 | Very high | 45 Ų | 45 | 58.1 Ų | 58.1 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -81.1 | -22.9 | -177.1 | -58.8 | 0 | 0 | 0 | 0 | 113.3 | A266 V267 F330 K333 L334 | A266-V270 WeakPolarHBondContact O-CG2 3.41Å; A266-V270 PolarHBondContact O-N 2.88Å; A266-V270 VanDerWaalsContact O-N 3.09Å; V267-V270 WeakPolarHBondContact O-CG2 3.49Å; V267-V270 PolarHBondContact O-N 2.91Å; V270-F330 HydrophobicContact CB-CB 4.25Å; V270-F330 HydrophobicContact CG2-CB 4.15Å; V270-F330 HydrophobicContact CG2-CD2 3.75Å; V270-F330 HydrophobicContact CG2-CG 4.39Å; V270-K333 HydrophobicContact CG1-CB 4.17Å; V270-L334 HydrophobicContact CG1-CD2 4.49Å; V270-L334 HydrophobicContact CG2-CD2 3.77Å; V270-L334 HydrophobicContact CG2-CG 4.18Å |
| 271 | T | 94.7 | Very high | 94.5 | Very high | 9 Ų | 9 | 58.1 Ų | 58.1 | 6% | 0.055 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -92.7 | -21.6 | 177.6 | 56.7 | 0 | 0 | 0 | 0 | 113.3 | V267 A268 I284 L324 A326 F330 | V267-T271 HydrophobicContact CG1-CG2 4.01Å; V267-T271 WeakPolarHBondContact O-CB 3.36Å; V267-T271 WeakPolarHBondContact O-CG2 3.22Å; V267-T271 PolarHBondContact O-N 3.48Å; V267-T271 PolarHBondContact O-OG1 3.03Å; A268-T271 PolarHBondContact O-OG1 2.79Å; T271-I284 HydrophobicContact CG2-CD1 4.41Å; T271-L324 HydrophobicContact CG2-CD1 4.25Å; T271-A326 HydrophobicContact CG2-CB 4.21Å; T271-F330 HydrophobicContact CG2-CD2 3.8Å; T271-F330 HydrophobicContact CG2-CE2 3.85Å; T271-F330 HydrophobicContact CG2-CG 4.27Å; T271-F330 HydrophobicContact CG2-CZ 4.35Å |
| 272 | G | 91.9 | Very high | 94.5 | Very high | 57 Ų | 57 | 55 Ų | 55 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | 9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A268 | A268-G272 CarbonylContact O-C 3.55Å; A268-G272 WeakPolarHBondContact O-CA 3.44Å; A268-G272 PolarHBondContact O-N 3.47Å |
| 273 | A | 93 | Very high | 94.4 | Very high | 17 Ų | 17 | 51.5 Ų | 51.5 | 14% | 0.14 | 29% | 0.286 | C | S | . | . | trans | -66.2 | 133.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A268 L281 L324 | A268-A273 HydrophobicContact CB-CB 4.43Å; A268-A273 PolarHBondContact O-N 2.73Å; A273-L281 HydrophobicContact CB-CD2 4.06Å; A273-L324 HydrophobicContact CB-CB 4.26Å; A273-L324 HydrophobicContact CB-CD1 4.4Å; A273-L324 HydrophobicContact CB-CD2 3.9Å; A273-L324 HydrophobicContact CB-CG 4.41Å | ||
| 274 | T | 90.9 | Very high | 94.4 | Very high | 141 Ų | 141 | 51.5 Ų | 51.5 | 87% | 0.865 | 29% | 0.286 | S | S | * | . | trans | -99.9 | -28.2 | 176.6 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | L276 | T274-L276 PolarHBondContact O-N 2.97Š| ||
| 275 | D | 92.8 | Very high | 94.4 | Very high | 78 Ų | 78 | 50.7 Ų | 50.7 | 42% | 0.417 | 28% | 0.282 | S | S | . | . | trans | -84.5 | 98.2 | 175.3 | 176.2 | 18.4 | 0 | 0 | 0 | 111.1 | S277 N278 L281 | D275-S277 PolarHBondContact O-N 2.81Å; D275-S277 WeakPolarHBondContact OD1-CA 3.33Å; D275-S277 WeakPolarHBondContact OD1-CB 3.19Å; D275-S277 PolarHBondContact OD1-N 2.9Å; D275-S277 PolarHBondContact OD1-OG 3.09Å; D275-S277 PolarHBondContact OD2-OG 3.36Å; D275-N278 WeakPolarHBondContact O-CB 3.48Å; D275-N278 PolarHBondContact O-N 3.35Å; D275-L281 VanDerWaalsContact O-CD1 3.25Å; D275-L281 WeakPolarHBondContact O-CD1 3.45Å | ||
| 276 | L | 91.4 | Very high | 94.4 | Very high | 93 Ų | 93 | 45.2 Ų | 45.2 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -9.9 | 177.4 | -64.1 | -178.5 | 0 | 0 | 0 | 114 | A268 T274 L281 | A268-L276 HydrophobicContact CB-CD2 3.43Å; A268-L276 VanDerWaalsContact CB-CD2 3.43Å; T274-L276 PolarHBondContact O-N 2.97Å; L276-L281 HydrophobicContact CD2-CD1 4.25Å |
| 277 | S | 89.2 | Confident | 94.4 | Very high | 80 Ų | 80 | 44.4 Ų | 44.4 | 56% | 0.559 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -8.2 | 176.7 | 76.8 | 0 | 0 | 0 | 0 | 113.2 | D275 K279 | D275-S277 PolarHBondContact O-N 2.81Å; D275-S277 WeakPolarHBondContact OD1-CA 3.33Å; D275-S277 WeakPolarHBondContact OD1-CB 3.19Å; D275-S277 PolarHBondContact OD1-N 2.9Å; D275-S277 PolarHBondContact OD1-OG 3.09Å; D275-S277 PolarHBondContact OD2-OG 3.36Å; S277-K279 PolarHBondContact O-N 2.87Å |
| 278 | N | 91.9 | Very high | 94.4 | Very high | 54 Ų | 54 | 44.4 Ų | 44.4 | 29% | 0.289 | 25% | 0.25 | S | C | . | . | trans | -63.8 | 126.1 | -177.2 | -167.4 | -49.1 | 0 | 0 | 0 | 111.7 | D275 S280 L281 L324 | D275-N278 WeakPolarHBondContact O-CB 3.48Å; D275-N278 PolarHBondContact O-N 3.35Å; N278-S280 PolarHBondContact O-N 3.21Å; N278-S280 VanDerWaalsContact O-N 3.15Å; N278-S280 VanDerWaalsContact OD1-CB 3.3Å; N278-S280 WeakPolarHBondContact OD1-CB 3.4Å; N278-S280 PolarHBondContact OD1-N 3.48Å; N278-S280 PolarHBondContact OD1-OG 2.73Å; N278-L281 HydrophobicContact CB-CD1 4.42Å; N278-L281 WeakPolarHBondContact O-CB 3.33Å; N278-L281 PolarHBondContact O-N 3.13Å; N278-L324 HydrophobicContact CB-CD2 4.08Å | ||
| 279 | K | 91.8 | Very high | 94.5 | Very high | 102 Ų | 102 | 44 Ų | 44 | 44% | 0.443 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.2 | -30.5 | -177.3 | -60.5 | -176.2 | -175 | -178.1 | 0 | 113 | Y83 S277 L281 R282 V283 | Y83-K279 HydrophobicContact CD1-CD 3.58Å; Y83-K279 HydrophobicContact CE1-CD 3.93Å; S277-K279 PolarHBondContact O-N 2.87Å; K279-L281 PolarHBondContact O-N 2.78Å; K279-R282 WeakPolarHBondContact O-CB 3.42Å; K279-R282 PolarHBondContact O-N 2.95Å; K279-V283 PolarHBondContact O-N 2.69Å |
| 280 | S | 93.6 | Very high | 94.5 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 4% | 0.035 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.5 | -33.2 | 176.2 | -66.6 | 0 | 0 | 0 | 0 | 112.9 | N278 R282 V283 I284 H320 | N278-S280 PolarHBondContact O-N 3.21Å; N278-S280 VanDerWaalsContact O-N 3.15Å; N278-S280 VanDerWaalsContact OD1-CB 3.3Å; N278-S280 WeakPolarHBondContact OD1-CB 3.4Å; N278-S280 PolarHBondContact OD1-N 3.48Å; N278-S280 PolarHBondContact OD1-OG 2.73Å; S280-R282 VanDerWaalsContact C-N 3.31Å; S280-R282 PolarHBondContact O-N 2.9Å; S280-V283 PolarHBondContact O-N 2.66Å; S280-I284 WeakPolarHBondContact O-CD1 3.35Å; S280-I284 VanDerWaalsContact O-CG1 3.27Å; S280-I284 WeakPolarHBondContact O-CG1 3.41Å; S280-I284 PolarHBondContact O-N 2.89Å; S280-I284 VanDerWaalsContact O-N 3.09Å; S280-H320 WeakPolarHBondContact CB-ND1 3.13Å; S280-H320 PolarHBondContact OG-ND1 3.12Å |
| 281 | L | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.4 | -38.2 | 176.7 | -65.2 | 171 | 0 | 0 | 0 | 111.8 | I264 V267 A268 A273 D275 L276 N278 K279 A285 L324 | I264-L281 HydrophobicContact CG2-CB 4.02Å; I264-L281 HydrophobicContact CG2-CD1 4.14Å; V267-L281 HydrophobicContact CB-CD2 4.01Å; V267-L281 HydrophobicContact CG1-CD2 3.55Å; A268-L281 HydrophobicContact CB-CD1 4.5Å; A268-L281 HydrophobicContact CB-CD2 4.1Å; A273-L281 HydrophobicContact CB-CD2 4.06Å; D275-L281 VanDerWaalsContact O-CD1 3.25Å; D275-L281 WeakPolarHBondContact O-CD1 3.45Å; L276-L281 HydrophobicContact CD2-CD1 4.25Å; N278-L281 HydrophobicContact CB-CD1 4.42Å; N278-L281 WeakPolarHBondContact O-CB 3.33Å; N278-L281 PolarHBondContact O-N 3.13Å; K279-L281 PolarHBondContact O-N 2.78Å; L281-A285 VanDerWaalsContact O-CB 3.28Å; L281-A285 WeakPolarHBondContact O-CB 3.42Å; L281-A285 PolarHBondContact O-N 2.98Å; L281-L324 HydrophobicContact CD2-CD1 3.52Å; L281-L324 HydrophobicContact CG-CD1 4.01Å; L281-L324 HydrophobicContact CG-CD2 4.47Å |
| 282 | R | 95.9 | Very high | 94.8 | Very high | 58 Ų | 58 | 32.6 Ų | 32.6 | 22% | 0.219 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67 | -43.9 | 178 | -57.7 | 173.6 | -178 | -178.1 | -3.6 | 111.1 | Y255 I264 K279 S280 A285 D286 | Y255-R282 HydrophobicContact CD1-CB 3.78Å; Y255-R282 HydrophobicContact CD1-CG 4.07Å; Y255-R282 HydrophobicContact CD2-CB 4.27Å; Y255-R282 HydrophobicContact CD2-CG 4.17Å; Y255-R282 HydrophobicContact CE1-CB 3.88Å; Y255-R282 HydrophobicContact CE2-CB 4.3Å; Y255-R282 HydrophobicContact CG-CB 4Å; Y255-R282 HydrophobicContact CG-CG 3.84Å; I264-R282 HydrophobicContact CD1-CG 4.2Å; K279-R282 WeakPolarHBondContact O-CB 3.42Å; K279-R282 PolarHBondContact O-N 2.95Å; S280-R282 VanDerWaalsContact C-N 3.31Å; S280-R282 PolarHBondContact O-N 2.9Å; R282-A285 PolarHBondContact O-N 2.92Å; R282-D286 PolarHBondContact O-N 3.27Å |
| 283 | V | 94.8 | Very high | 95 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.6 | -48.9 | 177.5 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | V81 K279 S280 A285 D286 H287 R316 H320 | V81-V283 WeakPolarHBondContact O-CG2 3.4Å; K279-V283 PolarHBondContact O-N 2.69Å; S280-V283 PolarHBondContact O-N 2.66Å; V283-A285 PolarHBondContact O-N 3.07Å; V283-D286 PolarHBondContact O-N 3.3Å; V283-H287 VanDerWaalsContact O-CB 3.27Å; V283-H287 WeakPolarHBondContact O-CB 3.38Å; V283-H287 PolarHBondContact O-N 2.8Å; V283-H287 PolarHBondContact O-ND1 2.74Å; V283-R316 HydrophobicContact CG1-CG 4.44Å; V283-H320 VanDerWaalsContact CG1-CD2 3.42Å; V283-H320 WeakPolarHBondContact CG1-CD2 3.48Å |
| 284 | I | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | 179.7 | -62.2 | 160.4 | 0 | 0 | 0 | 111.2 | V267 T271 S280 D286 H287 I288 H320 L324 F330 F331 L334 | V267-I284 HydrophobicContact CB-CG2 4.37Å; V267-I284 HydrophobicContact CG1-CB 3.83Å; V267-I284 HydrophobicContact CG1-CD1 3.62Å; V267-I284 HydrophobicContact CG1-CG1 4.35Å; V267-I284 HydrophobicContact CG1-CG2 3.67Å; V267-I284 HydrophobicContact CG2-CB 4.13Å; V267-I284 HydrophobicContact CG2-CG2 3.67Å; T271-I284 HydrophobicContact CG2-CD1 4.41Å; S280-I284 WeakPolarHBondContact O-CD1 3.35Å; S280-I284 VanDerWaalsContact O-CG1 3.27Å; S280-I284 WeakPolarHBondContact O-CG1 3.41Å; S280-I284 PolarHBondContact O-N 2.89Å; S280-I284 VanDerWaalsContact O-N 3.09Å; I284-D286 VanDerWaalsContact C-N 3.34Å; I284-D286 PolarHBondContact O-N 2.78Å; I284-H287 PolarHBondContact O-N 2.89Å; I284-I288 WeakPolarHBondContact O-CG2 3.46Å; I284-I288 PolarHBondContact O-N 2.87Å; I284-H320 HydrophobicContact CD1-CB 4.03Å; I284-H320 HydrophobicContact CG1-CB 3.84Å; I284-L324 HydrophobicContact CD1-CD1 3.67Å; I284-F330 HydrophobicContact CD1-CE2 4.3Å; I284-F330 HydrophobicContact CD1-CZ 4.37Å; I284-F330 HydrophobicContact CG2-CE2 3.99Å; I284-F331 HydrophobicContact CG2-CD2 4.15Å; I284-F331 HydrophobicContact CG2-CE2 4.17Å; I284-L334 HydrophobicContact CG2-CD1 3.54Å |
| 285 | A | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.9 | -37.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F260 L263 I264 V267 L281 R282 V283 I288 R289 | F260-A285 HydrophobicContact CD1-CB 3.98Å; F260-A285 HydrophobicContact CE1-CB 4.25Å; L263-A285 HydrophobicContact CB-CB 4.31Å; L263-A285 HydrophobicContact CD2-CB 4.05Å; L263-A285 WeakPolarHBondContact CD2-O 3.19Å; L263-A285 HydrophobicContact CG-CB 3.95Å; I264-A285 HydrophobicContact CG1-CB 3.86Å; V267-A285 HydrophobicContact CG2-CB 4.29Å; L281-A285 VanDerWaalsContact O-CB 3.28Å; L281-A285 WeakPolarHBondContact O-CB 3.42Å; L281-A285 PolarHBondContact O-N 2.98Å; R282-A285 PolarHBondContact O-N 2.92Å; V283-A285 PolarHBondContact O-N 3.07Å; A285-I288 WeakPolarHBondContact O-CG2 3.37Å; A285-R289 WeakPolarHBondContact O-CD 3.26Å; A285-R289 WeakPolarHBondContact O-CG 3.5Å |
| 286 | D | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -70 | -48.5 | 172.3 | 170.4 | 77.1 | 0 | 0 | 0 | 111.6 | V81 H88 T89 F90 Y255 F260 R282 V283 I284 I288 R289 S290 | V81-D286 HydrophobicContact CG1-CB 3.7Å; V81-D286 VanDerWaalsContact CG1-OD2 3.27Å; V81-D286 WeakPolarHBondContact CG1-OD2 3.42Å; H88-D286 WeakPolarHBondContact CA-OD1 3.38Å; H88-D286 VanDerWaalsContact CB-OD1 3.31Å; H88-D286 WeakPolarHBondContact CB-OD1 3.39Å; H88-D286 IonicContact CG-OD1 2.93Å; H88-D286 IonicContact ND1-OD1 2.8Å; T89-D286 WeakPolarHBondContact CB-OD2 3.4Å; T89-D286 VanDerWaalsContact N-CG 3.31Å; T89-D286 PolarHBondContact N-OD1 2.97Å; T89-D286 PolarHBondContact N-OD2 3.29Å; T89-D286 PolarHBondContact OG1-OD2 3.1Å; F90-D286 PolarHBondContact N-OD1 3.5Å; Y255-D286 HydrophobicContact CE1-CB 4.49Å; F260-D286 HydrophobicContact CE1-CB 4.19Å; F260-D286 HydrophobicContact CZ-CB 4.46Å; R282-D286 PolarHBondContact O-N 3.27Å; V283-D286 PolarHBondContact O-N 3.3Å; I284-D286 VanDerWaalsContact C-N 3.34Å; I284-D286 PolarHBondContact O-N 2.78Å; D286-I288 PolarHBondContact O-N 3.42Å; D286-R289 VanDerWaalsContact O-CB 3.32Å; D286-R289 WeakPolarHBondContact O-CB 3.44Å; D286-R289 PolarHBondContact O-N 3.01Å; D286-R289 VanDerWaalsContact O-N 3.11Å; D286-S290 PolarHBondContact O-N 2.91Å |
| 287 | H | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -66.2 | -34.1 | -173.3 | -73.6 | 8.1 | 0 | 0 | 0 | 113.4 | T89 V283 I284 R289 S290 C291 I313 R316 A317 F331 | T89-H287 PolarHBondContact OG1-CE1 2.63Å; T89-H287 PolarHBondContact OG1-ND1 2.85Å; T89-H287 VanDerWaalsContact OG1-ND1 3.12Å; V283-H287 VanDerWaalsContact O-CB 3.27Å; V283-H287 WeakPolarHBondContact O-CB 3.38Å; V283-H287 PolarHBondContact O-N 2.8Å; V283-H287 PolarHBondContact O-ND1 2.74Å; I284-H287 PolarHBondContact O-N 2.89Å; H287-R289 PolarHBondContact O-N 3.07Å; H287-S290 PolarHBondContact O-N 2.87Å; H287-C291 WeakPolarHBondContact O-CB 3.15Å; H287-C291 PolarHBondContact O-N 3.4Å; H287-C291 PolarHBondContact O-SG 2.77Å; H287-I313 HydrophobicContact CB-CG2 3.67Å; H287-I313 PolarHBondContact CD2-O 3.38Å; H287-I313 VanDerWaalsContact CG-CG2 3.47Å; H287-R316 PolarHBondContact CE1-NH1 2.84Å; H287-R316 VanDerWaalsContact CE1-NH1 3.25Å; H287-R316 PolarHBondContact NE2-NH1 3.16Å; H287-A317 HydrophobicContact CB-CB 3.82Å; H287-F331 HydrophobicContact CB-CZ 4.39Å |
| 288 | I | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.1 | -36.4 | 175.3 | -173 | 66.5 | 0 | 0 | 0 | 111.5 | L263 I284 A285 D286 A292 F331 L334 V335 L338 L360 | L263-I288 HydrophobicContact CD1-CG2 4.19Å; L263-I288 HydrophobicContact CD2-CG2 3.81Å; L263-I288 HydrophobicContact CG-CG2 4.27Å; I284-I288 WeakPolarHBondContact O-CG2 3.46Å; I284-I288 PolarHBondContact O-N 2.87Å; A285-I288 WeakPolarHBondContact O-CG2 3.37Å; D286-I288 PolarHBondContact O-N 3.42Å; I288-A292 WeakPolarHBondContact O-CB 3.28Å; I288-A292 PolarHBondContact O-N 2.78Å; I288-F331 HydrophobicContact CB-CD2 4.5Å; I288-F331 HydrophobicContact CB-CE2 3.67Å; I288-F331 HydrophobicContact CB-CZ 3.99Å; I288-F331 HydrophobicContact CD1-CD1 4.4Å; I288-F331 HydrophobicContact CD1-CD2 4.13Å; I288-F331 HydrophobicContact CD1-CE1 4.11Å; I288-F331 HydrophobicContact CD1-CE2 3.83Å; I288-F331 HydrophobicContact CD1-CG 4.41Å; I288-F331 HydrophobicContact CD1-CZ 3.83Å; I288-F331 WeakPolarHBondContact CD1-O 3.37Å; I288-F331 HydrophobicContact CG1-CE2 4.33Å; I288-L334 HydrophobicContact CB-CB 4.28Å; I288-L334 HydrophobicContact CB-CD1 4.41Å; I288-L334 HydrophobicContact CD1-CB 3.96Å; I288-L334 HydrophobicContact CG1-CB 3.63Å; I288-L334 HydrophobicContact CG2-CB 4.44Å; I288-V335 HydrophobicContact CD1-CG2 4.23Å; I288-L338 HydrophobicContact CG1-CD2 4.21Å; I288-L360 HydrophobicContact CD1-CD1 3.68Å |
| 289 | R | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61.7 | -51.4 | 177.3 | -55.6 | 167.8 | 70.8 | -153.8 | 0.9 | 110 | F90 E242 F260 L263 A285 D286 H287 F293 L338 | F90-R289 HydrophobicContact CB-CB 4.08Å; F90-R289 HydrophobicContact CD1-CB 3.56Å; F90-R289 HydrophobicContact CE1-CB 4.19Å; F90-R289 HydrophobicContact CG-CB 3.9Å; F90-R289 PolarHBondContact O-NH1 3.43Å; F90-R289 VanDerWaalsContact O-NH1 3.08Å; E242-R289 IonicContact OE1-CZ 2.78Å; E242-R289 IonicContact OE1-NH1 3.14Å; E242-R289 PolarHBondContact OE1-NH1 2.93Å; E242-R289 VanDerWaalsContact OE1-NH1 3.13Å; E242-R289 IonicContact OE1-NH2 3.52Å; E242-R289 PolarHBondContact OE1-NH2 2.81Å; F260-R289 VanDerWaalsContact CZ-NH1 3.33Å; L263-R289 HydrophobicContact CD2-CG 3.97Å; A285-R289 WeakPolarHBondContact O-CD 3.26Å; A285-R289 WeakPolarHBondContact O-CG 3.5Å; D286-R289 VanDerWaalsContact O-CB 3.32Å; D286-R289 WeakPolarHBondContact O-CB 3.44Å; D286-R289 PolarHBondContact O-N 3.01Å; D286-R289 VanDerWaalsContact O-N 3.11Å; H287-R289 PolarHBondContact O-N 3.07Å; R289-F293 VanDerWaalsContact O-CD2 3.31Å; R289-F293 WeakPolarHBondContact O-CD2 3.29Å; R289-F293 PolarHBondContact O-N 3.08Å; R289-L338 HydrophobicContact CB-CD1 4.24Å; R289-L338 HydrophobicContact CG-CD1 3.62Å |
| 290 | S | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -59 | -54 | 178 | -173.3 | 0 | 0 | 0 | 0 | 111.9 | T89 D286 H287 A292 F293 L294 | T89-S290 WeakPolarHBondContact CG2-OG 3.33Å; D286-S290 PolarHBondContact O-N 2.91Å; H287-S290 PolarHBondContact O-N 2.87Å; S290-A292 PolarHBondContact O-N 3.16Å; S290-F293 PolarHBondContact O-N 3.4Å; S290-L294 WeakPolarHBondContact O-CB 3.3Å; S290-L294 VanDerWaalsContact O-CG 3.27Å; S290-L294 WeakPolarHBondContact O-CG 3.47Å; S290-L294 PolarHBondContact O-N 3.16Å |
| 291 | C | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -63.8 | -44.2 | -174.6 | -63.9 | 0 | 0 | 0 | 0 | 112.4 | H287 L294 I295 L310 I313 I314 F331 L360 | H287-C291 WeakPolarHBondContact O-CB 3.15Å; H287-C291 PolarHBondContact O-N 3.4Å; H287-C291 PolarHBondContact O-SG 2.77Å; C291-L294 PolarHBondContact O-N 3.08Å; C291-I295 WeakPolarHBondContact O-CD1 3.24Å; C291-I295 WeakPolarHBondContact O-CG1 3.36Å; C291-I295 PolarHBondContact O-N 3.47Å; C291-L310 HydrophobicContact CB-CD1 3.86Å; C291-I313 WeakPolarHBondContact SG-CG2 3.47Å; C291-I314 HydrophobicContact CB-CG1 4.02Å; C291-I314 WeakPolarHBondContact SG-CG1 3.27Å; C291-F331 HydrophobicContact CB-CE1 4.01Å; C291-F331 HydrophobicContact CB-CZ 4.19Å; C291-L360 HydrophobicContact CB-CD2 3.94Å |
| 292 | A | 97.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -64.2 | -45 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I288 S290 I295 A296 L338 L349 V356 | I288-A292 WeakPolarHBondContact O-CB 3.28Å; I288-A292 PolarHBondContact O-N 2.78Å; S290-A292 PolarHBondContact O-N 3.16Å; A292-I295 PolarHBondContact O-N 2.85Å; A292-A296 WeakPolarHBondContact O-CB 3.39Å; A292-A296 PolarHBondContact O-N 3.29Å; A292-L338 HydrophobicContact CB-CD2 3.43Å; A292-L338 VanDerWaalsContact CB-CD2 3.43Å; A292-L349 HydrophobicContact CB-CD1 3.95Å; A292-L349 HydrophobicContact CB-CD2 3.96Å; A292-V356 HydrophobicContact CB-CG1 3.94Å |
| 293 | F | 96.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -72.2 | -34.8 | 178.5 | -79.8 | -64.6 | 0 | 0 | 0 | 113.2 | L29 F90 R289 S290 I295 A296 D297 M342 L349 | L29-F293 HydrophobicContact CD1-CB 3.69Å; F90-F293 HydrophobicContact CD2-CB 4.47Å; F90-F293 HydrophobicContact CD2-CD2 4.34Å; F90-F293 HydrophobicContact CE1-CD2 4.1Å; F90-F293 HydrophobicContact CE1-CE2 4.23Å; F90-F293 HydrophobicContact CE2-CB 3.85Å; F90-F293 AromaticContact CE2-CD2 3.48Å; F90-F293 HydrophobicContact CE2-CD2 3.48Å; F90-F293 VanDerWaalsContact CE2-CD2 3.48Å; F90-F293 HydrophobicContact CE2-CE2 4.28Å; F90-F293 AromaticContact CE2-CG 3.88Å; F90-F293 HydrophobicContact CE2-CG 3.88Å; F90-F293 AromaticContact CZ-CD2 3.34Å; F90-F293 HydrophobicContact CZ-CD2 3.34Å; F90-F293 AromaticContact CZ-CE2 3.67Å; F90-F293 HydrophobicContact CZ-CE2 3.67Å; F90-F293 HydrophobicContact CZ-CG 4.09Å; R289-F293 VanDerWaalsContact O-CD2 3.31Å; R289-F293 WeakPolarHBondContact O-CD2 3.29Å; R289-F293 PolarHBondContact O-N 3.08Å; S290-F293 PolarHBondContact O-N 3.4Å; F293-I295 VanDerWaalsContact C-N 3.34Å; F293-I295 PolarHBondContact O-N 2.94Å; F293-A296 PolarHBondContact O-N 3.11Å; F293-D297 WeakPolarHBondContact O-CB 3.42Å; F293-D297 PolarHBondContact O-N 3.33Å; F293-M342 HydrophobicContact CE2-CE 3.75Å; F293-M342 HydrophobicContact CE2-CG 4.05Å; F293-M342 HydrophobicContact CE2-SD 4.15Å; F293-M342 HydrophobicContact CZ-CE 3.84Å; F293-M342 HydrophobicContact CZ-CG 4.13Å; F293-L349 HydrophobicContact CD1-CB 4.32Å; F293-L349 HydrophobicContact CE1-CB 3.87Å; F293-L349 HydrophobicContact CE1-CD2 4.37Å; F293-L349 HydrophobicContact CE2-CD2 4.42Å; F293-L349 HydrophobicContact CZ-CB 4.38Å; F293-L349 HydrophobicContact CZ-CD2 4.24Å |
| 294 | L | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.4 | -42.5 | 172.8 | -77.9 | 172.9 | 0 | 0 | 0 | 111.8 | L29 F39 V69 S290 C291 D297 G298 V299 L310 I313 | L29-L294 HydrophobicContact CB-CD2 3.86Å; L29-L294 HydrophobicContact CD1-CD2 3.84Å; L29-L294 HydrophobicContact CD1-CG 3.91Å; F39-L294 HydrophobicContact CD1-CD2 3.6Å; F39-L294 HydrophobicContact CE1-CD1 4.35Å; F39-L294 HydrophobicContact CE1-CD2 3.35Å; F39-L294 HydrophobicContact CZ-CD1 4.4Å; F39-L294 HydrophobicContact CZ-CD2 4.18Å; V69-L294 HydrophobicContact CG2-CG 4.47Å; S290-L294 WeakPolarHBondContact O-CB 3.3Å; S290-L294 VanDerWaalsContact O-CG 3.27Å; S290-L294 WeakPolarHBondContact O-CG 3.47Å; S290-L294 PolarHBondContact O-N 3.16Å; C291-L294 PolarHBondContact O-N 3.08Å; L294-D297 CarbonylContact O-C 3.55Å; L294-D297 PolarHBondContact O-N 3.05Å; L294-G298 PolarHBondContact O-N 3.5Å; L294-V299 HydrophobicContact CB-CB 4.27Å; L294-V299 HydrophobicContact CD2-CG2 4.19Å; L294-V299 VanDerWaalsContact O-CB 3.3Å; L294-V299 WeakPolarHBondContact O-CB 3.5Å; L294-V299 PolarHBondContact O-N 2.91Å; L294-L310 HydrophobicContact CB-CD1 4.02Å; L294-L310 HydrophobicContact CB-CD2 4.49Å; L294-L310 HydrophobicContact CD1-CB 4.38Å; L294-L310 HydrophobicContact CD1-CD1 4.02Å; L294-I313 HydrophobicContact CD1-CD1 4.46Å |
| 295 | I | 93.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.8 | -42 | 177.5 | -62.5 | 161.8 | 0 | 0 | 0 | 111 | C291 A292 F293 D297 G298 V299 L310 V356 V359 L360 | C291-I295 WeakPolarHBondContact O-CD1 3.24Å; C291-I295 WeakPolarHBondContact O-CG1 3.36Å; C291-I295 PolarHBondContact O-N 3.47Å; A292-I295 PolarHBondContact O-N 2.85Å; F293-I295 VanDerWaalsContact C-N 3.34Å; F293-I295 PolarHBondContact O-N 2.94Å; I295-D297 PolarHBondContact O-N 2.85Å; I295-G298 WeakPolarHBondContact O-CA 3.34Å; I295-G298 PolarHBondContact O-N 3.46Å; I295-V299 WeakPolarHBondContact CA-O 3.42Å; I295-L310 HydrophobicContact CD1-CD2 4.47Å; I295-L310 HydrophobicContact CG1-CD1 4.34Å; I295-L310 HydrophobicContact CG1-CD2 3.71Å; I295-V356 HydrophobicContact CB-CG1 4.32Å; I295-V356 HydrophobicContact CB-CG2 4.22Å; I295-V356 HydrophobicContact CD1-CG1 4.31Å; I295-V356 HydrophobicContact CG2-CB 4.35Å; I295-V356 HydrophobicContact CG2-CG1 4.48Å; I295-V356 HydrophobicContact CG2-CG2 3.98Å; I295-V359 HydrophobicContact CD1-CB 4.14Å; I295-V359 HydrophobicContact CD1-CG1 3.7Å; I295-V359 HydrophobicContact CG1-CG1 4.07Å; I295-V359 HydrophobicContact CG2-CB 4.05Å; I295-V359 HydrophobicContact CG2-CG1 4.15Å; I295-V359 HydrophobicContact CG2-CG2 4.12Å; I295-L360 HydrophobicContact CD1-CD2 3.46Å; I295-L360 VanDerWaalsContact CD1-CD2 3.46Å; I295-L360 HydrophobicContact CD1-CG 3.73Å |
| 296 | A | 91.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.4 | -30.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | A292 F293 G298 L349 Q352 V356 F645 | A292-A296 WeakPolarHBondContact O-CB 3.39Å; A292-A296 PolarHBondContact O-N 3.29Å; F293-A296 PolarHBondContact O-N 3.11Å; A296-G298 PolarHBondContact O-N 3.26Å; A296-L349 HydrophobicContact CB-CD1 3.94Å; A296-Q352 PolarHBondContact O-NE2 3.34Å; A296-Q352 PolarHBondContact O-OE1 3.35Å; A296-Q352 VanDerWaalsContact O-OE1 3.09Å; A296-V356 HydrophobicContact CB-CG2 4.25Å; A296-F645 WeakPolarHBondContact O-CE1 3.5Å; A296-F645 WeakPolarHBondContact O-CZ 3.41Å |
| 297 | D | 90.3 | Very high | 88.2 | Confident | 12 Ų | 12 | 27.1 Ų | 27.1 | 6% | 0.064 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 6.9 | 172.3 | -72.9 | -10 | 0 | 0 | 0 | 112.8 | S28 L29 R67 F293 L294 I295 | S28-D297 WeakPolarHBondContact CA-OD2 3.44Å; S28-D297 WeakPolarHBondContact OG-CB 3.45Å; S28-D297 PolarHBondContact OG-OD2 2.95Å; L29-D297 WeakPolarHBondContact CB-OD2 3.49Å; L29-D297 WeakPolarHBondContact CG-OD2 3.48Å; L29-D297 PolarHBondContact N-OD2 3.23Å; R67-D297 IonicContact CZ-OD1 2.71Å; R67-D297 IonicContact CZ-OD2 3.55Å; R67-D297 IonicContact NH1-OD1 2.85Å; R67-D297 PolarHBondContact NH1-OD1 3Å; R67-D297 IonicContact NH1-OD2 3.28Å; R67-D297 IonicContact NH2-OD1 3.27Å; R67-D297 PolarHBondContact NH2-OD1 3.34Å; R67-D297 IonicContact NH2-OD2 3.78Å; R67-D297 PolarHBondContact NH2-OD2 3.31Å; F293-D297 WeakPolarHBondContact O-CB 3.42Å; F293-D297 PolarHBondContact O-N 3.33Å; L294-D297 CarbonylContact O-C 3.55Å; L294-D297 PolarHBondContact O-N 3.05Å; I295-D297 PolarHBondContact O-N 2.85Å |
| 298 | G | 84.8 | Confident | 87.4 | Confident | 21 Ų | 21 | 29 Ų | 29 | 22% | 0.216 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 14.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L294 I295 A296 K585 | L294-G298 PolarHBondContact O-N 3.5Å; I295-G298 WeakPolarHBondContact O-CA 3.34Å; I295-G298 PolarHBondContact O-N 3.46Å; A296-G298 PolarHBondContact O-N 3.26Å; G298-K585 PolarHBondContact O-NZ 2.94Å |
| 299 | V | 86 | Confident | 86.9 | Confident | 11 Ų | 11 | 29.4 Ų | 29.4 | 7% | 0.067 | 15% | 0.154 | C | C | . | . | trans | -83.2 | 128.3 | 171.9 | -174.9 | 0 | 0 | 0 | 0 | 109.5 | V30 L294 I295 R306 L310 | V30-V299 HydrophobicContact CG2-CG2 3.46Å; V30-V299 VanDerWaalsContact CG2-CG2 3.46Å; L294-V299 HydrophobicContact CB-CB 4.27Å; L294-V299 HydrophobicContact CD2-CG2 4.19Å; L294-V299 VanDerWaalsContact O-CB 3.3Å; L294-V299 WeakPolarHBondContact O-CB 3.5Å; L294-V299 PolarHBondContact O-N 2.91Å; I295-V299 WeakPolarHBondContact CA-O 3.42Å; V299-R306 HydrophobicContact CG1-CB 3.85Å; V299-R306 HydrophobicContact CG2-CB 4.46Å; V299-L310 HydrophobicContact CB-CD2 4.17Å; V299-L310 HydrophobicContact CG1-CB 4.13Å; V299-L310 HydrophobicContact CG1-CD2 3.83Å; V299-L310 WeakPolarHBondContact O-CD2 3.4Å | ||
| 300 | M | 86.2 | Confident | 86.6 | Confident | 33 Ų | 33 | 29.4 Ų | 29.4 | 16% | 0.163 | 15% | 0.154 | C | C | . | . | trans | -111 | 143.2 | 179 | -61.9 | -63.2 | -67.8 | 0 | 0 | 110.5 | S302 G307 V359 N601 A690 | M300-S302 PolarHBondContact O-N 2.8Å; M300-G307 WeakPolarHBondContact O-CA 3.24Å; M300-V359 HydrophobicContact CE-CB 4.35Å; M300-V359 HydrophobicContact CE-CG1 3.94Å; M300-V359 HydrophobicContact CE-CG2 3.4Å; M300-V359 VanDerWaalsContact CE-CG2 3.4Å; M300-V359 HydrophobicContact SD-CG1 4.33Å; M300-V359 HydrophobicContact SD-CG2 3.97Å; M300-N601 WeakPolarHBondContact CE-OD1 3.4Å; M300-A690 WeakPolarHBondContact CB-O 3.22Å | ||
| 301 | P | 86.9 | Confident | 86.3 | Confident | 11 Ų | 11 | 30.9 Ų | 30.9 | 7% | 0.071 | 16% | 0.16 | C | C | . | . | trans | -55.7 | 126 | 174.9 | -25.4 | 35.1 | 0 | 0 | 0 | 111.6 | L310 R311 I314 V359 E363 A690 | P301-L310 HydrophobicContact CG-CD2 4.03Å; P301-L310 HydrophobicContact CG-CG 4.26Å; P301-R311 HydrophobicContact CB-CB 4.11Å; P301-R311 PolarHBondContact O-NH2 3.37Å; P301-I314 HydrophobicContact CB-CD1 4.49Å; P301-I314 HydrophobicContact CG-CD1 3.66Å; P301-V359 HydrophobicContact CG-CG1 3.94Å; P301-E363 HydrophobicContact CB-CB 4.48Å; P301-E363 HydrophobicContact CB-CG 4.16Å; P301-E363 WeakPolarHBondContact CB-OE2 3.36Å; P301-E363 HydrophobicContact CG-CB 4.25Å; P301-E363 HydrophobicContact CG-CG 4.31Å; P301-A690 VanDerWaalsContact O-CB 3.24Å; P301-A690 WeakPolarHBondContact O-CB 3.36Å | ||
| 302 | S | 77.5 | Confident | 85.8 | Confident | 22 Ų | 22 | 32.8 Ų | 32.8 | 15% | 0.154 | 17% | 0.167 | C | C | . | . | trans | -150 | -179.7 | -177 | 85.7 | 0 | 0 | 0 | 0 | 111.6 | M300 E304 G307 Y308 R311 | M300-S302 PolarHBondContact O-N 2.8Å; S302-E304 PolarHBondContact OG-N 2.87Å; S302-E304 PolarHBondContact OG-O 2.82Å; S302-G307 VanDerWaalsContact N-C 3.35Å; S302-G307 PolarHBondContact N-O 2.88Å; S302-G307 CarbonylContact O-C 3.58Å; S302-G307 WeakPolarHBondContact OG-CA 3.37Å; S302-Y308 VanDerWaalsContact O-CA 3.3Å; S302-Y308 WeakPolarHBondContact O-CA 3.44Å; S302-Y308 PolarHBondContact O-N 2.93Å; S302-R311 WeakPolarHBondContact O-CD 3.48Å; S302-R311 PolarHBondContact O-NH1 2.77Å | ||
| 303 | N | 68.3 | Low | 85.6 | Confident | 117 Ų | 117 | 32.8 Ų | 32.8 | 63% | 0.626 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -88.9 | -1.2 | 176.8 | -72.4 | -25 | 0 | 0 | 0 | 113.5 | R311 | N303-R311 PolarHBondContact OD1-NH1 2.84Š|
| 304 | E | 68.6 | Low | 85.6 | Confident | 138 Ų | 138 | 32.8 Ų | 32.8 | 65% | 0.645 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -139.6 | 156.3 | -170.5 | -63.7 | -178.8 | 178.3 | 0 | 0 | 112.9 | S302 R306 G307 Y308 | S302-E304 PolarHBondContact OG-N 2.87Å; S302-E304 PolarHBondContact OG-O 2.82Å; E304-R306 PolarHBondContact O-N 2.93Å; E304-G307 PolarHBondContact O-N 2.87Å; E304-Y308 PolarHBondContact O-N 2.89Å |
| 305 | N | 73.4 | Confident | 85.4 | Confident | 125 Ų | 125 | 34.2 Ų | 34.2 | 67% | 0.668 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | 49.9 | -130.3 | 172.1 | -62.4 | -46.4 | 0 | 0 | 0 | 113.1 | G307 Y308 V309 | N305-G307 VanDerWaalsContact C-N 3.35Å; N305-G307 PolarHBondContact O-N 3.39Å; N305-Y308 WeakPolarHBondContact O-CB 3.36Å; N305-Y308 PolarHBondContact O-N 2.87Å; N305-V309 PolarHBondContact O-N 2.8Å |
| 306 | R | 84.5 | Confident | 85.2 | Confident | 72 Ų | 72 | 34.3 Ų | 34.3 | 27% | 0.272 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -66.3 | -36 | -178.6 | -64.4 | 174.9 | -179.6 | 114 | 4.4 | 112.6 | L37 L38 F39 V299 E304 Y308 V309 L310 | L37-R306 PolarHBondContact O-NH2 2.81Å; L38-R306 HydrophobicContact CD1-CG 3.65Å; L38-R306 HydrophobicContact CG-CG 4.07Å; L38-R306 WeakPolarHBondContact O-CD 3.26Å; L38-R306 PolarHBondContact O-NE 2.94Å; F39-R306 HydrophobicContact CD1-CG 4.4Å; F39-R306 HydrophobicContact CE1-CB 3.75Å; F39-R306 HydrophobicContact CE1-CG 3.72Å; F39-R306 HydrophobicContact CZ-CB 3.82Å; F39-R306 HydrophobicContact CZ-CG 3.98Å; V299-R306 HydrophobicContact CG1-CB 3.85Å; V299-R306 HydrophobicContact CG2-CB 4.46Å; E304-R306 PolarHBondContact O-N 2.93Å; R306-Y308 VanDerWaalsContact C-N 3.29Å; R306-Y308 PolarHBondContact O-N 2.92Å; R306-V309 PolarHBondContact O-N 3.47Å; R306-L310 PolarHBondContact O-N 2.91Å |
| 307 | G | 83.2 | Confident | 85.3 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 7% | 0.072 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.5 | -31.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M300 S302 E304 N305 R311 | M300-G307 WeakPolarHBondContact O-CA 3.24Å; S302-G307 VanDerWaalsContact N-C 3.35Å; S302-G307 PolarHBondContact N-O 2.88Å; S302-G307 CarbonylContact O-C 3.58Å; S302-G307 WeakPolarHBondContact OG-CA 3.37Å; E304-G307 PolarHBondContact O-N 2.87Å; N305-G307 VanDerWaalsContact C-N 3.35Å; N305-G307 PolarHBondContact O-N 3.39Å; G307-R311 VanDerWaalsContact O-CB 3.25Å; G307-R311 WeakPolarHBondContact O-CB 3.27Å; G307-R311 PolarHBondContact O-N 3.33Å |
| 308 | Y | 80.5 | Confident | 85.5 | Confident | 38 Ų | 38 | 33.8 Ų | 33.8 | 15% | 0.149 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.4 | -49.5 | 169.6 | 171.9 | -103.9 | 0 | 0 | 0 | 112.1 | S302 E304 N305 R306 R311 R312 Y399 | S302-Y308 VanDerWaalsContact O-CA 3.3Å; S302-Y308 WeakPolarHBondContact O-CA 3.44Å; S302-Y308 PolarHBondContact O-N 2.93Å; E304-Y308 PolarHBondContact O-N 2.89Å; N305-Y308 WeakPolarHBondContact O-CB 3.36Å; N305-Y308 PolarHBondContact O-N 2.87Å; R306-Y308 VanDerWaalsContact C-N 3.29Å; R306-Y308 PolarHBondContact O-N 2.92Å; Y308-R311 PolarHBondContact O-N 3.15Å; Y308-R312 WeakPolarHBondContact O-CB 3.32Å; Y308-R312 PolarHBondContact O-N 2.92Å; Y308-Y399 AromaticContact CE2-CE2 3.71Å; Y308-Y399 HydrophobicContact CE2-CE2 3.71Å; Y308-Y399 AromaticContact CE2-CZ 3.79Å; Y308-Y399 WeakPolarHBondContact CE2-OH 3.44Å |
| 309 | V | 87.6 | Confident | 85.6 | Confident | 10 Ų | 10 | 33.2 Ų | 33.2 | 6% | 0.061 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.2 | -43.4 | -179.8 | -179.5 | 0 | 0 | 0 | 0 | 111.3 | L38 F39 A71 N305 R306 R311 R312 I313 | L38-V309 HydrophobicContact CD2-CG2 3.66Å; F39-V309 HydrophobicContact CE2-CB 3.8Å; F39-V309 HydrophobicContact CE2-CG1 3.72Å; F39-V309 HydrophobicContact CE2-CG2 4.2Å; F39-V309 HydrophobicContact CZ-CB 4.02Å; F39-V309 HydrophobicContact CZ-CG1 4.27Å; A71-V309 HydrophobicContact CB-CG1 3.67Å; N305-V309 PolarHBondContact O-N 2.8Å; R306-V309 PolarHBondContact O-N 3.47Å; V309-R311 PolarHBondContact O-N 2.81Å; V309-R312 WeakPolarHBondContact O-CB 3.19Å; V309-R312 PolarHBondContact O-N 3.43Å; V309-I313 HydrophobicContact CG1-CD1 3.8Å; V309-I313 HydrophobicContact CG1-CG1 4.35Å; V309-I313 WeakPolarHBondContact O-CD1 3.37Å; V309-I313 VanDerWaalsContact O-CG1 3.27Å; V309-I313 WeakPolarHBondContact O-CG1 3.45Å; V309-I313 PolarHBondContact O-N 3.47Å |
| 310 | L | 92.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.7 | -49.2 | 173.9 | 173.4 | 60.1 | 0 | 0 | 0 | 111.5 | C291 L294 I295 V299 P301 R306 R312 I313 I314 | C291-L310 HydrophobicContact CB-CD1 3.86Å; L294-L310 HydrophobicContact CB-CD1 4.02Å; L294-L310 HydrophobicContact CB-CD2 4.49Å; L294-L310 HydrophobicContact CD1-CB 4.38Å; L294-L310 HydrophobicContact CD1-CD1 4.02Å; I295-L310 HydrophobicContact CD1-CD2 4.47Å; I295-L310 HydrophobicContact CG1-CD1 4.34Å; I295-L310 HydrophobicContact CG1-CD2 3.71Å; V299-L310 HydrophobicContact CB-CD2 4.17Å; V299-L310 HydrophobicContact CG1-CB 4.13Å; V299-L310 HydrophobicContact CG1-CD2 3.83Å; V299-L310 WeakPolarHBondContact O-CD2 3.4Å; P301-L310 HydrophobicContact CG-CD2 4.03Å; P301-L310 HydrophobicContact CG-CG 4.26Å; R306-L310 PolarHBondContact O-N 2.91Å; L310-R312 VanDerWaalsContact C-N 3.3Å; L310-R312 PolarHBondContact O-N 3.43Å; L310-I313 PolarHBondContact O-N 2.8Å; L310-I314 HydrophobicContact CD1-CD1 3.87Å; L310-I314 HydrophobicContact CD1-CG1 4.1Å; L310-I314 HydrophobicContact CG-CD1 3.89Å; L310-I314 VanDerWaalsContact O-CG1 3.32Å; L310-I314 WeakPolarHBondContact O-CG1 3.5Å; L310-I314 PolarHBondContact O-N 3Å |
| 311 | R | 90.1 | Very high | 86.2 | Confident | 31 Ų | 31 | 31.1 Ų | 31.1 | 12% | 0.117 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57 | -44.2 | 176.3 | 173.6 | 172 | -76.5 | 165.5 | 4.8 | 111.7 | P301 S302 N303 G307 Y308 V309 I314 R315 E363 | P301-R311 HydrophobicContact CB-CB 4.11Å; P301-R311 PolarHBondContact O-NH2 3.37Å; S302-R311 WeakPolarHBondContact O-CD 3.48Å; S302-R311 PolarHBondContact O-NH1 2.77Å; N303-R311 PolarHBondContact OD1-NH1 2.84Å; G307-R311 VanDerWaalsContact O-CB 3.25Å; G307-R311 WeakPolarHBondContact O-CB 3.27Å; G307-R311 PolarHBondContact O-N 3.33Å; Y308-R311 PolarHBondContact O-N 3.15Å; V309-R311 PolarHBondContact O-N 2.81Å; R311-I314 PolarHBondContact O-N 2.78Å; R311-R315 HydrophobicContact CG-CG 4.39Å; R311-R315 WeakPolarHBondContact O-CB 3.36Å; R311-R315 VanDerWaalsContact O-CG 3.23Å; R311-R315 WeakPolarHBondContact O-CG 3.39Å; R311-R315 PolarHBondContact O-N 3.1Å; R311-E363 IonicContact CZ-OE2 2.69Å; R311-E363 IonicContact NE-OE1 3.11Å; R311-E363 PolarHBondContact NE-OE1 3.13Å; R311-E363 IonicContact NE-OE2 3.9Å; R311-E363 PolarHBondContact NE-OE2 2.67Å; R311-E363 VanDerWaalsContact NE-OE2 3.12Å; R311-E363 IonicContact NH2-OE2 2.88Å; R311-E363 PolarHBondContact NH2-OE2 3.31Å |
| 312 | R | 87.3 | Confident | 86.3 | Confident | 40 Ų | 40 | 34.1 Ų | 34.1 | 15% | 0.151 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.4 | -48.5 | 177.5 | -171.3 | -179.3 | 168.2 | 176.4 | 2 | 111.3 | L78 Y308 V309 L310 R315 R316 D407 | L78-R312 HydrophobicContact CD2-CG 4.42Å; Y308-R312 WeakPolarHBondContact O-CB 3.32Å; Y308-R312 PolarHBondContact O-N 2.92Å; V309-R312 WeakPolarHBondContact O-CB 3.19Å; V309-R312 PolarHBondContact O-N 3.43Å; L310-R312 VanDerWaalsContact C-N 3.3Å; L310-R312 PolarHBondContact O-N 3.43Å; R312-R315 PolarHBondContact O-N 2.93Å; R312-R316 WeakPolarHBondContact O-CB 3.38Å; R312-R316 PolarHBondContact O-N 2.7Å; R312-D407 VanDerWaalsContact CD-OD2 3.28Å; R312-D407 WeakPolarHBondContact CD-OD2 3.45Å; R312-D407 WeakPolarHBondContact CG-OD2 3.35Å; R312-D407 IonicContact CZ-OD1 3.91Å; R312-D407 IonicContact CZ-OD2 3.75Å; R312-D407 IonicContact NE-OD1 2.73Å; R312-D407 PolarHBondContact NE-OD1 3.35Å; R312-D407 IonicContact NE-OD2 2.7Å; R312-D407 PolarHBondContact NE-OD2 3Å; R312-D407 IonicContact NH2-OD1 3.19Å; R312-D407 PolarHBondContact NH2-OD1 3.11Å; R312-D407 IonicContact NH2-OD2 2.79Å |
| 313 | I | 93.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.1 | -45.2 | 179.5 | -59.7 | 159.4 | 0 | 0 | 0 | 111.4 | A71 L78 T89 H287 C291 L294 V309 L310 R315 R316 A317 | A71-I313 HydrophobicContact CB-CD1 3.87Å; A71-I313 HydrophobicContact CB-CG1 4.43Å; L78-I313 HydrophobicContact CD1-CG1 4.03Å; T89-I313 HydrophobicContact CG2-CD1 3.68Å; T89-I313 HydrophobicContact CG2-CG1 4.18Å; T89-I313 HydrophobicContact CG2-CG2 4.42Å; H287-I313 HydrophobicContact CB-CG2 3.67Å; H287-I313 PolarHBondContact CD2-O 3.38Å; H287-I313 VanDerWaalsContact CG-CG2 3.47Å; C291-I313 WeakPolarHBondContact SG-CG2 3.47Å; L294-I313 HydrophobicContact CD1-CD1 4.46Å; V309-I313 HydrophobicContact CG1-CD1 3.8Å; V309-I313 HydrophobicContact CG1-CG1 4.35Å; V309-I313 WeakPolarHBondContact O-CD1 3.37Å; V309-I313 VanDerWaalsContact O-CG1 3.27Å; V309-I313 WeakPolarHBondContact O-CG1 3.45Å; V309-I313 PolarHBondContact O-N 3.47Å; L310-I313 PolarHBondContact O-N 2.8Å; I313-R315 PolarHBondContact O-N 3.32Å; I313-R316 PolarHBondContact O-N 2.98Å; I313-A317 PolarHBondContact O-N 3.3Å |
| 314 | I | 94.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.3 | -51.4 | 176.8 | -65.9 | 167.1 | 0 | 0 | 0 | 110.1 | C291 P301 L310 R311 R316 A317 V318 F331 L360 E363 | C291-I314 HydrophobicContact CB-CG1 4.02Å; C291-I314 WeakPolarHBondContact SG-CG1 3.27Å; P301-I314 HydrophobicContact CB-CD1 4.49Å; P301-I314 HydrophobicContact CG-CD1 3.66Å; L310-I314 HydrophobicContact CD1-CD1 3.87Å; L310-I314 HydrophobicContact CD1-CG1 4.1Å; L310-I314 HydrophobicContact CG-CD1 3.89Å; L310-I314 VanDerWaalsContact O-CG1 3.32Å; L310-I314 WeakPolarHBondContact O-CG1 3.5Å; L310-I314 PolarHBondContact O-N 3Å; R311-I314 PolarHBondContact O-N 2.78Å; I314-R316 VanDerWaalsContact C-N 3.32Å; I314-R316 PolarHBondContact O-N 2.8Å; I314-A317 WeakPolarHBondContact O-CB 3.2Å; I314-A317 PolarHBondContact O-N 2.85Å; I314-A317 VanDerWaalsContact O-N 3.16Å; I314-V318 HydrophobicContact CG2-CG2 4.29Å; I314-V318 WeakPolarHBondContact O-CG2 3.47Å; I314-V318 PolarHBondContact O-N 3.28Å; I314-F331 HydrophobicContact CB-CE1 4.44Å; I314-F331 HydrophobicContact CG1-CE1 4.18Å; I314-F331 HydrophobicContact CG2-CD1 4.17Å; I314-F331 HydrophobicContact CG2-CE1 4.24Å; I314-L360 HydrophobicContact CD1-CD2 3.83Å; I314-L360 HydrophobicContact CG1-CD2 3.92Å; I314-E363 HydrophobicContact CB-CG 4.37Å; I314-E363 HydrophobicContact CD1-CB 4.42Å; I314-E363 HydrophobicContact CD1-CG 4.15Å; I314-E363 HydrophobicContact CG2-CB 4.33Å; I314-E363 HydrophobicContact CG2-CG 3.85Å |
| 315 | R | 91.1 | Very high | 88.8 | Confident | 29 Ų | 29 | 28.3 Ų | 28.3 | 11% | 0.109 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64 | -37.7 | -176.4 | -69.4 | -178.4 | 178 | -166.8 | 1.1 | 112.3 | R311 R312 I313 V318 R319 E363 F367 G403 P405 | R311-R315 HydrophobicContact CG-CG 4.39Å; R311-R315 WeakPolarHBondContact O-CB 3.36Å; R311-R315 VanDerWaalsContact O-CG 3.23Å; R311-R315 WeakPolarHBondContact O-CG 3.39Å; R311-R315 PolarHBondContact O-N 3.1Å; R312-R315 PolarHBondContact O-N 2.93Å; I313-R315 PolarHBondContact O-N 3.32Å; R315-V318 PolarHBondContact O-N 3.34Å; R315-R319 PolarHBondContact O-N 3.02Å; R315-E363 IonicContact CZ-OE1 3.56Å; R315-E363 VanDerWaalsContact CZ-OE1 3.28Å; R315-E363 IonicContact NE-OE1 3.08Å; R315-E363 PolarHBondContact NE-OE1 3.06Å; R315-E363 IonicContact NH2-OE1 3.97Å; R315-E363 PolarHBondContact NH2-OE1 3.29Å; R315-F367 HydrophobicContact CB-CD1 3.92Å; R315-F367 HydrophobicContact CB-CD2 4.21Å; R315-F367 HydrophobicContact CB-CE1 3.8Å; R315-F367 HydrophobicContact CB-CE2 4.11Å; R315-F367 HydrophobicContact CB-CG 4.13Å; R315-F367 HydrophobicContact CB-CZ 3.92Å; R315-F367 VanDerWaalsContact CD-CD2 3.47Å; R315-F367 HydrophobicContact CG-CB 4.05Å; R315-F367 HydrophobicContact CG-CD1 3.81Å; R315-F367 HydrophobicContact CG-CD2 3.66Å; R315-F367 HydrophobicContact CG-CE1 4.17Å; R315-F367 HydrophobicContact CG-CE2 4.05Å; R315-F367 HydrophobicContact CG-CG 3.55Å; R315-F367 HydrophobicContact CG-CZ 4.29Å; R315-F367 WeakPolarHBondContact O-CE1 3.38Å; R315-G403 PolarHBondContact NH1-O 2.98Å; R315-P405 HydrophobicContact CB-CG 4.1Å |
| 316 | R | 90.5 | Very high | 89.5 | Confident | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 172.7 | -175.9 | 167.9 | -179.4 | -127.1 | 14.5 | 111.8 | L78 V283 H287 R312 I313 I314 V318 R319 H320 D411 | L78-R316 VanDerWaalsContact O-CZ 3.25Å; L78-R316 PolarHBondContact O-NH1 3.42Å; L78-R316 PolarHBondContact O-NH2 3.13Å; V283-R316 HydrophobicContact CG1-CG 4.44Å; H287-R316 PolarHBondContact CE1-NH1 2.84Å; H287-R316 VanDerWaalsContact CE1-NH1 3.25Å; H287-R316 PolarHBondContact NE2-NH1 3.16Å; R312-R316 WeakPolarHBondContact O-CB 3.38Å; R312-R316 PolarHBondContact O-N 2.7Å; I313-R316 PolarHBondContact O-N 2.98Å; I314-R316 VanDerWaalsContact C-N 3.32Å; I314-R316 PolarHBondContact O-N 2.8Å; R316-V318 PolarHBondContact O-N 3.09Å; R316-R319 PolarHBondContact O-N 2.85Å; R316-H320 PolarHBondContact O-CD2 3.26Å; R316-H320 VanDerWaalsContact O-CD2 3.31Å; R316-H320 PolarHBondContact O-N 3.29Å; R316-H320 VanDerWaalsContact O-N 3.1Å; R316-D411 IonicContact NE-OD2 2.87Å; R316-D411 PolarHBondContact NE-OD2 3.26Å |
| 317 | A | 94.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.8 | -44.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H287 I313 I314 R319 H320 G321 F331 | H287-A317 HydrophobicContact CB-CB 3.82Å; I313-A317 PolarHBondContact O-N 3.3Å; I314-A317 WeakPolarHBondContact O-CB 3.2Å; I314-A317 PolarHBondContact O-N 2.85Å; I314-A317 VanDerWaalsContact O-N 3.16Å; A317-R319 VanDerWaalsContact C-N 3.32Å; A317-R319 PolarHBondContact O-N 2.81Å; A317-H320 PolarHBondContact O-N 3.24Å; A317-G321 PolarHBondContact O-N 3.39Å; A317-F331 HydrophobicContact CB-CD2 4Å; A317-F331 HydrophobicContact CB-CE1 4.35Å; A317-F331 HydrophobicContact CB-CE2 3.5Å; A317-F331 HydrophobicContact CB-CZ 3.7Å |
| 318 | V | 93.1 | Very high | 89.6 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.6 | -38.9 | 178.9 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | I314 R315 R316 G321 N322 F331 E364 F367 | I314-V318 HydrophobicContact CG2-CG2 4.29Å; I314-V318 WeakPolarHBondContact O-CG2 3.47Å; I314-V318 PolarHBondContact O-N 3.28Å; R315-V318 PolarHBondContact O-N 3.34Å; R316-V318 PolarHBondContact O-N 3.09Å; V318-G321 PolarHBondContact O-N 3.45Å; V318-N322 PolarHBondContact O-N 3.23Å; V318-N322 PolarHBondContact O-ND2 3.35Å; V318-F331 HydrophobicContact CG2-CB 4.37Å; V318-E364 HydrophobicContact CG1-CG 4Å; V318-E364 HydrophobicContact CG2-CB 4.12Å; V318-E364 HydrophobicContact CG2-CG 3.67Å; V318-F367 HydrophobicContact CB-CD1 4.04Å; V318-F367 HydrophobicContact CB-CE1 4.34Å; V318-F367 HydrophobicContact CG1-CD1 3.84Å; V318-F367 HydrophobicContact CG1-CE1 4.27Å |
| 319 | R | 87.6 | Confident | 90.3 | Very high | 9 Ų | 9 | 35.7 Ų | 35.7 | 3% | 0.034 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66 | -45.6 | 174.1 | 170.1 | -110.7 | -178.1 | 91.1 | -4.3 | 112.7 | R315 R316 A317 G321 N322 M323 L371 L408 V412 E415 | R315-R319 PolarHBondContact O-N 3.02Å; R316-R319 PolarHBondContact O-N 2.85Å; A317-R319 VanDerWaalsContact C-N 3.32Å; A317-R319 PolarHBondContact O-N 2.81Å; R319-G321 PolarHBondContact O-N 3.4Å; R319-N322 WeakPolarHBondContact O-CB 3.46Å; R319-N322 PolarHBondContact O-N 2.99Å; R319-M323 HydrophobicContact CG-SD 4.39Å; R319-M323 PolarHBondContact NE-SD 2.62Å; R319-M323 WeakPolarHBondContact O-CG 3.3Å; R319-M323 PolarHBondContact O-N 3.17Å; R319-L371 HydrophobicContact CB-CD1 4.4Å; R319-L408 HydrophobicContact CB-CD2 3.08Å; R319-L408 HydrophobicContact CB-CG 4.47Å; R319-L408 HydrophobicContact CG-CD2 3.2Å; R319-L408 VanDerWaalsContact NH1-C 3.34Å; R319-L408 PolarHBondContact NH1-O 2.9Å; R319-V412 VanDerWaalsContact NH2-CA 3.29Å; R319-E415 IonicContact CZ-OE1 3.2Å; R319-E415 IonicContact NE-OE1 2.95Å; R319-E415 IonicContact NH2-OE1 3.8Å; R319-E415 PolarHBondContact NH2-OE1 3.09Å; R319-E415 IonicContact NH2-OE2 3.74Å |
| 320 | H | 91.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.3 | -33.9 | 173.7 | -82.5 | -73.8 | 0 | 0 | 0 | 111.6 | S280 V283 I284 R316 A317 M323 L324 D411 | S280-H320 WeakPolarHBondContact CB-ND1 3.13Å; S280-H320 PolarHBondContact OG-ND1 3.12Å; V283-H320 VanDerWaalsContact CG1-CD2 3.42Å; V283-H320 WeakPolarHBondContact CG1-CD2 3.48Å; I284-H320 HydrophobicContact CD1-CB 4.03Å; I284-H320 HydrophobicContact CG1-CB 3.84Å; R316-H320 PolarHBondContact O-CD2 3.26Å; R316-H320 VanDerWaalsContact O-CD2 3.31Å; R316-H320 PolarHBondContact O-N 3.29Å; R316-H320 VanDerWaalsContact O-N 3.1Å; A317-H320 PolarHBondContact O-N 3.24Å; H320-M323 PolarHBondContact O-N 3.35Å; H320-L324 VanDerWaalsContact O-CG 3.31Å; H320-L324 WeakPolarHBondContact O-CG 3.24Å; H320-L324 PolarHBondContact O-N 2.67Å; H320-D411 IonicContact NE2-OD2 3.4Å |
| 321 | G | 93.1 | Very high | 91 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.5 | -44.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A317 V318 R319 M323 L324 G325 A326 F330 | A317-G321 PolarHBondContact O-N 3.39Å; V318-G321 PolarHBondContact O-N 3.45Å; R319-G321 PolarHBondContact O-N 3.4Å; G321-M323 VanDerWaalsContact C-N 3.31Å; G321-M323 PolarHBondContact O-N 2.99Å; G321-L324 CarbonylContact O-C 3.57Å; G321-L324 WeakPolarHBondContact O-CB 3.46Å; G321-L324 PolarHBondContact O-N 3.46Å; G321-L324 VanDerWaalsContact O-N 3.09Å; G321-G325 PolarHBondContact O-N 3.42Å; G321-A326 VanDerWaalsContact O-CB 3.24Å; G321-A326 WeakPolarHBondContact O-CB 3.26Å; G321-A326 PolarHBondContact O-N 3.05Å; G321-F330 VanDerWaalsContact CA-CZ 3.47Å |
| 322 | N | 88.2 | Confident | 91.3 | Very high | 74 Ų | 74 | 36.1 Ų | 36.1 | 40% | 0.396 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.2 | -40 | 174.7 | -82.7 | -93.7 | 0 | 0 | 0 | 111.7 | V318 R319 L324 G325 A326 L371 | V318-N322 PolarHBondContact O-N 3.23Å; V318-N322 PolarHBondContact O-ND2 3.35Å; R319-N322 WeakPolarHBondContact O-CB 3.46Å; R319-N322 PolarHBondContact O-N 2.99Å; N322-L324 PolarHBondContact O-N 3.28Å; N322-G325 WeakPolarHBondContact O-CA 3.36Å; N322-G325 PolarHBondContact O-N 3.04Å; N322-A326 PolarHBondContact OD1-O 3.05Å; N322-L371 HydrophobicContact CB-CD2 4.19Å; N322-L371 WeakPolarHBondContact ND2-CD2 3.22Å |
| 323 | M | 87.5 | Confident | 91.8 | Very high | 85 Ų | 85 | 37.9 Ų | 37.9 | 42% | 0.419 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.3 | -31.3 | 174.2 | -67.7 | 171.3 | 68 | 0 | 0 | 112.8 | R319 H320 G321 G325 E415 | R319-M323 HydrophobicContact CG-SD 4.39Å; R319-M323 PolarHBondContact NE-SD 2.62Å; R319-M323 WeakPolarHBondContact O-CG 3.3Å; R319-M323 PolarHBondContact O-N 3.17Å; H320-M323 PolarHBondContact O-N 3.35Å; G321-M323 VanDerWaalsContact C-N 3.31Å; G321-M323 PolarHBondContact O-N 2.99Å; M323-G325 VanDerWaalsContact C-N 3.26Å; M323-E415 WeakPolarHBondContact CE-OE1 3.43Å |
| 324 | L | 92.1 | Very high | 92.1 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 12% | 0.12 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -6.1 | 174.3 | -68.3 | 171.4 | 0 | 0 | 0 | 113.2 | T271 A273 N278 L281 I284 H320 G321 N322 | T271-L324 HydrophobicContact CG2-CD1 4.25Å; A273-L324 HydrophobicContact CB-CB 4.26Å; A273-L324 HydrophobicContact CB-CD1 4.4Å; A273-L324 HydrophobicContact CB-CD2 3.9Å; A273-L324 HydrophobicContact CB-CG 4.41Å; N278-L324 HydrophobicContact CB-CD2 4.08Å; L281-L324 HydrophobicContact CD2-CD1 3.52Å; L281-L324 HydrophobicContact CG-CD1 4.01Å; L281-L324 HydrophobicContact CG-CD2 4.47Å; I284-L324 HydrophobicContact CD1-CD1 3.67Å; H320-L324 VanDerWaalsContact O-CG 3.31Å; H320-L324 WeakPolarHBondContact O-CG 3.24Å; H320-L324 PolarHBondContact O-N 2.67Å; G321-L324 CarbonylContact O-C 3.57Å; G321-L324 WeakPolarHBondContact O-CB 3.46Å; G321-L324 PolarHBondContact O-N 3.46Å; G321-L324 VanDerWaalsContact O-N 3.09Å; N322-L324 PolarHBondContact O-N 3.28Å |
| 325 | G | 87.5 | Confident | 92.2 | Very high | 46 Ų | 46 | 37.9 Ų | 37.9 | 47% | 0.474 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 100 | 9.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G321 N322 M323 K327 | G321-G325 PolarHBondContact O-N 3.42Å; N322-G325 WeakPolarHBondContact O-CA 3.36Å; N322-G325 PolarHBondContact O-N 3.04Å; M323-G325 VanDerWaalsContact C-N 3.26Å; G325-K327 PolarHBondContact O-N 3.03Å |
| 326 | A | 89.3 | Confident | 92.5 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 7% | 0.074 | 19% | 0.192 | C | C | . | . | trans | -66 | 123 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | T271 G321 N322 F330 | T271-A326 HydrophobicContact CG2-CB 4.21Å; G321-A326 VanDerWaalsContact O-CB 3.24Å; G321-A326 WeakPolarHBondContact O-CB 3.26Å; G321-A326 PolarHBondContact O-N 3.05Å; N322-A326 PolarHBondContact OD1-O 3.05Å; A326-F330 HydrophobicContact CB-CD1 3.59Å; A326-F330 HydrophobicContact CB-CE1 3.97Å; A326-F330 HydrophobicContact CB-CG 4.2Å | ||
| 327 | K | 81.5 | Confident | 92.8 | Very high | 206 Ų | 206 | 39 Ų | 39 | 90% | 0.896 | 20% | 0.203 | S | C | * | . | trans | -105.8 | -24.8 | 178.8 | -64.2 | -172.5 | 178.2 | -176 | 0 | 114 | G325 | G325-K327 PolarHBondContact O-N 3.03Š| ||
| 328 | E | 88.4 | Confident | 93 | Very high | 149 Ų | 149 | 39 Ų | 39 | 70% | 0.696 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -105.2 | 163.1 | 178.2 | -64.2 | -177.5 | 178.2 | 0 | 0 | 109.8 | F330 | E328-F330 PolarHBondContact O-N 2.9Š|
| 329 | T | 94.1 | Very high | 93.2 | Very high | 34 Ų | 34 | 39.3 Ų | 39.3 | 21% | 0.209 | 21% | 0.205 | C | C | . | . | trans | -57.1 | 124 | 171.2 | 48.6 | 0 | 0 | 0 | 0 | 110 | K333 E364 E365 | T329-K333 VanDerWaalsContact O-CE 3.24Å; T329-K333 WeakPolarHBondContact O-CE 3.46Å; T329-K333 PolarHBondContact O-NZ 3.49Å; T329-E364 VanDerWaalsContact CA-CD 3.5Å; T329-E364 WeakPolarHBondContact CA-OE1 3.32Å; T329-E364 WeakPolarHBondContact CB-OE2 3.37Å; T329-E364 HydrophobicContact CG2-CB 4.32Å; T329-E364 HydrophobicContact CG2-CG 3.93Å; T329-E365 HydrophobicContact CG2-CG 3.6Å | ||
| 330 | F | 96.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.009 | 24% | 0.237 | C | C | . | . | trans | -130.4 | -27.8 | -173.3 | 77.5 | -86.7 | 0 | 0 | 0 | 112.7 | V270 T271 I284 G321 A326 E328 Y332 K333 L334 E364 | V270-F330 HydrophobicContact CB-CB 4.25Å; V270-F330 HydrophobicContact CG2-CB 4.15Å; V270-F330 HydrophobicContact CG2-CD2 3.75Å; V270-F330 HydrophobicContact CG2-CG 4.39Å; T271-F330 HydrophobicContact CG2-CD2 3.8Å; T271-F330 HydrophobicContact CG2-CE2 3.85Å; T271-F330 HydrophobicContact CG2-CG 4.27Å; T271-F330 HydrophobicContact CG2-CZ 4.35Å; I284-F330 HydrophobicContact CD1-CE2 4.3Å; I284-F330 HydrophobicContact CD1-CZ 4.37Å; I284-F330 HydrophobicContact CG2-CE2 3.99Å; G321-F330 VanDerWaalsContact CA-CZ 3.47Å; A326-F330 HydrophobicContact CB-CD1 3.59Å; A326-F330 HydrophobicContact CB-CE1 3.97Å; A326-F330 HydrophobicContact CB-CG 4.2Å; E328-F330 PolarHBondContact O-N 2.9Å; F330-Y332 VanDerWaalsContact C-N 3.35Å; F330-Y332 PolarHBondContact O-N 3.09Å; F330-K333 VanDerWaalsContact O-CB 3.29Å; F330-K333 WeakPolarHBondContact O-CB 3.35Å; F330-K333 PolarHBondContact O-N 2.81Å; F330-L334 HydrophobicContact CD2-CD1 4.47Å; F330-L334 HydrophobicContact CE2-CD1 4.41Å; F330-E364 WeakPolarHBondContact CD1-OE1 3.23Å; F330-E364 WeakPolarHBondContact CE1-OE1 3.44Å; F330-E364 PolarHBondContact N-OE1 2.96Å; F330-E364 PolarHBondContact N-OE2 2.87Å; F330-E364 VanDerWaalsContact N-OE2 3.16Å | ||
| 331 | F | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -65.4 | -40.4 | -166.7 | -170.9 | -127 | 0 | 0 | 0 | 111.6 | I284 H287 I288 C291 I314 A317 V318 K333 L334 L360 E364 | I284-F331 HydrophobicContact CG2-CD2 4.15Å; I284-F331 HydrophobicContact CG2-CE2 4.17Å; H287-F331 HydrophobicContact CB-CZ 4.39Å; I288-F331 HydrophobicContact CB-CD2 4.5Å; I288-F331 HydrophobicContact CB-CE2 3.67Å; I288-F331 HydrophobicContact CB-CZ 3.99Å; I288-F331 HydrophobicContact CD1-CD1 4.4Å; I288-F331 HydrophobicContact CD1-CD2 4.13Å; I288-F331 HydrophobicContact CD1-CE1 4.11Å; I288-F331 HydrophobicContact CD1-CE2 3.83Å; I288-F331 HydrophobicContact CD1-CG 4.41Å; I288-F331 HydrophobicContact CD1-CZ 3.83Å; I288-F331 WeakPolarHBondContact CD1-O 3.37Å; I288-F331 HydrophobicContact CG1-CE2 4.33Å; C291-F331 HydrophobicContact CB-CE1 4.01Å; C291-F331 HydrophobicContact CB-CZ 4.19Å; I314-F331 HydrophobicContact CB-CE1 4.44Å; I314-F331 HydrophobicContact CG1-CE1 4.18Å; I314-F331 HydrophobicContact CG2-CD1 4.17Å; I314-F331 HydrophobicContact CG2-CE1 4.24Å; A317-F331 HydrophobicContact CB-CD2 4Å; A317-F331 HydrophobicContact CB-CE1 4.35Å; A317-F331 HydrophobicContact CB-CE2 3.5Å; A317-F331 HydrophobicContact CB-CZ 3.7Å; V318-F331 HydrophobicContact CG2-CB 4.37Å; F331-K333 PolarHBondContact O-N 2.92Å; F331-L334 HydrophobicContact CD2-CD1 4.01Å; F331-L334 HydrophobicContact CE2-CD1 4.48Å; F331-L334 WeakPolarHBondContact O-CB 2.98Å; F331-L334 PolarHBondContact O-N 3.1Å; F331-L334 VanDerWaalsContact O-N 3.17Å; F331-L360 HydrophobicContact CD1-CB 4.49Å; F331-L360 HydrophobicContact CD1-CD1 4.34Å; F331-L360 HydrophobicContact CD1-CD2 3.87Å; F331-L360 HydrophobicContact CD1-CG 4.47Å; F331-L360 HydrophobicContact CE1-CD1 4.43Å; F331-L360 HydrophobicContact CE1-CD2 3.71Å; F331-E364 PolarHBondContact N-OE1 2.89Å; F331-E364 PolarHBondContact N-OE2 3.06Å |
| 332 | Y | 97.6 | Very high | 93.7 | Very high | 48 Ų | 48 | 46.4 Ų | 46.4 | 19% | 0.188 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -62.5 | -26.6 | 175.5 | 80.8 | -85 | 0 | 0 | 0 | 113.5 | F330 L334 V335 E357 K361 | F330-Y332 VanDerWaalsContact C-N 3.35Å; F330-Y332 PolarHBondContact O-N 3.09Å; Y332-L334 PolarHBondContact O-N 3.22Å; Y332-L334 VanDerWaalsContact O-N 3.15Å; Y332-V335 WeakPolarHBondContact O-CG2 3.42Å; Y332-V335 PolarHBondContact O-N 3.41Å; Y332-E357 WeakPolarHBondContact CB-O 3.31Å; Y332-E357 HydrophobicContact CD2-CB 4.19Å; Y332-E357 HydrophobicContact CD2-CG 4.43Å; Y332-K361 HydrophobicContact CD1-CB 3.89Å; Y332-K361 HydrophobicContact CD1-CD 4.39Å; Y332-K361 HydrophobicContact CD1-CG 4Å; Y332-K361 HydrophobicContact CE1-CB 4.49Å; Y332-K361 HydrophobicContact CE1-CD 4.18Å; Y332-K361 HydrophobicContact CE1-CG 4.14Å; Y332-K361 HydrophobicContact CG-CB 3.91Å; Y332-K361 HydrophobicContact CG-CG 4.43Å |
| 333 | K | 97.9 | Very high | 93.7 | Very high | 76 Ų | 76 | 44.6 Ų | 44.6 | 33% | 0.33 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -69 | -11.2 | 179.5 | -57.9 | 173.7 | 178.2 | 151.8 | 0 | 112.5 | V270 T329 F330 F331 P337 | V270-K333 HydrophobicContact CG1-CB 4.17Å; T329-K333 VanDerWaalsContact O-CE 3.24Å; T329-K333 WeakPolarHBondContact O-CE 3.46Å; T329-K333 PolarHBondContact O-NZ 3.49Å; F330-K333 VanDerWaalsContact O-CB 3.29Å; F330-K333 WeakPolarHBondContact O-CB 3.35Å; F330-K333 PolarHBondContact O-N 2.81Å; F331-K333 PolarHBondContact O-N 2.92Å; K333-P337 WeakPolarHBondContact O-CD 3.44Å |
| 334 | L | 98.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -87.2 | -9.3 | 178.9 | -61.8 | 170.7 | 0 | 0 | 0 | 113.5 | A266 V267 V270 I284 I288 F330 F331 Y332 P337 L338 | A266-L334 HydrophobicContact CB-CD2 4.12Å; V267-L334 HydrophobicContact CB-CD2 4.5Å; V267-L334 HydrophobicContact CG2-CD1 3.85Å; V267-L334 HydrophobicContact CG2-CD2 3.93Å; V270-L334 HydrophobicContact CG1-CD2 4.49Å; V270-L334 HydrophobicContact CG2-CD2 3.77Å; V270-L334 HydrophobicContact CG2-CG 4.18Å; I284-L334 HydrophobicContact CG2-CD1 3.54Å; I288-L334 HydrophobicContact CB-CB 4.28Å; I288-L334 HydrophobicContact CB-CD1 4.41Å; I288-L334 HydrophobicContact CD1-CB 3.96Å; I288-L334 HydrophobicContact CG1-CB 3.63Å; I288-L334 HydrophobicContact CG2-CB 4.44Å; F330-L334 HydrophobicContact CD2-CD1 4.47Å; F330-L334 HydrophobicContact CE2-CD1 4.41Å; F331-L334 HydrophobicContact CD2-CD1 4.01Å; F331-L334 HydrophobicContact CE2-CD1 4.48Å; F331-L334 WeakPolarHBondContact O-CB 2.98Å; F331-L334 PolarHBondContact O-N 3.1Å; F331-L334 VanDerWaalsContact O-N 3.17Å; Y332-L334 PolarHBondContact O-N 3.22Å; Y332-L334 VanDerWaalsContact O-N 3.15Å; L334-P337 WeakPolarHBondContact O-CD 3.36Å; L334-L338 VanDerWaalsContact O-CB 3.29Å; L334-L338 WeakPolarHBondContact O-CB 3.48Å; L334-L338 PolarHBondContact O-N 3.42Å |
| 335 | V | 98.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 179.1 | -179.8 | 0 | 0 | 0 | 0 | 111.4 | I288 Y332 L338 I339 L349 Q353 V356 E357 L360 | I288-V335 HydrophobicContact CD1-CG2 4.23Å; Y332-V335 WeakPolarHBondContact O-CG2 3.42Å; Y332-V335 PolarHBondContact O-N 3.41Å; V335-L338 WeakPolarHBondContact O-CB 3.18Å; V335-L338 PolarHBondContact O-N 2.87Å; V335-I339 HydrophobicContact CG1-CD1 3.98Å; V335-I339 WeakPolarHBondContact O-CG1 3.35Å; V335-I339 PolarHBondContact O-N 3.25Å; V335-L349 HydrophobicContact CG1-CD1 4.47Å; V335-Q353 HydrophobicContact CG1-CG 3.97Å; V335-V356 HydrophobicContact CG1-CB 4.48Å; V335-V356 HydrophobicContact CG1-CG1 4.28Å; V335-V356 HydrophobicContact CG2-CG1 3.91Å; V335-E357 HydrophobicContact CB-CG 3.79Å; V335-E357 HydrophobicContact CG1-CG 4.18Å; V335-E357 HydrophobicContact CG2-CG 3.88Å; V335-L360 HydrophobicContact CG2-CD1 3.61Å |
| 336 | G | 97.3 | Very high | 93.3 | Very high | 15 Ų | 15 | 43 Ų | 43 | 16% | 0.155 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.7 | -58.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L338 I339 D340 | G336-L338 PolarHBondContact O-N 3.27Å; G336-I339 WeakPolarHBondContact O-CB 3.32Å; G336-I339 PolarHBondContact O-N 3.45Å; G336-D340 PolarHBondContact O-N 3.04Å; G336-D340 VanDerWaalsContact O-N 3.1Å |
| 337 | P | 97.5 | Very high | 93.3 | Very high | 39 Ų | 39 | 46.4 Ų | 46.4 | 25% | 0.253 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -53.4 | -36.1 | 174.1 | -28.8 | 34.6 | 0 | 0 | 0 | 114.2 | L263 A266 K333 L334 D340 V341 | L263-P337 HydrophobicContact CD1-CB 4.29Å; A266-P337 HydrophobicContact CB-CB 3.75Å; A266-P337 HydrophobicContact CB-CG 3.95Å; K333-P337 WeakPolarHBondContact O-CD 3.44Å; L334-P337 WeakPolarHBondContact O-CD 3.36Å; P337-D340 PolarHBondContact O-N 3.4Å; P337-V341 WeakPolarHBondContact O-CG1 3.45Å; P337-V341 PolarHBondContact O-N 2.85Å; P337-V341 VanDerWaalsContact O-N 3.15Å |
| 338 | L | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -47.2 | 174.7 | 173.2 | 61.5 | 0 | 0 | 0 | 112 | L263 I288 R289 A292 L334 V335 G336 D340 V341 M342 L349 | L263-L338 HydrophobicContact CD2-CD1 4.47Å; I288-L338 HydrophobicContact CG1-CD2 4.21Å; R289-L338 HydrophobicContact CB-CD1 4.24Å; R289-L338 HydrophobicContact CG-CD1 3.62Å; A292-L338 HydrophobicContact CB-CD2 3.43Å; A292-L338 VanDerWaalsContact CB-CD2 3.43Å; L334-L338 VanDerWaalsContact O-CB 3.29Å; L334-L338 WeakPolarHBondContact O-CB 3.48Å; L334-L338 PolarHBondContact O-N 3.42Å; V335-L338 WeakPolarHBondContact O-CB 3.18Å; V335-L338 PolarHBondContact O-N 2.87Å; G336-L338 PolarHBondContact O-N 3.27Å; L338-D340 VanDerWaalsContact C-N 3.25Å; L338-D340 PolarHBondContact O-N 2.76Å; L338-V341 HydrophobicContact CD1-CG2 4.3Å; L338-V341 VanDerWaalsContact O-CG2 3.29Å; L338-V341 WeakPolarHBondContact O-CG2 3.3Å; L338-V341 PolarHBondContact O-N 3.41Å; L338-M342 HydrophobicContact CD1-CG 3.74Å; L338-M342 HydrophobicContact CD1-SD 4.23Å; L338-M342 HydrophobicContact CG-CG 4.31Å; L338-M342 WeakPolarHBondContact O-CG 3.39Å; L338-M342 PolarHBondContact O-N 2.84Å; L338-L349 HydrophobicContact CD2-CD2 3.7Å; L338-L349 HydrophobicContact CG-CD2 3.96Å |
| 339 | I | 97 | Very high | 93.7 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 6% | 0.056 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.9 | -44.2 | 177.2 | -70.6 | 159.4 | 0 | 0 | 0 | 110.2 | V335 G336 M342 G343 L349 K350 Q353 | V335-I339 HydrophobicContact CG1-CD1 3.98Å; V335-I339 WeakPolarHBondContact O-CG1 3.35Å; V335-I339 PolarHBondContact O-N 3.25Å; G336-I339 WeakPolarHBondContact O-CB 3.32Å; G336-I339 PolarHBondContact O-N 3.45Å; I339-M342 PolarHBondContact O-N 2.83Å; I339-G343 PolarHBondContact O-N 3.35Å; I339-L349 HydrophobicContact CD1-CG 4.27Å; I339-L349 HydrophobicContact CG1-CB 4.36Å; I339-L349 HydrophobicContact CG1-CD2 3.83Å; I339-L349 HydrophobicContact CG1-CG 3.8Å; I339-K350 HydrophobicContact CD1-CB 4.3Å; I339-K350 HydrophobicContact CG1-CB 4.49Å; I339-K350 HydrophobicContact CG2-CB 3.87Å; I339-K350 HydrophobicContact CG2-CD 4.11Å; I339-K350 HydrophobicContact CG2-CG 4.06Å; I339-Q353 HydrophobicContact CD1-CB 3.89Å; I339-Q353 HydrophobicContact CD1-CG 3.81Å |
| 340 | D | 95.2 | Very high | 93.8 | Very high | 131 Ų | 131 | 35.9 Ų | 35.9 | 70% | 0.701 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -62.2 | -45.1 | -179 | -66.8 | -24.2 | 0 | 0 | 0 | 112.2 | G336 P337 L338 G343 | G336-D340 PolarHBondContact O-N 3.04Å; G336-D340 VanDerWaalsContact O-N 3.1Å; P337-D340 PolarHBondContact O-N 3.4Å; L338-D340 VanDerWaalsContact C-N 3.25Å; L338-D340 PolarHBondContact O-N 2.76Å; D340-G343 PolarHBondContact O-N 2.95Å |
| 341 | V | 94.2 | Very high | 93.4 | Very high | 27 Ų | 27 | 44 Ų | 44 | 16% | 0.164 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -74.5 | -24.8 | -179.4 | -59.3 | 0 | 0 | 0 | 0 | 113.6 | L259 T262 P337 L338 | L259-V341 HydrophobicContact CD1-CG2 4.45Å; L259-V341 HydrophobicContact CD2-CG2 4.42Å; L259-V341 HydrophobicContact CG-CB 4.09Å; L259-V341 HydrophobicContact CG-CG2 3.93Å; T262-V341 HydrophobicContact CG2-CG1 3.57Å; P337-V341 WeakPolarHBondContact O-CG1 3.45Å; P337-V341 PolarHBondContact O-N 2.85Å; P337-V341 VanDerWaalsContact O-N 3.15Å; L338-V341 HydrophobicContact CD1-CG2 4.3Å; L338-V341 VanDerWaalsContact O-CG2 3.29Å; L338-V341 WeakPolarHBondContact O-CG2 3.3Å; L338-V341 PolarHBondContact O-N 3.41Å |
| 342 | M | 92.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -76.9 | -24.4 | 176.4 | -66.8 | -62.4 | -59.7 | 0 | 0 | 112.2 | F90 E92 L259 F293 L338 I339 S344 A345 | F90-M342 HydrophobicContact CE1-CE 4.44Å; E92-M342 WeakPolarHBondContact OE1-CE 3.46Å; L259-M342 HydrophobicContact CD1-SD 4.05Å; F293-M342 HydrophobicContact CE2-CE 3.75Å; F293-M342 HydrophobicContact CE2-CG 4.05Å; F293-M342 HydrophobicContact CE2-SD 4.15Å; F293-M342 HydrophobicContact CZ-CE 3.84Å; F293-M342 HydrophobicContact CZ-CG 4.13Å; L338-M342 HydrophobicContact CD1-CG 3.74Å; L338-M342 HydrophobicContact CD1-SD 4.23Å; L338-M342 HydrophobicContact CG-CG 4.31Å; L338-M342 WeakPolarHBondContact O-CG 3.39Å; L338-M342 PolarHBondContact O-N 2.84Å; I339-M342 PolarHBondContact O-N 2.83Å; M342-S344 PolarHBondContact O-N 2.88Å; M342-A345 HydrophobicContact CE-CB 3.98Å; M342-A345 PolarHBondContact O-N 3.43Å |
| 343 | G | 88.4 | Confident | 93 | Very high | 35 Ų | 35 | 46.3 Ų | 46.3 | 36% | 0.361 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | 61 | -131 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I339 D340 A345 G346 | I339-G343 PolarHBondContact O-N 3.35Å; D340-G343 PolarHBondContact O-N 2.95Å; G343-A345 PolarHBondContact O-N 3.47Å; G343-G346 WeakPolarHBondContact O-CA 3.42Å; G343-G346 PolarHBondContact O-N 3Å |
| 344 | S | 85.8 | Confident | 92.7 | Very high | 91 Ų | 91 | 46.3 Ų | 46.3 | 64% | 0.636 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -59.4 | -30.7 | 179.7 | 55 | 0 | 0 | 0 | 0 | 113.6 | M342 G346 E347 | M342-S344 PolarHBondContact O-N 2.88Å; S344-G346 PolarHBondContact O-N 2.88Å; S344-E347 PolarHBondContact O-N 2.91Å |
| 345 | A | 85.7 | Confident | 92.2 | Very high | 29 Ų | 29 | 49.3 Ų | 49.3 | 24% | 0.24 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -69.2 | -13 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | M342 G343 | M342-A345 HydrophobicContact CE-CB 3.98Å; M342-A345 PolarHBondContact O-N 3.43Å; G343-A345 PolarHBondContact O-N 3.47Å |
| 346 | G | 88.4 | Confident | 92.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -94.6 | -2.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | G343 S344 D348 L349 K350 | G343-G346 WeakPolarHBondContact O-CA 3.42Å; G343-G346 PolarHBondContact O-N 3Å; S344-G346 PolarHBondContact O-N 2.88Å; G346-D348 VanDerWaalsContact C-N 3.34Å; G346-D348 PolarHBondContact O-N 3.41Å; G346-L349 WeakPolarHBondContact O-CB 3.37Å; G346-L349 PolarHBondContact O-N 2.8Å; G346-L349 VanDerWaalsContact O-N 3.14Å; G346-K350 WeakPolarHBondContact O-CB 3.4Å; G346-K350 PolarHBondContact O-N 2.95Å |
| 347 | E | 89.6 | Confident | 92.1 | Very high | 82 Ų | 82 | 51 Ų | 51 | 38% | 0.383 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62 | -38.2 | -175.4 | -78.4 | -66.2 | 142.1 | 0 | 0 | 113 | S344 L349 K350 R351 | S344-E347 PolarHBondContact O-N 2.91Å; E347-L349 VanDerWaalsContact C-N 3.32Å; E347-L349 PolarHBondContact O-N 3Å; E347-K350 WeakPolarHBondContact O-CB 3.45Å; E347-K350 PolarHBondContact O-N 2.74Å; E347-K350 IonicContact OE1-NZ 2.57Å; E347-R351 PolarHBondContact O-N 3.02Å; E347-R351 VanDerWaalsContact O-N 3.1Å |
| 348 | D | 85.9 | Confident | 91.9 | Very high | 62 Ų | 62 | 53.9 Ų | 53.9 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.1 | -37.3 | 176.4 | -67.9 | -8.6 | 0 | 0 | 0 | 111.9 | G346 R351 | G346-D348 VanDerWaalsContact C-N 3.34Å; G346-D348 PolarHBondContact O-N 3.41Å; D348-R351 IonicContact OD1-CZ 3.5Å; D348-R351 VanDerWaalsContact OD1-CZ 3.27Å; D348-R351 IonicContact OD1-NH1 2.76Å; D348-R351 PolarHBondContact OD1-NH1 2.89Å; D348-R351 IonicContact OD1-NH2 3.49Å; D348-R351 PolarHBondContact OD1-NH2 3.44Å |
| 349 | L | 92.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.1 | -40.4 | 174.6 | 176.8 | 60.3 | 0 | 0 | 0 | 111 | A292 F293 A296 V335 L338 I339 G346 E347 R351 Q352 Q353 V356 | A292-L349 HydrophobicContact CB-CD1 3.95Å; A292-L349 HydrophobicContact CB-CD2 3.96Å; F293-L349 HydrophobicContact CD1-CB 4.32Å; F293-L349 HydrophobicContact CE1-CB 3.87Å; F293-L349 HydrophobicContact CE1-CD2 4.37Å; F293-L349 HydrophobicContact CE2-CD2 4.42Å; F293-L349 HydrophobicContact CZ-CB 4.38Å; F293-L349 HydrophobicContact CZ-CD2 4.24Å; A296-L349 HydrophobicContact CB-CD1 3.94Å; V335-L349 HydrophobicContact CG1-CD1 4.47Å; L338-L349 HydrophobicContact CD2-CD2 3.7Å; L338-L349 HydrophobicContact CG-CD2 3.96Å; I339-L349 HydrophobicContact CD1-CG 4.27Å; I339-L349 HydrophobicContact CG1-CB 4.36Å; I339-L349 HydrophobicContact CG1-CD2 3.83Å; I339-L349 HydrophobicContact CG1-CG 3.8Å; G346-L349 WeakPolarHBondContact O-CB 3.37Å; G346-L349 PolarHBondContact O-N 2.8Å; G346-L349 VanDerWaalsContact O-N 3.14Å; E347-L349 VanDerWaalsContact C-N 3.32Å; E347-L349 PolarHBondContact O-N 3Å; L349-R351 VanDerWaalsContact C-N 3.33Å; L349-R351 PolarHBondContact O-N 3.49Å; L349-Q352 CarbonylContact O-C 3.57Å; L349-Q352 PolarHBondContact O-N 3.25Å; L349-Q353 PolarHBondContact O-N 3.34Å; L349-V356 HydrophobicContact CD1-CB 4.36Å; L349-V356 HydrophobicContact CD1-CG1 4.3Å; L349-V356 HydrophobicContact CD1-CG2 3.75Å |
| 350 | K | 94.2 | Very high | 91.6 | Very high | 105 Ų | 105 | 53.7 Ų | 53.7 | 46% | 0.457 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.4 | -40.9 | 177.6 | -171.9 | 178.2 | -179.5 | 178.9 | 0 | 112.4 | I339 G346 E347 Q352 Q353 | I339-K350 HydrophobicContact CD1-CB 4.3Å; I339-K350 HydrophobicContact CG1-CB 4.49Å; I339-K350 HydrophobicContact CG2-CB 3.87Å; I339-K350 HydrophobicContact CG2-CD 4.11Å; I339-K350 HydrophobicContact CG2-CG 4.06Å; G346-K350 WeakPolarHBondContact O-CB 3.4Å; G346-K350 PolarHBondContact O-N 2.95Å; E347-K350 WeakPolarHBondContact O-CB 3.45Å; E347-K350 PolarHBondContact O-N 2.74Å; E347-K350 IonicContact OE1-NZ 2.57Å; K350-Q352 PolarHBondContact O-N 2.78Å; K350-Q353 WeakPolarHBondContact O-CB 3.43Å; K350-Q353 PolarHBondContact O-N 3.39Å |
| 351 | R | 90.2 | Very high | 91.7 | Very high | 173 Ų | 173 | 50.5 Ų | 50.5 | 65% | 0.653 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.1 | -24.9 | 175 | -69.2 | -164.9 | -61.9 | -96.6 | 6.4 | 113.2 | E347 D348 L349 | E347-R351 PolarHBondContact O-N 3.02Å; E347-R351 VanDerWaalsContact O-N 3.1Å; D348-R351 IonicContact OD1-CZ 3.5Å; D348-R351 VanDerWaalsContact OD1-CZ 3.27Å; D348-R351 IonicContact OD1-NH1 2.76Å; D348-R351 PolarHBondContact OD1-NH1 2.89Å; D348-R351 IonicContact OD1-NH2 3.49Å; D348-R351 PolarHBondContact OD1-NH2 3.44Å; L349-R351 VanDerWaalsContact C-N 3.33Å; L349-R351 PolarHBondContact O-N 3.49Å |
| 352 | Q | 90.2 | Very high | 91.6 | Very high | 35 Ų | 35 | 51.4 Ų | 51.4 | 16% | 0.164 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 8.4 | -177.9 | -63.4 | -173.8 | 67.5 | 0 | 0 | 113.5 | A296 L349 K350 A354 Q355 V356 | A296-Q352 PolarHBondContact O-NE2 3.34Å; A296-Q352 PolarHBondContact O-OE1 3.35Å; A296-Q352 VanDerWaalsContact O-OE1 3.09Å; L349-Q352 CarbonylContact O-C 3.57Å; L349-Q352 PolarHBondContact O-N 3.25Å; K350-Q352 PolarHBondContact O-N 2.78Å; Q352-A354 PolarHBondContact O-N 2.94Å; Q352-Q355 WeakPolarHBondContact O-CB 3.27Å; Q352-Q355 PolarHBondContact O-N 2.86Å; Q352-V356 HydrophobicContact CB-CG2 4.31Å; Q352-V356 WeakPolarHBondContact O-CG2 3.41Å; Q352-V356 PolarHBondContact O-N 2.95Å |
| 353 | Q | 95.3 | Very high | 91.6 | Very high | 62 Ų | 62 | 51.6 Ų | 51.6 | 29% | 0.29 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -50.3 | -51.5 | -170 | 177.8 | 176.8 | -1.5 | 0 | 0 | 113.1 | V335 I339 L349 K350 Q355 V356 E357 | V335-Q353 HydrophobicContact CG1-CG 3.97Å; I339-Q353 HydrophobicContact CD1-CB 3.89Å; I339-Q353 HydrophobicContact CD1-CG 3.81Å; L349-Q353 PolarHBondContact O-N 3.34Å; K350-Q353 WeakPolarHBondContact O-CB 3.43Å; K350-Q353 PolarHBondContact O-N 3.39Å; Q353-Q355 VanDerWaalsContact C-N 3.29Å; Q353-Q355 PolarHBondContact O-N 3.22Å; Q353-V356 PolarHBondContact O-N 2.83Å; Q353-E357 HydrophobicContact CG-CG 4.25Å; Q353-E357 WeakPolarHBondContact CG-OE1 3.4Å; Q353-E357 PolarHBondContact NE2-OE1 3.07Å; Q353-E357 WeakPolarHBondContact O-CB 3.37Å; Q353-E357 WeakPolarHBondContact O-CG 3.47Å; Q353-E357 PolarHBondContact O-N 3.26Å |
| 354 | A | 92.3 | Very high | 91.8 | Very high | 76 Ų | 76 | 50.2 Ų | 50.2 | 63% | 0.628 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -60.7 | -37.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q352 Q358 | Q352-A354 PolarHBondContact O-N 2.94Å; A354-Q358 WeakPolarHBondContact O-CB 3.33Å; A354-Q358 PolarHBondContact O-N 3.04Å; A354-Q358 VanDerWaalsContact O-N 3.09Å |
| 355 | Q | 88.9 | Confident | 92.1 | Very high | 62 Ų | 62 | 49.7 Ų | 49.7 | 29% | 0.29 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.7 | -46.7 | 176.3 | -178.8 | 179.3 | 4.6 | 0 | 0 | 110.7 | Q352 Q353 E357 Q358 V359 | Q352-Q355 WeakPolarHBondContact O-CB 3.27Å; Q352-Q355 PolarHBondContact O-N 2.86Å; Q353-Q355 VanDerWaalsContact C-N 3.29Å; Q353-Q355 PolarHBondContact O-N 3.22Å; Q355-E357 PolarHBondContact O-N 3.18Å; Q355-Q358 PolarHBondContact O-N 3.03Å; Q355-V359 VanDerWaalsContact O-CG2 3.32Å; Q355-V359 WeakPolarHBondContact O-CG2 3.29Å; Q355-V359 PolarHBondContact O-N 2.82Å |
| 356 | V | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.4 | -47.6 | 178.3 | 179 | 0 | 0 | 0 | 0 | 110.9 | A292 I295 A296 V335 L349 Q352 Q353 Q358 V359 L360 | A292-V356 HydrophobicContact CB-CG1 3.94Å; I295-V356 HydrophobicContact CB-CG1 4.32Å; I295-V356 HydrophobicContact CB-CG2 4.22Å; I295-V356 HydrophobicContact CD1-CG1 4.31Å; I295-V356 HydrophobicContact CG2-CB 4.35Å; I295-V356 HydrophobicContact CG2-CG1 4.48Å; I295-V356 HydrophobicContact CG2-CG2 3.98Å; A296-V356 HydrophobicContact CB-CG2 4.25Å; V335-V356 HydrophobicContact CG1-CB 4.48Å; V335-V356 HydrophobicContact CG1-CG1 4.28Å; V335-V356 HydrophobicContact CG2-CG1 3.91Å; L349-V356 HydrophobicContact CD1-CB 4.36Å; L349-V356 HydrophobicContact CD1-CG1 4.3Å; L349-V356 HydrophobicContact CD1-CG2 3.75Å; Q352-V356 HydrophobicContact CB-CG2 4.31Å; Q352-V356 WeakPolarHBondContact O-CG2 3.41Å; Q352-V356 PolarHBondContact O-N 2.95Å; Q353-V356 PolarHBondContact O-N 2.83Å; V356-Q358 VanDerWaalsContact C-N 3.34Å; V356-Q358 PolarHBondContact O-N 3.41Å; V356-V359 PolarHBondContact O-N 2.91Å; V356-L360 HydrophobicContact CG1-CD1 4Å; V356-L360 HydrophobicContact CG1-CG 4.36Å; V356-L360 WeakPolarHBondContact O-CG 3.26Å; V356-L360 PolarHBondContact O-N 3.24Å |
| 357 | E | 97.8 | Very high | 92.1 | Very high | 51 Ų | 51 | 52.1 Ų | 52.1 | 24% | 0.238 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.5 | -45.1 | 177.6 | -74.4 | -179.9 | -179.8 | 0 | 0 | 111.8 | Y332 V335 Q353 Q355 V359 L360 K361 | Y332-E357 WeakPolarHBondContact CB-O 3.31Å; Y332-E357 HydrophobicContact CD2-CB 4.19Å; Y332-E357 HydrophobicContact CD2-CG 4.43Å; V335-E357 HydrophobicContact CB-CG 3.79Å; V335-E357 HydrophobicContact CG1-CG 4.18Å; V335-E357 HydrophobicContact CG2-CG 3.88Å; Q353-E357 HydrophobicContact CG-CG 4.25Å; Q353-E357 WeakPolarHBondContact CG-OE1 3.4Å; Q353-E357 PolarHBondContact NE2-OE1 3.07Å; Q353-E357 WeakPolarHBondContact O-CB 3.37Å; Q353-E357 WeakPolarHBondContact O-CG 3.47Å; Q353-E357 PolarHBondContact O-N 3.26Å; Q355-E357 PolarHBondContact O-N 3.18Å; E357-V359 PolarHBondContact O-N 3.18Å; E357-L360 PolarHBondContact O-N 3.34Å; E357-K361 VanDerWaalsContact O-CB 3.23Å; E357-K361 WeakPolarHBondContact O-CB 3.36Å; E357-K361 PolarHBondContact O-N 3.49Å |
| 358 | Q | 93.1 | Very high | 91.9 | Very high | 99 Ų | 99 | 50.4 Ų | 50.4 | 46% | 0.463 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 179.8 | -175.7 | 57.1 | 39.6 | 0 | 0 | 112.4 | A354 Q355 V356 T362 | A354-Q358 WeakPolarHBondContact O-CB 3.33Å; A354-Q358 PolarHBondContact O-N 3.04Å; A354-Q358 VanDerWaalsContact O-N 3.09Å; Q355-Q358 PolarHBondContact O-N 3.03Å; V356-Q358 VanDerWaalsContact C-N 3.34Å; V356-Q358 PolarHBondContact O-N 3.41Å; Q358-T362 PolarHBondContact NE2-OG1 3.34Å; Q358-T362 VanDerWaalsContact NE2-OG1 3.15Å; Q358-T362 WeakPolarHBondContact O-CB 3.5Å; Q358-T362 PolarHBondContact O-N 2.97Å; Q358-T362 PolarHBondContact O-OG1 3.21Å |
| 359 | V | 92 | Very high | 91.5 | Very high | 8 Ų | 8 | 54.4 Ų | 54.4 | 5% | 0.048 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.5 | -47.9 | 178.5 | 172.9 | 0 | 0 | 0 | 0 | 111 | I295 M300 P301 Q355 V356 E357 K361 T362 E363 | I295-V359 HydrophobicContact CD1-CB 4.14Å; I295-V359 HydrophobicContact CD1-CG1 3.7Å; I295-V359 HydrophobicContact CG1-CG1 4.07Å; I295-V359 HydrophobicContact CG2-CB 4.05Å; I295-V359 HydrophobicContact CG2-CG1 4.15Å; I295-V359 HydrophobicContact CG2-CG2 4.12Å; M300-V359 HydrophobicContact CE-CB 4.35Å; M300-V359 HydrophobicContact CE-CG1 3.94Å; M300-V359 HydrophobicContact CE-CG2 3.4Å; M300-V359 VanDerWaalsContact CE-CG2 3.4Å; M300-V359 HydrophobicContact SD-CG1 4.33Å; M300-V359 HydrophobicContact SD-CG2 3.97Å; P301-V359 HydrophobicContact CG-CG1 3.94Å; Q355-V359 VanDerWaalsContact O-CG2 3.32Å; Q355-V359 WeakPolarHBondContact O-CG2 3.29Å; Q355-V359 PolarHBondContact O-N 2.82Å; V356-V359 PolarHBondContact O-N 2.91Å; E357-V359 PolarHBondContact O-N 3.18Å; V359-K361 PolarHBondContact O-N 3.18Å; V359-T362 PolarHBondContact O-N 3.33Å; V359-E363 PolarHBondContact O-N 3.11Å |
| 360 | L | 97.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 177.8 | -70.2 | 179.2 | 0 | 0 | 0 | 111.6 | I288 C291 I295 I314 F331 V335 V356 E357 T362 E363 E364 | I288-L360 HydrophobicContact CD1-CD1 3.68Å; C291-L360 HydrophobicContact CB-CD2 3.94Å; I295-L360 HydrophobicContact CD1-CD2 3.46Å; I295-L360 VanDerWaalsContact CD1-CD2 3.46Å; I295-L360 HydrophobicContact CD1-CG 3.73Å; I314-L360 HydrophobicContact CD1-CD2 3.83Å; I314-L360 HydrophobicContact CG1-CD2 3.92Å; F331-L360 HydrophobicContact CD1-CB 4.49Å; F331-L360 HydrophobicContact CD1-CD1 4.34Å; F331-L360 HydrophobicContact CD1-CD2 3.87Å; F331-L360 HydrophobicContact CD1-CG 4.47Å; F331-L360 HydrophobicContact CE1-CD1 4.43Å; F331-L360 HydrophobicContact CE1-CD2 3.71Å; V335-L360 HydrophobicContact CG2-CD1 3.61Å; V356-L360 HydrophobicContact CG1-CD1 4Å; V356-L360 HydrophobicContact CG1-CG 4.36Å; V356-L360 WeakPolarHBondContact O-CG 3.26Å; V356-L360 PolarHBondContact O-N 3.24Å; E357-L360 PolarHBondContact O-N 3.34Å; L360-T362 VanDerWaalsContact C-N 3.34Å; L360-T362 PolarHBondContact O-N 3.08Å; L360-E363 PolarHBondContact O-N 2.87Å; L360-E364 WeakPolarHBondContact O-CB 3.46Å; L360-E364 PolarHBondContact O-N 2.91Å |
| 361 | K | 96.3 | Very high | 90.4 | Very high | 63 Ų | 63 | 51 Ų | 51 | 27% | 0.274 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 177.8 | -175.2 | 179.6 | 176.7 | -174.2 | 0 | 111.4 | Y332 E357 V359 E364 E365 | Y332-K361 HydrophobicContact CD1-CB 3.89Å; Y332-K361 HydrophobicContact CD1-CD 4.39Å; Y332-K361 HydrophobicContact CD1-CG 4Å; Y332-K361 HydrophobicContact CE1-CB 4.49Å; Y332-K361 HydrophobicContact CE1-CD 4.18Å; Y332-K361 HydrophobicContact CE1-CG 4.14Å; Y332-K361 HydrophobicContact CG-CB 3.91Å; Y332-K361 HydrophobicContact CG-CG 4.43Å; E357-K361 VanDerWaalsContact O-CB 3.23Å; E357-K361 WeakPolarHBondContact O-CB 3.36Å; E357-K361 PolarHBondContact O-N 3.49Å; V359-K361 PolarHBondContact O-N 3.18Å; K361-E364 PolarHBondContact O-N 2.88Å; K361-E365 WeakPolarHBondContact CE-OE1 2.95Å; K361-E365 VanDerWaalsContact O-CG 3.3Å; K361-E365 WeakPolarHBondContact O-CG 3.28Å; K361-E365 PolarHBondContact O-N 2.84Å |
| 362 | T | 91.9 | Very high | 90 | Very high | 46 Ų | 46 | 50.1 Ų | 50.1 | 28% | 0.282 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | -178.9 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | Q358 V359 L360 E365 Q366 | Q358-T362 PolarHBondContact NE2-OG1 3.34Å; Q358-T362 VanDerWaalsContact NE2-OG1 3.15Å; Q358-T362 WeakPolarHBondContact O-CB 3.5Å; Q358-T362 PolarHBondContact O-N 2.97Å; Q358-T362 PolarHBondContact O-OG1 3.21Å; V359-T362 PolarHBondContact O-N 3.33Å; L360-T362 VanDerWaalsContact C-N 3.34Å; L360-T362 PolarHBondContact O-N 3.08Å; T362-E365 PolarHBondContact O-N 2.57Å; T362-Q366 VanDerWaalsContact O-CG 3.29Å; T362-Q366 WeakPolarHBondContact O-CG 3.25Å; T362-Q366 PolarHBondContact O-N 2.71Å |
| 363 | E | 92.6 | Very high | 89.7 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 2% | 0.023 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.7 | -37.8 | 177.6 | -179.4 | 66 | -141.9 | 0 | 0 | 111.6 | P301 R311 I314 R315 V359 L360 Q366 F367 | P301-E363 HydrophobicContact CB-CB 4.48Å; P301-E363 HydrophobicContact CB-CG 4.16Å; P301-E363 WeakPolarHBondContact CB-OE2 3.36Å; P301-E363 HydrophobicContact CG-CB 4.25Å; P301-E363 HydrophobicContact CG-CG 4.31Å; R311-E363 IonicContact CZ-OE2 2.69Å; R311-E363 IonicContact NE-OE1 3.11Å; R311-E363 PolarHBondContact NE-OE1 3.13Å; R311-E363 IonicContact NE-OE2 3.9Å; R311-E363 PolarHBondContact NE-OE2 2.67Å; R311-E363 VanDerWaalsContact NE-OE2 3.12Å; R311-E363 IonicContact NH2-OE2 2.88Å; R311-E363 PolarHBondContact NH2-OE2 3.31Å; I314-E363 HydrophobicContact CB-CG 4.37Å; I314-E363 HydrophobicContact CD1-CB 4.42Å; I314-E363 HydrophobicContact CD1-CG 4.15Å; I314-E363 HydrophobicContact CG2-CB 4.33Å; I314-E363 HydrophobicContact CG2-CG 3.85Å; R315-E363 IonicContact CZ-OE1 3.56Å; R315-E363 VanDerWaalsContact CZ-OE1 3.28Å; R315-E363 IonicContact NE-OE1 3.08Å; R315-E363 PolarHBondContact NE-OE1 3.06Å; R315-E363 IonicContact NH2-OE1 3.97Å; R315-E363 PolarHBondContact NH2-OE1 3.29Å; V359-E363 PolarHBondContact O-N 3.11Å; L360-E363 PolarHBondContact O-N 2.87Å; E363-Q366 PolarHBondContact O-N 2.72Å; E363-F367 VanDerWaalsContact O-CB 3.32Å; E363-F367 WeakPolarHBondContact O-CB 3.35Å; E363-F367 PolarHBondContact O-N 3.05Å |
| 364 | E | 94.1 | Very high | 89.2 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.028 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 175.1 | -173.2 | 173.6 | -166.7 | 0 | 0 | 111.8 | V318 T329 F330 F331 L360 K361 Q366 F367 A368 | V318-E364 HydrophobicContact CG1-CG 4Å; V318-E364 HydrophobicContact CG2-CB 4.12Å; V318-E364 HydrophobicContact CG2-CG 3.67Å; T329-E364 VanDerWaalsContact CA-CD 3.5Å; T329-E364 WeakPolarHBondContact CA-OE1 3.32Å; T329-E364 WeakPolarHBondContact CB-OE2 3.37Å; T329-E364 HydrophobicContact CG2-CB 4.32Å; T329-E364 HydrophobicContact CG2-CG 3.93Å; F330-E364 WeakPolarHBondContact CD1-OE1 3.23Å; F330-E364 WeakPolarHBondContact CE1-OE1 3.44Å; F330-E364 PolarHBondContact N-OE1 2.96Å; F330-E364 PolarHBondContact N-OE2 2.87Å; F330-E364 VanDerWaalsContact N-OE2 3.16Å; F331-E364 PolarHBondContact N-OE1 2.89Å; F331-E364 PolarHBondContact N-OE2 3.06Å; L360-E364 WeakPolarHBondContact O-CB 3.46Å; L360-E364 PolarHBondContact O-N 2.91Å; K361-E364 PolarHBondContact O-N 2.88Å; E364-Q366 VanDerWaalsContact C-N 3.34Å; E364-Q366 PolarHBondContact O-N 2.89Å; E364-F367 PolarHBondContact O-N 2.91Å; E364-A368 PolarHBondContact O-N 2.93Å |
| 365 | E | 91.2 | Very high | 88.9 | Confident | 79 Ų | 79 | 52.6 Ų | 52.6 | 37% | 0.369 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.2 | -37 | 176.3 | -71.5 | 174.4 | 174.5 | 0 | 0 | 112.8 | T329 K361 T362 R369 | T329-E365 HydrophobicContact CG2-CG 3.6Å; K361-E365 WeakPolarHBondContact CE-OE1 2.95Å; K361-E365 VanDerWaalsContact O-CG 3.3Å; K361-E365 WeakPolarHBondContact O-CG 3.28Å; K361-E365 PolarHBondContact O-N 2.84Å; T362-E365 PolarHBondContact O-N 2.57Å; E365-R369 PolarHBondContact O-NH1 3.26Å; E365-R369 VanDerWaalsContact O-NH1 3.13Å |
| 366 | Q | 85.9 | Confident | 88.9 | Confident | 80 Ų | 80 | 52 Ų | 52 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.8 | -44.3 | 174.8 | -73.5 | 179.6 | 13.6 | 0 | 0 | 111.4 | T362 E363 E364 | T362-Q366 VanDerWaalsContact O-CG 3.29Å; T362-Q366 WeakPolarHBondContact O-CG 3.25Å; T362-Q366 PolarHBondContact O-N 2.71Å; E363-Q366 PolarHBondContact O-N 2.72Å; E364-Q366 VanDerWaalsContact C-N 3.34Å; E364-Q366 PolarHBondContact O-N 2.89Å |
| 367 | F | 87.6 | Confident | 88.6 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.7 | -33.5 | -177.1 | -179.5 | -123.7 | 0 | 0 | 0 | 113.1 | R315 V318 E363 E364 R369 T370 L371 P405 L408 | R315-F367 HydrophobicContact CB-CD1 3.92Å; R315-F367 HydrophobicContact CB-CD2 4.21Å; R315-F367 HydrophobicContact CB-CE1 3.8Å; R315-F367 HydrophobicContact CB-CE2 4.11Å; R315-F367 HydrophobicContact CB-CG 4.13Å; R315-F367 HydrophobicContact CB-CZ 3.92Å; R315-F367 VanDerWaalsContact CD-CD2 3.47Å; R315-F367 HydrophobicContact CG-CB 4.05Å; R315-F367 HydrophobicContact CG-CD1 3.81Å; R315-F367 HydrophobicContact CG-CD2 3.66Å; R315-F367 HydrophobicContact CG-CE1 4.17Å; R315-F367 HydrophobicContact CG-CE2 4.05Å; R315-F367 HydrophobicContact CG-CG 3.55Å; R315-F367 HydrophobicContact CG-CZ 4.29Å; R315-F367 WeakPolarHBondContact O-CE1 3.38Å; V318-F367 HydrophobicContact CB-CD1 4.04Å; V318-F367 HydrophobicContact CB-CE1 4.34Å; V318-F367 HydrophobicContact CG1-CD1 3.84Å; V318-F367 HydrophobicContact CG1-CE1 4.27Å; E363-F367 VanDerWaalsContact O-CB 3.32Å; E363-F367 WeakPolarHBondContact O-CB 3.35Å; E363-F367 PolarHBondContact O-N 3.05Å; E364-F367 PolarHBondContact O-N 2.91Å; F367-R369 PolarHBondContact O-N 2.83Å; F367-R369 VanDerWaalsContact O-N 3.16Å; F367-T370 HydrophobicContact CD2-CG2 4.43Å; F367-T370 HydrophobicContact CE2-CG2 4.47Å; F367-T370 CarbonylContact O-C 3.58Å; F367-T370 WeakPolarHBondContact O-CA 3.25Å; F367-T370 WeakPolarHBondContact O-CB 3.32Å; F367-T370 PolarHBondContact O-N 2.86Å; F367-L371 HydrophobicContact CD1-CB 4.48Å; F367-L371 HydrophobicContact CE1-CB 4.06Å; F367-L371 HydrophobicContact CE1-CD1 3.98Å; F367-L371 HydrophobicContact CE1-CD2 4.26Å; F367-L371 HydrophobicContact CE1-CG 4.33Å; F367-L371 HydrophobicContact CE2-CB 4.27Å; F367-L371 HydrophobicContact CZ-CB 3.93Å; F367-L371 HydrophobicContact CZ-CD1 3.69Å; F367-L371 HydrophobicContact CZ-CG 4.3Å; F367-L371 PolarHBondContact O-N 2.91Å; F367-P405 HydrophobicContact CE2-CG 4.36Å; F367-L408 HydrophobicContact CE1-CD1 4.38Å; F367-L408 HydrophobicContact CE2-CD1 4.04Å; F367-L408 HydrophobicContact CZ-CD1 3.44Å; F367-L408 VanDerWaalsContact CZ-CD1 3.44Å; F367-L408 HydrophobicContact CZ-CD2 4.22Å |
| 368 | A | 85.4 | Confident | 88.3 | Confident | 46 Ų | 46 | 51.5 Ų | 51.5 | 38% | 0.38 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -51.7 | -40.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E364 T370 L371 | E364-A368 PolarHBondContact O-N 2.93Å; A368-T370 VanDerWaalsContact C-N 3.27Å; A368-T370 PolarHBondContact O-N 2.81Å; A368-L371 PolarHBondContact O-N 2.76Å |
| 369 | R | 79.4 | Confident | 88.2 | Confident | 146 Ų | 146 | 50 Ų | 50 | 55% | 0.551 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -68.9 | -21.3 | 176.5 | -64.4 | -172.2 | -67.9 | -89.8 | 5.9 | 114.5 | E365 F367 R373 | E365-R369 PolarHBondContact O-NH1 3.26Å; E365-R369 VanDerWaalsContact O-NH1 3.13Å; F367-R369 PolarHBondContact O-N 2.83Å; F367-R369 VanDerWaalsContact O-N 3.16Å; R369-R373 PolarHBondContact O-NE 3.18Å; R369-R373 PolarHBondContact O-NH2 3.3Å; R369-R373 VanDerWaalsContact O-NH2 3.11Å |
| 370 | T | 78.7 | Confident | 88.2 | Confident | 27 Ų | 27 | 54.6 Ų | 54.6 | 17% | 0.166 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -92.7 | -37.9 | 179.1 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | F367 A368 R373 G374 Y402 | F367-T370 HydrophobicContact CD2-CG2 4.43Å; F367-T370 HydrophobicContact CE2-CG2 4.47Å; F367-T370 CarbonylContact O-C 3.58Å; F367-T370 WeakPolarHBondContact O-CA 3.25Å; F367-T370 WeakPolarHBondContact O-CB 3.32Å; F367-T370 PolarHBondContact O-N 2.86Å; A368-T370 VanDerWaalsContact C-N 3.27Å; A368-T370 PolarHBondContact O-N 2.81Å; T370-R373 PolarHBondContact O-N 2.83Å; T370-G374 PolarHBondContact O-N 2.84Å; T370-Y402 WeakPolarHBondContact CG2-O 3.2Å |
| 371 | L | 83.1 | Confident | 87.9 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59 | -50 | -178.7 | -179.3 | 65.8 | 0 | 0 | 0 | 111.9 | R319 N322 F367 A368 R373 G374 L375 F404 L408 | R319-L371 HydrophobicContact CB-CD1 4.4Å; N322-L371 HydrophobicContact CB-CD2 4.19Å; N322-L371 WeakPolarHBondContact ND2-CD2 3.22Å; F367-L371 HydrophobicContact CD1-CB 4.48Å; F367-L371 HydrophobicContact CE1-CB 4.06Å; F367-L371 HydrophobicContact CE1-CD1 3.98Å; F367-L371 HydrophobicContact CE1-CD2 4.26Å; F367-L371 HydrophobicContact CE1-CG 4.33Å; F367-L371 HydrophobicContact CE2-CB 4.27Å; F367-L371 HydrophobicContact CZ-CB 3.93Å; F367-L371 HydrophobicContact CZ-CD1 3.69Å; F367-L371 HydrophobicContact CZ-CG 4.3Å; F367-L371 PolarHBondContact O-N 2.91Å; A368-L371 PolarHBondContact O-N 2.76Å; L371-R373 PolarHBondContact O-N 3.06Å; L371-G374 PolarHBondContact O-N 2.83Å; L371-L375 HydrophobicContact CD1-CD1 3.94Å; L371-L375 HydrophobicContact CD1-CG 4.1Å; L371-L375 HydrophobicContact CG-CD1 4.01Å; L371-L375 WeakPolarHBondContact O-CB 3.48Å; L371-L375 WeakPolarHBondContact O-CG 3.27Å; L371-L375 PolarHBondContact O-N 3.13Å; L371-F404 HydrophobicContact CD1-CE2 4.14Å; L371-L408 HydrophobicContact CD1-CD2 4.21Å |
| 372 | E | 82.3 | Confident | 87.6 | Confident | 154 Ų | 154 | 54 Ų | 54 | 72% | 0.72 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -59.2 | -46.4 | -179.6 | -70.5 | -179.2 | 174 | 0 | 0 | 112.3 | A376 | E372-A376 PolarHBondContact O-N 3.11Å |
| 373 | R | 83.7 | Confident | 87.5 | Confident | 166 Ų | 166 | 56 Ų | 56 | 63% | 0.626 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -68 | -41.3 | 178.8 | -78.2 | -176.5 | -79.1 | 168.7 | -2.8 | 112.1 | R369 T370 L371 A376 L377 | R369-R373 PolarHBondContact O-NE 3.18Å; R369-R373 PolarHBondContact O-NH2 3.3Å; R369-R373 VanDerWaalsContact O-NH2 3.11Å; T370-R373 PolarHBondContact O-N 2.83Å; L371-R373 PolarHBondContact O-N 3.06Å; R373-A376 PolarHBondContact O-N 2.76Å; R373-L377 WeakPolarHBondContact O-CG 3.07Å; R373-L377 PolarHBondContact O-N 2.93Å; R373-L377 VanDerWaalsContact O-N 3.13Å |
| 374 | G | 84.3 | Confident | 87.4 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.1 | -37 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T370 L371 L377 L378 F404 | T370-G374 PolarHBondContact O-N 2.84Å; L371-G374 PolarHBondContact O-N 2.83Å; G374-L377 PolarHBondContact O-N 3.38Å; G374-L378 WeakPolarHBondContact O-CB 3.48Å; G374-L378 PolarHBondContact O-N 3.5Å; G374-F404 VanDerWaalsContact CA-CD2 3.45Å |
| 375 | L | 86.3 | Confident | 87.1 | Confident | 58 Ų | 58 | 63.9 Ų | 63.9 | 30% | 0.304 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 173.1 | -74.7 | 172.8 | 0 | 0 | 0 | 111.8 | L371 L377 L378 D379 F404 V412 | L371-L375 HydrophobicContact CD1-CD1 3.94Å; L371-L375 HydrophobicContact CD1-CG 4.1Å; L371-L375 HydrophobicContact CG-CD1 4.01Å; L371-L375 WeakPolarHBondContact O-CB 3.48Å; L371-L375 WeakPolarHBondContact O-CG 3.27Å; L371-L375 PolarHBondContact O-N 3.13Å; L375-L377 PolarHBondContact O-N 3.47Å; L375-L378 PolarHBondContact O-N 3.34Å; L375-D379 WeakPolarHBondContact O-CB 3.41Å; L375-D379 PolarHBondContact O-N 2.85Å; L375-F404 HydrophobicContact CD2-CE2 4.39Å; L375-F404 HydrophobicContact CD2-CZ 3.99Å; L375-F404 HydrophobicContact CG-CE2 4.24Å; L375-F404 HydrophobicContact CG-CZ 4.33Å; L375-V412 HydrophobicContact CD2-CG2 3.97Å |
| 376 | A | 88.5 | Confident | 86.7 | Confident | 51 Ų | 51 | 66 Ų | 66 | 42% | 0.421 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E372 R373 D379 E380 | E372-A376 PolarHBondContact O-N 3.11Å; R373-A376 PolarHBondContact O-N 2.76Å; A376-D379 PolarHBondContact O-N 3.22Å; A376-E380 WeakPolarHBondContact O-CG 3.49Å; A376-E380 PolarHBondContact O-N 3.1Å |
| 377 | L | 88.8 | Confident | 86.8 | Confident | 39 Ų | 39 | 65 Ų | 65 | 20% | 0.204 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 176.9 | -70.8 | 169.1 | 0 | 0 | 0 | 112.2 | R373 G374 L375 D379 E380 E381 L398 Y402 | R373-L377 WeakPolarHBondContact O-CG 3.07Å; R373-L377 PolarHBondContact O-N 2.93Å; R373-L377 VanDerWaalsContact O-N 3.13Å; G374-L377 PolarHBondContact O-N 3.38Å; L375-L377 PolarHBondContact O-N 3.47Å; L377-D379 VanDerWaalsContact C-N 3.34Å; L377-E380 PolarHBondContact O-N 3.45Å; L377-E381 WeakPolarHBondContact O-CG 3.37Å; L377-E381 PolarHBondContact O-N 3.49Å; L377-L398 HydrophobicContact CB-CD2 3.8Å; L377-Y402 HydrophobicContact CD1-CD1 3.4Å; L377-Y402 HydrophobicContact CD1-CD2 3.86Å; L377-Y402 HydrophobicContact CD1-CE1 3.57Å; L377-Y402 HydrophobicContact CD1-CE2 4.01Å; L377-Y402 HydrophobicContact CD1-CG 3.53Å |
| 378 | L | 91 | Very high | 86.9 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 176 | 178.8 | 58.7 | 0 | 0 | 0 | 111.1 | G374 L375 E380 E381 L382 L390 L398 F404 T409 V412 | G374-L378 WeakPolarHBondContact O-CB 3.48Å; G374-L378 PolarHBondContact O-N 3.5Å; L375-L378 PolarHBondContact O-N 3.34Å; L378-E380 VanDerWaalsContact C-N 3.31Å; L378-E380 PolarHBondContact O-N 2.84Å; L378-E381 PolarHBondContact O-N 3.23Å; L378-L382 HydrophobicContact CD1-CD1 3.99Å; L378-L382 HydrophobicContact CD1-CD2 4.3Å; L378-L382 HydrophobicContact CD1-CG 3.85Å; L378-L382 HydrophobicContact CD2-CD1 4.48Å; L378-L382 HydrophobicContact CG-CD1 3.84Å; L378-L382 HydrophobicContact CG-CG 4.16Å; L378-L382 WeakPolarHBondContact O-CB 3.31Å; L378-L382 VanDerWaalsContact O-CG 3.24Å; L378-L382 WeakPolarHBondContact O-CG 3.38Å; L378-L382 PolarHBondContact O-N 3.3Å; L378-L390 HydrophobicContact CD1-CD2 3.94Å; L378-L398 HydrophobicContact CB-CD1 4.2Å; L378-L398 HydrophobicContact CD1-CD1 3.77Å; L378-F404 HydrophobicContact CD2-CE1 3.93Å; L378-F404 HydrophobicContact CD2-CZ 4.38Å; L378-T409 HydrophobicContact CD1-CG2 3.96Å; L378-T409 HydrophobicContact CD2-CG2 4.42Å; L378-V412 HydrophobicContact CD2-CB 3.63Å; L378-V412 HydrophobicContact CD2-CG1 3.69Å; L378-V412 HydrophobicContact CD2-CG2 3.83Å; L378-V412 HydrophobicContact CG-CG1 4.37Å |
| 379 | D | 91.4 | Very high | 87.4 | Confident | 67 Ų | 67 | 69.4 Ų | 69.4 | 36% | 0.358 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.7 | -39.7 | 175.2 | -80.8 | -30.1 | 0 | 0 | 0 | 112.5 | L375 A376 L377 A383 R416 | L375-D379 WeakPolarHBondContact O-CB 3.41Å; L375-D379 PolarHBondContact O-N 2.85Å; A376-D379 PolarHBondContact O-N 3.22Å; L377-D379 VanDerWaalsContact C-N 3.34Å; D379-A383 VanDerWaalsContact O-CB 3.3Å; D379-A383 WeakPolarHBondContact O-CB 3.38Å; D379-A383 PolarHBondContact O-N 3.46Å; D379-R416 IonicContact OD1-CZ 3.08Å; D379-R416 IonicContact OD1-NH1 3.6Å; D379-R416 PolarHBondContact OD1-NH1 3.42Å; D379-R416 IonicContact OD1-NH2 3.82Å; D379-R416 PolarHBondContact OD1-NH2 3.25Å |
| 380 | E | 91.8 | Very high | 88 | Confident | 105 Ų | 105 | 62.5 Ų | 62.5 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 174.4 | -75.3 | -179.6 | -166 | 0 | 0 | 112.8 | A376 L377 L378 K384 | A376-E380 WeakPolarHBondContact O-CG 3.49Å; A376-E380 PolarHBondContact O-N 3.1Å; L377-E380 PolarHBondContact O-N 3.45Å; L378-E380 VanDerWaalsContact C-N 3.31Å; L378-E380 PolarHBondContact O-N 2.84Å; E380-K384 WeakPolarHBondContact O-CD 3.25Å; E380-K384 WeakPolarHBondContact O-CE 3.47Å; E380-K384 VanDerWaalsContact O-CG 3.31Å; E380-K384 WeakPolarHBondContact O-CG 3.47Å; E380-K384 PolarHBondContact O-N 3.04Å |
| 381 | E | 91.1 | Very high | 88.7 | Confident | 34 Ų | 34 | 64.3 Ų | 64.3 | 16% | 0.159 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -73.2 | -41.2 | 177.8 | -66.3 | -54.6 | 148 | 0 | 0 | 111.9 | L377 L378 A383 K384 L385 T394 R397 | L377-E381 WeakPolarHBondContact O-CG 3.37Å; L377-E381 PolarHBondContact O-N 3.49Å; L378-E381 PolarHBondContact O-N 3.23Å; E381-A383 VanDerWaalsContact C-N 3.27Å; E381-A383 PolarHBondContact O-N 3.35Å; E381-K384 PolarHBondContact O-N 2.96Å; E381-K384 IonicContact OE1-NZ 3.18Å; E381-K384 PolarHBondContact OE1-NZ 2.79Å; E381-K384 VanDerWaalsContact OE1-NZ 3.08Å; E381-K384 IonicContact OE2-NZ 3.64Å; E381-L385 PolarHBondContact O-N 3.38Å; E381-T394 HydrophobicContact CB-CG2 3.96Å; E381-T394 HydrophobicContact CG-CG2 3.76Å; E381-R397 IonicContact OE1-CZ 2.62Å; E381-R397 IonicContact OE1-NH2 3.36Å; E381-R397 PolarHBondContact OE1-NH2 2.92Å; E381-R397 IonicContact OE2-NH2 3.47Å |
| 382 | L | 91.1 | Very high | 89.1 | Confident | 16 Ų | 16 | 64.1 Ų | 64.1 | 8% | 0.084 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64 | -32.5 | 174.9 | -67.5 | 177.8 | 0 | 0 | 0 | 112.2 | L378 K384 L385 L390 V412 I418 | L378-L382 HydrophobicContact CD1-CD1 3.99Å; L378-L382 HydrophobicContact CD1-CD2 4.3Å; L378-L382 HydrophobicContact CD1-CG 3.85Å; L378-L382 HydrophobicContact CD2-CD1 4.48Å; L378-L382 HydrophobicContact CG-CD1 3.84Å; L378-L382 HydrophobicContact CG-CG 4.16Å; L378-L382 WeakPolarHBondContact O-CB 3.31Å; L378-L382 VanDerWaalsContact O-CG 3.24Å; L378-L382 WeakPolarHBondContact O-CG 3.38Å; L378-L382 PolarHBondContact O-N 3.3Å; L382-K384 VanDerWaalsContact C-N 3.27Å; L382-K384 PolarHBondContact O-N 3.48Å; L382-L385 HydrophobicContact CD2-CD2 4.38Å; L382-L385 VanDerWaalsContact O-CB 3.32Å; L382-L385 WeakPolarHBondContact O-CB 3.4Å; L382-L385 PolarHBondContact O-N 2.88Å; L382-L390 HydrophobicContact CD2-CD1 4.2Å; L382-V412 HydrophobicContact CD1-CG1 3.85Å; L382-I418 HydrophobicContact CD2-CD1 3.81Å; L382-I418 HydrophobicContact CD2-CG2 4.22Å |
| 383 | A | 90.3 | Very high | 89.5 | Confident | 87 Ų | 87 | 63.9 Ų | 63.9 | 72% | 0.719 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68.4 | -24.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D379 E381 | D379-A383 VanDerWaalsContact O-CB 3.3Å; D379-A383 WeakPolarHBondContact O-CB 3.38Å; D379-A383 PolarHBondContact O-N 3.46Å; E381-A383 VanDerWaalsContact C-N 3.27Å; E381-A383 PolarHBondContact O-N 3.35Å |
| 384 | K | 89.7 | Confident | 89.9 | Confident | 131 Ų | 131 | 56.6 Ų | 56.6 | 57% | 0.57 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -90.1 | -7.5 | 176.8 | -63.7 | 166.4 | -158.3 | 161.5 | 0 | 112.6 | E380 E381 L382 S386 | E380-K384 WeakPolarHBondContact O-CD 3.25Å; E380-K384 WeakPolarHBondContact O-CE 3.47Å; E380-K384 VanDerWaalsContact O-CG 3.31Å; E380-K384 WeakPolarHBondContact O-CG 3.47Å; E380-K384 PolarHBondContact O-N 3.04Å; E381-K384 PolarHBondContact O-N 2.96Å; E381-K384 IonicContact OE1-NZ 3.18Å; E381-K384 PolarHBondContact OE1-NZ 2.79Å; E381-K384 VanDerWaalsContact OE1-NZ 3.08Å; E381-K384 IonicContact OE2-NZ 3.64Å; L382-K384 VanDerWaalsContact C-N 3.27Å; L382-K384 PolarHBondContact O-N 3.48Å; K384-S386 PolarHBondContact O-N 3.38Å |
| 385 | L | 88.7 | Confident | 90.1 | Very high | 46 Ų | 46 | 56.6 Ų | 56.6 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | trans | -67.9 | 122.6 | -170.6 | -164.6 | 70.8 | 0 | 0 | 0 | 111.9 | E381 L382 T389 L390 I418 | E381-L385 PolarHBondContact O-N 3.38Å; L382-L385 HydrophobicContact CD2-CD2 4.38Å; L382-L385 VanDerWaalsContact O-CB 3.32Å; L382-L385 WeakPolarHBondContact O-CB 3.4Å; L382-L385 PolarHBondContact O-N 2.88Å; L385-T389 WeakPolarHBondContact CD1-O 3.3Å; L385-L390 HydrophobicContact CD1-CD1 4.33Å; L385-I418 HydrophobicContact CD2-CD1 4.2Å; L385-I418 HydrophobicContact CD2-CG2 3.71Å | ||
| 386 | S | 82.1 | Confident | 90.1 | Very high | 124 Ų | 124 | 55.3 Ų | 55.3 | 87% | 0.867 | 32% | 0.324 | S | S | * | . | trans | -99.6 | 84.5 | 169.5 | 61.3 | 0 | 0 | 0 | 0 | 110 | K384 | K384-S386 PolarHBondContact O-N 3.38Š| ||
| 387 | G | 87.3 | Confident | 90 | Very high | 60 Ų | 60 | 57.3 Ų | 57.3 | 62% | 0.619 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 141.8 | -165.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 388 | D | 90.9 | Very high | 89.9 | Confident | 81 Ų | 81 | 55.4 Ų | 55.4 | 43% | 0.433 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -106.5 | 8.8 | 179.9 | 76.3 | -25.2 | 0 | 0 | 0 | 113.1 | I418 K419 | D388-I418 CarbonylContact O-C 3.6Å; D388-I418 WeakPolarHBondContact O-CA 3.3Å; D388-K419 PolarHBondContact O-N 3.02Å; D388-K419 IonicContact OD2-NZ 3.44Å; D388-K419 PolarHBondContact OD2-NZ 3.39Å |
| 389 | T | 94.1 | Very high | 89.5 | Confident | 57 Ų | 57 | 57.3 Ų | 57.3 | 35% | 0.35 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 120.3 | -172.5 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | L385 K419 D421 | L385-T389 WeakPolarHBondContact CD1-O 3.3Å; T389-K419 CarbonylContact C-O 3.49Å; T389-K419 WeakPolarHBondContact CA-O 3.49Å; T389-K419 HydrophobicContact CG2-CB 4.18Å; T389-D421 HydrophobicContact CG2-CB 4.15Å |
| 390 | L | 93.9 | Very high | 88.8 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 128.5 | 170.1 | -175.8 | 73.5 | 0 | 0 | 0 | 109.6 | L378 L382 L385 T394 T409 I418 K419 D421 | L378-L390 HydrophobicContact CD1-CD2 3.94Å; L382-L390 HydrophobicContact CD2-CD1 4.2Å; L385-L390 HydrophobicContact CD1-CD1 4.33Å; L390-T394 HydrophobicContact CD1-CG2 3.91Å; L390-T394 HydrophobicContact CG-CG2 4.5Å; L390-T409 HydrophobicContact CD2-CG2 3.25Å; L390-I418 HydrophobicContact CB-CG2 4.44Å; L390-K419 PolarHBondContact N-O 3.32Å; L390-D421 PolarHBondContact O-N 2.92Å |
| 391 | D | 93.1 | Very high | 88 | Confident | 65 Ų | 65 | 57.1 Ų | 57.1 | 35% | 0.348 | 32% | 0.324 | S | S | . | . | trans | -68.9 | 148.8 | -177.3 | 70.4 | 94.5 | 0 | 0 | 0 | 112.7 | E393 T394 A395 | D391-E393 VanDerWaalsContact C-N 3.27Å; D391-E393 PolarHBondContact O-N 3.39Å; D391-E393 WeakPolarHBondContact OD1-CB 3.33Å; D391-E393 PolarHBondContact OD1-N 3.43Å; D391-T394 VanDerWaalsContact CG-OG1 3.24Å; D391-T394 PolarHBondContact O-N 3.41Å; D391-T394 WeakPolarHBondContact OD1-CB 3.43Å; D391-T394 PolarHBondContact OD1-N 3.47Å; D391-T394 PolarHBondContact OD1-OG1 2.99Å; D391-T394 VanDerWaalsContact OD1-OG1 3.05Å; D391-T394 VanDerWaalsContact OD2-CB 3.3Å; D391-T394 WeakPolarHBondContact OD2-CB 3.13Å; D391-T394 PolarHBondContact OD2-OG1 3.27Å; D391-A395 PolarHBondContact O-N 3Å | ||
| 392 | G | 90.7 | Very high | 87.1 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.7 | -26.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | F396 D421 | G392-F396 VanDerWaalsContact O-CB 3.23Å; G392-F396 WeakPolarHBondContact O-CB 3.34Å; G392-F396 PolarHBondContact O-N 3.44Å; G392-D421 WeakPolarHBondContact CA-O 3.21Å |
| 393 | E | 90.1 | Very high | 86.2 | Confident | 150 Ų | 150 | 61 Ų | 61 | 70% | 0.701 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -72.1 | -39.4 | 178.5 | -170.8 | 176.3 | -175.6 | 0 | 0 | 111.3 | D391 F396 R397 | D391-E393 VanDerWaalsContact C-N 3.27Å; D391-E393 PolarHBondContact O-N 3.39Å; D391-E393 WeakPolarHBondContact OD1-CB 3.33Å; D391-E393 PolarHBondContact OD1-N 3.43Å; E393-F396 PolarHBondContact O-N 2.89Å; E393-R397 WeakPolarHBondContact O-CB 3.4Å; E393-R397 PolarHBondContact O-N 3.42Å |
| 394 | T | 91.6 | Very high | 85.6 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 8% | 0.08 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 172.6 | -64.8 | 0 | 0 | 0 | 0 | 111.2 | E381 L390 D391 F396 R397 L398 | E381-T394 HydrophobicContact CB-CG2 3.96Å; E381-T394 HydrophobicContact CG-CG2 3.76Å; L390-T394 HydrophobicContact CD1-CG2 3.91Å; L390-T394 HydrophobicContact CG-CG2 4.5Å; D391-T394 VanDerWaalsContact CG-OG1 3.24Å; D391-T394 PolarHBondContact O-N 3.41Å; D391-T394 WeakPolarHBondContact OD1-CB 3.43Å; D391-T394 PolarHBondContact OD1-N 3.47Å; D391-T394 PolarHBondContact OD1-OG1 2.99Å; D391-T394 VanDerWaalsContact OD1-OG1 3.05Å; D391-T394 VanDerWaalsContact OD2-CB 3.3Å; D391-T394 WeakPolarHBondContact OD2-CB 3.13Å; D391-T394 PolarHBondContact OD2-OG1 3.27Å; T394-F396 VanDerWaalsContact C-N 3.31Å; T394-F396 PolarHBondContact O-N 3.05Å; T394-R397 PolarHBondContact O-N 2.65Å; T394-L398 WeakPolarHBondContact O-CG 3.32Å; T394-L398 PolarHBondContact O-N 2.85Å |
| 395 | A | 90 | Very high | 84.9 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D391 L398 Y399 T409 V420 F425 | D391-A395 PolarHBondContact O-N 3Å; A395-L398 PolarHBondContact O-N 3.3Å; A395-Y399 WeakPolarHBondContact O-CB 3.41Å; A395-Y399 PolarHBondContact O-N 3.19Å; A395-Y399 VanDerWaalsContact O-N 3.09Å; A395-T409 HydrophobicContact CB-CG2 4.33Å; A395-V420 HydrophobicContact CB-CG1 4.18Å; A395-F425 HydrophobicContact CB-CD2 4.16Å |
| 396 | F | 86.8 | Confident | 84.5 | Confident | 31 Ų | 31 | 49.6 Ų | 49.6 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 175.4 | 178.5 | -98.7 | 0 | 0 | 0 | 112 | G392 E393 T394 Y399 D400 F425 A428 M429 Q432 | G392-F396 VanDerWaalsContact O-CB 3.23Å; G392-F396 WeakPolarHBondContact O-CB 3.34Å; G392-F396 PolarHBondContact O-N 3.44Å; E393-F396 PolarHBondContact O-N 2.89Å; T394-F396 VanDerWaalsContact C-N 3.31Å; T394-F396 PolarHBondContact O-N 3.05Å; F396-Y399 HydrophobicContact CD2-CD1 4.39Å; F396-Y399 HydrophobicContact CE2-CD1 4.48Å; F396-Y399 CarbonylContact O-C 3.52Å; F396-Y399 WeakPolarHBondContact O-CB 3.25Å; F396-Y399 PolarHBondContact O-N 3.39Å; F396-D400 HydrophobicContact CD1-CB 4.32Å; F396-D400 HydrophobicContact CE1-CB 3.86Å; F396-D400 HydrophobicContact CE2-CB 4.25Å; F396-D400 HydrophobicContact CZ-CB 3.82Å; F396-D400 VanDerWaalsContact O-CB 3.31Å; F396-D400 WeakPolarHBondContact O-CB 3.46Å; F396-D400 PolarHBondContact O-N 3.31Å; F396-F425 HydrophobicContact CB-CD2 3.93Å; F396-F425 HydrophobicContact CB-CE2 4.27Å; F396-F425 HydrophobicContact CD2-CE2 4.27Å; F396-A428 HydrophobicContact CB-CB 3.89Å; F396-A428 HydrophobicContact CD1-CB 3.98Å; F396-A428 HydrophobicContact CD2-CB 3.81Å; F396-A428 HydrophobicContact CE2-CB 4.37Å; F396-A428 HydrophobicContact CG-CB 3.6Å; F396-M429 HydrophobicContact CD2-CG 4.04Å; F396-M429 HydrophobicContact CD2-SD 3.98Å; F396-M429 HydrophobicContact CE2-CG 4.15Å; F396-M429 HydrophobicContact CE2-SD 3.7Å; F396-Q432 HydrophobicContact CE2-CB 4.38Å; F396-Q432 HydrophobicContact CZ-CB 4.06Å; F396-Q432 HydrophobicContact CZ-CG 4.4Å |
| 397 | R | 86.3 | Confident | 84.2 | Confident | 93 Ų | 93 | 44 Ų | 44 | 35% | 0.351 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.3 | -43.5 | 176.8 | -173.5 | -175.1 | 68.3 | -174 | 4.7 | 112 | E381 E393 T394 Y399 T401 Y402 | E381-R397 IonicContact OE1-CZ 2.62Å; E381-R397 IonicContact OE1-NH2 3.36Å; E381-R397 PolarHBondContact OE1-NH2 2.92Å; E381-R397 IonicContact OE2-NH2 3.47Å; E393-R397 WeakPolarHBondContact O-CB 3.4Å; E393-R397 PolarHBondContact O-N 3.42Å; T394-R397 PolarHBondContact O-N 2.65Å; R397-Y399 PolarHBondContact O-N 2.96Å; R397-T401 VanDerWaalsContact O-CB 3.26Å; R397-T401 WeakPolarHBondContact O-CB 3.35Å; R397-T401 PolarHBondContact O-N 3.32Å; R397-Y402 HydrophobicContact CG-CE2 4.19Å; R397-Y402 WeakPolarHBondContact O-CD2 3.18Å |
| 398 | L | 85.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.6 | -42.2 | 172.8 | -75.9 | 172.9 | 0 | 0 | 0 | 110.8 | L377 L378 T394 A395 Y402 G403 F404 T409 | L377-L398 HydrophobicContact CB-CD2 3.8Å; L378-L398 HydrophobicContact CB-CD1 4.2Å; L378-L398 HydrophobicContact CD1-CD1 3.77Å; T394-L398 WeakPolarHBondContact O-CG 3.32Å; T394-L398 PolarHBondContact O-N 2.85Å; A395-L398 PolarHBondContact O-N 3.3Å; L398-Y402 HydrophobicContact CD2-CD2 4.45Å; L398-Y402 CarbonylContact O-C 3.38Å; L398-Y402 WeakPolarHBondContact O-CB 3.35Å; L398-Y402 PolarHBondContact O-N 3.5Å; L398-G403 PolarHBondContact O-N 3.44Å; L398-F404 CarbonylContact C-O 3.53Å; L398-F404 HydrophobicContact CB-CB 4.23Å; L398-F404 HydrophobicContact CB-CD1 4.43Å; L398-F404 WeakPolarHBondContact O-CB 3.31Å; L398-F404 PolarHBondContact O-N 3.34Å; L398-T409 HydrophobicContact CD1-CG2 4.43Å |
| 399 | Y | 82 | Confident | 83.6 | Confident | 40 Ų | 40 | 37.3 Ų | 37.3 | 16% | 0.157 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.9 | -59.4 | 176.7 | 170.1 | -106.1 | 0 | 0 | 0 | 113.7 | Y308 A395 F396 R397 G403 F404 F425 M429 | Y308-Y399 AromaticContact CE2-CE2 3.71Å; Y308-Y399 HydrophobicContact CE2-CE2 3.71Å; Y308-Y399 AromaticContact CE2-CZ 3.79Å; Y308-Y399 WeakPolarHBondContact CE2-OH 3.44Å; A395-Y399 WeakPolarHBondContact O-CB 3.41Å; A395-Y399 PolarHBondContact O-N 3.19Å; A395-Y399 VanDerWaalsContact O-N 3.09Å; F396-Y399 HydrophobicContact CD2-CD1 4.39Å; F396-Y399 HydrophobicContact CE2-CD1 4.48Å; F396-Y399 CarbonylContact O-C 3.52Å; F396-Y399 WeakPolarHBondContact O-CB 3.25Å; F396-Y399 PolarHBondContact O-N 3.39Å; R397-Y399 PolarHBondContact O-N 2.96Å; Y399-G403 WeakPolarHBondContact O-CA 3.41Å; Y399-G403 PolarHBondContact O-N 2.98Å; Y399-F404 WeakPolarHBondContact CA-O 3.29Å; Y399-F404 PolarHBondContact N-O 3.41Å; Y399-F425 HydrophobicContact CD1-CE2 4.21Å; Y399-F425 HydrophobicContact CD1-CZ 4.25Å; Y399-F425 HydrophobicContact CG-CE2 4.24Å; Y399-F425 HydrophobicContact CG-CZ 4.36Å; Y399-M429 HydrophobicContact CD1-SD 3.92Å; Y399-M429 HydrophobicContact CE1-CE 4.15Å; Y399-M429 HydrophobicContact CE1-SD 3.49Å; Y399-M429 WeakPolarHBondContact CE1-SD 3.4Å |
| 400 | D | 77.6 | Confident | 83.1 | Confident | 79 Ų | 79 | 35.3 Ų | 35.3 | 42% | 0.422 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -72.1 | -45.9 | -170.3 | -175.2 | 60.6 | 0 | 0 | 0 | 112.5 | F396 Q432 | F396-D400 HydrophobicContact CD1-CB 4.32Å; F396-D400 HydrophobicContact CE1-CB 3.86Å; F396-D400 HydrophobicContact CE2-CB 4.25Å; F396-D400 HydrophobicContact CZ-CB 3.82Å; F396-D400 VanDerWaalsContact O-CB 3.31Å; F396-D400 WeakPolarHBondContact O-CB 3.46Å; F396-D400 PolarHBondContact O-N 3.31Å; D400-Q432 PolarHBondContact OD1-NE2 3.35Å |
| 401 | T | 74.2 | Confident | 82.5 | Confident | 89 Ų | 89 | 35.5 Ų | 35.5 | 55% | 0.546 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -39.4 | -175.8 | -55.8 | 0 | 0 | 0 | 0 | 112.4 | R397 | R397-T401 VanDerWaalsContact O-CB 3.26Å; R397-T401 WeakPolarHBondContact O-CB 3.35Å; R397-T401 PolarHBondContact O-N 3.32Å |
| 402 | Y | 73.5 | Confident | 82.1 | Confident | 107 Ų | 107 | 32.7 Ų | 32.7 | 42% | 0.42 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -5.4 | -171.6 | -55.2 | -78 | 0 | 0 | 0 | 113.6 | T370 L377 R397 L398 F404 | T370-Y402 WeakPolarHBondContact CG2-O 3.2Å; L377-Y402 HydrophobicContact CD1-CD1 3.4Å; L377-Y402 HydrophobicContact CD1-CD2 3.86Å; L377-Y402 HydrophobicContact CD1-CE1 3.57Å; L377-Y402 HydrophobicContact CD1-CE2 4.01Å; L377-Y402 HydrophobicContact CD1-CG 3.53Å; R397-Y402 HydrophobicContact CG-CE2 4.19Å; R397-Y402 WeakPolarHBondContact O-CD2 3.18Å; L398-Y402 HydrophobicContact CD2-CD2 4.45Å; L398-Y402 CarbonylContact O-C 3.38Å; L398-Y402 WeakPolarHBondContact O-CB 3.35Å; L398-Y402 PolarHBondContact O-N 3.5Å; Y402-F404 PolarHBondContact O-N 3.24Å |
| 403 | G | 71.2 | Confident | 82.1 | Confident | 26 Ų | 26 | 32.7 Ų | 32.7 | 27% | 0.268 | 17% | 0.165 | S | C | . | . | trans | 69.3 | 17.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R315 L398 Y399 P405 | R315-G403 PolarHBondContact NH1-O 2.98Å; L398-G403 PolarHBondContact O-N 3.44Å; Y399-G403 WeakPolarHBondContact O-CA 3.41Å; Y399-G403 PolarHBondContact O-N 2.98Å; G403-P405 VanDerWaalsContact O-CD 3.28Å; G403-P405 WeakPolarHBondContact O-CD 3.47Å | ||
| 404 | F | 79.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -85.7 | 112.3 | -179.6 | -168 | -103.2 | 0 | 0 | 0 | 110.3 | L371 G374 L375 L378 L398 Y399 Y402 L408 T409 | L371-F404 HydrophobicContact CD1-CE2 4.14Å; G374-F404 VanDerWaalsContact CA-CD2 3.45Å; L375-F404 HydrophobicContact CD2-CE2 4.39Å; L375-F404 HydrophobicContact CD2-CZ 3.99Å; L375-F404 HydrophobicContact CG-CE2 4.24Å; L375-F404 HydrophobicContact CG-CZ 4.33Å; L378-F404 HydrophobicContact CD2-CE1 3.93Å; L378-F404 HydrophobicContact CD2-CZ 4.38Å; L398-F404 CarbonylContact C-O 3.53Å; L398-F404 HydrophobicContact CB-CB 4.23Å; L398-F404 HydrophobicContact CB-CD1 4.43Å; L398-F404 WeakPolarHBondContact O-CB 3.31Å; L398-F404 PolarHBondContact O-N 3.34Å; Y399-F404 WeakPolarHBondContact CA-O 3.29Å; Y399-F404 PolarHBondContact N-O 3.41Å; Y402-F404 PolarHBondContact O-N 3.24Å; F404-L408 HydrophobicContact CD1-CB 4.34Å; F404-L408 HydrophobicContact CE1-CB 3.63Å; F404-L408 HydrophobicContact CE2-CB 4.28Å; F404-L408 HydrophobicContact CZ-CB 3.61Å; F404-T409 WeakPolarHBondContact CD1-OG1 3.47Å | ||
| 405 | P | 74.5 | Confident | 81.4 | Confident | 9 Ų | 9 | 34.6 Ų | 34.6 | 6% | 0.058 | 17% | 0.169 | C | C | . | . | trans | -62.2 | 145.5 | -172.3 | -18.4 | 24.1 | 0 | 0 | 0 | 114.4 | R315 F367 G403 D407 L408 T409 | R315-P405 HydrophobicContact CB-CG 4.1Å; F367-P405 HydrophobicContact CE2-CG 4.36Å; G403-P405 VanDerWaalsContact O-CD 3.28Å; G403-P405 WeakPolarHBondContact O-CD 3.47Å; P405-D407 VanDerWaalsContact C-N 3.31Å; P405-D407 PolarHBondContact O-N 2.94Å; P405-L408 HydrophobicContact CB-CD1 3.65Å; P405-L408 HydrophobicContact CB-CG 4.5Å; P405-L408 HydrophobicContact CG-CD1 3.32Å; P405-L408 WeakPolarHBondContact O-CB 3.42Å; P405-L408 PolarHBondContact O-N 2.99Å; P405-L408 VanDerWaalsContact O-N 3.09Å; P405-T409 PolarHBondContact O-N 3.2Å | ||
| 406 | V | 80.8 | Confident | 81.2 | Confident | 14 Ų | 14 | 40.3 Ų | 40.3 | 9% | 0.085 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.3 | -35.2 | -179.7 | 66.1 | 0 | 0 | 0 | 0 | 112.7 | L408 T409 A410 F425 | V406-L408 PolarHBondContact O-N 3.44Å; V406-T409 CarbonylContact O-C 3.57Å; V406-T409 WeakPolarHBondContact O-CA 3.44Å; V406-T409 VanDerWaalsContact O-CB 3.26Å; V406-T409 WeakPolarHBondContact O-CB 3.34Å; V406-T409 PolarHBondContact O-N 2.74Å; V406-A410 PolarHBondContact O-N 3.3Å; V406-F425 HydrophobicContact CB-CD2 4.42Å; V406-F425 HydrophobicContact CB-CE1 4.17Å; V406-F425 HydrophobicContact CB-CE2 3.9Å; V406-F425 HydrophobicContact CB-CZ 3.77Å; V406-F425 HydrophobicContact CG1-CE1 4.01Å; V406-F425 HydrophobicContact CG1-CZ 3.92Å; V406-F425 HydrophobicContact CG2-CD1 4.12Å; V406-F425 HydrophobicContact CG2-CD2 3.97Å; V406-F425 HydrophobicContact CG2-CE1 4.12Å; V406-F425 HydrophobicContact CG2-CE2 3.96Å; V406-F425 HydrophobicContact CG2-CG 4.05Å; V406-F425 HydrophobicContact CG2-CZ 4.06Å |
| 407 | D | 75.2 | Confident | 81.3 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61 | -36.6 | 175.9 | -48.7 | -92.3 | 0 | 0 | 0 | 112.1 | R312 P405 T409 A410 D411 | R312-D407 VanDerWaalsContact CD-OD2 3.28Å; R312-D407 WeakPolarHBondContact CD-OD2 3.45Å; R312-D407 WeakPolarHBondContact CG-OD2 3.35Å; R312-D407 IonicContact CZ-OD1 3.91Å; R312-D407 IonicContact CZ-OD2 3.75Å; R312-D407 IonicContact NE-OD1 2.73Å; R312-D407 PolarHBondContact NE-OD1 3.35Å; R312-D407 IonicContact NE-OD2 2.7Å; R312-D407 PolarHBondContact NE-OD2 3Å; R312-D407 IonicContact NH2-OD1 3.19Å; R312-D407 PolarHBondContact NH2-OD1 3.11Å; R312-D407 IonicContact NH2-OD2 2.79Å; P405-D407 VanDerWaalsContact C-N 3.31Å; P405-D407 PolarHBondContact O-N 2.94Å; D407-T409 VanDerWaalsContact C-N 3.29Å; D407-A410 PolarHBondContact O-N 2.82Å; D407-D411 WeakPolarHBondContact O-CB 3.4Å; D407-D411 PolarHBondContact O-N 3.36Å |
| 408 | L | 79.4 | Confident | 81.6 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.9 | -39.8 | 178.5 | -70.9 | 143.4 | 0 | 0 | 0 | 109.9 | R319 F367 L371 F404 P405 V406 A410 V412 | R319-L408 HydrophobicContact CB-CD2 3.08Å; R319-L408 HydrophobicContact CB-CG 4.47Å; R319-L408 HydrophobicContact CG-CD2 3.2Å; R319-L408 VanDerWaalsContact NH1-C 3.34Å; R319-L408 PolarHBondContact NH1-O 2.9Å; F367-L408 HydrophobicContact CE1-CD1 4.38Å; F367-L408 HydrophobicContact CE2-CD1 4.04Å; F367-L408 HydrophobicContact CZ-CD1 3.44Å; F367-L408 VanDerWaalsContact CZ-CD1 3.44Å; F367-L408 HydrophobicContact CZ-CD2 4.22Å; L371-L408 HydrophobicContact CD1-CD2 4.21Å; F404-L408 HydrophobicContact CD1-CB 4.34Å; F404-L408 HydrophobicContact CE1-CB 3.63Å; F404-L408 HydrophobicContact CE2-CB 4.28Å; F404-L408 HydrophobicContact CZ-CB 3.61Å; P405-L408 HydrophobicContact CB-CD1 3.65Å; P405-L408 HydrophobicContact CB-CG 4.5Å; P405-L408 HydrophobicContact CG-CD1 3.32Å; P405-L408 WeakPolarHBondContact O-CB 3.42Å; P405-L408 PolarHBondContact O-N 2.99Å; P405-L408 VanDerWaalsContact O-N 3.09Å; V406-L408 PolarHBondContact O-N 3.44Å; L408-A410 VanDerWaalsContact C-N 3.35Å; L408-V412 WeakPolarHBondContact O-CG2 3.48Å; L408-V412 PolarHBondContact O-N 2.71Å |
| 409 | T | 85.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.9 | -49.7 | 172.7 | -55 | 0 | 0 | 0 | 0 | 110.2 | L378 L390 A395 L398 F404 P405 V406 D407 V412 C413 V420 | L378-T409 HydrophobicContact CD1-CG2 3.96Å; L378-T409 HydrophobicContact CD2-CG2 4.42Å; L390-T409 HydrophobicContact CD2-CG2 3.25Å; A395-T409 HydrophobicContact CB-CG2 4.33Å; L398-T409 HydrophobicContact CD1-CG2 4.43Å; F404-T409 WeakPolarHBondContact CD1-OG1 3.47Å; P405-T409 PolarHBondContact O-N 3.2Å; V406-T409 CarbonylContact O-C 3.57Å; V406-T409 WeakPolarHBondContact O-CA 3.44Å; V406-T409 VanDerWaalsContact O-CB 3.26Å; V406-T409 WeakPolarHBondContact O-CB 3.34Å; V406-T409 PolarHBondContact O-N 2.74Å; D407-T409 VanDerWaalsContact C-N 3.29Å; T409-V412 PolarHBondContact O-N 3.45Å; T409-C413 WeakPolarHBondContact O-CB 3.41Å; T409-C413 PolarHBondContact O-N 3.03Å; T409-C413 PolarHBondContact O-SG 3.13Å; T409-V420 HydrophobicContact CG2-CG2 4.32Å |
| 410 | A | 84.9 | Confident | 82.3 | Confident | 15 Ų | 15 | 47.7 Ų | 47.7 | 12% | 0.124 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.1 | -46.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | V406 D407 L408 V412 C413 R414 V420 | V406-A410 PolarHBondContact O-N 3.3Å; D407-A410 PolarHBondContact O-N 2.82Å; L408-A410 VanDerWaalsContact C-N 3.35Å; A410-V412 PolarHBondContact O-N 2.98Å; A410-C413 PolarHBondContact O-N 2.86Å; A410-R414 VanDerWaalsContact O-CB 3.26Å; A410-R414 WeakPolarHBondContact O-CB 3.5Å; A410-R414 PolarHBondContact O-N 3.47Å; A410-V420 HydrophobicContact CB-CG2 4.38Å |
| 411 | D | 81 | Confident | 83 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.027 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 178.4 | -78.5 | -32.5 | 0 | 0 | 0 | 111 | R316 H320 D407 R414 E415 | R316-D411 IonicContact NE-OD2 2.87Å; R316-D411 PolarHBondContact NE-OD2 3.26Å; H320-D411 IonicContact NE2-OD2 3.4Å; D407-D411 WeakPolarHBondContact O-CB 3.4Å; D407-D411 PolarHBondContact O-N 3.36Å; D411-R414 PolarHBondContact O-N 3.08Å; D411-E415 WeakPolarHBondContact O-CG 3.24Å; D411-E415 PolarHBondContact O-N 3.3Å; D411-E415 VanDerWaalsContact O-N 3.1Å |
| 412 | V | 84.5 | Confident | 83.5 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.4 | -43.1 | 176.9 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | R319 L375 L378 L382 L408 T409 A410 E415 R416 | R319-V412 VanDerWaalsContact NH2-CA 3.29Å; L375-V412 HydrophobicContact CD2-CG2 3.97Å; L378-V412 HydrophobicContact CD2-CB 3.63Å; L378-V412 HydrophobicContact CD2-CG1 3.69Å; L378-V412 HydrophobicContact CD2-CG2 3.83Å; L378-V412 HydrophobicContact CG-CG1 4.37Å; L382-V412 HydrophobicContact CD1-CG1 3.85Å; L408-V412 WeakPolarHBondContact O-CG2 3.48Å; L408-V412 PolarHBondContact O-N 2.71Å; T409-V412 PolarHBondContact O-N 3.45Å; A410-V412 PolarHBondContact O-N 2.98Å; V412-E415 PolarHBondContact O-N 3.28Å; V412-R416 PolarHBondContact O-N 3.41Å |
| 413 | C | 89.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.6 | -45.2 | 179.5 | -67.6 | 0 | 0 | 0 | 0 | 110.4 | T409 A410 E415 R416 N417 I418 V420 | T409-C413 WeakPolarHBondContact O-CB 3.41Å; T409-C413 PolarHBondContact O-N 3.03Å; T409-C413 PolarHBondContact O-SG 3.13Å; A410-C413 PolarHBondContact O-N 2.86Å; C413-E415 PolarHBondContact O-N 3.49Å; C413-R416 CarbonylContact O-C 3.56Å; C413-R416 WeakPolarHBondContact O-CA 3.45Å; C413-R416 PolarHBondContact O-N 3.44Å; C413-N417 PolarHBondContact O-N 2.85Å; C413-N417 VanDerWaalsContact O-N 3.11Å; C413-I418 CarbonylContact C-O 3.55Å; C413-I418 HydrophobicContact CB-CB 3.9Å; C413-I418 HydrophobicContact CB-CG2 4Å; C413-I418 WeakPolarHBondContact CB-O 3.1Å; C413-I418 PolarHBondContact O-N 3.49Å; C413-I418 VanDerWaalsContact O-O 3.1Å; C413-V420 HydrophobicContact CB-CG2 3.73Å |
| 414 | R | 84.6 | Confident | 85.1 | Confident | 102 Ų | 102 | 45.5 Ų | 45.5 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.5 | -41.9 | 178.7 | -170 | 177.9 | -67.8 | 168.1 | -3.3 | 112.5 | E79 A410 D411 R416 N417 I418 | E79-R414 IonicContact OE2-NH2 2.79Å; A410-R414 VanDerWaalsContact O-CB 3.26Å; A410-R414 WeakPolarHBondContact O-CB 3.5Å; A410-R414 PolarHBondContact O-N 3.47Å; D411-R414 PolarHBondContact O-N 3.08Å; R414-R416 PolarHBondContact O-N 2.56Å; R414-N417 PolarHBondContact O-N 3.4Å; R414-N417 VanDerWaalsContact O-N 3.13Å; R414-I418 PolarHBondContact N-O 3.38Å |
| 415 | E | 82.6 | Confident | 85.5 | Confident | 102 Ų | 102 | 45.8 Ų | 45.8 | 48% | 0.477 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.7 | -25.4 | 174.1 | -72.5 | 166.6 | -144.5 | 0 | 0 | 113.1 | R319 M323 D411 V412 C413 | R319-E415 IonicContact CZ-OE1 3.2Å; R319-E415 IonicContact NE-OE1 2.95Å; R319-E415 IonicContact NH2-OE1 3.8Å; R319-E415 PolarHBondContact NH2-OE1 3.09Å; R319-E415 IonicContact NH2-OE2 3.74Å; M323-E415 WeakPolarHBondContact CE-OE1 3.43Å; D411-E415 WeakPolarHBondContact O-CG 3.24Å; D411-E415 PolarHBondContact O-N 3.3Å; D411-E415 VanDerWaalsContact O-N 3.1Å; V412-E415 PolarHBondContact O-N 3.28Å; C413-E415 PolarHBondContact O-N 3.49Å |
| 416 | R | 87.5 | Confident | 85.9 | Confident | 119 Ų | 119 | 49.4 Ų | 49.4 | 45% | 0.449 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 7.5 | 179.2 | -62.4 | -178.7 | -174.3 | -173 | 4.8 | 113.5 | D379 V412 C413 R414 I418 | D379-R416 IonicContact OD1-CZ 3.08Å; D379-R416 IonicContact OD1-NH1 3.6Å; D379-R416 PolarHBondContact OD1-NH1 3.42Å; D379-R416 IonicContact OD1-NH2 3.82Å; D379-R416 PolarHBondContact OD1-NH2 3.25Å; V412-R416 PolarHBondContact O-N 3.41Å; C413-R416 CarbonylContact O-C 3.56Å; C413-R416 WeakPolarHBondContact O-CA 3.45Å; C413-R416 PolarHBondContact O-N 3.44Å; R414-R416 PolarHBondContact O-N 2.56Å; R416-I418 HydrophobicContact CB-CD1 3.94Å; R416-I418 HydrophobicContact CB-CG1 4.1Å; R416-I418 PolarHBondContact O-N 2.9Å |
| 417 | N | 88.5 | Confident | 86.1 | Confident | 146 Ų | 146 | 51.5 Ų | 51.5 | 78% | 0.781 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 33.3 | -171.6 | -56 | -64 | 0 | 0 | 0 | 113.6 | C413 R414 | C413-N417 PolarHBondContact O-N 2.85Å; C413-N417 VanDerWaalsContact O-N 3.11Å; R414-N417 PolarHBondContact O-N 3.4Å; R414-N417 VanDerWaalsContact O-N 3.13Å |
| 418 | I | 92.6 | Very high | 86.7 | Confident | 30 Ų | 30 | 52.2 Ų | 52.2 | 15% | 0.154 | 28% | 0.277 | C | S | . | . | trans | -103.2 | 135.7 | 173.5 | -61.3 | 172.7 | 0 | 0 | 0 | 107.6 | L382 L385 D388 L390 C413 R414 R416 | L382-I418 HydrophobicContact CD2-CD1 3.81Å; L382-I418 HydrophobicContact CD2-CG2 4.22Å; L385-I418 HydrophobicContact CD2-CD1 4.2Å; L385-I418 HydrophobicContact CD2-CG2 3.71Å; D388-I418 CarbonylContact O-C 3.6Å; D388-I418 WeakPolarHBondContact O-CA 3.3Å; L390-I418 HydrophobicContact CB-CG2 4.44Å; C413-I418 CarbonylContact C-O 3.55Å; C413-I418 HydrophobicContact CB-CB 3.9Å; C413-I418 HydrophobicContact CB-CG2 4Å; C413-I418 WeakPolarHBondContact CB-O 3.1Å; C413-I418 PolarHBondContact O-N 3.49Å; C413-I418 VanDerWaalsContact O-O 3.1Å; R414-I418 PolarHBondContact N-O 3.38Å; R416-I418 HydrophobicContact CB-CD1 3.94Å; R416-I418 HydrophobicContact CB-CG1 4.1Å; R416-I418 PolarHBondContact O-N 2.9Å | ||
| 419 | K | 91.6 | Very high | 86.7 | Confident | 124 Ų | 124 | 52.6 Ų | 52.6 | 54% | 0.539 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 159 | 173.4 | -62.2 | 171.1 | -174.3 | 143.6 | 0 | 109.9 | D388 T389 L390 | D388-K419 PolarHBondContact O-N 3.02Å; D388-K419 IonicContact OD2-NZ 3.44Å; D388-K419 PolarHBondContact OD2-NZ 3.39Å; T389-K419 CarbonylContact C-O 3.49Å; T389-K419 WeakPolarHBondContact CA-O 3.49Å; T389-K419 HydrophobicContact CG2-CB 4.18Å; L390-K419 PolarHBondContact N-O 3.32Å |
| 420 | V | 90.6 | Very high | 86.2 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 12% | 0.121 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 134.2 | 169.7 | -180 | 0 | 0 | 0 | 0 | 107.6 | A395 T409 A410 C413 E422 | A395-V420 HydrophobicContact CB-CG1 4.18Å; T409-V420 HydrophobicContact CG2-CG2 4.32Å; A410-V420 HydrophobicContact CB-CG2 4.38Å; C413-V420 HydrophobicContact CB-CG2 3.73Å; V420-E422 VanDerWaalsContact C-N 3.27Å; V420-E422 PolarHBondContact O-N 3.45Å |
| 421 | D | 92.3 | Very high | 85.9 | Confident | 64 Ų | 64 | 60.8 Ų | 60.8 | 34% | 0.342 | 32% | 0.315 | S | S | . | . | trans | -74.4 | 82.1 | 171.7 | 174.7 | 23.7 | 0 | 0 | 0 | 110.4 | T389 L390 G392 A423 G424 F425 | T389-D421 HydrophobicContact CG2-CB 4.15Å; L390-D421 PolarHBondContact O-N 2.92Å; G392-D421 WeakPolarHBondContact CA-O 3.21Å; D421-A423 VanDerWaalsContact C-N 3.31Å; D421-A423 PolarHBondContact O-N 3.08Å; D421-G424 PolarHBondContact O-N 3.22Å; D421-G424 PolarHBondContact OD1-N 2.98Å; D421-G424 WeakPolarHBondContact OD2-CA 3.46Å; D421-F425 PolarHBondContact O-N 3.2Å; D421-F425 VanDerWaalsContact O-N 3.07Å | ||
| 422 | E | 85.1 | Confident | 85.4 | Confident | 92 Ų | 92 | 63.8 Ų | 63.8 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.1 | -35.6 | 179.6 | -69.8 | 175 | -172.4 | 0 | 0 | 112.5 | V420 F425 E426 | V420-E422 VanDerWaalsContact C-N 3.27Å; V420-E422 PolarHBondContact O-N 3.45Å; E422-F425 PolarHBondContact O-N 3.21Å; E422-E426 PolarHBondContact O-N 2.86Å |
| 423 | A | 87.9 | Confident | 84.5 | Confident | 76 Ų | 76 | 68.7 Ų | 68.7 | 63% | 0.628 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.9 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D421 E426 A427 | D421-A423 VanDerWaalsContact C-N 3.31Å; D421-A423 PolarHBondContact O-N 3.08Å; A423-E426 PolarHBondContact O-N 3.31Å; A423-A427 WeakPolarHBondContact O-CB 3.46Å; A423-A427 PolarHBondContact O-N 3.08Å |
| 424 | G | 89 | Confident | 83.3 | Confident | 23 Ų | 23 | 74.7 Ų | 74.7 | 24% | 0.237 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D421 A427 A428 | D421-G424 PolarHBondContact O-N 3.22Å; D421-G424 PolarHBondContact OD1-N 2.98Å; D421-G424 WeakPolarHBondContact OD2-CA 3.46Å; G424-A427 PolarHBondContact O-N 3.45Å; G424-A428 PolarHBondContact O-N 3.13Å; G424-A428 VanDerWaalsContact O-N 3.1Å |
| 425 | F | 87.1 | Confident | 82.2 | Confident | 5 Ų | 5 | 77.8 Ų | 77.8 | 2% | 0.022 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 175.3 | 172.5 | -93.1 | 0 | 0 | 0 | 111.9 | A395 F396 Y399 V406 D421 E422 A427 A428 M429 | A395-F425 HydrophobicContact CB-CD2 4.16Å; F396-F425 HydrophobicContact CB-CD2 3.93Å; F396-F425 HydrophobicContact CB-CE2 4.27Å; F396-F425 HydrophobicContact CD2-CE2 4.27Å; Y399-F425 HydrophobicContact CD1-CE2 4.21Å; Y399-F425 HydrophobicContact CD1-CZ 4.25Å; Y399-F425 HydrophobicContact CG-CE2 4.24Å; Y399-F425 HydrophobicContact CG-CZ 4.36Å; V406-F425 HydrophobicContact CB-CD2 4.42Å; V406-F425 HydrophobicContact CB-CE1 4.17Å; V406-F425 HydrophobicContact CB-CE2 3.9Å; V406-F425 HydrophobicContact CB-CZ 3.77Å; V406-F425 HydrophobicContact CG1-CE1 4.01Å; V406-F425 HydrophobicContact CG1-CZ 3.92Å; V406-F425 HydrophobicContact CG2-CD1 4.12Å; V406-F425 HydrophobicContact CG2-CD2 3.97Å; V406-F425 HydrophobicContact CG2-CE1 4.12Å; V406-F425 HydrophobicContact CG2-CE2 3.96Å; V406-F425 HydrophobicContact CG2-CG 4.05Å; V406-F425 HydrophobicContact CG2-CZ 4.06Å; D421-F425 PolarHBondContact O-N 3.2Å; D421-F425 VanDerWaalsContact O-N 3.07Å; E422-F425 PolarHBondContact O-N 3.21Å; F425-A427 VanDerWaalsContact C-N 3.33Å; F425-A427 PolarHBondContact O-N 2.83Å; F425-A428 PolarHBondContact O-N 3.47Å; F425-M429 HydrophobicContact CD1-CG 4.13Å; F425-M429 HydrophobicContact CE1-CG 3.61Å; F425-M429 HydrophobicContact CE1-SD 4.45Å; F425-M429 HydrophobicContact CE2-CG 4.26Å; F425-M429 HydrophobicContact CZ-CG 3.68Å; F425-M429 HydrophobicContact CZ-SD 4.02Å; F425-M429 WeakPolarHBondContact O-CG 3.48Å; F425-M429 PolarHBondContact O-N 3.49Å |
| 426 | E | 84 | Confident | 80.6 | Confident | 86 Ų | 86 | 75.7 Ų | 75.7 | 40% | 0.402 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.3 | -37.5 | 178.3 | -74.6 | -60.1 | 143.9 | 0 | 0 | 111.7 | E422 A423 A428 M429 E430 | E422-E426 PolarHBondContact O-N 2.86Å; A423-E426 PolarHBondContact O-N 3.31Å; E426-A428 VanDerWaalsContact C-N 3.34Å; E426-A428 PolarHBondContact O-N 3.32Å; E426-M429 WeakPolarHBondContact O-CB 3.29Å; E426-M429 PolarHBondContact O-N 3.45Å; E426-E430 WeakPolarHBondContact O-CB 3.26Å; E426-E430 WeakPolarHBondContact O-CG 3.39Å; E426-E430 PolarHBondContact O-N 2.91Å |
| 427 | A | 85.7 | Confident | 78.4 | Confident | 57 Ų | 57 | 78.7 Ų | 78.7 | 47% | 0.471 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A423 G424 F425 E430 E431 | A423-A427 WeakPolarHBondContact O-CB 3.46Å; A423-A427 PolarHBondContact O-N 3.08Å; G424-A427 PolarHBondContact O-N 3.45Å; F425-A427 VanDerWaalsContact C-N 3.33Å; F425-A427 PolarHBondContact O-N 2.83Å; A427-E430 PolarHBondContact O-N 2.78Å; A427-E431 WeakPolarHBondContact O-CB 3.37Å; A427-E431 PolarHBondContact O-N 2.93Å |
| 428 | A | 86 | Confident | 76.4 | Confident | 23 Ų | 23 | 78.7 Ų | 78.7 | 19% | 0.19 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.1 | -39 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | F396 G424 F425 E426 E431 Q432 | F396-A428 HydrophobicContact CB-CB 3.89Å; F396-A428 HydrophobicContact CD1-CB 3.98Å; F396-A428 HydrophobicContact CD2-CB 3.81Å; F396-A428 HydrophobicContact CE2-CB 4.37Å; F396-A428 HydrophobicContact CG-CB 3.6Å; G424-A428 PolarHBondContact O-N 3.13Å; G424-A428 VanDerWaalsContact O-N 3.1Å; F425-A428 PolarHBondContact O-N 3.47Å; E426-A428 VanDerWaalsContact C-N 3.34Å; E426-A428 PolarHBondContact O-N 3.32Å; A428-E431 PolarHBondContact O-N 3.07Å; A428-Q432 PolarHBondContact O-N 3.25Å |
| 429 | M | 79.5 | Confident | 73.8 | Confident | 9 Ų | 9 | 81.6 Ų | 81.6 | 4% | 0.044 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 173.1 | -77.7 | -69.2 | -64.6 | 0 | 0 | 112.3 | F396 Y399 F425 E426 Q432 R433 | F396-M429 HydrophobicContact CD2-CG 4.04Å; F396-M429 HydrophobicContact CD2-SD 3.98Å; F396-M429 HydrophobicContact CE2-CG 4.15Å; F396-M429 HydrophobicContact CE2-SD 3.7Å; Y399-M429 HydrophobicContact CD1-SD 3.92Å; Y399-M429 HydrophobicContact CE1-CE 4.15Å; Y399-M429 HydrophobicContact CE1-SD 3.49Å; Y399-M429 WeakPolarHBondContact CE1-SD 3.4Å; F425-M429 HydrophobicContact CD1-CG 4.13Å; F425-M429 HydrophobicContact CE1-CG 3.61Å; F425-M429 HydrophobicContact CE1-SD 4.45Å; F425-M429 HydrophobicContact CE2-CG 4.26Å; F425-M429 HydrophobicContact CZ-CG 3.68Å; F425-M429 HydrophobicContact CZ-SD 4.02Å; F425-M429 WeakPolarHBondContact O-CG 3.48Å; F425-M429 PolarHBondContact O-N 3.49Å; E426-M429 WeakPolarHBondContact O-CB 3.29Å; E426-M429 PolarHBondContact O-N 3.45Å; M429-Q432 PolarHBondContact O-N 3.02Å; M429-R433 WeakPolarHBondContact O-CB 3.2Å; M429-R433 VanDerWaalsContact O-CG 3.3Å; M429-R433 WeakPolarHBondContact O-CG 2.98Å; M429-R433 PolarHBondContact O-N 3.44Å |
| 430 | E | 76.6 | Confident | 70.9 | Confident | 129 Ų | 129 | 79.2 Ų | 79.2 | 60% | 0.603 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.7 | -40.5 | 176.3 | -78.1 | -167.7 | 159.5 | 0 | 0 | 112 | E426 A427 R433 R434 | E426-E430 WeakPolarHBondContact O-CB 3.26Å; E426-E430 WeakPolarHBondContact O-CG 3.39Å; E426-E430 PolarHBondContact O-N 2.91Å; A427-E430 PolarHBondContact O-N 2.78Å; E430-R433 PolarHBondContact O-N 3.44Å; E430-R434 WeakPolarHBondContact O-CB 3.49Å; E430-R434 PolarHBondContact O-N 3.39Å |
| 431 | E | 78.6 | Confident | 67.8 | Low | 57 Ų | 57 | 82 Ų | 82 | 27% | 0.266 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 173.9 | 178.2 | 62.8 | -155.2 | 0 | 0 | 111.6 | A427 A428 R434 R435 | A427-E431 WeakPolarHBondContact O-CB 3.37Å; A427-E431 PolarHBondContact O-N 2.93Å; A428-E431 PolarHBondContact O-N 3.07Å; E431-R434 PolarHBondContact O-N 3.35Å; E431-R434 IonicContact OE1-CZ 3.6Å; E431-R434 IonicContact OE1-NH2 2.78Å; E431-R434 PolarHBondContact OE1-NH2 3.46Å; E431-R434 IonicContact OE2-CZ 3.39Å; E431-R434 IonicContact OE2-NH1 2.85Å; E431-R434 PolarHBondContact OE2-NH1 3.31Å; E431-R434 IonicContact OE2-NH2 2.65Å; E431-R434 PolarHBondContact OE2-NH2 3.47Å; E431-R435 WeakPolarHBondContact O-CG 3.47Å; E431-R435 PolarHBondContact O-N 3.39Å; E431-R435 VanDerWaalsContact O-N 3.14Å; E431-R435 IonicContact OE1-CZ 3.96Å; E431-R435 IonicContact OE1-NE 3.73Å; E431-R435 PolarHBondContact OE1-NE 2.93Å; E431-R435 VanDerWaalsContact OE1-NE 3.08Å; E431-R435 IonicContact OE1-NH2 3.6Å; E431-R435 PolarHBondContact OE1-NH2 3Å |
| 432 | Q | 70.6 | Confident | 64.7 | Low | 69 Ų | 69 | 89.1 Ų | 89.1 | 32% | 0.322 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 173.6 | -174 | -170 | 34.8 | 0 | 0 | 111.6 | F396 D400 A428 M429 R434 R435 A436 | F396-Q432 HydrophobicContact CE2-CB 4.38Å; F396-Q432 HydrophobicContact CZ-CB 4.06Å; F396-Q432 HydrophobicContact CZ-CG 4.4Å; D400-Q432 PolarHBondContact OD1-NE2 3.35Å; A428-Q432 PolarHBondContact O-N 3.25Å; M429-Q432 PolarHBondContact O-N 3.02Å; Q432-R434 VanDerWaalsContact C-N 3.33Å; Q432-R434 PolarHBondContact O-N 2.94Å; Q432-R435 PolarHBondContact O-N 3.01Å; Q432-A436 PolarHBondContact O-N 2.86Å |
| 433 | R | 65 | Low | 62.1 | Low | 109 Ų | 109 | 88.6 Ų | 88.6 | 41% | 0.411 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 177.4 | -75.4 | 174.1 | -179.3 | 162.5 | 5.4 | 111.8 | M429 E430 A436 R437 | M429-R433 WeakPolarHBondContact O-CB 3.2Å; M429-R433 VanDerWaalsContact O-CG 3.3Å; M429-R433 WeakPolarHBondContact O-CG 2.98Å; M429-R433 PolarHBondContact O-N 3.44Å; E430-R433 PolarHBondContact O-N 3.44Å; R433-A436 PolarHBondContact O-N 2.93Å; R433-R437 WeakPolarHBondContact O-CB 3.47Å; R433-R437 WeakPolarHBondContact O-CG 3.45Å; R433-R437 PolarHBondContact O-N 3.24Å |
| 434 | R | 63.7 | Low | 59.4 | Low | 127 Ų | 127 | 89.4 Ų | 89.4 | 48% | 0.479 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 176 | -165.6 | -178.6 | 78.6 | -127.2 | -10.3 | 110.6 | E430 E431 Q432 A436 R437 E438 | E430-R434 WeakPolarHBondContact O-CB 3.49Å; E430-R434 PolarHBondContact O-N 3.39Å; E431-R434 PolarHBondContact O-N 3.35Å; E431-R434 IonicContact OE1-CZ 3.6Å; E431-R434 IonicContact OE1-NH2 2.78Å; E431-R434 PolarHBondContact OE1-NH2 3.46Å; E431-R434 IonicContact OE2-CZ 3.39Å; E431-R434 IonicContact OE2-NH1 2.85Å; E431-R434 PolarHBondContact OE2-NH1 3.31Å; E431-R434 IonicContact OE2-NH2 2.65Å; E431-R434 PolarHBondContact OE2-NH2 3.47Å; Q432-R434 VanDerWaalsContact C-N 3.33Å; Q432-R434 PolarHBondContact O-N 2.94Å; R434-A436 VanDerWaalsContact C-N 3.28Å; R434-A436 PolarHBondContact O-N 3.37Å; R434-R437 PolarHBondContact O-N 3.39Å; R434-E438 IonicContact NE-OE1 3.88Å; R434-E438 WeakPolarHBondContact O-CG 3.39Å; R434-E438 PolarHBondContact O-N 2.8Å |
| 435 | R | 62.4 | Low | 56.7 | Low | 166 Ų | 166 | 94.1 Ų | 94.1 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.4 | -36 | 173.8 | -67.5 | 174.6 | -168.8 | -176.7 | 4.2 | 112.7 | E431 Q432 | E431-R435 WeakPolarHBondContact O-CG 3.47Å; E431-R435 PolarHBondContact O-N 3.39Å; E431-R435 VanDerWaalsContact O-N 3.14Å; E431-R435 IonicContact OE1-CZ 3.96Å; E431-R435 IonicContact OE1-NE 3.73Å; E431-R435 PolarHBondContact OE1-NE 2.93Å; E431-R435 VanDerWaalsContact OE1-NE 3.08Å; E431-R435 IonicContact OE1-NH2 3.6Å; E431-R435 PolarHBondContact OE1-NH2 3Å; Q432-R435 PolarHBondContact O-N 3.01Å |
| 436 | A | 47.9 | Very low | 54.2 | Low | 58 Ų | 58 | 100.4 Ų | 100.4 | 48% | 0.479 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -75.2 | -35.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q432 R433 R434 A439 S440 | Q432-A436 PolarHBondContact O-N 2.86Å; R433-A436 PolarHBondContact O-N 2.93Å; R434-A436 VanDerWaalsContact C-N 3.28Å; R434-A436 PolarHBondContact O-N 3.37Å; A436-A439 WeakPolarHBondContact O-CB 3.16Å; A436-A439 PolarHBondContact O-N 2.88Å; A436-S440 PolarHBondContact O-OG 3.16Å |
| 437 | R | 42.3 | Very low | 52.1 | Low | 182 Ų | 182 | 101.1 Ų | 101.1 | 69% | 0.687 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -74.9 | -30.4 | 177.6 | -76.4 | -179.7 | -176.9 | 173.6 | 1.3 | 113.1 | R433 R434 A439 S440 | R433-R437 WeakPolarHBondContact O-CB 3.47Å; R433-R437 WeakPolarHBondContact O-CG 3.45Å; R433-R437 PolarHBondContact O-N 3.24Å; R434-R437 PolarHBondContact O-N 3.39Å; R437-A439 PolarHBondContact O-N 3.02Å; R437-S440 CarbonylContact O-C 3.54Å; R437-S440 PolarHBondContact O-N 3.48Å |
| 438 | E | 45.1 | Very low | 50.1 | Low | 147 Ų | 147 | 102 Ų | 102 | 69% | 0.687 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -14.1 | 168.7 | -76 | 173.1 | -169.6 | 0 | 0 | 112.4 | R434 | R434-E438 IonicContact NE-OE1 3.88Å; R434-E438 WeakPolarHBondContact O-CG 3.39Å; R434-E438 PolarHBondContact O-N 2.8Å |
| 439 | A | 38.1 | Very low | 48.7 | Very low | 90 Ų | 90 | 106.4 Ų | 106.4 | 74% | 0.744 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -4.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A436 R437 | A436-A439 WeakPolarHBondContact O-CB 3.16Å; A436-A439 PolarHBondContact O-N 2.88Å; R437-A439 PolarHBondContact O-N 3.02Å |
| 440 | S | 30.6 | Very low | 48 | Very low | 74 Ų | 74 | 106.7 Ų | 106.7 | 52% | 0.517 | 58% | 0.58 | S | S | . | * | trans | -147.5 | 111.8 | -177 | 54.1 | 0 | 0 | 0 | 0 | 113.3 | A436 R437 F442 | A436-S440 PolarHBondContact O-OG 3.16Å; R437-S440 CarbonylContact O-C 3.54Å; R437-S440 PolarHBondContact O-N 3.48Å; S440-F442 PolarHBondContact O-N 2.69Å | ||
| 441 | G | 26.3 | Very low | 47.5 | Very low | 80 Ų | 80 | 108 Ų | 108 | 83% | 0.825 | 58% | 0.58 | S | S | * | * | trans | -89.9 | 96.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 442 | F | 27.9 | Very low | 47.2 | Very low | 213 Ų | 213 | 106.2 Ų | 106.2 | 93% | 0.934 | 57% | 0.573 | S | S | * | * | trans | -139.9 | 111.7 | 165.8 | -97.9 | -86.6 | 0 | 0 | 0 | 109.7 | S440 | S440-F442 PolarHBondContact O-N 2.69Š| ||
| 443 | G | 29.4 | Very low | 47.2 | Very low | 81 Ų | 81 | 111.3 Ų | 111.3 | 84% | 0.835 | 60% | 0.602 | S | S | * | * | trans | -145.7 | 112.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 444 | A | 30.7 | Very low | 47.8 | Very low | 93 Ų | 93 | 108 Ų | 108 | 77% | 0.769 | 60% | 0.596 | S | S | * | * | trans | -97.5 | 126.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 445 | D | 32.4 | Very low | 48.8 | Very low | 122 Ų | 122 | 105.1 Ų | 105.1 | 65% | 0.652 | 60% | 0.599 | S | S | * | * | trans | -99.9 | 120.6 | 174.2 | -171.2 | -7.6 | 0 | 0 | 0 | 109 | N447 | D445-N447 VanDerWaalsContact C-N 3.33Å; D445-N447 PolarHBondContact OD1-N 3.16Å; D445-N447 VanDerWaalsContact OD1-N 3.08Å; D445-N447 PolarHBondContact OD1-ND2 3.25Å; D445-N447 VanDerWaalsContact OD1-ND2 3.16Å | ||
| 446 | Y | 35.4 | Very low | 50.3 | Low | 137 Ų | 137 | 98 Ų | 98 | 54% | 0.537 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -80.5 | -8.7 | -178.2 | -90.7 | -98.4 | 0 | 0 | 0 | 113.5 | P35 A448 M449 | P35-Y446 HydrophobicContact CG-CD2 4.4Å; P35-Y446 HydrophobicContact CG-CE2 3.64Å; Y446-A448 VanDerWaalsContact C-N 3.27Å; Y446-A448 PolarHBondContact O-N 2.71Å; Y446-M449 HydrophobicContact CD1-SD 3.7Å; Y446-M449 HydrophobicContact CE1-SD 4.06Å; Y446-M449 PolarHBondContact O-N 2.88Å |
| 447 | N | 39.5 | Very low | 52.5 | Low | 100 Ų | 100 | 100.6 Ų | 100.6 | 54% | 0.535 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -78.2 | -4.3 | -173.1 | -67 | -49.2 | 0 | 0 | 0 | 115 | D445 | D445-N447 VanDerWaalsContact C-N 3.33Å; D445-N447 PolarHBondContact OD1-N 3.16Å; D445-N447 VanDerWaalsContact OD1-N 3.08Å; D445-N447 PolarHBondContact OD1-ND2 3.25Å; D445-N447 VanDerWaalsContact OD1-ND2 3.16Å |
| 448 | A | 44.8 | Very low | 55.1 | Low | 77 Ų | 77 | 94 Ų | 94 | 64% | 0.636 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -94.4 | 8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y446 I450 | Y446-A448 VanDerWaalsContact C-N 3.27Å; Y446-A448 PolarHBondContact O-N 2.71Å; A448-I450 PolarHBondContact O-N 3.12Å |
| 449 | M | 56.8 | Low | 57.5 | Low | 114 Ų | 114 | 89.9 Ų | 89.9 | 56% | 0.562 | 53% | 0.533 | S | S | * | . | trans | -65.7 | 110.5 | -174.8 | -114.5 | 167.3 | 93.1 | 0 | 0 | 111.8 | Y446 R451 | Y446-M449 HydrophobicContact CD1-SD 3.7Å; Y446-M449 HydrophobicContact CE1-SD 4.06Å; Y446-M449 PolarHBondContact O-N 2.88Å; M449-R451 PolarHBondContact O-N 2.95Å; M449-R451 VanDerWaalsContact O-N 3.13Å | ||
| 450 | I | 63.7 | Low | 60.3 | Low | 15 Ų | 15 | 85.7 Ų | 85.7 | 8% | 0.077 | 50% | 0.499 | C | S | . | . | trans | -53.1 | 113.3 | 166 | -72.1 | 163.2 | 0 | 0 | 0 | 108.7 | A448 V452 F474 V490 Y527 | A448-I450 PolarHBondContact O-N 3.12Å; I450-V452 HydrophobicContact CG2-CG2 3.6Å; I450-F474 HydrophobicContact CB-CD1 4.27Å; I450-F474 HydrophobicContact CB-CE1 4.5Å; I450-F474 HydrophobicContact CB-CG 4.38Å; I450-F474 HydrophobicContact CD1-CB 3.57Å; I450-F474 HydrophobicContact CD1-CD1 4.4Å; I450-F474 HydrophobicContact CD1-CD2 4.41Å; I450-F474 HydrophobicContact CD1-CG 3.9Å; I450-F474 HydrophobicContact CG1-CB 4Å; I450-F474 HydrophobicContact CG1-CD1 3.92Å; I450-F474 HydrophobicContact CG1-CG 3.93Å; I450-F474 HydrophobicContact CG2-CB 4.45Å; I450-F474 HydrophobicContact CG2-CD1 3.54Å; I450-F474 HydrophobicContact CG2-CD2 3.5Å; I450-F474 VanDerWaalsContact CG2-CD2 3.5Å; I450-F474 HydrophobicContact CG2-CE1 3.5Å; I450-F474 VanDerWaalsContact CG2-CE1 3.5Å; I450-F474 HydrophobicContact CG2-CE2 3.44Å; I450-F474 VanDerWaalsContact CG2-CE2 3.44Å; I450-F474 HydrophobicContact CG2-CG 3.55Å; I450-F474 HydrophobicContact CG2-CZ 3.45Å; I450-F474 VanDerWaalsContact CG2-CZ 3.45Å; I450-V490 HydrophobicContact CD1-CB 4.01Å; I450-V490 HydrophobicContact CD1-CG2 3.6Å; I450-Y527 HydrophobicContact CB-CD1 3.79Å; I450-Y527 HydrophobicContact CB-CE1 3.8Å; I450-Y527 HydrophobicContact CD1-CE1 4.16Å; I450-Y527 HydrophobicContact CG1-CE1 4.47Å; I450-Y527 HydrophobicContact CG2-CD1 4.1Å; I450-Y527 HydrophobicContact CG2-CE1 4.39Å; I450-Y527 WeakPolarHBondContact O-CD1 3.39Å | ||
| 451 | R | 66.8 | Low | 63.4 | Low | 156 Ų | 156 | 86 Ų | 86 | 59% | 0.589 | 49% | 0.489 | S | S | * | . | trans | -88.2 | 125.8 | 171.6 | -71.2 | -172.6 | -179.7 | 165 | 3.5 | 109.2 | E228 M449 | E228-R451 IonicContact OE2-NH1 2.7Å; E228-R451 IonicContact OE2-NH2 3.91Å; M449-R451 PolarHBondContact O-N 2.95Å; M449-R451 VanDerWaalsContact O-N 3.13Å | ||
| 452 | V | 72.6 | Confident | 66.6 | Low | 21 Ų | 21 | 88.9 Ų | 88.9 | 13% | 0.127 | 49% | 0.486 | C | S | . | . | trans | -123.4 | 117.1 | 180 | -168.8 | 0 | 0 | 0 | 0 | 108.7 | I450 S454 F474 V492 A530 | I450-V452 HydrophobicContact CG2-CG2 3.6Å; V452-S454 VanDerWaalsContact C-N 3.31Å; V452-S454 VanDerWaalsContact CG1-OG 3.26Å; V452-S454 WeakPolarHBondContact CG1-OG 3.09Å; V452-F474 HydrophobicContact CG2-CE2 3.82Å; V452-F474 HydrophobicContact CG2-CZ 3.9Å; V452-V492 HydrophobicContact CG1-CG1 4.16Å; V452-V492 HydrophobicContact CG1-CG2 4.28Å; V452-V492 HydrophobicContact CG2-CG2 4.19Å; V452-A530 HydrophobicContact CB-CB 3.68Å; V452-A530 HydrophobicContact CG1-CB 3.55Å; V452-A530 HydrophobicContact CG2-CB 4.15Å | ||
| 453 | D | 70.9 | Confident | 69.8 | Low | 175 Ų | 175 | 83.4 Ų | 83.4 | 94% | 0.936 | 46% | 0.463 | S | S | * | . | trans | -81.4 | -10.9 | -178.9 | -64.8 | -33.3 | 0 | 0 | 0 | 113.2 | ||||
| 454 | S | 76.3 | Confident | 73 | Confident | 40 Ų | 40 | 81.6 Ų | 81.6 | 28% | 0.28 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -89.2 | 154.2 | 176 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | V452 T471 A530 | V452-S454 VanDerWaalsContact C-N 3.31Å; V452-S454 VanDerWaalsContact CG1-OG 3.26Å; V452-S454 WeakPolarHBondContact CG1-OG 3.09Å; S454-T471 PolarHBondContact OG-OG1 3Å; S454-A530 WeakPolarHBondContact O-CB 3Å |
| 455 | A | 85.5 | Confident | 76.2 | Confident | 66 Ų | 66 | 83.5 Ų | 83.5 | 55% | 0.545 | 43% | 0.427 | S | S | . | . | trans | -102.1 | 149 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110 | Q529 | A455-Q529 WeakPolarHBondContact CA-O 3.1Å; A455-Q529 HydrophobicContact CB-CB 3.86Å | ||
| 456 | S | 92.7 | Very high | 79.2 | Confident | 16 Ų | 16 | 79 Ų | 79 | 11% | 0.112 | 40% | 0.403 | C | S | . | . | trans | -107.2 | 128 | 171.9 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | F458 L493 D494 Q529 I531 | S456-F458 PolarHBondContact O-N 3.1Å; S456-L493 WeakPolarHBondContact CB-O 3.36Å; S456-L493 PolarHBondContact OG-O 3.07Å; S456-D494 CarbonylContact C-O 3.53Å; S456-D494 WeakPolarHBondContact CA-O 3.49Å; S456-Q529 PolarHBondContact N-O 2.92Å; S456-I531 PolarHBondContact OG-N 3.22Å | ||
| 457 | E | 95.2 | Very high | 82.2 | Confident | 114 Ų | 114 | 77.9 Ų | 77.9 | 53% | 0.533 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 112.5 | 172.1 | -167.6 | -173.8 | 180 | 0 | 0 | 110.2 | K459 D494 Q495 T496 | E457-K459 HydrophobicContact CG-CG 4.43Å; E457-K459 PolarHBondContact O-N 3.44Å; E457-K459 WeakPolarHBondContact OE1-CE 3.3Å; E457-K459 IonicContact OE1-NZ 2.75Å; E457-K459 WeakPolarHBondContact OE2-CE 3.23Å; E457-K459 IonicContact OE2-NZ 2.69Å; E457-K459 PolarHBondContact OE2-NZ 2.82Å; E457-D494 PolarHBondContact N-O 2.92Å; E457-Q495 HydrophobicContact CB-CB 4.04Å; E457-Q495 CarbonylContact O-C 3.37Å; E457-Q495 WeakPolarHBondContact O-CA 3.42Å; E457-T496 PolarHBondContact O-N 3.17Å |
| 458 | F | 95.9 | Very high | 84.8 | Confident | 44 Ų | 44 | 73.4 Ų | 73.4 | 19% | 0.193 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 119.5 | 175.7 | 177.7 | -110.8 | 0 | 0 | 0 | 111.5 | S456 G460 Y461 P497 F498 Y499 I531 T669 | S456-F458 PolarHBondContact O-N 3.1Å; F458-G460 VanDerWaalsContact CE2-CA 3.43Å; F458-Y461 AromaticContact CD1-CD2 3.88Å; F458-Y461 HydrophobicContact CD1-CD2 3.88Å; F458-Y461 HydrophobicContact CD1-CE1 4.48Å; F458-Y461 AromaticContact CD1-CE2 3.59Å; F458-Y461 HydrophobicContact CD1-CE2 3.59Å; F458-Y461 HydrophobicContact CD1-CG 4.44Å; F458-Y461 AromaticContact CD1-CZ 3.93Å; F458-Y461 AromaticContact CE1-CD1 3.8Å; F458-Y461 HydrophobicContact CE1-CD1 3.8Å; F458-Y461 AromaticContact CE1-CD2 3.68Å; F458-Y461 HydrophobicContact CE1-CD2 3.68Å; F458-Y461 AromaticContact CE1-CE1 3.7Å; F458-Y461 HydrophobicContact CE1-CE1 3.7Å; F458-Y461 AromaticContact CE1-CE2 3.59Å; F458-Y461 HydrophobicContact CE1-CE2 3.59Å; F458-Y461 AromaticContact CE1-CG 3.79Å; F458-Y461 HydrophobicContact CE1-CG 3.79Å; F458-Y461 AromaticContact CE1-CZ 3.6Å; F458-P497 WeakPolarHBondContact CE2-O 3.37Å; F458-F498 WeakPolarHBondContact CD2-O 3.28Å; F458-F498 WeakPolarHBondContact CE2-O 3.45Å; F458-Y499 HydrophobicContact CE1-CD2 4.01Å; F458-Y499 HydrophobicContact CE2-CD2 4.07Å; F458-Y499 AromaticContact CZ-CD2 3.61Å; F458-Y499 HydrophobicContact CZ-CD2 3.61Å; F458-Y499 HydrophobicContact CZ-CG 4.39Å; F458-I531 HydrophobicContact CB-CD1 3.86Å; F458-I531 HydrophobicContact CD2-CD1 4.23Å; F458-I531 HydrophobicContact CG-CD1 4.46Å; F458-T669 HydrophobicContact CZ-CG2 4.32Å |
| 459 | K | 96.7 | Very high | 87.3 | Confident | 60 Ų | 60 | 74.9 Ų | 74.9 | 26% | 0.261 | 38% | 0.376 | S | S | . | . | trans | -115.3 | 9 | 177.9 | -66 | -168.9 | 176.8 | 166.9 | 0 | 113.8 | E457 Y461 D462 H463 L466 T496 | E457-K459 HydrophobicContact CG-CG 4.43Å; E457-K459 PolarHBondContact O-N 3.44Å; E457-K459 WeakPolarHBondContact OE1-CE 3.3Å; E457-K459 IonicContact OE1-NZ 2.75Å; E457-K459 WeakPolarHBondContact OE2-CE 3.23Å; E457-K459 IonicContact OE2-NZ 2.69Å; E457-K459 PolarHBondContact OE2-NZ 2.82Å; K459-Y461 PolarHBondContact O-N 2.67Å; K459-Y461 VanDerWaalsContact O-N 3.1Å; K459-D462 PolarHBondContact O-N 2.98Å; K459-H463 PolarHBondContact O-N 3.48Å; K459-L466 HydrophobicContact CB-CD2 3.58Å; K459-L466 HydrophobicContact CD-CD2 4.32Å; K459-L466 HydrophobicContact CG-CD2 4.4Å; K459-T496 PolarHBondContact N-O 3.31Å | ||
| 460 | G | 96.5 | Very high | 89.2 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -0.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | F458 H463 P497 R557 | F458-G460 VanDerWaalsContact CE2-CA 3.43Å; G460-H463 VanDerWaalsContact CA-O 3.29Å; G460-H463 WeakPolarHBondContact CA-O 3.41Å; G460-P497 WeakPolarHBondContact CA-O 3.07Å; G460-R557 PolarHBondContact O-NH1 3.49Å |
| 461 | Y | 94.9 | Very high | 90.8 | Very high | 80 Ų | 80 | 71 Ų | 71 | 31% | 0.314 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -39.5 | 171.9 | -65.1 | -54.9 | 0 | 0 | 0 | 111.9 | F458 K459 G667 G668 T669 | F458-Y461 AromaticContact CD1-CD2 3.88Å; F458-Y461 HydrophobicContact CD1-CD2 3.88Å; F458-Y461 HydrophobicContact CD1-CE1 4.48Å; F458-Y461 AromaticContact CD1-CE2 3.59Å; F458-Y461 HydrophobicContact CD1-CE2 3.59Å; F458-Y461 HydrophobicContact CD1-CG 4.44Å; F458-Y461 AromaticContact CD1-CZ 3.93Å; F458-Y461 AromaticContact CE1-CD1 3.8Å; F458-Y461 HydrophobicContact CE1-CD1 3.8Å; F458-Y461 AromaticContact CE1-CD2 3.68Å; F458-Y461 HydrophobicContact CE1-CD2 3.68Å; F458-Y461 AromaticContact CE1-CE1 3.7Å; F458-Y461 HydrophobicContact CE1-CE1 3.7Å; F458-Y461 AromaticContact CE1-CE2 3.59Å; F458-Y461 HydrophobicContact CE1-CE2 3.59Å; F458-Y461 AromaticContact CE1-CG 3.79Å; F458-Y461 HydrophobicContact CE1-CG 3.79Å; F458-Y461 AromaticContact CE1-CZ 3.6Å; K459-Y461 PolarHBondContact O-N 2.67Å; K459-Y461 VanDerWaalsContact O-N 3.1Å; Y461-G667 PolarHBondContact OH-O 3.24Å; Y461-G668 WeakPolarHBondContact CE1-O 3.42Å; Y461-T669 HydrophobicContact CD1-CG2 4.43Å |
| 462 | D | 93.3 | Very high | 92.1 | Very high | 141 Ų | 141 | 64.4 Ų | 64.4 | 75% | 0.754 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | -19.5 | -173.8 | -57.3 | -58.8 | 0 | 0 | 0 | 112.6 | K459 | K459-D462 PolarHBondContact O-N 2.98Š|
| 463 | H | 96.1 | Very high | 93.2 | Very high | 97 Ų | 97 | 63.4 Ų | 63.4 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | trans | -130.2 | 140.7 | -173.8 | -57.1 | -69.2 | 0 | 0 | 0 | 111.8 | K459 G460 L466 P497 | K459-H463 PolarHBondContact O-N 3.48Å; G460-H463 VanDerWaalsContact CA-O 3.29Å; G460-H463 WeakPolarHBondContact CA-O 3.41Å; H463-L466 HydrophobicContact CB-CD2 4.4Å; H463-P497 WeakPolarHBondContact O-CB 3.17Å | ||
| 464 | L | 96.9 | Very high | 94.3 | Very high | 44 Ų | 44 | 55.8 Ų | 55.8 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -105.2 | -14.3 | 169.1 | -61.9 | 179.9 | 0 | 0 | 0 | 112.4 | V552 E554 R557 | L464-V552 PolarHBondContact O-N 2.72Å; L464-E554 HydrophobicContact CD1-CB 3.79Å; L464-E554 HydrophobicContact CD1-CG 3.51Å; L464-R557 HydrophobicContact CD2-CG 3.9Å; L464-R557 VanDerWaalsContact CD2-NH1 3.34Å |
| 465 | E | 97.2 | Very high | 95 | Very high | 133 Ų | 133 | 55 Ų | 55 | 62% | 0.621 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133 | 135.9 | 176.2 | 58.4 | 179 | -156.6 | 0 | 0 | 109.2 | A550 | E465-A550 VanDerWaalsContact CA-O 3.29Å; E465-A550 WeakPolarHBondContact CA-O 3.32Å |
| 466 | L | 96.5 | Very high | 94.9 | Very high | 27 Ų | 27 | 59.3 Ų | 59.3 | 14% | 0.141 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 164.2 | 168.2 | 63.5 | 87.6 | 0 | 0 | 0 | 111.4 | K459 H463 Q495 P497 A550 | K459-L466 HydrophobicContact CB-CD2 3.58Å; K459-L466 HydrophobicContact CD-CD2 4.32Å; K459-L466 HydrophobicContact CG-CD2 4.4Å; H463-L466 HydrophobicContact CB-CD2 4.4Å; L466-Q495 HydrophobicContact CD1-CG 3.93Å; L466-P497 HydrophobicContact CD2-CB 3.95Å; L466-P497 HydrophobicContact CD2-CG 4.09Å; L466-P497 HydrophobicContact CG-CB 4.29Å; L466-P497 HydrophobicContact CG-CG 3.9Å; L466-A550 PolarHBondContact N-O 2.62Å; L466-A550 PolarHBondContact O-N 3.39Å |
| 467 | N | 97 | Very high | 94.3 | Very high | 114 Ų | 114 | 60.1 Ų | 60.1 | 61% | 0.61 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 127.7 | 172.2 | -66.4 | -42.1 | 0 | 0 | 0 | 111.1 | Q495 V548 | N467-Q495 PolarHBondContact O-NE2 3.43Å; N467-V548 CarbonylContact C-O 3.57Å; N467-V548 VanDerWaalsContact CA-O 3.27Å; N467-V548 WeakPolarHBondContact CA-O 3.01Å |
| 468 | G | 95.8 | Very high | 93.8 | Very high | 6 Ų | 6 | 62 Ų | 62 | 6% | 0.062 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 175 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A547 V548 | G468-A547 WeakPolarHBondContact O-CA 3.45Å; G468-V548 PolarHBondContact N-O 3.2Å; G468-V548 PolarHBondContact O-N 3.47Å |
| 469 | K | 97.2 | Very high | 93.6 | Very high | 108 Ų | 108 | 63.7 Ų | 63.7 | 47% | 0.47 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 133.5 | 177 | -176.4 | -179.2 | 176.9 | -177.7 | 0 | 110.2 | T471 L493 D494 G545 D546 | K469-T471 PolarHBondContact O-N 3.47Å; K469-L493 VanDerWaalsContact O-CA 3.3Å; K469-L493 WeakPolarHBondContact O-CA 3.22Å; K469-D494 PolarHBondContact N-OD1 2.89Å; K469-D494 PolarHBondContact O-N 3.22Å; K469-G545 WeakPolarHBondContact CE-O 3.36Å; K469-D546 WeakPolarHBondContact CA-O 3.37Å |
| 470 | V | 96.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 120.4 | 174.7 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | L473 V491 V492 L493 L542 G545 D546 V548 | V470-L473 HydrophobicContact CG1-CD1 4.45Å; V470-L473 HydrophobicContact CG1-CD2 3.77Å; V470-L473 HydrophobicContact CG1-CG 3.8Å; V470-V491 HydrophobicContact CG1-CG1 4.19Å; V470-V491 HydrophobicContact CG2-CG1 4.15Å; V470-V492 WeakPolarHBondContact CA-O 3.38Å; V470-L493 HydrophobicContact CB-CD2 4.49Å; V470-L493 HydrophobicContact CG2-CD2 4Å; V470-L542 HydrophobicContact CG2-CD1 3.79Å; V470-L542 HydrophobicContact CG2-CD2 4.34Å; V470-L542 HydrophobicContact CG2-CG 4.22Å; V470-G545 WeakPolarHBondContact O-CA 3.48Å; V470-G545 PolarHBondContact O-N 3.45Å; V470-D546 HydrophobicContact CG2-CB 4.44Å; V470-D546 PolarHBondContact N-O 3.41Å; V470-V548 HydrophobicContact CG2-CG1 3.56Å |
| 471 | T | 96.1 | Very high | 93.4 | Very high | 47 Ų | 47 | 69.6 Ų | 69.6 | 29% | 0.288 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -28.2 | 176.9 | 58.7 | 0 | 0 | 0 | 0 | 112.6 | S454 K469 V492 D494 | S454-T471 PolarHBondContact OG-OG1 3Å; K469-T471 PolarHBondContact O-N 3.47Å; T471-V492 PolarHBondContact N-O 2.88Å; T471-V492 WeakPolarHBondContact OG1-CG1 3.38Å; T471-V492 PolarHBondContact OG1-O 3.16Å; T471-D494 HydrophobicContact CG2-CB 3.79Å |
| 472 | A | 95.4 | Very high | 93.5 | Very high | 16 Ų | 16 | 67.5 Ų | 67.5 | 13% | 0.132 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 154.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F474 V492 | A472-F474 HydrophobicContact CB-CD2 4.41Å; A472-F474 HydrophobicContact CB-CE2 3.52Å; A472-F474 HydrophobicContact CB-CZ 3.95Å; A472-V492 HydrophobicContact CB-CB 4.14Å; A472-V492 HydrophobicContact CB-CG2 4.26Å; A472-V492 PolarHBondContact O-N 2.9Å |
| 473 | L | 95.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 139.5 | 173 | -65.4 | 171.7 | 0 | 0 | 0 | 109 | V470 A479 V480 I483 V490 V491 L542 V544 | V470-L473 HydrophobicContact CG1-CD1 4.45Å; V470-L473 HydrophobicContact CG1-CD2 3.77Å; V470-L473 HydrophobicContact CG1-CG 3.8Å; L473-A479 WeakPolarHBondContact O-CA 3.23Å; L473-V480 HydrophobicContact CB-CG2 3.82Å; L473-V480 WeakPolarHBondContact CB-O 3.46Å; L473-V480 PolarHBondContact O-N 2.94Å; L473-I483 HydrophobicContact CD1-CG1 4.43Å; L473-I483 HydrophobicContact CD2-CD1 4.33Å; L473-V490 WeakPolarHBondContact CA-O 3.34Å; L473-V491 HydrophobicContact CD2-CB 4.11Å; L473-V491 HydrophobicContact CD2-CG1 3.9Å; L473-V491 HydrophobicContact CD2-CG2 3.72Å; L473-L542 WeakPolarHBondContact CD1-O 3.34Å; L473-L542 HydrophobicContact CD2-CD2 4.01Å; L473-L542 HydrophobicContact CD2-CG 4.33Å; L473-V544 HydrophobicContact CB-CG2 4.28Å; L473-V544 HydrophobicContact CD1-CG2 4.1Å; L473-V544 HydrophobicContact CG-CG2 3.97Å |
| 474 | F | 93.3 | Very high | 93.6 | Very high | 15 Ų | 15 | 60.5 Ų | 60.5 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138 | 177.1 | -57.4 | -94.2 | 0 | 0 | 0 | 111.5 | I450 V452 A472 K478 A479 A489 V490 V492 | I450-F474 HydrophobicContact CB-CD1 4.27Å; I450-F474 HydrophobicContact CB-CE1 4.5Å; I450-F474 HydrophobicContact CB-CG 4.38Å; I450-F474 HydrophobicContact CD1-CB 3.57Å; I450-F474 HydrophobicContact CD1-CD1 4.4Å; I450-F474 HydrophobicContact CD1-CD2 4.41Å; I450-F474 HydrophobicContact CD1-CG 3.9Å; I450-F474 HydrophobicContact CG1-CB 4Å; I450-F474 HydrophobicContact CG1-CD1 3.92Å; I450-F474 HydrophobicContact CG1-CG 3.93Å; I450-F474 HydrophobicContact CG2-CB 4.45Å; I450-F474 HydrophobicContact CG2-CD1 3.54Å; I450-F474 HydrophobicContact CG2-CD2 3.5Å; I450-F474 VanDerWaalsContact CG2-CD2 3.5Å; I450-F474 HydrophobicContact CG2-CE1 3.5Å; I450-F474 VanDerWaalsContact CG2-CE1 3.5Å; I450-F474 HydrophobicContact CG2-CE2 3.44Å; I450-F474 VanDerWaalsContact CG2-CE2 3.44Å; I450-F474 HydrophobicContact CG2-CG 3.55Å; I450-F474 HydrophobicContact CG2-CZ 3.45Å; I450-F474 VanDerWaalsContact CG2-CZ 3.45Å; V452-F474 HydrophobicContact CG2-CE2 3.82Å; V452-F474 HydrophobicContact CG2-CZ 3.9Å; A472-F474 HydrophobicContact CB-CD2 4.41Å; A472-F474 HydrophobicContact CB-CE2 3.52Å; A472-F474 HydrophobicContact CB-CZ 3.95Å; F474-K478 CarbonylContact C-O 3.21Å; F474-K478 WeakPolarHBondContact CA-O 3.34Å; F474-A479 HydrophobicContact CD1-CB 4.06Å; F474-A479 HydrophobicContact CE1-CB 3.81Å; F474-A489 CarbonylContact O-C 3.48Å; F474-A489 WeakPolarHBondContact O-CA 3.37Å; F474-A489 VanDerWaalsContact O-CB 3.31Å; F474-A489 WeakPolarHBondContact O-CB 3.44Å; F474-V490 HydrophobicContact CB-CB 4.24Å; F474-V490 PolarHBondContact N-O 3.31Å; F474-V490 PolarHBondContact O-N 3.32Å; F474-V492 HydrophobicContact CD2-CG2 4.46Å; F474-V492 HydrophobicContact CE2-CG2 4.05Å |
| 475 | V | 90.8 | Very high | 93.5 | Very high | 24 Ų | 24 | 61 Ų | 61 | 15% | 0.145 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 128.7 | 171.4 | 178.2 | 0 | 0 | 0 | 0 | 107.2 | G477 K478 V480 I483 A489 | V475-G477 PolarHBondContact O-N 3.47Å; V475-G477 VanDerWaalsContact O-N 3.14Å; V475-K478 PolarHBondContact N-O 3.03Å; V475-K478 PolarHBondContact O-N 2.88Å; V475-V480 HydrophobicContact CB-CG1 4.43Å; V475-V480 HydrophobicContact CG2-CG1 4.45Å; V475-V480 HydrophobicContact CG2-CG2 3.91Å; V475-I483 HydrophobicContact CG2-CG2 3.62Å; V475-A489 HydrophobicContact CG2-CB 4.14Å |
| 476 | D | 82.6 | Confident | 93.4 | Very high | 155 Ų | 155 | 56.8 Ų | 56.8 | 83% | 0.829 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 41 | -177.5 | -55.8 | -37.6 | 0 | 0 | 0 | 113.1 | K478 | D476-K478 VanDerWaalsContact C-N 3.25Å; D476-K478 PolarHBondContact O-N 2.97Å |
| 477 | G | 80.9 | Confident | 93.3 | Very high | 34 Ų | 34 | 58.9 Ų | 58.9 | 35% | 0.351 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | -5.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.8 | V475 | V475-G477 PolarHBondContact O-N 3.47Å; V475-G477 VanDerWaalsContact O-N 3.14Å |
| 478 | K | 85 | Confident | 93.1 | Very high | 154 Ų | 154 | 59.6 Ų | 59.6 | 67% | 0.67 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 135.7 | -177 | -64.6 | 177.5 | -177 | 173.3 | 0 | 111.8 | F474 V475 D476 | F474-K478 CarbonylContact C-O 3.21Å; F474-K478 WeakPolarHBondContact CA-O 3.34Å; V475-K478 PolarHBondContact N-O 3.03Å; V475-K478 PolarHBondContact O-N 2.88Å; D476-K478 VanDerWaalsContact C-N 3.25Å; D476-K478 PolarHBondContact O-N 2.97Å |
| 479 | A | 90.8 | Very high | 93.1 | Very high | 79 Ų | 79 | 59.6 Ų | 59.6 | 65% | 0.653 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 135.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | L473 F474 | L473-A479 WeakPolarHBondContact O-CA 3.23Å; F474-A479 HydrophobicContact CD1-CB 4.06Å; F474-A479 HydrophobicContact CE1-CB 3.81Å |
| 480 | V | 93.9 | Very high | 93.1 | Very high | 47 Ų | 47 | 55.1 Ų | 55.1 | 29% | 0.285 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 153.4 | 176.8 | -63.1 | 0 | 0 | 0 | 0 | 110.5 | L473 V475 I483 | L473-V480 HydrophobicContact CB-CG2 3.82Å; L473-V480 WeakPolarHBondContact CB-O 3.46Å; L473-V480 PolarHBondContact O-N 2.94Å; V475-V480 HydrophobicContact CB-CG1 4.43Å; V475-V480 HydrophobicContact CG2-CG1 4.45Å; V475-V480 HydrophobicContact CG2-CG2 3.91Å; V480-I483 HydrophobicContact CG2-CG2 3.83Å |
| 481 | D | 95.5 | Very high | 93.1 | Very high | 139 Ų | 139 | 55 Ų | 55 | 74% | 0.743 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -80.4 | -22.9 | 177.7 | -66 | -40.5 | 0 | 0 | 0 | 113 | K543 V544 | D481-K543 WeakPolarHBondContact O-CA 3.37Å; D481-V544 PolarHBondContact O-N 2.95Å |
| 482 | A | 96.3 | Very high | 93.1 | Very high | 36 Ų | 36 | 52.8 Ų | 52.8 | 30% | 0.298 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 151.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L542 K543 | A482-L542 CarbonylContact C-O 3.49Å; A482-L542 VanDerWaalsContact CA-O 3.24Å; A482-L542 WeakPolarHBondContact CA-O 3.48Å; A482-K543 HydrophobicContact CB-CG 3.81Å |
| 483 | I | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 151.9 | 169.5 | 62 | 174.3 | 0 | 0 | 0 | 110.3 | L473 V475 V480 A489 V491 F519 L537 S541 L542 | L473-I483 HydrophobicContact CD1-CG1 4.43Å; L473-I483 HydrophobicContact CD2-CD1 4.33Å; V475-I483 HydrophobicContact CG2-CG2 3.62Å; V480-I483 HydrophobicContact CG2-CG2 3.83Å; I483-A489 HydrophobicContact CD1-CB 3.62Å; I483-A489 HydrophobicContact CG2-CB 3.99Å; I483-V491 HydrophobicContact CD1-CG2 4.43Å; I483-F519 HydrophobicContact CD1-CD2 4.01Å; I483-F519 HydrophobicContact CD1-CE2 3.92Å; I483-L537 HydrophobicContact CD1-CB 4.25Å; I483-L537 HydrophobicContact CD1-CD2 4.35Å; I483-L537 HydrophobicContact CG1-CD2 3.89Å; I483-L537 WeakPolarHBondContact O-CD2 3.29Å; I483-S541 CarbonylContact O-C 3.58Å; I483-S541 VanDerWaalsContact O-CA 3.25Å; I483-S541 WeakPolarHBondContact O-CA 3.45Å; I483-L542 HydrophobicContact CD1-CB 4.3Å; I483-L542 HydrophobicContact CD1-CD2 4.22Å; I483-L542 HydrophobicContact CG1-CB 3.83Å; I483-L542 PolarHBondContact N-O 3.22Å; I483-L542 PolarHBondContact O-N 3.25Å |
| 484 | N | 95.7 | Very high | 93.3 | Very high | 90 Ų | 90 | 54.7 Ų | 54.7 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 161.1 | -179.2 | -58.6 | -77.6 | 0 | 0 | 0 | 111.3 | G486 Q487 | N484-G486 PolarHBondContact O-N 3.24Å; N484-Q487 WeakPolarHBondContact O-CB 3.46Å; N484-Q487 WeakPolarHBondContact O-CG 3.42Å; N484-Q487 PolarHBondContact O-N 3.39Å; N484-Q487 VanDerWaalsContact O-N 3.08Å |
| 485 | A | 95.6 | Very high | 93.5 | Very high | 54 Ų | 54 | 56.3 Ų | 56.3 | 45% | 0.446 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 133.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L537 G540 | A485-L537 CarbonylContact C-O 3.57Å; A485-L537 WeakPolarHBondContact CA-O 3.38Å; A485-G540 PolarHBondContact N-O 2.97Å |
| 486 | G | 93.5 | Very high | 93.8 | Very high | 46 Ų | 46 | 55.1 Ų | 55.1 | 47% | 0.474 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | -13 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N484 K536 L537 | N484-G486 PolarHBondContact O-N 3.24Å; G486-K536 WeakPolarHBondContact O-CE 3.3Å; G486-L537 PolarHBondContact N-O 3.1Å |
| 487 | Q | 94.4 | Very high | 94.5 | Very high | 71 Ų | 71 | 47.8 Ų | 47.8 | 33% | 0.332 | 29% | 0.286 | S | S | . | . | trans | -83.7 | 138.5 | 178.6 | -61.9 | -172.5 | -83.8 | 0 | 0 | 112.1 | N484 K536 L537 | N484-Q487 WeakPolarHBondContact O-CB 3.46Å; N484-Q487 WeakPolarHBondContact O-CG 3.42Å; N484-Q487 PolarHBondContact O-N 3.39Å; N484-Q487 VanDerWaalsContact O-N 3.08Å; Q487-K536 WeakPolarHBondContact O-CA 3.39Å; Q487-L537 PolarHBondContact O-N 3.28Å | ||
| 488 | E | 94.5 | Very high | 95.4 | Very high | 128 Ų | 128 | 46.1 Ų | 46.1 | 60% | 0.598 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 139.3 | 166.8 | -72.6 | 169.9 | -158.3 | 0 | 0 | 109.4 | G535 K536 | E488-G535 CarbonylContact C-O 3.43Å; E488-G535 VanDerWaalsContact CA-O 3.29Å; E488-G535 WeakPolarHBondContact CA-O 3.24Å; E488-K536 HydrophobicContact CG-CB 4.19Å; E488-K536 HydrophobicContact CG-CD 4.29Å; E488-K536 HydrophobicContact CG-CG 4.18Å |
| 489 | A | 95.4 | Very high | 96 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 167 | -175 | 0 | 0 | 0 | 0 | 0 | 112.2 | F474 V475 I483 F519 G535 | F474-A489 CarbonylContact O-C 3.48Å; F474-A489 WeakPolarHBondContact O-CA 3.37Å; F474-A489 VanDerWaalsContact O-CB 3.31Å; F474-A489 WeakPolarHBondContact O-CB 3.44Å; V475-A489 HydrophobicContact CG2-CB 4.14Å; I483-A489 HydrophobicContact CD1-CB 3.62Å; I483-A489 HydrophobicContact CG2-CB 3.99Å; A489-F519 HydrophobicContact CB-CE2 4.16Å; A489-G535 PolarHBondContact N-O 2.92Å; A489-G535 PolarHBondContact O-N 2.73Å; A489-G535 VanDerWaalsContact O-N 3.11Å |
| 490 | V | 95.8 | Very high | 96.2 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.4 | 162.5 | -173.3 | 0 | 0 | 0 | 0 | 108.4 | I450 L473 F474 Y527 H533 I534 | I450-V490 HydrophobicContact CD1-CB 4.01Å; I450-V490 HydrophobicContact CD1-CG2 3.6Å; L473-V490 WeakPolarHBondContact CA-O 3.34Å; F474-V490 HydrophobicContact CB-CB 4.24Å; F474-V490 PolarHBondContact N-O 3.31Å; F474-V490 PolarHBondContact O-N 3.32Å; V490-Y527 HydrophobicContact CG1-CE2 3.78Å; V490-H533 WeakPolarHBondContact CA-O 3.21Å; V490-I534 HydrophobicContact CG1-CG1 4.48Å; V490-I534 HydrophobicContact CG2-CG1 4.18Å |
| 491 | V | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 127 | 177.6 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | V470 L473 I483 L493 L512 F519 H533 L542 | V470-V491 HydrophobicContact CG1-CG1 4.19Å; V470-V491 HydrophobicContact CG2-CG1 4.15Å; L473-V491 HydrophobicContact CD2-CB 4.11Å; L473-V491 HydrophobicContact CD2-CG1 3.9Å; L473-V491 HydrophobicContact CD2-CG2 3.72Å; I483-V491 HydrophobicContact CD1-CG2 4.43Å; V491-L493 HydrophobicContact CG1-CD2 3.99Å; V491-L512 HydrophobicContact CB-CD1 4.02Å; V491-L512 HydrophobicContact CG1-CD1 3.79Å; V491-L512 HydrophobicContact CG2-CD1 4.46Å; V491-F519 HydrophobicContact CG2-CD1 4.11Å; V491-F519 HydrophobicContact CG2-CD2 4.14Å; V491-F519 HydrophobicContact CG2-CE1 3.79Å; V491-F519 HydrophobicContact CG2-CE2 3.83Å; V491-F519 HydrophobicContact CG2-CG 4.27Å; V491-F519 HydrophobicContact CG2-CZ 3.64Å; V491-H533 HydrophobicContact CB-CB 4.35Å; V491-H533 PolarHBondContact N-O 3.2Å; V491-H533 PolarHBondContact O-N 2.88Å; V491-H533 PolarHBondContact O-ND1 3.06Å; V491-L542 HydrophobicContact CG1-CD2 4.05Å; V491-L542 HydrophobicContact CG2-CD2 3.87Å |
| 492 | V | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 132.3 | 174.9 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | V452 V470 T471 A472 F474 A530 | V452-V492 HydrophobicContact CG1-CG1 4.16Å; V452-V492 HydrophobicContact CG1-CG2 4.28Å; V452-V492 HydrophobicContact CG2-CG2 4.19Å; V470-V492 WeakPolarHBondContact CA-O 3.38Å; T471-V492 PolarHBondContact N-O 2.88Å; T471-V492 WeakPolarHBondContact OG1-CG1 3.38Å; T471-V492 PolarHBondContact OG1-O 3.16Å; A472-V492 HydrophobicContact CB-CB 4.14Å; A472-V492 HydrophobicContact CB-CG2 4.26Å; A472-V492 PolarHBondContact O-N 2.9Å; F474-V492 HydrophobicContact CD2-CG2 4.46Å; F474-V492 HydrophobicContact CE2-CG2 4.05Å; V492-A530 HydrophobicContact CG1-CB 3.87Å |
| 493 | L | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 155.2 | 176.6 | -54.1 | -177.4 | 0 | 0 | 0 | 111.2 | S456 K469 V470 V491 Q495 L512 V548 A550 | S456-L493 WeakPolarHBondContact CB-O 3.36Å; S456-L493 PolarHBondContact OG-O 3.07Å; K469-L493 VanDerWaalsContact O-CA 3.3Å; K469-L493 WeakPolarHBondContact O-CA 3.22Å; V470-L493 HydrophobicContact CB-CD2 4.49Å; V470-L493 HydrophobicContact CG2-CD2 4Å; V491-L493 HydrophobicContact CG1-CD2 3.99Å; L493-Q495 WeakPolarHBondContact CB-O 3.3Å; L493-L512 HydrophobicContact CD1-CD1 4.37Å; L493-L512 HydrophobicContact CD1-CD2 4Å; L493-V548 HydrophobicContact CD1-CG2 3.61Å; L493-V548 HydrophobicContact CD2-CG1 4.39Å; L493-V548 HydrophobicContact CD2-CG2 3.58Å; L493-V548 HydrophobicContact CG-CG2 4.26Å; L493-A550 HydrophobicContact CD1-CB 4.16Å |
| 494 | D | 96.6 | Very high | 94.7 | Very high | 57 Ų | 57 | 34.4 Ų | 34.4 | 31% | 0.305 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -66.7 | -36.3 | 170.8 | 62.5 | -21 | 0 | 0 | 0 | 112.7 | S456 E457 K469 T471 | S456-D494 CarbonylContact C-O 3.53Å; S456-D494 WeakPolarHBondContact CA-O 3.49Å; E457-D494 PolarHBondContact N-O 2.92Å; K469-D494 PolarHBondContact N-OD1 2.89Å; K469-D494 PolarHBondContact O-N 3.22Å; T471-D494 HydrophobicContact CG2-CB 3.79Å |
| 495 | Q | 97.1 | Very high | 94.7 | Very high | 48 Ų | 48 | 30.1 Ų | 30.1 | 22% | 0.224 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 147.4 | 173.7 | 61.2 | -173.6 | -36 | 0 | 0 | 110.2 | E457 L466 N467 L493 | E457-Q495 HydrophobicContact CB-CB 4.04Å; E457-Q495 CarbonylContact O-C 3.37Å; E457-Q495 WeakPolarHBondContact O-CA 3.42Å; L466-Q495 HydrophobicContact CD1-CG 3.93Å; N467-Q495 PolarHBondContact O-NE2 3.43Å; L493-Q495 WeakPolarHBondContact CB-O 3.3Å |
| 496 | T | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 145.7 | -176.1 | -179.4 | 0 | 0 | 0 | 0 | 113.2 | E457 K459 F498 I531 H533 | E457-T496 PolarHBondContact O-N 3.17Å; K459-T496 PolarHBondContact N-O 3.31Å; T496-F498 VanDerWaalsContact C-N 3.33Å; T496-F498 WeakPolarHBondContact OG1-CB 3.42Å; T496-F498 PolarHBondContact OG1-N 3.46Å; T496-I531 HydrophobicContact CG2-CB 3.88Å; T496-I531 HydrophobicContact CG2-CD1 3.68Å; T496-I531 HydrophobicContact CG2-CG1 4.38Å; T496-I531 HydrophobicContact CG2-CG2 3.71Å; T496-H533 WeakPolarHBondContact CB-NE2 3.31Å; T496-H533 PolarHBondContact OG1-NE2 3.4Å |
| 497 | P | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -82.9 | -10.4 | 169.5 | 31.6 | -26.3 | 0 | 0 | 0 | 112.3 | F458 G460 H463 L466 A550 V552 R557 | F458-P497 WeakPolarHBondContact CE2-O 3.37Å; G460-P497 WeakPolarHBondContact CA-O 3.07Å; H463-P497 WeakPolarHBondContact O-CB 3.17Å; L466-P497 HydrophobicContact CD2-CB 3.95Å; L466-P497 HydrophobicContact CD2-CG 4.09Å; L466-P497 HydrophobicContact CG-CB 4.29Å; L466-P497 HydrophobicContact CG-CG 3.9Å; P497-A550 HydrophobicContact CG-CB 3.94Å; P497-A550 WeakPolarHBondContact CG-O 3.5Å; P497-V552 HydrophobicContact CB-CG2 4.08Å; P497-V552 HydrophobicContact CG-CG2 4.06Å; P497-R557 PolarHBondContact O-NH2 3.08Å |
| 498 | F | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 126.3 | -178 | -72.3 | -113.1 | 0 | 0 | 0 | 111 | F458 T496 D508 L512 V521 T524 H533 A550 D551 V552 | F458-F498 WeakPolarHBondContact CD2-O 3.28Å; F458-F498 WeakPolarHBondContact CE2-O 3.45Å; T496-F498 VanDerWaalsContact C-N 3.33Å; T496-F498 WeakPolarHBondContact OG1-CB 3.42Å; T496-F498 PolarHBondContact OG1-N 3.46Å; F498-D508 HydrophobicContact CB-CB 4.19Å; F498-D508 HydrophobicContact CD1-CB 3.73Å; F498-D508 HydrophobicContact CG-CB 4.27Å; F498-L512 HydrophobicContact CE2-CD2 3.97Å; F498-L512 HydrophobicContact CZ-CD2 4.32Å; F498-V521 HydrophobicContact CD1-CB 4.4Å; F498-V521 HydrophobicContact CD1-CG1 3.91Å; F498-V521 HydrophobicContact CE1-CB 3.69Å; F498-V521 HydrophobicContact CE1-CG1 3.7Å; F498-V521 HydrophobicContact CE1-CG2 3.89Å; F498-V521 HydrophobicContact CZ-CB 4.31Å; F498-V521 HydrophobicContact CZ-CG2 4.08Å; F498-T524 HydrophobicContact CB-CG2 3.89Å; F498-T524 WeakPolarHBondContact CD1-OG1 3.48Å; F498-H533 AromaticContact CD2-CD2 3.92Å; F498-H533 AromaticContact CD2-NE2 3.97Å; F498-H533 AromaticContact CG-CD2 3.67Å; F498-H533 AromaticContact CG-NE2 3.93Å; F498-A550 HydrophobicContact CD2-CB 4.27Å; F498-A550 HydrophobicContact CE2-CB 3.91Å; F498-D551 WeakPolarHBondContact CZ-O 3.12Å; F498-V552 HydrophobicContact CB-CG2 4.46Å; F498-V552 HydrophobicContact CD1-CG2 4.16Å; F498-V552 HydrophobicContact CD2-CG2 3.61Å; F498-V552 HydrophobicContact CE1-CG2 4.31Å; F498-V552 HydrophobicContact CE2-CG2 3.76Å; F498-V552 HydrophobicContact CG-CG2 3.82Å; F498-V552 HydrophobicContact CZ-CG2 4.13Å |
| 499 | Y | 98 | Very high | 95.2 | Very high | 13 Ų | 13 | 20.7 Ų | 20.7 | 5% | 0.051 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -78.1 | 123.8 | 173.9 | -169.6 | -96.7 | 0 | 0 | 0 | 108.9 | F458 Q505 G507 D508 T524 G667 T669 | F458-Y499 HydrophobicContact CE1-CD2 4.01Å; F458-Y499 HydrophobicContact CE2-CD2 4.07Å; F458-Y499 AromaticContact CZ-CD2 3.61Å; F458-Y499 HydrophobicContact CZ-CD2 3.61Å; F458-Y499 HydrophobicContact CZ-CG 4.39Å; Y499-Q505 HydrophobicContact CD1-CB 4.45Å; Y499-Q505 HydrophobicContact CD1-CG 4.19Å; Y499-Q505 HydrophobicContact CE1-CB 3.85Å; Y499-Q505 HydrophobicContact CE1-CG 4.06Å; Y499-G507 WeakPolarHBondContact O-CA 3.29Å; Y499-D508 WeakPolarHBondContact CA-OD2 3.2Å; Y499-D508 WeakPolarHBondContact CB-OD2 3.44Å; Y499-D508 PolarHBondContact N-OD2 2.98Å; Y499-D508 PolarHBondContact O-N 2.7Å; Y499-T524 WeakPolarHBondContact O-CB 3.5Å; Y499-G667 WeakPolarHBondContact CE2-O 3.14Å; Y499-G667 PolarHBondContact OH-O 2.95Å; Y499-T669 HydrophobicContact CD2-CG2 3.95Å; Y499-T669 HydrophobicContact CG-CG2 4.35Å |
| 500 | A | 95.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 21.4 Ų | 21.4 | 3% | 0.025 | 13% | 0.132 | C | C | . | . | P | Polyproline II helix | trans | -80.1 | 138.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S502 T524 K526 I531 | A500-S502 PolarHBondContact O-N 3.03Å; A500-T524 CarbonylContact C-O 3.59Å; A500-T524 WeakPolarHBondContact CA-O 3.44Å; A500-T524 HydrophobicContact CB-CG2 4.03Å; A500-K526 HydrophobicContact CB-CG 3.53Å; A500-I531 HydrophobicContact CB-CG1 4.16Å; A500-I531 HydrophobicContact CB-CG2 4.04Å |
| 501 | E | 92.5 | Very high | 95.4 | Very high | 83 Ų | 83 | 23.6 Ų | 23.6 | 39% | 0.388 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -48.2 | 123.3 | 179.7 | -177.1 | 168.2 | 143.8 | 0 | 0 | 111.6 | Q505 T524 Q525 | E501-Q505 VanDerWaalsContact CA-O 3.3Å; E501-Q505 WeakPolarHBondContact CA-O 3.39Å; E501-Q505 WeakPolarHBondContact CG-O 3.36Å; E501-T524 PolarHBondContact N-O 3.48Å; E501-Q525 PolarHBondContact OE2-NE2 2.98Å; E501-Q525 VanDerWaalsContact OE2-NE2 3.16Å |
| 502 | S | 87.2 | Confident | 95.5 | Very high | 37 Ų | 37 | 23.6 Ų | 23.6 | 26% | 0.259 | 14% | 0.142 | S | C | . | . | B | Isolated β-bridge | trans | -168 | 144.6 | -174.1 | -172.4 | 0 | 0 | 0 | 0 | 110.3 | A500 G504 Q505 K526 | A500-S502 PolarHBondContact O-N 3.03Å; S502-G504 PolarHBondContact O-N 3.35Å; S502-G504 VanDerWaalsContact O-N 3.13Å; S502-Q505 PolarHBondContact N-O 3.16Å; S502-Q505 VanDerWaalsContact N-O 3.07Å; S502-Q505 PolarHBondContact O-N 3.48Å; S502-K526 PolarHBondContact OG-NZ 2.96Å |
| 503 | G | 83.6 | Confident | 95.5 | Very high | 52 Ų | 52 | 27.1 Ų | 27.1 | 54% | 0.536 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 21.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q505 | G503-Q505 VanDerWaalsContact C-N 3.34Š|
| 504 | G | 86.9 | Confident | 95.2 | Very high | 21 Ų | 21 | 28.4 Ų | 28.4 | 22% | 0.216 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | -12.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | S502 S587 L588 V589 | S502-G504 PolarHBondContact O-N 3.35Å; S502-G504 VanDerWaalsContact O-N 3.13Å; G504-S587 WeakPolarHBondContact CA-O 3.26Å; G504-L588 CarbonylContact O-C 3.59Å; G504-L588 VanDerWaalsContact O-CA 3.32Å; G504-L588 WeakPolarHBondContact O-CA 3.18Å; G504-V589 PolarHBondContact O-N 2.82Å |
| 505 | Q | 95.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -79.1 | 125.9 | 171.9 | -172.8 | -171.7 | -55.8 | 0 | 0 | 109.9 | Y499 E501 S502 G503 I560 H564 T669 | Y499-Q505 HydrophobicContact CD1-CB 4.45Å; Y499-Q505 HydrophobicContact CD1-CG 4.19Å; Y499-Q505 HydrophobicContact CE1-CB 3.85Å; Y499-Q505 HydrophobicContact CE1-CG 4.06Å; E501-Q505 VanDerWaalsContact CA-O 3.3Å; E501-Q505 WeakPolarHBondContact CA-O 3.39Å; E501-Q505 WeakPolarHBondContact CG-O 3.36Å; S502-Q505 PolarHBondContact N-O 3.16Å; S502-Q505 VanDerWaalsContact N-O 3.07Å; S502-Q505 PolarHBondContact O-N 3.48Å; G503-Q505 VanDerWaalsContact C-N 3.34Å; Q505-I560 HydrophobicContact CG-CG2 3.49Å; Q505-I560 VanDerWaalsContact CG-CG2 3.49Å; Q505-H564 PolarHBondContact OE1-ND1 3.08Å; Q505-T669 PolarHBondContact NE2-OG1 2.93Å; Q505-T669 PolarHBondContact OE1-O 3.01Å; Q505-T669 PolarHBondContact OE1-OG1 3.46Å |
| 506 | V | 95.4 | Very high | 94.4 | Very high | 16 Ų | 16 | 35 Ų | 35 | 10% | 0.097 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 156 | 176.6 | -60.8 | 0 | 0 | 0 | 0 | 112.6 | I560 L588 V589 N590 | V506-I560 HydrophobicContact CG2-CD1 3.86Å; V506-I560 HydrophobicContact CG2-CG1 4.42Å; V506-L588 HydrophobicContact CG1-CD1 3.66Å; V506-V589 WeakPolarHBondContact CG2-O 3.11Å; V506-V589 PolarHBondContact N-O 3.01Å; V506-N590 HydrophobicContact CB-CB 4.46Å; V506-N590 HydrophobicContact CG1-CB 3.83Å; V506-N590 HydrophobicContact CG2-CB 3.78Å |
| 507 | G | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 151 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y499 T524 R556 | Y499-G507 WeakPolarHBondContact O-CA 3.29Å; G507-T524 WeakPolarHBondContact CA-O 3.34Å; G507-R556 PolarHBondContact O-NH1 3.34Å |
| 508 | D | 98.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -72.7 | 158 | 173.1 | -79.9 | -56.5 | 0 | 0 | 0 | 113.5 | F498 Y499 D523 T524 V552 R557 | F498-D508 HydrophobicContact CB-CB 4.19Å; F498-D508 HydrophobicContact CD1-CB 3.73Å; F498-D508 HydrophobicContact CG-CB 4.27Å; Y499-D508 WeakPolarHBondContact CA-OD2 3.2Å; Y499-D508 WeakPolarHBondContact CB-OD2 3.44Å; Y499-D508 PolarHBondContact N-OD2 2.98Å; Y499-D508 PolarHBondContact O-N 2.7Å; D508-D523 CarbonylContact O-C 3.6Å; D508-T524 PolarHBondContact O-N 3.49Å; D508-T524 PolarHBondContact O-OG1 3.01Å; D508-V552 HydrophobicContact CB-CG1 4.16Å; D508-R557 IonicContact OD1-CZ 3.73Å; D508-R557 IonicContact OD1-NE 3.81Å; D508-R557 PolarHBondContact OD1-NE 3.15Å; D508-R557 IonicContact OD1-NH2 3.93Å; D508-R557 IonicContact OD2-CZ 3.9Å; D508-R557 IonicContact OD2-NE 3.2Å; D508-R557 PolarHBondContact OD2-NE 3.32Å; D508-R557 IonicContact OD2-NH2 2.75Å; D508-R557 PolarHBondContact OD2-NH2 2.92Å |
| 509 | K | 98.4 | Very high | 94.3 | Very high | 84 Ų | 84 | 37.3 Ų | 37.3 | 37% | 0.365 | 23% | 0.234 | S | C | . | . | trans | -122.7 | 160.6 | 171.8 | -60.3 | -173.1 | -172.1 | -114.8 | 0 | 108.6 | V521 E522 D553 | K509-V521 WeakPolarHBondContact CA-O 3.49Å; K509-V521 WeakPolarHBondContact CB-O 3.48Å; K509-E522 WeakPolarHBondContact CD-O 3.38Å; K509-E522 WeakPolarHBondContact CE-O 3.21Å; K509-E522 VanDerWaalsContact CG-O 3.27Å; K509-E522 WeakPolarHBondContact CG-O 3.48Å; K509-E522 PolarHBondContact NZ-O 3.01Å; K509-D553 WeakPolarHBondContact O-CB 3.39Å; K509-D553 PolarHBondContact O-N 3.38Å | ||
| 510 | G | 98.2 | Very high | 94.3 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.4 | -143.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V521 D551 | G510-V521 PolarHBondContact N-O 3.2Å; G510-V521 VanDerWaalsContact N-O 3.11Å; G510-V521 PolarHBondContact O-N 3.12Å; G510-D551 CarbonylContact C-O 3.59Å; G510-D551 WeakPolarHBondContact CA-O 3.35Å |
| 511 | E | 98.1 | Very high | 94.4 | Very high | 59 Ų | 59 | 38.6 Ų | 38.6 | 28% | 0.276 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 139.1 | -174.3 | -160.4 | 176.9 | 176.7 | 0 | 0 | 111.7 | K513 S518 F519 D551 | E511-K513 HydrophobicContact CB-CG 4.46Å; E511-K513 HydrophobicContact CG-CG 3.86Å; E511-K513 WeakPolarHBondContact OE2-CE 3.48Å; E511-K513 IonicContact OE2-NZ 3.59Å; E511-K513 PolarHBondContact OE2-NZ 3.32Å; E511-S518 VanDerWaalsContact OE1-CB 3.31Å; E511-S518 WeakPolarHBondContact OE1-CB 3.28Å; E511-S518 PolarHBondContact OE1-OG 3Å; E511-F519 CarbonylContact C-O 3.58Å; E511-F519 WeakPolarHBondContact CA-O 3.45Å; E511-D551 PolarHBondContact N-O 3.19Å; E511-D551 PolarHBondContact O-N 3.08Å |
| 512 | L | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 118.4 | 163.6 | -48.9 | 178.1 | 0 | 0 | 0 | 108.3 | V491 L493 F498 F519 V521 H533 V548 Q549 A550 | V491-L512 HydrophobicContact CB-CD1 4.02Å; V491-L512 HydrophobicContact CG1-CD1 3.79Å; V491-L512 HydrophobicContact CG2-CD1 4.46Å; L493-L512 HydrophobicContact CD1-CD1 4.37Å; L493-L512 HydrophobicContact CD1-CD2 4Å; F498-L512 HydrophobicContact CE2-CD2 3.97Å; F498-L512 HydrophobicContact CZ-CD2 4.32Å; L512-F519 HydrophobicContact CB-CB 4.17Å; L512-F519 HydrophobicContact CD1-CD1 4.11Å; L512-F519 HydrophobicContact CG-CD1 4.31Å; L512-F519 PolarHBondContact N-O 3.08Å; L512-F519 PolarHBondContact O-N 3.25Å; L512-V521 HydrophobicContact CD1-CG2 4.31Å; L512-V521 HydrophobicContact CD2-CG2 4.26Å; L512-V521 HydrophobicContact CG-CG2 3.75Å; L512-H533 HydrophobicContact CD1-CB 4.17Å; L512-V548 HydrophobicContact CB-CB 4.46Å; L512-V548 HydrophobicContact CD2-CG2 4.5Å; L512-Q549 CarbonylContact C-O 3.59Å; L512-Q549 WeakPolarHBondContact CA-O 3.29Å; L512-A550 HydrophobicContact CD2-CB 3.54Å |
| 513 | K | 97.1 | Very high | 95.1 | Very high | 73 Ų | 73 | 40 Ų | 40 | 32% | 0.317 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 146.5 | -176.5 | -63.1 | 173.7 | -172.2 | 150.7 | 0 | 111 | E511 V548 Q549 D551 | E511-K513 HydrophobicContact CB-CG 4.46Å; E511-K513 HydrophobicContact CG-CG 3.86Å; E511-K513 WeakPolarHBondContact OE2-CE 3.48Å; E511-K513 IonicContact OE2-NZ 3.59Å; E511-K513 PolarHBondContact OE2-NZ 3.32Å; K513-V548 CarbonylContact O-C 3.59Å; K513-V548 WeakPolarHBondContact O-CA 3.27Å; K513-Q549 HydrophobicContact CB-CB 4.44Å; K513-Q549 PolarHBondContact N-O 2.73Å; K513-Q549 PolarHBondContact O-N 3.08Å; K513-D551 WeakPolarHBondContact CD-OD2 3.4Å; K513-D551 WeakPolarHBondContact CE-OD2 3.18Å; K513-D551 IonicContact NZ-OD2 2.69Å; K513-D551 PolarHBondContact NZ-OD2 3.36Å |
| 514 | G | 92.9 | Very high | 95.7 | Very high | 28 Ų | 28 | 37.5 Ų | 37.5 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | trans | -138.4 | -172.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | N516 F517 | G514-N516 PolarHBondContact O-N 2.94Å; G514-F517 VanDerWaalsContact CA-CZ 3.43Å; G514-F517 VanDerWaalsContact N-CE2 3.32Å; G514-F517 PolarHBondContact N-O 3.11Å | ||
| 515 | A | 86.6 | Confident | 96 | Very high | 100 Ų | 100 | 38.9 Ų | 38.9 | 83% | 0.826 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -58.5 | -33.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 516 | N | 90.1 | Very high | 95.6 | Very high | 144 Ų | 144 | 44.2 Ų | 44.2 | 77% | 0.77 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -137.1 | 15.3 | -174 | -65.8 | -45.2 | 0 | 0 | 0 | 113.7 | G514 G540 | G514-N516 PolarHBondContact O-N 2.94Å; N516-G540 WeakPolarHBondContact O-CA 3.27Å |
| 517 | F | 95.6 | Very high | 95 | Very high | 21 Ų | 21 | 45.2 Ų | 45.2 | 9% | 0.092 | 25% | 0.252 | C | S | . | . | trans | -142.4 | 156.5 | 178.5 | 68.1 | -101.3 | 0 | 0 | 0 | 111.5 | G514 L537 A539 S541 L542 V548 | G514-F517 VanDerWaalsContact CA-CZ 3.43Å; G514-F517 VanDerWaalsContact N-CE2 3.32Å; G514-F517 PolarHBondContact N-O 3.11Å; F517-L537 HydrophobicContact CB-CD1 4.26Å; F517-L537 HydrophobicContact CD2-CD1 4.44Å; F517-A539 WeakPolarHBondContact CA-O 3.24Å; F517-A539 VanDerWaalsContact CB-O 3.28Å; F517-A539 WeakPolarHBondContact CB-O 3.5Å; F517-S541 WeakPolarHBondContact CD1-O 3.33Å; F517-L542 HydrophobicContact CD1-CD1 4.17Å; F517-L542 HydrophobicContact CD2-CB 4.49Å; F517-L542 HydrophobicContact CD2-CD1 4.05Å; F517-L542 HydrophobicContact CE1-CD1 3.67Å; F517-L542 HydrophobicContact CE2-CD1 3.57Å; F517-L542 HydrophobicContact CG-CB 4.5Å; F517-L542 HydrophobicContact CG-CD1 4.38Å; F517-L542 HydrophobicContact CZ-CD1 3.38Å; F517-V548 HydrophobicContact CE2-CG1 4.19Å; F517-V548 HydrophobicContact CZ-CB 4.46Å; F517-V548 HydrophobicContact CZ-CG1 3.88Å | ||
| 518 | S | 97.1 | Very high | 94.2 | Very high | 26 Ų | 26 | 47.7 Ų | 47.7 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 123.9 | 174 | 155.6 | 0 | 0 | 0 | 0 | 108.2 | E511 L537 A538 A539 | E511-S518 VanDerWaalsContact OE1-CB 3.31Å; E511-S518 WeakPolarHBondContact OE1-CB 3.28Å; E511-S518 PolarHBondContact OE1-OG 3Å; S518-L537 WeakPolarHBondContact O-CD1 3.32Å; S518-A538 PolarHBondContact O-N 3.12Å; S518-A539 PolarHBondContact N-O 2.69Å; S518-A539 VanDerWaalsContact N-O 3.14Å; S518-A539 PolarHBondContact O-N 3.25Å |
| 519 | F | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 113.8 | 177.7 | -175.9 | -91.3 | 0 | 0 | 0 | 109 | I483 A489 V491 E511 L512 V521 G535 L537 | I483-F519 HydrophobicContact CD1-CD2 4.01Å; I483-F519 HydrophobicContact CD1-CE2 3.92Å; A489-F519 HydrophobicContact CB-CE2 4.16Å; V491-F519 HydrophobicContact CG2-CD1 4.11Å; V491-F519 HydrophobicContact CG2-CD2 4.14Å; V491-F519 HydrophobicContact CG2-CE1 3.79Å; V491-F519 HydrophobicContact CG2-CE2 3.83Å; V491-F519 HydrophobicContact CG2-CG 4.27Å; V491-F519 HydrophobicContact CG2-CZ 3.64Å; E511-F519 CarbonylContact C-O 3.58Å; E511-F519 WeakPolarHBondContact CA-O 3.45Å; L512-F519 HydrophobicContact CB-CB 4.17Å; L512-F519 HydrophobicContact CD1-CD1 4.11Å; L512-F519 HydrophobicContact CG-CD1 4.31Å; L512-F519 PolarHBondContact N-O 3.08Å; L512-F519 PolarHBondContact O-N 3.25Å; F519-V521 HydrophobicContact CD1-CG2 3.87Å; F519-V521 HydrophobicContact CE1-CG2 4.11Å; F519-V521 PolarHBondContact O-N 3.42Å; F519-G535 WeakPolarHBondContact CZ-O 3.27Å; F519-L537 HydrophobicContact CB-CD1 3.83Å; F519-L537 HydrophobicContact CD2-CB 3.96Å; F519-L537 HydrophobicContact CD2-CD1 3.94Å; F519-L537 HydrophobicContact CG-CD1 4.41Å |
| 520 | A | 98.2 | Very high | 93.1 | Very high | 39 Ų | 39 | 50.1 Ų | 50.1 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 115.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | G535 K536 | A520-G535 VanDerWaalsContact O-CA 3.24Å; A520-G535 WeakPolarHBondContact O-CA 3.44Å; A520-K536 PolarHBondContact N-O 3.5Å; A520-K536 PolarHBondContact O-N 3.35Å |
| 521 | V | 98.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.03 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 113.8 | 177.4 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | F498 K509 G510 L512 F519 D523 H533 | F498-V521 HydrophobicContact CD1-CB 4.4Å; F498-V521 HydrophobicContact CD1-CG1 3.91Å; F498-V521 HydrophobicContact CE1-CB 3.69Å; F498-V521 HydrophobicContact CE1-CG1 3.7Å; F498-V521 HydrophobicContact CE1-CG2 3.89Å; F498-V521 HydrophobicContact CZ-CB 4.31Å; F498-V521 HydrophobicContact CZ-CG2 4.08Å; K509-V521 WeakPolarHBondContact CA-O 3.49Å; K509-V521 WeakPolarHBondContact CB-O 3.48Å; G510-V521 PolarHBondContact N-O 3.2Å; G510-V521 VanDerWaalsContact N-O 3.11Å; G510-V521 PolarHBondContact O-N 3.12Å; L512-V521 HydrophobicContact CD1-CG2 4.31Å; L512-V521 HydrophobicContact CD2-CG2 4.26Å; L512-V521 HydrophobicContact CG-CG2 3.75Å; F519-V521 HydrophobicContact CD1-CG2 3.87Å; F519-V521 HydrophobicContact CE1-CG2 4.11Å; F519-V521 PolarHBondContact O-N 3.42Å; V521-D523 WeakPolarHBondContact CG1-O 3.35Å; V521-H533 HydrophobicContact CG1-CB 3.98Å; V521-H533 HydrophobicContact CG2-CB 4.02Å |
| 522 | E | 97 | Very high | 92.8 | Very high | 107 Ų | 107 | 46.9 Ų | 46.9 | 50% | 0.5 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -23.3 | -179.3 | -62.5 | -171.7 | 173.6 | 0 | 0 | 112.9 | K509 I534 | K509-E522 WeakPolarHBondContact CD-O 3.38Å; K509-E522 WeakPolarHBondContact CE-O 3.21Å; K509-E522 VanDerWaalsContact CG-O 3.27Å; K509-E522 WeakPolarHBondContact CG-O 3.48Å; K509-E522 PolarHBondContact NZ-O 3.01Å; E522-I534 PolarHBondContact N-O 3.3Å |
| 523 | D | 96.8 | Very high | 92.8 | Very high | 42 Ų | 42 | 46.9 Ų | 46.9 | 23% | 0.225 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 161.2 | 174.8 | -168.3 | 22.5 | 0 | 0 | 0 | 111.3 | D508 V521 Q525 I534 | D508-D523 CarbonylContact O-C 3.6Å; V521-D523 WeakPolarHBondContact CG1-O 3.35Å; D523-Q525 PolarHBondContact OD2-NE2 3.46Å; D523-I534 HydrophobicContact CB-CB 4.35Å; D523-I534 PolarHBondContact N-O 2.9Å; D523-I534 VanDerWaalsContact N-O 3.12Å; D523-I534 PolarHBondContact O-N 3.34Å |
| 524 | T | 97.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 123.4 | 177.8 | -52.8 | 0 | 0 | 0 | 0 | 110 | F498 Y499 A500 E501 G507 D508 I531 G532 | F498-T524 HydrophobicContact CB-CG2 3.89Å; F498-T524 WeakPolarHBondContact CD1-OG1 3.48Å; Y499-T524 WeakPolarHBondContact O-CB 3.5Å; A500-T524 CarbonylContact C-O 3.59Å; A500-T524 WeakPolarHBondContact CA-O 3.44Å; A500-T524 HydrophobicContact CB-CG2 4.03Å; E501-T524 PolarHBondContact N-O 3.48Å; G507-T524 WeakPolarHBondContact CA-O 3.34Å; D508-T524 PolarHBondContact O-N 3.49Å; D508-T524 PolarHBondContact O-OG1 3.01Å; T524-I531 HydrophobicContact CG2-CG2 3.37Å; T524-G532 WeakPolarHBondContact CA-O 3.47Å |
| 525 | Q | 92.7 | Very high | 93 | Very high | 49 Ų | 49 | 44.7 Ų | 44.7 | 23% | 0.229 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 156.8 | -172.5 | -66.6 | -68.1 | -20.1 | 0 | 0 | 111.8 | E501 D523 Y527 G532 I534 | E501-Q525 PolarHBondContact OE2-NE2 2.98Å; E501-Q525 VanDerWaalsContact OE2-NE2 3.16Å; D523-Q525 PolarHBondContact OD2-NE2 3.46Å; Q525-Y527 HydrophobicContact CB-CE2 4.06Å; Q525-G532 PolarHBondContact N-O 3.31Å; Q525-G532 PolarHBondContact O-N 3.47Å; Q525-I534 HydrophobicContact CB-CD1 4.03Å; Q525-I534 HydrophobicContact CG-CD1 3.57Å |
| 526 | K | 86.9 | Confident | 93.5 | Very high | 113 Ų | 113 | 43.9 Ų | 43.9 | 49% | 0.491 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 135.1 | 175.7 | -70.7 | -174.5 | 175.3 | 171.2 | 0 | 111.2 | A500 S502 | A500-K526 HydrophobicContact CB-CG 3.53Å; S502-K526 PolarHBondContact OG-NZ 2.96Å |
| 527 | Y | 83.1 | Confident | 93.8 | Very high | 36 Ų | 36 | 37 Ų | 37 | 14% | 0.141 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 80.6 | 171.2 | -63.9 | -90 | 0 | 0 | 0 | 108.3 | I450 V490 Q525 Q529 A530 | I450-Y527 HydrophobicContact CB-CD1 3.79Å; I450-Y527 HydrophobicContact CB-CE1 3.8Å; I450-Y527 HydrophobicContact CD1-CE1 4.16Å; I450-Y527 HydrophobicContact CG1-CE1 4.47Å; I450-Y527 HydrophobicContact CG2-CD1 4.1Å; I450-Y527 HydrophobicContact CG2-CE1 4.39Å; I450-Y527 WeakPolarHBondContact O-CD1 3.39Å; V490-Y527 HydrophobicContact CG1-CE2 3.78Å; Q525-Y527 HydrophobicContact CB-CE2 4.06Å; Y527-Q529 PolarHBondContact O-N 3.23Å; Y527-A530 PolarHBondContact N-O 3.04Å; Y527-A530 WeakPolarHBondContact O-CB 3.48Å; Y527-A530 PolarHBondContact O-N 3.49Å; Y527-A530 VanDerWaalsContact O-N 3.12Å |
| 528 | G | 79.5 | Confident | 93.8 | Very high | 52 Ų | 52 | 39.2 Ų | 39.2 | 54% | 0.536 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | -117.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 529 | Q | 83.2 | Confident | 93.6 | Very high | 135 Ų | 135 | 40.2 Ų | 40.2 | 63% | 0.631 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -5.3 | 176.9 | -60 | -63.8 | -29.3 | 0 | 0 | 113.2 | A455 S456 Y527 | A455-Q529 WeakPolarHBondContact CA-O 3.1Å; A455-Q529 HydrophobicContact CB-CB 3.86Å; S456-Q529 PolarHBondContact N-O 2.92Å; Y527-Q529 PolarHBondContact O-N 3.23Å |
| 530 | A | 90.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 150.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | V452 S454 V492 Y527 | V452-A530 HydrophobicContact CB-CB 3.68Å; V452-A530 HydrophobicContact CG1-CB 3.55Å; V452-A530 HydrophobicContact CG2-CB 4.15Å; S454-A530 WeakPolarHBondContact O-CB 3Å; V492-A530 HydrophobicContact CG1-CB 3.87Å; Y527-A530 PolarHBondContact N-O 3.04Å; Y527-A530 WeakPolarHBondContact O-CB 3.48Å; Y527-A530 PolarHBondContact O-N 3.49Å; Y527-A530 VanDerWaalsContact O-N 3.12Å |
| 531 | I | 94.3 | Very high | 93.3 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 113 | 171.1 | -64.8 | 171.2 | 0 | 0 | 0 | 108.2 | S456 F458 T496 A500 T524 | S456-I531 PolarHBondContact OG-N 3.22Å; F458-I531 HydrophobicContact CB-CD1 3.86Å; F458-I531 HydrophobicContact CD2-CD1 4.23Å; F458-I531 HydrophobicContact CG-CD1 4.46Å; T496-I531 HydrophobicContact CG2-CB 3.88Å; T496-I531 HydrophobicContact CG2-CD1 3.68Å; T496-I531 HydrophobicContact CG2-CG1 4.38Å; T496-I531 HydrophobicContact CG2-CG2 3.71Å; A500-I531 HydrophobicContact CB-CG1 4.16Å; A500-I531 HydrophobicContact CB-CG2 4.04Å; T524-I531 HydrophobicContact CG2-CG2 3.37Å |
| 532 | G | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 127.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T524 Q525 | T524-G532 WeakPolarHBondContact CA-O 3.47Å; Q525-G532 PolarHBondContact N-O 3.31Å; Q525-G532 PolarHBondContact O-N 3.47Å |
| 533 | H | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 108.7 | 177.1 | -48.5 | 73.7 | 0 | 0 | 0 | 107.6 | V490 V491 T496 F498 L512 V521 | V490-H533 WeakPolarHBondContact CA-O 3.21Å; V491-H533 HydrophobicContact CB-CB 4.35Å; V491-H533 PolarHBondContact N-O 3.2Å; V491-H533 PolarHBondContact O-N 2.88Å; V491-H533 PolarHBondContact O-ND1 3.06Å; T496-H533 WeakPolarHBondContact CB-NE2 3.31Å; T496-H533 PolarHBondContact OG1-NE2 3.4Å; F498-H533 AromaticContact CD2-CD2 3.92Å; F498-H533 AromaticContact CD2-NE2 3.97Å; F498-H533 AromaticContact CG-CD2 3.67Å; F498-H533 AromaticContact CG-NE2 3.93Å; L512-H533 HydrophobicContact CD1-CB 4.17Å; V521-H533 HydrophobicContact CG1-CB 3.98Å; V521-H533 HydrophobicContact CG2-CB 4.02Å |
| 534 | I | 96.8 | Very high | 93.2 | Very high | 52 Ų | 52 | 43.3 Ų | 43.3 | 27% | 0.267 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 130.7 | -176.5 | -51 | 177.7 | 0 | 0 | 0 | 108 | V490 E522 D523 Q525 | V490-I534 HydrophobicContact CG1-CG1 4.48Å; V490-I534 HydrophobicContact CG2-CG1 4.18Å; E522-I534 PolarHBondContact N-O 3.3Å; D523-I534 HydrophobicContact CB-CB 4.35Å; D523-I534 PolarHBondContact N-O 2.9Å; D523-I534 VanDerWaalsContact N-O 3.12Å; D523-I534 PolarHBondContact O-N 3.34Å; Q525-I534 HydrophobicContact CB-CD1 4.03Å; Q525-I534 HydrophobicContact CG-CD1 3.57Å |
| 535 | G | 96.5 | Very high | 93.1 | Very high | 4 Ų | 4 | 45 Ų | 45 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.2 | -155.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | E488 A489 F519 A520 | E488-G535 CarbonylContact C-O 3.43Å; E488-G535 VanDerWaalsContact CA-O 3.29Å; E488-G535 WeakPolarHBondContact CA-O 3.24Å; A489-G535 PolarHBondContact N-O 2.92Å; A489-G535 PolarHBondContact O-N 2.73Å; A489-G535 VanDerWaalsContact O-N 3.11Å; F519-G535 WeakPolarHBondContact CZ-O 3.27Å; A520-G535 VanDerWaalsContact O-CA 3.24Å; A520-G535 WeakPolarHBondContact O-CA 3.44Å |
| 536 | K | 97.2 | Very high | 93.3 | Very high | 83 Ų | 83 | 45.1 Ų | 45.1 | 36% | 0.361 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135 | -169.8 | -171.5 | 172 | -172.9 | 158.1 | 0 | 111.9 | G486 Q487 E488 A520 A538 | G486-K536 WeakPolarHBondContact O-CE 3.3Å; Q487-K536 WeakPolarHBondContact O-CA 3.39Å; E488-K536 HydrophobicContact CG-CB 4.19Å; E488-K536 HydrophobicContact CG-CD 4.29Å; E488-K536 HydrophobicContact CG-CG 4.18Å; A520-K536 PolarHBondContact N-O 3.5Å; A520-K536 PolarHBondContact O-N 3.35Å; K536-A538 PolarHBondContact O-N 3.31Å |
| 537 | L | 97.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 109.2 | 173 | -164.4 | 66.7 | 0 | 0 | 0 | 109.3 | I483 A485 G486 Q487 F517 S518 F519 L542 | I483-L537 HydrophobicContact CD1-CB 4.25Å; I483-L537 HydrophobicContact CD1-CD2 4.35Å; I483-L537 HydrophobicContact CG1-CD2 3.89Å; I483-L537 WeakPolarHBondContact O-CD2 3.29Å; A485-L537 CarbonylContact C-O 3.57Å; A485-L537 WeakPolarHBondContact CA-O 3.38Å; G486-L537 PolarHBondContact N-O 3.1Å; Q487-L537 PolarHBondContact O-N 3.28Å; F517-L537 HydrophobicContact CB-CD1 4.26Å; F517-L537 HydrophobicContact CD2-CD1 4.44Å; S518-L537 WeakPolarHBondContact O-CD1 3.32Å; F519-L537 HydrophobicContact CB-CD1 3.83Å; F519-L537 HydrophobicContact CD2-CB 3.96Å; F519-L537 HydrophobicContact CD2-CD1 3.94Å; F519-L537 HydrophobicContact CG-CD1 4.41Å; L537-L542 HydrophobicContact CD1-CB 4.17Å; L537-L542 HydrophobicContact CD2-CB 4.41Å |
| 538 | A | 94.9 | Very high | 94.4 | Very high | 66 Ų | 66 | 41.9 Ų | 41.9 | 55% | 0.545 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | -38.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | S518 K536 | S518-A538 PolarHBondContact O-N 3.12Å; K536-A538 PolarHBondContact O-N 3.31Å |
| 539 | A | 93.3 | Very high | 95.3 | Very high | 48 Ų | 48 | 43.2 Ų | 43.2 | 40% | 0.397 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 154.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F517 S518 | F517-A539 WeakPolarHBondContact CA-O 3.24Å; F517-A539 VanDerWaalsContact CB-O 3.28Å; F517-A539 WeakPolarHBondContact CB-O 3.5Å; S518-A539 PolarHBondContact N-O 2.69Å; S518-A539 VanDerWaalsContact N-O 3.14Å; S518-A539 PolarHBondContact O-N 3.25Å |
| 540 | G | 95.2 | Very high | 96 | Very high | 33 Ų | 33 | 36.8 Ų | 36.8 | 34% | 0.34 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 82.2 | -153.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A485 N516 | A485-G540 PolarHBondContact N-O 2.97Å; N516-G540 WeakPolarHBondContact O-CA 3.27Å |
| 541 | S | 95.5 | Very high | 96.4 | Very high | 50 Ų | 50 | 37.8 Ų | 37.8 | 35% | 0.35 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 139.8 | 172.2 | 64.6 | 0 | 0 | 0 | 0 | 109.3 | I483 F517 | I483-S541 CarbonylContact O-C 3.58Å; I483-S541 VanDerWaalsContact O-CA 3.25Å; I483-S541 WeakPolarHBondContact O-CA 3.45Å; F517-S541 WeakPolarHBondContact CD1-O 3.33Å |
| 542 | L | 96.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.4 | 178.2 | 179.3 | 63.1 | 0 | 0 | 0 | 109.3 | V470 L473 A482 I483 V491 F517 L537 D546 V548 | V470-L542 HydrophobicContact CG2-CD1 3.79Å; V470-L542 HydrophobicContact CG2-CD2 4.34Å; V470-L542 HydrophobicContact CG2-CG 4.22Å; L473-L542 WeakPolarHBondContact CD1-O 3.34Å; L473-L542 HydrophobicContact CD2-CD2 4.01Å; L473-L542 HydrophobicContact CD2-CG 4.33Å; A482-L542 CarbonylContact C-O 3.49Å; A482-L542 VanDerWaalsContact CA-O 3.24Å; A482-L542 WeakPolarHBondContact CA-O 3.48Å; I483-L542 HydrophobicContact CD1-CB 4.3Å; I483-L542 HydrophobicContact CD1-CD2 4.22Å; I483-L542 HydrophobicContact CG1-CB 3.83Å; I483-L542 PolarHBondContact N-O 3.22Å; I483-L542 PolarHBondContact O-N 3.25Å; V491-L542 HydrophobicContact CG1-CD2 4.05Å; V491-L542 HydrophobicContact CG2-CD2 3.87Å; F517-L542 HydrophobicContact CD1-CD1 4.17Å; F517-L542 HydrophobicContact CD2-CB 4.49Å; F517-L542 HydrophobicContact CD2-CD1 4.05Å; F517-L542 HydrophobicContact CE1-CD1 3.67Å; F517-L542 HydrophobicContact CE2-CD1 3.57Å; F517-L542 HydrophobicContact CG-CB 4.5Å; F517-L542 HydrophobicContact CG-CD1 4.38Å; F517-L542 HydrophobicContact CZ-CD1 3.38Å; L537-L542 HydrophobicContact CD1-CB 4.17Å; L537-L542 HydrophobicContact CD2-CB 4.41Å; L542-D546 HydrophobicContact CD1-CB 4Å; L542-V548 HydrophobicContact CD1-CG1 4.1Å |
| 543 | K | 96.9 | Very high | 96.7 | Very high | 112 Ų | 112 | 41 Ų | 41 | 49% | 0.487 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 154.7 | -178.5 | -57.4 | -173.7 | 179.5 | 175.8 | 0 | 112.2 | D481 A482 G545 D546 | D481-K543 WeakPolarHBondContact O-CA 3.37Å; A482-K543 HydrophobicContact CB-CG 3.81Å; K543-G545 PolarHBondContact O-N 2.83Å; K543-D546 PolarHBondContact N-OD2 3.03Å; K543-D546 WeakPolarHBondContact O-CB 3.42Å; K543-D546 PolarHBondContact O-N 3.41Å; K543-D546 VanDerWaalsContact O-N 3.15Å |
| 544 | V | 96 | Very high | 96.7 | Very high | 62 Ų | 62 | 47.3 Ų | 47.3 | 38% | 0.376 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 129.9 | 168.1 | 178.3 | 0 | 0 | 0 | 0 | 109.2 | L473 D481 | L473-V544 HydrophobicContact CB-CG2 4.28Å; L473-V544 HydrophobicContact CD1-CG2 4.1Å; L473-V544 HydrophobicContact CG-CG2 3.97Å; D481-V544 PolarHBondContact O-N 2.95Å |
| 545 | G | 95.4 | Very high | 96.7 | Very high | 35 Ų | 35 | 47.5 Ų | 47.5 | 36% | 0.361 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | -11.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K469 V470 K543 | K469-G545 WeakPolarHBondContact CE-O 3.36Å; V470-G545 WeakPolarHBondContact O-CA 3.48Å; V470-G545 PolarHBondContact O-N 3.45Å; K543-G545 PolarHBondContact O-N 2.83Å |
| 546 | D | 96.3 | Very high | 96.8 | Very high | 53 Ų | 53 | 48.1 Ų | 48.1 | 28% | 0.283 | 30% | 0.297 | S | S | . | . | trans | -65.1 | 144.9 | 176.7 | -74 | -16.5 | 0 | 0 | 0 | 111.4 | K469 V470 L542 K543 | K469-D546 WeakPolarHBondContact CA-O 3.37Å; V470-D546 HydrophobicContact CG2-CB 4.44Å; V470-D546 PolarHBondContact N-O 3.41Å; L542-D546 HydrophobicContact CD1-CB 4Å; K543-D546 PolarHBondContact N-OD2 3.03Å; K543-D546 WeakPolarHBondContact O-CB 3.42Å; K543-D546 PolarHBondContact O-N 3.41Å; K543-D546 VanDerWaalsContact O-N 3.15Å | ||
| 547 | A | 96.6 | Very high | 96.8 | Very high | 78 Ų | 78 | 44.3 Ų | 44.3 | 65% | 0.645 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 136.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | G468 | G468-A547 WeakPolarHBondContact O-CA 3.45Å |
| 548 | V | 97.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 141.9 | 179.7 | -44.7 | 0 | 0 | 0 | 0 | 109.7 | N467 G468 V470 L493 L512 K513 F517 L542 | N467-V548 CarbonylContact C-O 3.57Å; N467-V548 VanDerWaalsContact CA-O 3.27Å; N467-V548 WeakPolarHBondContact CA-O 3.01Å; G468-V548 PolarHBondContact N-O 3.2Å; G468-V548 PolarHBondContact O-N 3.47Å; V470-V548 HydrophobicContact CG2-CG1 3.56Å; L493-V548 HydrophobicContact CD1-CG2 3.61Å; L493-V548 HydrophobicContact CD2-CG1 4.39Å; L493-V548 HydrophobicContact CD2-CG2 3.58Å; L493-V548 HydrophobicContact CG-CG2 4.26Å; L512-V548 HydrophobicContact CB-CB 4.46Å; L512-V548 HydrophobicContact CD2-CG2 4.5Å; K513-V548 CarbonylContact O-C 3.59Å; K513-V548 WeakPolarHBondContact O-CA 3.27Å; F517-V548 HydrophobicContact CE2-CG1 4.19Å; F517-V548 HydrophobicContact CZ-CB 4.46Å; F517-V548 HydrophobicContact CZ-CG1 3.88Å; L542-V548 HydrophobicContact CD1-CG1 4.1Å |
| 549 | Q | 98.1 | Very high | 97 | Very high | 80 Ų | 80 | 47.5 Ų | 47.5 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 118.5 | 160.6 | 178 | 177.9 | -11.8 | 0 | 0 | 107.7 | L512 K513 D551 | L512-Q549 CarbonylContact C-O 3.59Å; L512-Q549 WeakPolarHBondContact CA-O 3.29Å; K513-Q549 HydrophobicContact CB-CB 4.44Å; K513-Q549 PolarHBondContact N-O 2.73Å; K513-Q549 PolarHBondContact O-N 3.08Å; Q549-D551 WeakPolarHBondContact CG-OD1 3.47Å; Q549-D551 PolarHBondContact NE2-OD1 2.93Å; Q549-D551 PolarHBondContact NE2-OD2 3.17Å |
| 550 | A | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 112.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | E465 L466 L493 P497 F498 L512 | E465-A550 VanDerWaalsContact CA-O 3.29Å; E465-A550 WeakPolarHBondContact CA-O 3.32Å; L466-A550 PolarHBondContact N-O 2.62Å; L466-A550 PolarHBondContact O-N 3.39Å; L493-A550 HydrophobicContact CD1-CB 4.16Å; P497-A550 HydrophobicContact CG-CB 3.94Å; P497-A550 WeakPolarHBondContact CG-O 3.5Å; F498-A550 HydrophobicContact CD2-CB 4.27Å; F498-A550 HydrophobicContact CE2-CB 3.91Å; L512-A550 HydrophobicContact CD2-CB 3.54Å |
| 551 | D | 98.2 | Very high | 97.4 | Very high | 22 Ų | 22 | 46.8 Ų | 46.8 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 114.4 | -178.2 | -61.8 | -33 | 0 | 0 | 0 | 110.5 | F498 G510 E511 K513 Q549 | F498-D551 WeakPolarHBondContact CZ-O 3.12Å; G510-D551 CarbonylContact C-O 3.59Å; G510-D551 WeakPolarHBondContact CA-O 3.35Å; E511-D551 PolarHBondContact N-O 3.19Å; E511-D551 PolarHBondContact O-N 3.08Å; K513-D551 WeakPolarHBondContact CD-OD2 3.4Å; K513-D551 WeakPolarHBondContact CE-OD2 3.18Å; K513-D551 IonicContact NZ-OD2 2.69Å; K513-D551 PolarHBondContact NZ-OD2 3.36Å; Q549-D551 WeakPolarHBondContact CG-OD1 3.47Å; Q549-D551 PolarHBondContact NE2-OD1 2.93Å; Q549-D551 PolarHBondContact NE2-OD2 3.17Å |
| 552 | V | 98.5 | Very high | 97.5 | Very high | 13 Ų | 13 | 45.9 Ų | 45.9 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 145.7 | 174.8 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | L464 P497 F498 D508 E554 R557 | L464-V552 PolarHBondContact O-N 2.72Å; P497-V552 HydrophobicContact CB-CG2 4.08Å; P497-V552 HydrophobicContact CG-CG2 4.06Å; F498-V552 HydrophobicContact CB-CG2 4.46Å; F498-V552 HydrophobicContact CD1-CG2 4.16Å; F498-V552 HydrophobicContact CD2-CG2 3.61Å; F498-V552 HydrophobicContact CE1-CG2 4.31Å; F498-V552 HydrophobicContact CE2-CG2 3.76Å; F498-V552 HydrophobicContact CG-CG2 3.82Å; F498-V552 HydrophobicContact CZ-CG2 4.13Å; D508-V552 HydrophobicContact CB-CG1 4.16Å; V552-E554 VanDerWaalsContact C-N 3.34Å; V552-E554 PolarHBondContact O-N 3.29Å; V552-R557 HydrophobicContact CG1-CB 4.01Å |
| 553 | D | 98.4 | Very high | 97.6 | Very high | 67 Ų | 67 | 46 Ų | 46 | 36% | 0.358 | 26% | 0.257 | S | S | . | . | trans | -63.8 | 93.5 | 166 | -179.1 | -17.6 | 0 | 0 | 0 | 110 | K509 A555 R556 R557 | K509-D553 WeakPolarHBondContact O-CB 3.39Å; K509-D553 PolarHBondContact O-N 3.38Å; D553-A555 VanDerWaalsContact C-N 3.34Å; D553-A555 PolarHBondContact O-N 2.93Å; D553-A555 PolarHBondContact OD1-N 3.03Å; D553-R556 HydrophobicContact CB-CB 3.92Å; D553-R556 PolarHBondContact O-N 3.4Å; D553-R556 WeakPolarHBondContact OD1-CB 3.32Å; D553-R556 PolarHBondContact OD1-N 2.75Å; D553-R556 WeakPolarHBondContact OD2-CB 3.48Å; D553-R557 WeakPolarHBondContact O-CB 3.45Å; D553-R557 PolarHBondContact O-N 2.93Å | ||
| 554 | E | 97.8 | Very high | 97.7 | Very high | 134 Ų | 134 | 41 Ų | 41 | 63% | 0.626 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -57 | -44.4 | -176.6 | 172.7 | 170.9 | -160.6 | 0 | 0 | 112.4 | L464 V552 R556 R557 A558 | L464-E554 HydrophobicContact CD1-CB 3.79Å; L464-E554 HydrophobicContact CD1-CG 3.51Å; V552-E554 VanDerWaalsContact C-N 3.34Å; V552-E554 PolarHBondContact O-N 3.29Å; E554-R556 VanDerWaalsContact C-N 3.34Å; E554-R556 PolarHBondContact O-N 3.1Å; E554-R557 PolarHBondContact O-N 2.7Å; E554-A558 WeakPolarHBondContact O-CB 3.31Å; E554-A558 PolarHBondContact O-N 3.38Å |
| 555 | A | 97.5 | Very high | 97.8 | Very high | 55 Ų | 55 | 38.1 Ų | 38.1 | 46% | 0.455 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.5 | -41.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | D553 R559 | D553-A555 VanDerWaalsContact C-N 3.34Å; D553-A555 PolarHBondContact O-N 2.93Å; D553-A555 PolarHBondContact OD1-N 3.03Å; A555-R559 PolarHBondContact O-N 3.39Å; A555-R559 PolarHBondContact O-NH1 3.38Å |
| 556 | R | 97.8 | Very high | 97.9 | Very high | 18 Ų | 18 | 36.4 Ų | 36.4 | 7% | 0.068 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.1 | -47.1 | 174.5 | -172.7 | 179.8 | 175.1 | -99.2 | 3.3 | 111.7 | G507 D553 E554 A558 R559 I560 D591 | G507-R556 PolarHBondContact O-NH1 3.34Å; D553-R556 HydrophobicContact CB-CB 3.92Å; D553-R556 PolarHBondContact O-N 3.4Å; D553-R556 WeakPolarHBondContact OD1-CB 3.32Å; D553-R556 PolarHBondContact OD1-N 2.75Å; D553-R556 WeakPolarHBondContact OD2-CB 3.48Å; E554-R556 VanDerWaalsContact C-N 3.34Å; E554-R556 PolarHBondContact O-N 3.1Å; R556-A558 VanDerWaalsContact C-N 3.27Å; R556-A558 PolarHBondContact O-N 3.45Å; R556-R559 PolarHBondContact O-N 3.42Å; R556-I560 HydrophobicContact CG-CD1 4.11Å; R556-I560 WeakPolarHBondContact O-CG1 3.38Å; R556-I560 PolarHBondContact O-N 3.36Å; R556-I560 VanDerWaalsContact O-N 3.08Å; R556-D591 HydrophobicContact CG-CB 3.58Å; R556-D591 IonicContact CZ-OD1 3.83Å; R556-D591 IonicContact NE-OD1 3.9Å; R556-D591 PolarHBondContact NE-OD1 3.17Å; R556-D591 IonicContact NH2-OD1 2.81Å |
| 557 | R | 98 | Very high | 98 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 1% | 0.011 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.8 | -42.1 | 176.3 | 173.4 | 68.5 | 78.9 | 70.2 | 8 | 111.4 | G460 L464 P497 D508 V552 D553 E554 R559 I560 R561 | G460-R557 PolarHBondContact O-NH1 3.49Å; L464-R557 HydrophobicContact CD2-CG 3.9Å; L464-R557 VanDerWaalsContact CD2-NH1 3.34Å; P497-R557 PolarHBondContact O-NH2 3.08Å; D508-R557 IonicContact OD1-CZ 3.73Å; D508-R557 IonicContact OD1-NE 3.81Å; D508-R557 PolarHBondContact OD1-NE 3.15Å; D508-R557 IonicContact OD1-NH2 3.93Å; D508-R557 IonicContact OD2-CZ 3.9Å; D508-R557 IonicContact OD2-NE 3.2Å; D508-R557 PolarHBondContact OD2-NE 3.32Å; D508-R557 IonicContact OD2-NH2 2.75Å; D508-R557 PolarHBondContact OD2-NH2 2.92Å; V552-R557 HydrophobicContact CG1-CB 4.01Å; D553-R557 WeakPolarHBondContact O-CB 3.45Å; D553-R557 PolarHBondContact O-N 2.93Å; E554-R557 PolarHBondContact O-N 2.7Å; R557-R559 PolarHBondContact O-N 2.93Å; R557-I560 PolarHBondContact O-N 3.35Å; R557-R561 HydrophobicContact CG-CG 4.34Å; R557-R561 VanDerWaalsContact O-CG 3.31Å; R557-R561 WeakPolarHBondContact O-CG 3.16Å; R557-R561 PolarHBondContact O-N 3.14Å |
| 558 | A | 97.5 | Very high | 98 | Very high | 46 Ų | 46 | 30.9 Ų | 30.9 | 38% | 0.38 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -58.6 | -49.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E554 R556 I560 R561 L562 | E554-A558 WeakPolarHBondContact O-CB 3.31Å; E554-A558 PolarHBondContact O-N 3.38Å; R556-A558 VanDerWaalsContact C-N 3.27Å; R556-A558 PolarHBondContact O-N 3.45Å; A558-I560 VanDerWaalsContact C-N 3.34Å; A558-I560 PolarHBondContact O-N 3.01Å; A558-R561 WeakPolarHBondContact O-CB 3.22Å; A558-R561 PolarHBondContact O-N 2.79Å; A558-L562 WeakPolarHBondContact O-CG 3.31Å; A558-L562 PolarHBondContact O-N 3.44Å; A558-L562 VanDerWaalsContact O-N 3.08Å |
| 559 | R | 98.2 | Very high | 98.1 | Very high | 86 Ų | 86 | 30.8 Ų | 30.8 | 33% | 0.325 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.6 | -40.5 | 177.1 | -68 | -172 | -64 | -82.2 | -0.7 | 112.8 | A555 R556 R557 L562 N563 D591 | A555-R559 PolarHBondContact O-N 3.39Å; A555-R559 PolarHBondContact O-NH1 3.38Å; R556-R559 PolarHBondContact O-N 3.42Å; R557-R559 PolarHBondContact O-N 2.93Å; R559-L562 PolarHBondContact O-N 3.13Å; R559-N563 PolarHBondContact O-N 3.03Å; R559-N563 VanDerWaalsContact O-N 3.11Å; R559-D591 HydrophobicContact CB-CB 4.04Å; R559-D591 WeakPolarHBondContact CB-O 3.48Å; R559-D591 WeakPolarHBondContact CD-O 3.46Å; R559-D591 PolarHBondContact NE-O 3.21Å; R559-D591 IonicContact NH2-OD2 3.68Å |
| 560 | I | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 175 | -67.6 | 167.1 | 0 | 0 | 0 | 110.7 | Q505 V506 R556 R557 A558 L562 N563 H564 V589 D591 | Q505-I560 HydrophobicContact CG-CG2 3.49Å; Q505-I560 VanDerWaalsContact CG-CG2 3.49Å; V506-I560 HydrophobicContact CG2-CD1 3.86Å; V506-I560 HydrophobicContact CG2-CG1 4.42Å; R556-I560 HydrophobicContact CG-CD1 4.11Å; R556-I560 WeakPolarHBondContact O-CG1 3.38Å; R556-I560 PolarHBondContact O-N 3.36Å; R556-I560 VanDerWaalsContact O-N 3.08Å; R557-I560 PolarHBondContact O-N 3.35Å; A558-I560 VanDerWaalsContact C-N 3.34Å; A558-I560 PolarHBondContact O-N 3.01Å; I560-L562 VanDerWaalsContact C-N 3.29Å; I560-L562 PolarHBondContact O-N 3.11Å; I560-N563 PolarHBondContact O-N 3.36Å; I560-H564 WeakPolarHBondContact O-CB 3.39Å; I560-H564 PolarHBondContact O-N 2.81Å; I560-V589 HydrophobicContact CG2-CG1 4.33Å; I560-D591 HydrophobicContact CD1-CB 4.4Å; I560-D591 HydrophobicContact CG1-CB 3.88Å |
| 561 | R | 98 | Very high | 98 | Very high | 66 Ų | 66 | 27.6 Ų | 27.6 | 25% | 0.249 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.7 | -38.6 | 178 | -74.1 | 174.1 | 72.7 | 179.7 | 2.4 | 112.2 | R557 A558 S565 T669 H670 A671 | R557-R561 HydrophobicContact CG-CG 4.34Å; R557-R561 VanDerWaalsContact O-CG 3.31Å; R557-R561 WeakPolarHBondContact O-CG 3.16Å; R557-R561 PolarHBondContact O-N 3.14Å; A558-R561 WeakPolarHBondContact O-CB 3.22Å; A558-R561 PolarHBondContact O-N 2.79Å; R561-S565 WeakPolarHBondContact O-CB 3.38Å; R561-S565 PolarHBondContact O-N 3.24Å; R561-S565 PolarHBondContact O-OG 3.03Å; R561-T669 WeakPolarHBondContact CG-OG1 3.27Å; R561-H670 PolarHBondContact NE-O 2.7Å; R561-H670 PolarHBondContact NH2-O 2.73Å; R561-A671 PolarHBondContact O-N 2.81Å |
| 562 | L | 98.5 | Very high | 97.9 | Very high | 32 Ų | 32 | 27 Ų | 27 | 17% | 0.168 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.4 | -50.8 | 176.2 | -56.9 | -167.5 | 0 | 0 | 0 | 111.1 | A558 R559 I560 H564 S565 A566 A671 D676 T699 | A558-L562 WeakPolarHBondContact O-CG 3.31Å; A558-L562 PolarHBondContact O-N 3.44Å; A558-L562 VanDerWaalsContact O-N 3.08Å; R559-L562 PolarHBondContact O-N 3.13Å; I560-L562 VanDerWaalsContact C-N 3.29Å; I560-L562 PolarHBondContact O-N 3.11Å; L562-H564 VanDerWaalsContact C-N 3.29Å; L562-H564 PolarHBondContact O-N 2.78Å; L562-S565 PolarHBondContact O-N 3.19Å; L562-A566 WeakPolarHBondContact O-CB 3.36Å; L562-A566 PolarHBondContact O-N 3.39Å; L562-A671 HydrophobicContact CD2-CB 3.97Å; L562-D676 HydrophobicContact CD2-CB 4.23Å; L562-D676 VanDerWaalsContact CD2-O 3.24Å; L562-D676 WeakPolarHBondContact CD2-O 3.38Å; L562-T699 VanDerWaalsContact CB-OG1 3.3Å; L562-T699 WeakPolarHBondContact CB-OG1 3.28Å |
| 563 | N | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.5 | -38.2 | 178.3 | -78.2 | -19.8 | 0 | 0 | 0 | 111.6 | R559 I560 T567 V589 N590 V593 L594 T699 | R559-N563 PolarHBondContact O-N 3.03Å; R559-N563 VanDerWaalsContact O-N 3.11Å; I560-N563 PolarHBondContact O-N 3.36Å; N563-T567 PolarHBondContact O-N 3.43Å; N563-T567 PolarHBondContact O-OG1 3.31Å; N563-V589 HydrophobicContact CB-CG1 3.79Å; N563-N590 PolarHBondContact ND2-O 3.44Å; N563-V593 PolarHBondContact ND2-N 3.48Å; N563-L594 HydrophobicContact CB-CB 4.1Å; N563-L594 HydrophobicContact CB-CD2 4.36Å; N563-L594 VanDerWaalsContact O-CD2 3.27Å; N563-L594 WeakPolarHBondContact O-CD2 3.47Å; N563-T699 WeakPolarHBondContact OD1-CB 3.39Å; N563-T699 WeakPolarHBondContact OD1-CG2 3.46Å; N563-T699 PolarHBondContact OD1-N 2.84Å; N563-T699 PolarHBondContact OD1-OG1 3.31Å |
| 564 | H | 98.3 | Very high | 97.9 | Very high | 7 Ų | 7 | 23.2 Ų | 23.2 | 3% | 0.032 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.3 | -48.8 | 177.5 | -155.7 | 162.5 | 0 | 0 | 0 | 111.3 | Q505 I560 L562 A566 T567 H568 V589 T669 H670 | Q505-H564 PolarHBondContact OE1-ND1 3.08Å; I560-H564 WeakPolarHBondContact O-CB 3.39Å; I560-H564 PolarHBondContact O-N 2.81Å; L562-H564 VanDerWaalsContact C-N 3.29Å; L562-H564 PolarHBondContact O-N 2.78Å; H564-A566 VanDerWaalsContact C-N 3.28Å; H564-A566 PolarHBondContact O-N 2.88Å; H564-T567 VanDerWaalsContact O-CB 3.29Å; H564-T567 WeakPolarHBondContact O-CB 3.18Å; H564-T567 PolarHBondContact O-N 3.3Å; H564-H568 AromaticContact CD2-NE2 3.64Å; H564-H568 AromaticContact NE2-NE2 3.63Å; H564-H568 PolarHBondContact O-CD2 3.36Å; H564-H568 PolarHBondContact O-N 3.26Å; H564-V589 HydrophobicContact CB-CG1 3.78Å; H564-T669 WeakPolarHBondContact CB-O 3.34Å; H564-T669 PolarHBondContact ND1-O 2.93Å; H564-H670 AromaticContact CD2-CE1 3.44Å; H564-H670 PolarHBondContact CD2-CE1 2.99Å; H564-H670 VanDerWaalsContact CD2-CE1 3.44Å; H564-H670 AromaticContact CE1-CE1 3.77Å; H564-H670 AromaticContact CG-CE1 3.45Å; H564-H670 VanDerWaalsContact CG-CE1 3.45Å; H564-H670 AromaticContact CG-ND1 3.78Å; H564-H670 AromaticContact ND1-CE1 3.64Å; H564-H670 AromaticContact NE2-CE1 3.64Å |
| 565 | S | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.6 | -40.8 | 178.3 | -68.3 | 0 | 0 | 0 | 0 | 112.2 | R561 L562 T567 H568 L569 M658 H670 A671 | R561-S565 WeakPolarHBondContact O-CB 3.38Å; R561-S565 PolarHBondContact O-N 3.24Å; R561-S565 PolarHBondContact O-OG 3.03Å; L562-S565 PolarHBondContact O-N 3.19Å; S565-T567 VanDerWaalsContact C-N 3.27Å; S565-T567 PolarHBondContact O-N 2.99Å; S565-H568 PolarHBondContact O-N 3.3Å; S565-L569 PolarHBondContact O-N 3.38Å; S565-M658 WeakPolarHBondContact O-CE 3.36Å; S565-H670 WeakPolarHBondContact OG-CA 3.47Å; S565-H670 WeakPolarHBondContact OG-CB 3.26Å; S565-A671 PolarHBondContact OG-N 2.84Å |
| 566 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65 | -29.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | L562 H564 H568 L569 M570 L594 I677 F680 T699 | L562-A566 WeakPolarHBondContact O-CB 3.36Å; L562-A566 PolarHBondContact O-N 3.39Å; H564-A566 VanDerWaalsContact C-N 3.28Å; H564-A566 PolarHBondContact O-N 2.88Å; A566-H568 VanDerWaalsContact C-N 3.33Å; A566-H568 PolarHBondContact O-N 2.7Å; A566-L569 PolarHBondContact O-N 3.22Å; A566-M570 VanDerWaalsContact O-CB 3.25Å; A566-M570 WeakPolarHBondContact O-CB 3.45Å; A566-M570 PolarHBondContact O-N 2.69Å; A566-L594 HydrophobicContact CB-CD2 3.65Å; A566-I677 HydrophobicContact CB-CD1 4.33Å; A566-I677 HydrophobicContact CB-CG2 4.04Å; A566-F680 HydrophobicContact CB-CD2 3.81Å; A566-F680 HydrophobicContact CB-CE2 4.28Å; A566-T699 HydrophobicContact CB-CG2 3.43Å; A566-T699 VanDerWaalsContact CB-CG2 3.43Å |
| 567 | T | 98 | Very high | 97.7 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 3% | 0.025 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 175.5 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | N563 H564 S565 M570 H571 L594 F596 | N563-T567 PolarHBondContact O-N 3.43Å; N563-T567 PolarHBondContact O-OG1 3.31Å; H564-T567 VanDerWaalsContact O-CB 3.29Å; H564-T567 WeakPolarHBondContact O-CB 3.18Å; H564-T567 PolarHBondContact O-N 3.3Å; S565-T567 VanDerWaalsContact C-N 3.27Å; S565-T567 PolarHBondContact O-N 2.99Å; T567-M570 PolarHBondContact O-N 3.42Å; T567-H571 WeakPolarHBondContact O-CB 3.28Å; T567-H571 PolarHBondContact O-N 3.22Å; T567-L594 WeakPolarHBondContact OG1-CB 3.32Å; T567-F596 HydrophobicContact CG2-CD2 3.65Å; T567-F596 HydrophobicContact CG2-CE2 4.1Å; T567-F596 HydrophobicContact CG2-CG 4.46Å |
| 568 | H | 97 | Very high | 97.6 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 5% | 0.046 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.6 | -44.2 | 177 | -66.9 | -69.9 | 0 | 0 | 0 | 112.6 | H564 S565 A566 M570 H571 A572 L656 M658 E664 C666 H670 | H564-H568 AromaticContact CD2-NE2 3.64Å; H564-H568 AromaticContact NE2-NE2 3.63Å; H564-H568 PolarHBondContact O-CD2 3.36Å; H564-H568 PolarHBondContact O-N 3.26Å; S565-H568 PolarHBondContact O-N 3.3Å; A566-H568 VanDerWaalsContact C-N 3.33Å; A566-H568 PolarHBondContact O-N 2.7Å; H568-M570 VanDerWaalsContact C-N 3.3Å; H568-M570 PolarHBondContact O-N 3.16Å; H568-H571 PolarHBondContact O-N 3.11Å; H568-A572 PolarHBondContact O-N 3.09Å; H568-L656 WeakPolarHBondContact CD2-CD2 3.29Å; H568-L656 WeakPolarHBondContact NE2-CD2 3.34Å; H568-M658 HydrophobicContact CB-CE 3.95Å; H568-E664 IonicContact CE1-OE2 3.76Å; H568-E664 PolarHBondContact CE1-OE2 2.79Å; H568-E664 IonicContact CG-OE2 2.78Å; H568-E664 IonicContact ND1-OE1 3.79Å; H568-E664 IonicContact ND1-OE2 3.22Å; H568-E664 PolarHBondContact ND1-OE2 2.91Å; H568-C666 PolarHBondContact NE2-SG 2.91Å; H568-C666 VanDerWaalsContact NE2-SG 3.39Å; H568-H670 AromaticContact CD2-CE1 3.43Å; H568-H670 PolarHBondContact CD2-CE1 3.22Å; H568-H670 VanDerWaalsContact CD2-CE1 3.43Å; H568-H670 AromaticContact CD2-ND1 3.89Å; H568-H670 AromaticContact NE2-CE1 3.19Å; H568-H670 PolarHBondContact NE2-CE1 2.99Å; H568-H670 AromaticContact NE2-NE2 3.86Å |
| 569 | L | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60 | -42.7 | 174.8 | -66.4 | -179.1 | 0 | 0 | 0 | 111.5 | S565 A566 A572 A573 V616 Q619 I620 M658 F661 T674 I677 | S565-L569 PolarHBondContact O-N 3.38Å; A566-L569 PolarHBondContact O-N 3.22Å; L569-A572 PolarHBondContact O-N 2.99Å; L569-A573 VanDerWaalsContact O-CB 3.3Å; L569-A573 WeakPolarHBondContact O-CB 3.45Å; L569-A573 PolarHBondContact O-N 3.44Å; L569-V616 HydrophobicContact CB-CG1 3.92Å; L569-V616 HydrophobicContact CB-CG2 4.33Å; L569-V616 HydrophobicContact CD1-CG1 4.36Å; L569-Q619 HydrophobicContact CD1-CB 4.3Å; L569-Q619 HydrophobicContact CD2-CB 4.05Å; L569-I620 HydrophobicContact CD1-CG1 3.85Å; L569-M658 HydrophobicContact CD1-SD 4.4Å; L569-M658 HydrophobicContact CD2-CB 4.11Å; L569-M658 HydrophobicContact CD2-SD 3.63Å; L569-M658 HydrophobicContact CG-SD 3.72Å; L569-F661 HydrophobicContact CD2-CD1 3.79Å; L569-F661 HydrophobicContact CD2-CE1 4.27Å; L569-F661 WeakPolarHBondContact O-CE1 3.33Å; L569-T674 HydrophobicContact CD1-CG2 4.2Å; L569-T674 HydrophobicContact CD2-CG2 4.43Å; L569-I677 HydrophobicContact CD1-CD1 3.76Å |
| 570 | M | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.2 | -41.8 | 177.3 | -179.1 | -176 | 65.7 | 0 | 0 | 111.6 | A566 T567 H568 A573 L574 L594 F596 V612 V616 F680 I695 | A566-M570 VanDerWaalsContact O-CB 3.25Å; A566-M570 WeakPolarHBondContact O-CB 3.45Å; A566-M570 PolarHBondContact O-N 2.69Å; T567-M570 PolarHBondContact O-N 3.42Å; H568-M570 VanDerWaalsContact C-N 3.3Å; H568-M570 PolarHBondContact O-N 3.16Å; M570-A573 PolarHBondContact O-N 2.88Å; M570-L574 HydrophobicContact CG-CD1 4.03Å; M570-L574 HydrophobicContact CG-CG 4.36Å; M570-L574 WeakPolarHBondContact O-CB 3.44Å; M570-L574 VanDerWaalsContact O-CG 3.3Å; M570-L574 WeakPolarHBondContact O-CG 3.45Å; M570-L574 PolarHBondContact O-N 3.04Å; M570-L594 HydrophobicContact CE-CD1 3.37Å; M570-L594 HydrophobicContact SD-CD1 3.87Å; M570-F596 HydrophobicContact CE-CB 3.19Å; M570-F596 HydrophobicContact CE-CD1 3.98Å; M570-F596 HydrophobicContact CE-CD2 4.48Å; M570-F596 HydrophobicContact CE-CG 3.68Å; M570-V612 HydrophobicContact CG-CG1 4.19Å; M570-V616 HydrophobicContact CB-CG2 4.16Å; M570-F680 HydrophobicContact CB-CE2 4.29Å; M570-F680 HydrophobicContact CB-CZ 4Å; M570-F680 HydrophobicContact CG-CZ 3.92Å; M570-F680 HydrophobicContact SD-CE2 4.19Å; M570-F680 HydrophobicContact SD-CZ 3.71Å; M570-I695 HydrophobicContact CE-CG2 4.37Å; M570-I695 HydrophobicContact SD-CB 4.14Å; M570-I695 HydrophobicContact SD-CG2 3.44Å; M570-I695 WeakPolarHBondContact SD-CG2 3.47Å |
| 571 | H | 96.6 | Very high | 96 | Very high | 13 Ų | 13 | 29.6 Ų | 29.6 | 6% | 0.06 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.8 | -47.3 | 177.4 | -177.7 | -152.7 | 0 | 0 | 0 | 111.9 | T567 H568 A573 L574 R575 F596 E664 | T567-H571 WeakPolarHBondContact O-CB 3.28Å; T567-H571 PolarHBondContact O-N 3.22Å; H568-H571 PolarHBondContact O-N 3.11Å; H571-A573 VanDerWaalsContact C-N 3.33Å; H571-A573 PolarHBondContact O-N 3.47Å; H571-L574 PolarHBondContact O-N 2.81Å; H571-R575 WeakPolarHBondContact O-CG 3.32Å; H571-R575 PolarHBondContact O-N 3.13Å; H571-R575 VanDerWaalsContact O-N 3.1Å; H571-F596 HydrophobicContact CB-CE1 4.18Å; H571-F596 HydrophobicContact CB-CE2 4.39Å; H571-F596 HydrophobicContact CB-CZ 3.81Å; H571-F596 AromaticContact CD2-CE1 3.76Å; H571-F596 AromaticContact CD2-CZ 3.5Å; H571-F596 VanDerWaalsContact CD2-CZ 3.5Å; H571-F596 WeakPolarHBondContact CD2-CZ 3.42Å; H571-F596 AromaticContact CG-CZ 3.54Å; H571-E664 IonicContact ND1-OE1 2.64Å; H571-E664 PolarHBondContact ND1-OE1 3.07Å; H571-E664 IonicContact ND1-OE2 2.73Å |
| 572 | A | 96.6 | Very high | 95.6 | Very high | 11 Ų | 11 | 26.5 Ų | 26.5 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.2 | -41.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | H568 L569 R575 Q576 F661 | H568-A572 PolarHBondContact O-N 3.09Å; L569-A572 PolarHBondContact O-N 2.99Å; A572-R575 PolarHBondContact O-N 2.91Å; A572-Q576 PolarHBondContact O-N 3.33Å; A572-Q576 VanDerWaalsContact O-N 3.08Å; A572-F661 HydrophobicContact CB-CD1 3.86Å; A572-F661 HydrophobicContact CB-CE1 3.5Å; A572-F661 HydrophobicContact CB-CZ 4.04Å |
| 573 | A | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.5 | -42.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | L569 M570 H571 R575 Q576 V577 V612 L615 V616 F661 | L569-A573 VanDerWaalsContact O-CB 3.3Å; L569-A573 WeakPolarHBondContact O-CB 3.45Å; L569-A573 PolarHBondContact O-N 3.44Å; M570-A573 PolarHBondContact O-N 2.88Å; H571-A573 VanDerWaalsContact C-N 3.33Å; H571-A573 PolarHBondContact O-N 3.47Å; A573-R575 VanDerWaalsContact C-N 3.31Å; A573-R575 PolarHBondContact O-N 2.84Å; A573-Q576 PolarHBondContact O-N 2.88Å; A573-V577 WeakPolarHBondContact O-CG2 3.31Å; A573-V577 PolarHBondContact O-N 3.21Å; A573-V612 HydrophobicContact CB-CG1 4Å; A573-L615 HydrophobicContact CB-CB 4.24Å; A573-L615 HydrophobicContact CB-CD2 3.79Å; A573-L615 HydrophobicContact CB-CG 4.1Å; A573-V616 HydrophobicContact CB-CG2 3.73Å; A573-F661 HydrophobicContact CB-CZ 4.15Å |
| 574 | L | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.2 | -42.7 | 175.1 | -75.4 | 164 | 0 | 0 | 0 | 111.4 | M570 H571 Q576 V577 L578 V582 F596 F598 M604 V612 I695 | M570-L574 HydrophobicContact CG-CD1 4.03Å; M570-L574 HydrophobicContact CG-CG 4.36Å; M570-L574 WeakPolarHBondContact O-CB 3.44Å; M570-L574 VanDerWaalsContact O-CG 3.3Å; M570-L574 WeakPolarHBondContact O-CG 3.45Å; M570-L574 PolarHBondContact O-N 3.04Å; H571-L574 PolarHBondContact O-N 2.81Å; L574-Q576 VanDerWaalsContact C-N 3.33Å; L574-Q576 PolarHBondContact O-N 3.33Å; L574-V577 PolarHBondContact O-N 3.09Å; L574-L578 HydrophobicContact CD2-CD1 3.83Å; L574-L578 VanDerWaalsContact O-CB 3.31Å; L574-L578 WeakPolarHBondContact O-CB 3.36Å; L574-L578 PolarHBondContact O-N 3.18Å; L574-V582 HydrophobicContact CB-CG1 3.93Å; L574-F596 HydrophobicContact CD1-CD1 3.98Å; L574-F596 HydrophobicContact CD1-CE1 4.11Å; L574-F598 HydrophobicContact CD1-CD1 4.07Å; L574-F598 HydrophobicContact CD1-CE1 4.15Å; L574-F598 HydrophobicContact CD1-CG 4.29Å; L574-F598 HydrophobicContact CD1-CZ 4.41Å; L574-F598 HydrophobicContact CD2-CE1 4.38Å; L574-F598 HydrophobicContact CD2-CE2 4.14Å; L574-F598 HydrophobicContact CD2-CZ 3.92Å; L574-M604 HydrophobicContact CD2-CE 3.85Å; L574-M604 HydrophobicContact CD2-SD 3.89Å; L574-V612 HydrophobicContact CD2-CG1 4.25Å; L574-V612 HydrophobicContact CD2-CG2 3.89Å; L574-V612 HydrophobicContact CG-CG1 4.18Å; L574-V612 HydrophobicContact CG-CG2 4.36Å; L574-I695 HydrophobicContact CD1-CD1 4.09Å; L574-I695 HydrophobicContact CD2-CD1 3.61Å; L574-I695 HydrophobicContact CG-CD1 4.32Å |
| 575 | R | 95.2 | Very high | 93.5 | Very high | 69 Ų | 69 | 33 Ų | 33 | 26% | 0.26 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.8 | -36.7 | 177.2 | -71.3 | 176 | 62.6 | 72.7 | 3.2 | 112.6 | H571 A572 A573 G579 T580 V582 M642 | H571-R575 WeakPolarHBondContact O-CG 3.32Å; H571-R575 PolarHBondContact O-N 3.13Å; H571-R575 VanDerWaalsContact O-N 3.1Å; A572-R575 PolarHBondContact O-N 2.91Å; A573-R575 VanDerWaalsContact C-N 3.31Å; A573-R575 PolarHBondContact O-N 2.84Å; R575-G579 WeakPolarHBondContact CA-O 3.47Å; R575-G579 CarbonylContact O-C 3.52Å; R575-G579 WeakPolarHBondContact O-CA 3.43Å; R575-G579 PolarHBondContact O-N 2.97Å; R575-T580 PolarHBondContact NH1-O 3.34Å; R575-V582 HydrophobicContact CG-CB 3.88Å; R575-V582 HydrophobicContact CG-CG1 4.05Å; R575-V582 PolarHBondContact NH1-O 3.09Å; R575-M642 PolarHBondContact NE-SD 3.42Å |
| 576 | Q | 96.5 | Very high | 92.8 | Very high | 131 Ų | 131 | 33.9 Ų | 33.9 | 61% | 0.612 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -71.8 | -38.6 | 177.4 | -175.2 | 174.3 | -23.7 | 0 | 0 | 112.6 | A572 A573 L574 L615 | A572-Q576 PolarHBondContact O-N 3.33Å; A572-Q576 VanDerWaalsContact O-N 3.08Å; A573-Q576 PolarHBondContact O-N 2.88Å; L574-Q576 VanDerWaalsContact C-N 3.33Å; L574-Q576 PolarHBondContact O-N 3.33Å; Q576-L615 HydrophobicContact CB-CD2 4.15Å; Q576-L615 HydrophobicContact CG-CD2 4.27Å |
| 577 | V | 97.2 | Very high | 92.4 | Very high | 47 Ų | 47 | 34.8 Ų | 34.8 | 29% | 0.285 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -81.4 | -46.8 | -177.3 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | A573 L574 E608 A611 V612 | A573-V577 WeakPolarHBondContact O-CG2 3.31Å; A573-V577 PolarHBondContact O-N 3.21Å; L574-V577 PolarHBondContact O-N 3.09Å; V577-E608 HydrophobicContact CG1-CB 4.11Å; V577-E608 HydrophobicContact CG1-CG 4.3Å; V577-A611 HydrophobicContact CG1-CB 4.21Å; V577-A611 HydrophobicContact CG2-CB 4.06Å; V577-V612 HydrophobicContact CB-CG2 3.89Å; V577-V612 HydrophobicContact CG1-CG2 4.17Å; V577-V612 HydrophobicContact CG2-CG2 3.83Å |
| 578 | L | 95.1 | Very high | 92.2 | Very high | 27 Ų | 27 | 37.1 Ų | 37.1 | 14% | 0.141 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -95.3 | -36.3 | -173.3 | -56.9 | 177.4 | 0 | 0 | 0 | 112.6 | L574 H581 V582 F598 M604 E608 | L574-L578 HydrophobicContact CD2-CD1 3.83Å; L574-L578 VanDerWaalsContact O-CB 3.31Å; L574-L578 WeakPolarHBondContact O-CB 3.36Å; L574-L578 PolarHBondContact O-N 3.18Å; L578-H581 PolarHBondContact O-CE1 3.34Å; L578-H581 VanDerWaalsContact O-CE1 3.23Å; L578-V582 HydrophobicContact CB-CG2 3.9Å; L578-V582 HydrophobicContact CD1-CG2 4.2Å; L578-F598 HydrophobicContact CD1-CE2 3.75Å; L578-F598 HydrophobicContact CD1-CZ 4.37Å; L578-M604 HydrophobicContact CD1-CE 4.1Å; L578-M604 HydrophobicContact CD1-CG 4.08Å; L578-M604 HydrophobicContact CD1-SD 3.99Å; L578-M604 HydrophobicContact CD2-CE 4.3Å; L578-M604 HydrophobicContact CD2-CG 4.38Å; L578-M604 HydrophobicContact CG-CE 4.45Å; L578-E608 HydrophobicContact CD2-CB 4.2Å; L578-E608 HydrophobicContact CD2-CG 4.29Å |
| 579 | G | 91.6 | Very high | 92.2 | Very high | 22 Ų | 22 | 36.6 Ų | 36.6 | 23% | 0.227 | 20% | 0.199 | C | C | . | . | trans | 131.6 | 171.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R575 H581 V582 | R575-G579 WeakPolarHBondContact CA-O 3.47Å; R575-G579 CarbonylContact O-C 3.52Å; R575-G579 WeakPolarHBondContact O-CA 3.43Å; R575-G579 PolarHBondContact O-N 2.97Å; G579-H581 VanDerWaalsContact C-N 3.26Å; G579-H581 PolarHBondContact O-N 3.21Å; G579-V582 WeakPolarHBondContact O-CG2 3.39Å; G579-V582 PolarHBondContact O-N 3.45Å | ||
| 580 | T | 86.3 | Confident | 92.1 | Very high | 114 Ų | 114 | 38 Ų | 38 | 70% | 0.699 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -7.5 | -172.9 | 55.2 | 0 | 0 | 0 | 0 | 114.8 | R575 V582 | R575-T580 PolarHBondContact NH1-O 3.34Å; T580-V582 PolarHBondContact O-N 3.4Å |
| 581 | H | 83.1 | Confident | 92.1 | Very high | 66 Ų | 66 | 39.6 Ų | 39.6 | 31% | 0.306 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -24.3 | 172 | 58.9 | -85 | 0 | 0 | 0 | 112.4 | L578 G579 S583 S599 H600 | L578-H581 PolarHBondContact O-CE1 3.34Å; L578-H581 VanDerWaalsContact O-CE1 3.23Å; G579-H581 VanDerWaalsContact C-N 3.26Å; G579-H581 PolarHBondContact O-N 3.21Å; H581-S583 PolarHBondContact O-N 3.03Å; H581-S583 VanDerWaalsContact O-N 3.12Å; H581-S583 PolarHBondContact O-OG 3.23Å; H581-S599 PolarHBondContact O-OG 3.39Å; H581-H600 AromaticContact NE2-ND1 3.34Å; H581-H600 PolarHBondContact NE2-ND1 3.42Å |
| 582 | V | 88.9 | Confident | 92.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -59 | 116.5 | 178.3 | 172.1 | 0 | 0 | 0 | 0 | 109.7 | L574 R575 L578 G579 T580 F598 | L574-V582 HydrophobicContact CB-CG1 3.93Å; R575-V582 HydrophobicContact CG-CB 3.88Å; R575-V582 HydrophobicContact CG-CG1 4.05Å; R575-V582 PolarHBondContact NH1-O 3.09Å; L578-V582 HydrophobicContact CB-CG2 3.9Å; L578-V582 HydrophobicContact CD1-CG2 4.2Å; G579-V582 WeakPolarHBondContact O-CG2 3.39Å; G579-V582 PolarHBondContact O-N 3.45Å; T580-V582 PolarHBondContact O-N 3.4Å; V582-F598 HydrophobicContact CG1-CB 4.07Å; V582-F598 HydrophobicContact CG1-CD2 3.87Å; V582-F598 HydrophobicContact CG1-CG 4.26Å; V582-F598 HydrophobicContact CG2-CD2 4.24Å | ||
| 583 | S | 85.5 | Confident | 92.1 | Very high | 40 Ų | 40 | 47.4 Ų | 47.4 | 28% | 0.28 | 25% | 0.249 | S | C | . | . | trans | -137.4 | 144.1 | 177.5 | 40.1 | 0 | 0 | 0 | 0 | 109.8 | H581 K585 F598 S599 | H581-S583 PolarHBondContact O-N 3.03Å; H581-S583 VanDerWaalsContact O-N 3.12Å; H581-S583 PolarHBondContact O-OG 3.23Å; S583-K585 PolarHBondContact O-N 2.98Å; S583-F598 VanDerWaalsContact O-CA 3.25Å; S583-F598 WeakPolarHBondContact O-CA 3.47Å; S583-S599 PolarHBondContact N-OG 3.03Å; S583-S599 PolarHBondContact O-N 2.79Å; S583-S599 PolarHBondContact O-OG 3.05Å; S583-S599 PolarHBondContact OG-OG 2.84Å | ||
| 584 | Q | 84.8 | Confident | 92.1 | Very high | 48 Ų | 48 | 47.4 Ų | 47.4 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 132.3 | 175.8 | -178.1 | 176.4 | -32.1 | 0 | 0 | 111 | F596 L644 | Q584-F596 HydrophobicContact CB-CE2 3.78Å; Q584-F596 HydrophobicContact CB-CZ 3.67Å; Q584-F596 HydrophobicContact CG-CD2 4.33Å; Q584-F596 HydrophobicContact CG-CE2 3.59Å; Q584-F596 HydrophobicContact CG-CZ 4.01Å; Q584-L644 HydrophobicContact CB-CD2 3.7Å; Q584-L644 HydrophobicContact CG-CD2 3.99Å |
| 585 | K | 82.2 | Confident | 92 | Very high | 92 Ų | 92 | 50.1 Ų | 50.1 | 40% | 0.4 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | -11.4 | 174.8 | -64.7 | -63.8 | 177.9 | 176.9 | 0 | 112.9 | G298 S583 D597 V692 | G298-K585 PolarHBondContact O-NZ 2.94Å; S583-K585 PolarHBondContact O-N 2.98Å; K585-D597 HydrophobicContact CB-CB 4.39Å; K585-D597 PolarHBondContact N-O 3.15Å; K585-V692 HydrophobicContact CB-CG1 4Å; K585-V692 HydrophobicContact CG-CG1 4.34Å; K585-V692 HydrophobicContact CG-CG2 4.3Å |
| 586 | G | 83.5 | Confident | 92.1 | Very high | 17 Ų | 17 | 46.9 Ų | 46.9 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179 | 151.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | D597 | G586-D597 PolarHBondContact N-O 3.34Å; G586-D597 PolarHBondContact O-N 2.97Å |
| 587 | S | 89.3 | Confident | 91.8 | Very high | 20 Ų | 20 | 41.2 Ų | 41.2 | 14% | 0.14 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 140.7 | 177.8 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | G504 R595 | G504-S587 WeakPolarHBondContact CA-O 3.26Å; S587-R595 CarbonylContact C-O 3.58Å; S587-R595 WeakPolarHBondContact CA-O 3.49Å |
| 588 | L | 93.3 | Very high | 91.6 | Very high | 52 Ų | 52 | 39 Ų | 39 | 27% | 0.272 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 120.3 | 168.2 | 170.8 | 69.6 | 0 | 0 | 0 | 108.1 | G504 V506 L594 R595 | G504-L588 CarbonylContact O-C 3.59Å; G504-L588 VanDerWaalsContact O-CA 3.32Å; G504-L588 WeakPolarHBondContact O-CA 3.18Å; V506-L588 HydrophobicContact CG1-CD1 3.66Å; L588-L594 CarbonylContact O-C 3.58Å; L588-L594 WeakPolarHBondContact O-CA 3.4Å; L588-R595 HydrophobicContact CB-CB 4.16Å; L588-R595 PolarHBondContact N-O 3.02Å; L588-R595 PolarHBondContact O-N 2.97Å |
| 589 | V | 97.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 110.5 | -179.1 | 179.3 | 0 | 0 | 0 | 0 | 107.5 | G504 V506 I560 N563 H564 L594 | G504-V589 PolarHBondContact O-N 2.82Å; V506-V589 WeakPolarHBondContact CG2-O 3.11Å; V506-V589 PolarHBondContact N-O 3.01Å; I560-V589 HydrophobicContact CG2-CG1 4.33Å; N563-V589 HydrophobicContact CB-CG1 3.79Å; H564-V589 HydrophobicContact CB-CG1 3.78Å; V589-L594 HydrophobicContact CG2-CB 4.48Å |
| 590 | N | 97.2 | Very high | 91.1 | Very high | 30 Ų | 30 | 38.4 Ų | 38.4 | 16% | 0.16 | 20% | 0.199 | C | C | . | . | trans | -126.7 | -173.7 | 175 | 66.6 | 40.4 | 0 | 0 | 0 | 111.1 | V506 N563 K592 V593 | V506-N590 HydrophobicContact CB-CB 4.46Å; V506-N590 HydrophobicContact CG1-CB 3.83Å; V506-N590 HydrophobicContact CG2-CB 3.78Å; N563-N590 PolarHBondContact ND2-O 3.44Å; N590-K592 PolarHBondContact O-N 3.41Å; N590-K592 WeakPolarHBondContact OD1-CA 3.19Å; N590-K592 WeakPolarHBondContact OD1-CB 3.17Å; N590-K592 PolarHBondContact OD1-N 3.36Å; N590-V593 PolarHBondContact N-O 2.92Å; N590-V593 VanDerWaalsContact N-O 3.1Å; N590-V593 PolarHBondContact OD1-N 3.4Å; N590-V593 PolarHBondContact OD1-O 3.19Å | ||
| 591 | D | 97.1 | Very high | 90.9 | Very high | 33 Ų | 33 | 37.7 Ų | 37.7 | 18% | 0.176 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -74.7 | -3.3 | -176.7 | 58.5 | -73 | 0 | 0 | 0 | 114.5 | R556 R559 I560 | R556-D591 HydrophobicContact CG-CB 3.58Å; R556-D591 IonicContact CZ-OD1 3.83Å; R556-D591 IonicContact NE-OD1 3.9Å; R556-D591 PolarHBondContact NE-OD1 3.17Å; R556-D591 IonicContact NH2-OD1 2.81Å; R559-D591 HydrophobicContact CB-CB 4.04Å; R559-D591 WeakPolarHBondContact CB-O 3.48Å; R559-D591 WeakPolarHBondContact CD-O 3.46Å; R559-D591 PolarHBondContact NE-O 3.21Å; R559-D591 IonicContact NH2-OD2 3.68Å; I560-D591 HydrophobicContact CD1-CB 4.4Å; I560-D591 HydrophobicContact CG1-CB 3.88Å |
| 592 | K | 96.9 | Very high | 91.1 | Very high | 158 Ų | 158 | 41.1 Ų | 41.1 | 69% | 0.687 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -114.7 | -40.9 | -177.4 | -59.3 | -179.3 | -177.9 | 177.1 | 0 | 112.7 | N590 V698 | N590-K592 PolarHBondContact O-N 3.41Å; N590-K592 WeakPolarHBondContact OD1-CA 3.19Å; N590-K592 WeakPolarHBondContact OD1-CB 3.17Å; N590-K592 PolarHBondContact OD1-N 3.36Å; K592-V698 WeakPolarHBondContact O-CG1 3.17Å |
| 593 | V | 97.1 | Very high | 91.4 | Very high | 30 Ų | 30 | 44 Ų | 44 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | trans | -146 | 152.2 | -171.3 | 71.8 | 0 | 0 | 0 | 0 | 110.6 | N563 N590 E696 A697 V698 | N563-V593 PolarHBondContact ND2-N 3.48Å; N590-V593 PolarHBondContact N-O 2.92Å; N590-V593 VanDerWaalsContact N-O 3.1Å; N590-V593 PolarHBondContact OD1-N 3.4Å; N590-V593 PolarHBondContact OD1-O 3.19Å; V593-E696 HydrophobicContact CG2-CB 4.16Å; V593-A697 VanDerWaalsContact CG2-O 3.27Å; V593-A697 WeakPolarHBondContact CG2-O 3.41Å; V593-V698 HydrophobicContact CG2-CG1 4.44Å | ||
| 594 | L | 98.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 134.5 | 156.5 | 68.7 | 96.9 | 0 | 0 | 0 | 109.4 | N563 A566 T567 M570 L588 V589 F680 E696 A697 T699 | N563-L594 HydrophobicContact CB-CB 4.1Å; N563-L594 HydrophobicContact CB-CD2 4.36Å; N563-L594 VanDerWaalsContact O-CD2 3.27Å; N563-L594 WeakPolarHBondContact O-CD2 3.47Å; A566-L594 HydrophobicContact CB-CD2 3.65Å; T567-L594 WeakPolarHBondContact OG1-CB 3.32Å; M570-L594 HydrophobicContact CE-CD1 3.37Å; M570-L594 HydrophobicContact SD-CD1 3.87Å; L588-L594 CarbonylContact O-C 3.58Å; L588-L594 WeakPolarHBondContact O-CA 3.4Å; V589-L594 HydrophobicContact CG2-CB 4.48Å; L594-F680 HydrophobicContact CD1-CE2 4.43Å; L594-F680 HydrophobicContact CD2-CD2 4.34Å; L594-F680 HydrophobicContact CD2-CE2 3.98Å; L594-E696 WeakPolarHBondContact O-CA 3.25Å; L594-A697 HydrophobicContact CD1-CB 3.89Å; L594-A697 HydrophobicContact CD2-CB 4.31Å; L594-A697 HydrophobicContact CG-CB 3.96Å; L594-A697 PolarHBondContact N-O 3.08Å; L594-A697 PolarHBondContact O-N 3.35Å; L594-T699 HydrophobicContact CD2-CG2 4.09Å |
| 595 | R | 96.9 | Very high | 92.5 | Very high | 57 Ų | 57 | 45.1 Ų | 45.1 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 127.4 | 176.3 | -178.4 | -160.3 | 109 | -162.3 | 2.3 | 107.9 | S587 L588 D597 R694 I695 E696 | S587-R595 CarbonylContact C-O 3.58Å; S587-R595 WeakPolarHBondContact CA-O 3.49Å; L588-R595 HydrophobicContact CB-CB 4.16Å; L588-R595 PolarHBondContact N-O 3.02Å; L588-R595 PolarHBondContact O-N 2.97Å; R595-D597 IonicContact CZ-OD2 2.78Å; R595-D597 IonicContact NE-OD1 2.88Å; R595-D597 IonicContact NE-OD2 3.57Å; R595-D597 PolarHBondContact NE-OD2 3.17Å; R595-D597 IonicContact NH2-OD2 3.98Å; R595-D597 PolarHBondContact NH2-OD2 3.25Å; R595-R694 VanDerWaalsContact CD-CZ 3.46Å; R595-R694 VanDerWaalsContact CD-NE 3.32Å; R595-R694 HydrophobicContact CG-CG 3.84Å; R595-R694 VanDerWaalsContact NE-NH2 3.18Å; R595-R694 VanDerWaalsContact NH2-NH2 3.18Å; R595-I695 CarbonylContact C-O 3.55Å; R595-I695 WeakPolarHBondContact CA-O 3.1Å; R595-E696 HydrophobicContact CB-CG 4.13Å; R595-E696 HydrophobicContact CG-CG 3.89Å |
| 596 | F | 95.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 119 | -177.8 | -169.1 | -106.4 | 0 | 0 | 0 | 110 | T567 M570 H571 L574 Q584 F598 R694 I695 | T567-F596 HydrophobicContact CG2-CD2 3.65Å; T567-F596 HydrophobicContact CG2-CE2 4.1Å; T567-F596 HydrophobicContact CG2-CG 4.46Å; M570-F596 HydrophobicContact CE-CB 3.19Å; M570-F596 HydrophobicContact CE-CD1 3.98Å; M570-F596 HydrophobicContact CE-CD2 4.48Å; M570-F596 HydrophobicContact CE-CG 3.68Å; H571-F596 HydrophobicContact CB-CE1 4.18Å; H571-F596 HydrophobicContact CB-CE2 4.39Å; H571-F596 HydrophobicContact CB-CZ 3.81Å; H571-F596 AromaticContact CD2-CE1 3.76Å; H571-F596 AromaticContact CD2-CZ 3.5Å; H571-F596 VanDerWaalsContact CD2-CZ 3.5Å; H571-F596 WeakPolarHBondContact CD2-CZ 3.42Å; H571-F596 AromaticContact CG-CZ 3.54Å; L574-F596 HydrophobicContact CD1-CD1 3.98Å; L574-F596 HydrophobicContact CD1-CE1 4.11Å; Q584-F596 HydrophobicContact CB-CE2 3.78Å; Q584-F596 HydrophobicContact CB-CZ 3.67Å; Q584-F596 HydrophobicContact CG-CD2 4.33Å; Q584-F596 HydrophobicContact CG-CE2 3.59Å; Q584-F596 HydrophobicContact CG-CZ 4.01Å; F596-F598 HydrophobicContact CD1-CB 3.95Å; F596-F598 AromaticContact CD1-CD1 3.95Å; F596-F598 HydrophobicContact CD1-CD1 3.95Å; F596-F598 HydrophobicContact CD1-CG 4.32Å; F596-F598 HydrophobicContact CE1-CB 3.68Å; F596-F598 HydrophobicContact CE1-CD1 4.45Å; F596-F598 HydrophobicContact CE1-CG 4.36Å; F596-R694 WeakPolarHBondContact O-CA 3.47Å; F596-I695 PolarHBondContact N-O 3.4Å; F596-I695 PolarHBondContact O-N 3.47Å |
| 597 | D | 91.9 | Very high | 93.8 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 6% | 0.064 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 128.7 | 174.5 | -57.8 | -27.8 | 0 | 0 | 0 | 107.8 | K585 G586 R595 V692 R693 R694 | K585-D597 HydrophobicContact CB-CB 4.39Å; K585-D597 PolarHBondContact N-O 3.15Å; G586-D597 PolarHBondContact N-O 3.34Å; G586-D597 PolarHBondContact O-N 2.97Å; R595-D597 IonicContact CZ-OD2 2.78Å; R595-D597 IonicContact NE-OD1 2.88Å; R595-D597 IonicContact NE-OD2 3.57Å; R595-D597 PolarHBondContact NE-OD2 3.17Å; R595-D597 IonicContact NH2-OD2 3.98Å; R595-D597 PolarHBondContact NH2-OD2 3.25Å; D597-V692 HydrophobicContact CB-CG1 4.12Å; D597-R693 CarbonylContact C-O 3.49Å; D597-R693 VanDerWaalsContact CA-O 3.24Å; D597-R693 WeakPolarHBondContact CA-O 3.46Å; D597-R694 VanDerWaalsContact OD1-CB 3.3Å; D597-R694 WeakPolarHBondContact OD1-CB 3.48Å; D597-R694 WeakPolarHBondContact OD1-CG 3.39Å; D597-R694 IonicContact OD1-CZ 2.69Å; D597-R694 IonicContact OD1-NE 2.91Å; D597-R694 PolarHBondContact OD1-NE 2.8Å; D597-R694 IonicContact OD1-NH2 2.77Å; D597-R694 PolarHBondContact OD1-NH2 3.18Å; D597-R694 IonicContact OD2-CZ 3.82Å; D597-R694 IonicContact OD2-NE 3.5Å; D597-R694 IonicContact OD2-NH2 3.02Å; D597-R694 PolarHBondContact OD2-NH2 3.31Å |
| 598 | F | 91.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 154.6 | -175.5 | 64.8 | -81 | 0 | 0 | 0 | 112.4 | L574 L578 V582 S583 F596 H600 M604 V692 R693 I695 | L574-F598 HydrophobicContact CD1-CD1 4.07Å; L574-F598 HydrophobicContact CD1-CE1 4.15Å; L574-F598 HydrophobicContact CD1-CG 4.29Å; L574-F598 HydrophobicContact CD1-CZ 4.41Å; L574-F598 HydrophobicContact CD2-CE1 4.38Å; L574-F598 HydrophobicContact CD2-CE2 4.14Å; L574-F598 HydrophobicContact CD2-CZ 3.92Å; L578-F598 HydrophobicContact CD1-CE2 3.75Å; L578-F598 HydrophobicContact CD1-CZ 4.37Å; V582-F598 HydrophobicContact CG1-CB 4.07Å; V582-F598 HydrophobicContact CG1-CD2 3.87Å; V582-F598 HydrophobicContact CG1-CG 4.26Å; V582-F598 HydrophobicContact CG2-CD2 4.24Å; S583-F598 VanDerWaalsContact O-CA 3.25Å; S583-F598 WeakPolarHBondContact O-CA 3.47Å; F596-F598 HydrophobicContact CD1-CB 3.95Å; F596-F598 AromaticContact CD1-CD1 3.95Å; F596-F598 HydrophobicContact CD1-CD1 3.95Å; F596-F598 HydrophobicContact CD1-CG 4.32Å; F596-F598 HydrophobicContact CE1-CB 3.68Å; F596-F598 HydrophobicContact CE1-CD1 4.45Å; F596-F598 HydrophobicContact CE1-CG 4.36Å; F598-H600 HydrophobicContact CD2-CB 3.93Å; F598-H600 HydrophobicContact CE2-CB 3.63Å; F598-H600 PolarHBondContact O-N 2.91Å; F598-M604 HydrophobicContact CE2-SD 4.48Å; F598-M604 HydrophobicContact CZ-SD 3.75Å; F598-V692 WeakPolarHBondContact O-CA 3.24Å; F598-R693 HydrophobicContact CD1-CB 4.34Å; F598-R693 HydrophobicContact CD2-CB 4.49Å; F598-R693 HydrophobicContact CE1-CB 3.77Å; F598-R693 HydrophobicContact CE2-CB 3.96Å; F598-R693 HydrophobicContact CE2-CG 4.39Å; F598-R693 HydrophobicContact CZ-CB 3.56Å; F598-R693 HydrophobicContact CZ-CG 4.34Å; F598-R693 PolarHBondContact N-O 3.21Å; F598-R693 PolarHBondContact O-N 2.95Å; F598-I695 HydrophobicContact CE1-CB 4.43Å; F598-I695 HydrophobicContact CE1-CD1 3.73Å; F598-I695 HydrophobicContact CE1-CG1 3.87Å; F598-I695 HydrophobicContact CZ-CD1 4.02Å; F598-I695 HydrophobicContact CZ-CG1 4.43Å |
| 599 | S | 85.9 | Confident | 94.5 | Very high | 10 Ų | 10 | 50.9 Ų | 50.9 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 116.4 | 176.8 | 50.3 | 0 | 0 | 0 | 0 | 111.7 | H581 S583 G691 | H581-S599 PolarHBondContact O-OG 3.39Å; S583-S599 PolarHBondContact N-OG 3.03Å; S583-S599 PolarHBondContact O-N 2.79Å; S583-S599 PolarHBondContact O-OG 3.05Å; S583-S599 PolarHBondContact OG-OG 2.84Å; S599-G691 WeakPolarHBondContact CA-O 3.45Å |
| 600 | H | 90.9 | Very high | 94.5 | Very high | 26 Ų | 26 | 59.3 Ų | 59.3 | 12% | 0.12 | 29% | 0.292 | C | S | . | . | trans | -163.9 | 136.9 | 170.7 | -172.9 | 53.3 | 0 | 0 | 0 | 109.4 | H581 F598 E602 G691 R693 | H581-H600 AromaticContact NE2-ND1 3.34Å; H581-H600 PolarHBondContact NE2-ND1 3.42Å; F598-H600 HydrophobicContact CD2-CB 3.93Å; F598-H600 HydrophobicContact CE2-CB 3.63Å; F598-H600 PolarHBondContact O-N 2.91Å; H600-E602 PolarHBondContact CD2-O 2.97Å; H600-G691 PolarHBondContact N-O 3.46Å; H600-G691 CarbonylContact O-C 3.54Å; H600-R693 HydrophobicContact CB-CG 3.75Å; H600-R693 WeakPolarHBondContact O-CG 3.17Å | ||
| 601 | N | 82.8 | Confident | 94.6 | Very high | 99 Ų | 99 | 59.8 Ų | 59.8 | 53% | 0.529 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -83 | -25.9 | -168.6 | -69.8 | -26.8 | 0 | 0 | 0 | 114 | M300 | M300-N601 WeakPolarHBondContact CE-OD1 3.4Š|
| 602 | E | 87.7 | Confident | 94.7 | Very high | 139 Ų | 139 | 58.2 Ų | 58.2 | 65% | 0.65 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -117.9 | 161.9 | -171.9 | -62.1 | -174.8 | 171.4 | 0 | 0 | 110.6 | H600 R693 | H600-E602 PolarHBondContact CD2-O 2.97Å; E602-R693 WeakPolarHBondContact O-CD 3.35Å; E602-R693 PolarHBondContact O-NE 3.23Å |
| 603 | A | 93.2 | Very high | 94.7 | Very high | 60 Ų | 60 | 52.9 Ų | 52.9 | 50% | 0.496 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 134.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | K605 R693 | A603-K605 PolarHBondContact O-N 2.61Å; A603-R693 VanDerWaalsContact CB-NH2 3.34Å |
| 604 | M | 97.1 | Very high | 94.8 | Very high | 10 Ų | 10 | 55.8 Ų | 55.8 | 5% | 0.049 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 135.9 | 175.1 | -67.5 | -179.5 | 65.7 | 0 | 0 | 109.6 | L574 L578 F598 E608 I609 V612 E685 I695 | L574-M604 HydrophobicContact CD2-CE 3.85Å; L574-M604 HydrophobicContact CD2-SD 3.89Å; L578-M604 HydrophobicContact CD1-CE 4.1Å; L578-M604 HydrophobicContact CD1-CG 4.08Å; L578-M604 HydrophobicContact CD1-SD 3.99Å; L578-M604 HydrophobicContact CD2-CE 4.3Å; L578-M604 HydrophobicContact CD2-CG 4.38Å; L578-M604 HydrophobicContact CG-CE 4.45Å; F598-M604 HydrophobicContact CE2-SD 4.48Å; F598-M604 HydrophobicContact CZ-SD 3.75Å; M604-E608 HydrophobicContact CE-CB 4.1Å; M604-I609 HydrophobicContact CB-CD1 4.17Å; M604-I609 HydrophobicContact CB-CG1 3.65Å; M604-I609 HydrophobicContact CE-CG1 3.99Å; M604-I609 HydrophobicContact SD-CG1 4.33Å; M604-V612 HydrophobicContact CE-CG2 3.93Å; M604-E685 HydrophobicContact CB-CG 4.13Å; M604-E685 HydrophobicContact CG-CG 4.2Å; M604-E685 HydrophobicContact SD-CG 3.97Å; M604-I695 HydrophobicContact CE-CD1 4.47Å; M604-I695 HydrophobicContact SD-CD1 3.76Å; M604-I695 HydrophobicContact SD-CG1 4.47Å |
| 605 | K | 96.4 | Very high | 94.8 | Very high | 102 Ų | 102 | 57.3 Ų | 57.3 | 44% | 0.443 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 150.9 | 173.9 | -56.4 | 176.2 | -169 | 155.9 | 0 | 109.6 | A603 E607 E608 I609 | A603-K605 PolarHBondContact O-N 2.61Å; K605-E607 HydrophobicContact CB-CG 4.04Å; K605-E607 WeakPolarHBondContact CB-OE1 3.33Å; K605-E607 WeakPolarHBondContact CB-OE2 3.4Å; K605-E607 WeakPolarHBondContact CD-OE1 3.45Å; K605-E607 PolarHBondContact O-N 3.11Å; K605-E607 VanDerWaalsContact O-N 3.09Å; K605-E608 HydrophobicContact CB-CG 4.24Å; K605-E608 PolarHBondContact N-OE2 3.34Å; K605-E608 WeakPolarHBondContact O-CB 3.49Å; K605-E608 PolarHBondContact O-N 3.36Å; K605-I609 PolarHBondContact O-N 3.29Å |
| 606 | P | 96.9 | Very high | 94.9 | Very high | 100 Ų | 100 | 54.6 Ų | 54.6 | 65% | 0.649 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -52.2 | -35.3 | 177.8 | -28.3 | 36.2 | 0 | 0 | 0 | 113.9 | R610 | P606-R610 WeakPolarHBondContact O-CB 3.42Å; P606-R610 PolarHBondContact O-N 2.89Å; P606-R610 VanDerWaalsContact O-N 3.1Å |
| 607 | E | 97.5 | Very high | 95.1 | Very high | 120 Ų | 120 | 55.2 Ų | 55.2 | 56% | 0.561 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -68 | -34 | 175 | 59.9 | -88.9 | -155.7 | 0 | 0 | 114 | K605 A611 | K605-E607 HydrophobicContact CB-CG 4.04Å; K605-E607 WeakPolarHBondContact CB-OE1 3.33Å; K605-E607 WeakPolarHBondContact CB-OE2 3.4Å; K605-E607 WeakPolarHBondContact CD-OE1 3.45Å; K605-E607 PolarHBondContact O-N 3.11Å; K605-E607 VanDerWaalsContact O-N 3.09Å; E607-A611 WeakPolarHBondContact O-CB 3.38Å; E607-A611 PolarHBondContact O-N 3.35Å |
| 608 | E | 98.2 | Very high | 95.4 | Very high | 43 Ų | 43 | 56.2 Ų | 56.2 | 20% | 0.201 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -73.3 | -41.6 | 177.5 | -68.3 | 164.3 | 168.6 | 0 | 0 | 110.3 | V577 L578 M604 K605 R610 A611 V612 | V577-E608 HydrophobicContact CG1-CB 4.11Å; V577-E608 HydrophobicContact CG1-CG 4.3Å; L578-E608 HydrophobicContact CD2-CB 4.2Å; L578-E608 HydrophobicContact CD2-CG 4.29Å; M604-E608 HydrophobicContact CE-CB 4.1Å; K605-E608 HydrophobicContact CB-CG 4.24Å; K605-E608 PolarHBondContact N-OE2 3.34Å; K605-E608 WeakPolarHBondContact O-CB 3.49Å; K605-E608 PolarHBondContact O-N 3.36Å; E608-R610 VanDerWaalsContact C-N 3.31Å; E608-R610 PolarHBondContact O-N 3.28Å; E608-A611 PolarHBondContact O-N 3.42Å; E608-V612 WeakPolarHBondContact O-CG2 3.44Å; E608-V612 PolarHBondContact O-N 3.26Å |
| 609 | I | 98.2 | Very high | 95.7 | Very high | 39 Ų | 39 | 57 Ų | 57 | 20% | 0.2 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.8 | -47.6 | 173.6 | -62.2 | 173.7 | 0 | 0 | 0 | 109.7 | M604 K605 V612 E613 I682 E685 | M604-I609 HydrophobicContact CB-CD1 4.17Å; M604-I609 HydrophobicContact CB-CG1 3.65Å; M604-I609 HydrophobicContact CE-CG1 3.99Å; M604-I609 HydrophobicContact SD-CG1 4.33Å; K605-I609 PolarHBondContact O-N 3.29Å; I609-V612 PolarHBondContact O-N 2.95Å; I609-E613 PolarHBondContact O-N 3.42Å; I609-I682 HydrophobicContact CG2-CB 4.28Å; I609-I682 HydrophobicContact CG2-CD1 3.9Å; I609-I682 HydrophobicContact CG2-CG2 3.96Å; I609-E685 HydrophobicContact CD1-CB 3.74Å; I609-E685 HydrophobicContact CD1-CG 4.17Å; I609-E685 HydrophobicContact CG1-CB 4.43Å; I609-E685 HydrophobicContact CG1-CG 4.5Å |
| 610 | R | 98.1 | Very high | 96.3 | Very high | 176 Ų | 176 | 56.8 Ų | 56.8 | 66% | 0.664 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.5 | -42.4 | 177.5 | -173.6 | 172.1 | -66.2 | 166.6 | 1.3 | 112.2 | P606 E608 V612 E613 D614 | P606-R610 WeakPolarHBondContact O-CB 3.42Å; P606-R610 PolarHBondContact O-N 2.89Å; P606-R610 VanDerWaalsContact O-N 3.1Å; E608-R610 VanDerWaalsContact C-N 3.31Å; E608-R610 PolarHBondContact O-N 3.28Å; R610-V612 VanDerWaalsContact C-N 3.31Å; R610-V612 PolarHBondContact O-N 3.09Å; R610-E613 PolarHBondContact O-N 3.47Å; R610-D614 WeakPolarHBondContact O-CB 3.47Å; R610-D614 PolarHBondContact O-N 2.86Å |
| 611 | A | 98.4 | Very high | 96.7 | Very high | 40 Ų | 40 | 63.9 Ų | 63.9 | 33% | 0.331 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V577 E607 E608 L615 | V577-A611 HydrophobicContact CG1-CB 4.21Å; V577-A611 HydrophobicContact CG2-CB 4.06Å; E607-A611 WeakPolarHBondContact O-CB 3.38Å; E607-A611 PolarHBondContact O-N 3.35Å; E608-A611 PolarHBondContact O-N 3.42Å; A611-L615 WeakPolarHBondContact O-CB 3.3Å; A611-L615 PolarHBondContact O-N 2.97Å |
| 612 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.2 | -50.6 | 174.3 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | M570 A573 L574 V577 M604 E608 I609 R610 D614 L615 V616 I682 | M570-V612 HydrophobicContact CG-CG1 4.19Å; A573-V612 HydrophobicContact CB-CG1 4Å; L574-V612 HydrophobicContact CD2-CG1 4.25Å; L574-V612 HydrophobicContact CD2-CG2 3.89Å; L574-V612 HydrophobicContact CG-CG1 4.18Å; L574-V612 HydrophobicContact CG-CG2 4.36Å; V577-V612 HydrophobicContact CB-CG2 3.89Å; V577-V612 HydrophobicContact CG1-CG2 4.17Å; V577-V612 HydrophobicContact CG2-CG2 3.83Å; M604-V612 HydrophobicContact CE-CG2 3.93Å; E608-V612 WeakPolarHBondContact O-CG2 3.44Å; E608-V612 PolarHBondContact O-N 3.26Å; I609-V612 PolarHBondContact O-N 2.95Å; R610-V612 VanDerWaalsContact C-N 3.31Å; R610-V612 PolarHBondContact O-N 3.09Å; V612-D614 PolarHBondContact O-N 3.04Å; V612-L615 PolarHBondContact O-N 3.2Å; V612-V616 WeakPolarHBondContact O-CG2 3.46Å; V612-V616 PolarHBondContact O-N 3.14Å; V612-I682 HydrophobicContact CB-CD1 4.44Å; V612-I682 HydrophobicContact CG1-CD1 4.14Å |
| 613 | E | 98.6 | Very high | 97.9 | Very high | 47 Ų | 47 | 61.3 Ų | 61.3 | 22% | 0.22 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 179.5 | -175.3 | 171.6 | 116.7 | 0 | 0 | 112.4 | I609 R610 V616 N617 F680 R681 I682 | I609-E613 PolarHBondContact O-N 3.42Å; R610-E613 PolarHBondContact O-N 3.47Å; E613-V616 PolarHBondContact O-N 3.44Å; E613-N617 WeakPolarHBondContact O-CB 3.44Å; E613-N617 PolarHBondContact O-N 3.14Å; E613-N617 PolarHBondContact O-ND2 2.84Å; E613-F680 HydrophobicContact CB-CE1 4.48Å; E613-F680 HydrophobicContact CG-CD1 4.17Å; E613-F680 HydrophobicContact CG-CE1 4.4Å; E613-R681 WeakPolarHBondContact OE2-CA 3.46Å; E613-I682 HydrophobicContact CB-CD1 4.19Å; E613-I682 HydrophobicContact CB-CG1 4.46Å; E613-I682 PolarHBondContact OE2-N 2.87Å |
| 614 | D | 98.6 | Very high | 98.1 | Very high | 90 Ų | 90 | 59.5 Ų | 59.5 | 48% | 0.481 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 178.1 | -78 | -24.7 | 0 | 0 | 0 | 111.8 | R610 V612 N617 A618 | R610-D614 WeakPolarHBondContact O-CB 3.47Å; R610-D614 PolarHBondContact O-N 2.86Å; V612-D614 PolarHBondContact O-N 3.04Å; D614-N617 PolarHBondContact O-N 3.35Å; D614-A618 WeakPolarHBondContact O-CB 3.42Å; D614-A618 PolarHBondContact O-N 3.39Å |
| 615 | L | 98.4 | Very high | 98.1 | Very high | 33 Ų | 33 | 61.7 Ų | 61.7 | 17% | 0.173 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.4 | -45.1 | 179.1 | -176.2 | 58.9 | 0 | 0 | 0 | 111.3 | A573 Q576 A611 V612 A618 Q619 F661 | A573-L615 HydrophobicContact CB-CB 4.24Å; A573-L615 HydrophobicContact CB-CD2 3.79Å; A573-L615 HydrophobicContact CB-CG 4.1Å; Q576-L615 HydrophobicContact CB-CD2 4.15Å; Q576-L615 HydrophobicContact CG-CD2 4.27Å; A611-L615 WeakPolarHBondContact O-CB 3.3Å; A611-L615 PolarHBondContact O-N 2.97Å; V612-L615 PolarHBondContact O-N 3.2Å; L615-A618 WeakPolarHBondContact O-CB 3.37Å; L615-A618 PolarHBondContact O-N 2.97Å; L615-Q619 WeakPolarHBondContact O-CG 3.49Å; L615-Q619 PolarHBondContact O-N 2.96Å; L615-Q619 VanDerWaalsContact O-N 3.08Å; L615-F661 HydrophobicContact CD1-CE2 4.08Å; L615-F661 HydrophobicContact CD1-CZ 4.33Å; L615-F661 HydrophobicContact CD2-CE2 4.05Å; L615-F661 HydrophobicContact CD2-CZ 3.86Å; L615-F661 HydrophobicContact CG-CE2 4.04Å; L615-F661 HydrophobicContact CG-CZ 3.8Å |
| 616 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.3 | -49.9 | 175 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | L569 M570 A573 V612 E613 A618 Q619 I620 F680 | L569-V616 HydrophobicContact CB-CG1 3.92Å; L569-V616 HydrophobicContact CB-CG2 4.33Å; L569-V616 HydrophobicContact CD1-CG1 4.36Å; M570-V616 HydrophobicContact CB-CG2 4.16Å; A573-V616 HydrophobicContact CB-CG2 3.73Å; V612-V616 WeakPolarHBondContact O-CG2 3.46Å; V612-V616 PolarHBondContact O-N 3.14Å; E613-V616 PolarHBondContact O-N 3.44Å; V616-A618 VanDerWaalsContact C-N 3.26Å; V616-A618 PolarHBondContact O-N 3.47Å; V616-Q619 PolarHBondContact O-N 3.24Å; V616-Q619 VanDerWaalsContact O-N 3.08Å; V616-I620 HydrophobicContact CG1-CD1 3.86Å; V616-I620 HydrophobicContact CG1-CG1 4.46Å; V616-I620 WeakPolarHBondContact O-CG1 3.44Å; V616-I620 PolarHBondContact O-N 3.44Å; V616-F680 HydrophobicContact CB-CD1 3.71Å; V616-F680 HydrophobicContact CB-CE1 3.99Å; V616-F680 HydrophobicContact CB-CG 4.26Å; V616-F680 HydrophobicContact CG1-CB 3.81Å; V616-F680 HydrophobicContact CG1-CD1 3.51Å; V616-F680 HydrophobicContact CG1-CD2 4.07Å; V616-F680 HydrophobicContact CG1-CE1 4.04Å; V616-F680 HydrophobicContact CG1-CG 3.52Å; V616-F680 HydrophobicContact CG2-CD1 4.27Å; V616-F680 HydrophobicContact CG2-CE1 4.05Å; V616-F680 HydrophobicContact CG2-CZ 4.5Å |
| 617 | N | 98.7 | Very high | 98.1 | Very high | 13 Ų | 13 | 58.1 Ų | 58.1 | 7% | 0.07 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -30.3 | 178.5 | -77.6 | -65.2 | 0 | 0 | 0 | 112.7 | E613 D614 I620 R621 F680 | E613-N617 WeakPolarHBondContact O-CB 3.44Å; E613-N617 PolarHBondContact O-N 3.14Å; E613-N617 PolarHBondContact O-ND2 2.84Å; D614-N617 PolarHBondContact O-N 3.35Å; N617-I620 PolarHBondContact O-N 3.46Å; N617-R621 WeakPolarHBondContact O-CG 3.48Å; N617-R621 PolarHBondContact O-N 2.94Å; N617-R621 PolarHBondContact O-NH1 2.73Å; N617-F680 PolarHBondContact ND2-O 3.22Å; N617-F680 PolarHBondContact OD1-N 3.31Å; N617-F680 PolarHBondContact OD1-O 3.28Å |
| 618 | A | 98.5 | Very high | 97.9 | Very high | 33 Ų | 33 | 55.3 Ų | 55.3 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D614 L615 V616 R621 R622 | D614-A618 WeakPolarHBondContact O-CB 3.42Å; D614-A618 PolarHBondContact O-N 3.39Å; L615-A618 WeakPolarHBondContact O-CB 3.37Å; L615-A618 PolarHBondContact O-N 2.97Å; V616-A618 VanDerWaalsContact C-N 3.26Å; V616-A618 PolarHBondContact O-N 3.47Å; A618-R621 PolarHBondContact O-N 2.96Å; A618-R622 PolarHBondContact O-N 3.01Å; A618-R622 VanDerWaalsContact O-N 3.11Å |
| 619 | Q | 98.5 | Very high | 97.7 | Very high | 17 Ų | 17 | 56.6 Ų | 56.6 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.6 | -34.8 | 175.6 | -60.1 | -57.9 | -28 | 0 | 0 | 112.6 | L569 L615 V616 R622 F661 T674 | L569-Q619 HydrophobicContact CD1-CB 4.3Å; L569-Q619 HydrophobicContact CD2-CB 4.05Å; L615-Q619 WeakPolarHBondContact O-CG 3.49Å; L615-Q619 PolarHBondContact O-N 2.96Å; L615-Q619 VanDerWaalsContact O-N 3.08Å; V616-Q619 PolarHBondContact O-N 3.24Å; V616-Q619 VanDerWaalsContact O-N 3.08Å; Q619-R622 PolarHBondContact O-N 3.2Å; Q619-R622 VanDerWaalsContact OE1-CD 3.29Å; Q619-F661 HydrophobicContact CB-CD1 4.43Å; Q619-F661 HydrophobicContact CG-CB 4.36Å; Q619-F661 HydrophobicContact CG-CD1 3.62Å; Q619-F661 HydrophobicContact CG-CD2 3.92Å; Q619-F661 HydrophobicContact CG-CE1 3.74Å; Q619-F661 HydrophobicContact CG-CE2 4.05Å; Q619-F661 HydrophobicContact CG-CG 3.69Å; Q619-F661 HydrophobicContact CG-CZ 3.97Å; Q619-T674 PolarHBondContact O-OG1 2.6Å |
| 620 | I | 98.5 | Very high | 97.5 | Very high | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60 | -48.1 | 171 | -69.6 | 167.8 | 0 | 0 | 0 | 110.5 | L569 V616 N617 R622 N623 T674 G675 I677 G678 F680 | L569-I620 HydrophobicContact CD1-CG1 3.85Å; V616-I620 HydrophobicContact CG1-CD1 3.86Å; V616-I620 HydrophobicContact CG1-CG1 4.46Å; V616-I620 WeakPolarHBondContact O-CG1 3.44Å; V616-I620 PolarHBondContact O-N 3.44Å; N617-I620 PolarHBondContact O-N 3.46Å; I620-R622 VanDerWaalsContact C-N 3.29Å; I620-R622 PolarHBondContact O-N 3.02Å; I620-N623 WeakPolarHBondContact O-CA 3.1Å; I620-N623 PolarHBondContact O-N 3.21Å; I620-T674 WeakPolarHBondContact CG2-O 3.34Å; I620-T674 PolarHBondContact O-OG1 2.66Å; I620-G675 WeakPolarHBondContact O-CA 3.12Å; I620-G675 PolarHBondContact O-N 3.12Å; I620-I677 HydrophobicContact CD1-CB 3.96Å; I620-I677 HydrophobicContact CD1-CD1 4.38Å; I620-I677 HydrophobicContact CD1-CG2 3.56Å; I620-I677 HydrophobicContact CG1-CB 4.08Å; I620-I677 HydrophobicContact CG1-CD1 4.03Å; I620-I677 HydrophobicContact CG1-CG2 4.21Å; I620-I677 HydrophobicContact CG2-CB 4.43Å; I620-G678 WeakPolarHBondContact CG2-O 3.4Å; I620-F680 HydrophobicContact CD1-CB 3.57Å |
| 621 | R | 98.3 | Very high | 97.2 | Very high | 176 Ų | 176 | 52.5 Ų | 52.5 | 66% | 0.664 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -66 | -25.2 | 179 | -72.4 | -171.7 | -57 | -91.9 | 1.1 | 114.4 | N617 A618 N623 | N617-R621 WeakPolarHBondContact O-CG 3.48Å; N617-R621 PolarHBondContact O-N 2.94Å; N617-R621 PolarHBondContact O-NH1 2.73Å; A618-R621 PolarHBondContact O-N 2.96Å; R621-N623 PolarHBondContact O-N 3.49Å |
| 622 | R | 98.2 | Very high | 96.7 | Very high | 118 Ų | 118 | 55.2 Ų | 55.2 | 45% | 0.445 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -17.8 | 170.4 | -73 | 174.5 | 73.2 | -167 | 5.9 | 112.3 | A618 Q619 I620 L624 D660 | A618-R622 PolarHBondContact O-N 3.01Å; A618-R622 VanDerWaalsContact O-N 3.11Å; Q619-R622 PolarHBondContact O-N 3.2Å; Q619-R622 VanDerWaalsContact OE1-CD 3.29Å; I620-R622 VanDerWaalsContact C-N 3.29Å; I620-R622 PolarHBondContact O-N 3.02Å; R622-L624 VanDerWaalsContact C-N 3.29Å; R622-L624 HydrophobicContact CB-CD1 4.29Å; R622-L624 HydrophobicContact CB-CD2 4.11Å; R622-L624 HydrophobicContact CB-CG 3.83Å; R622-L624 PolarHBondContact O-N 2.93Å; R622-D660 IonicContact CZ-OD1 3.46Å; R622-D660 IonicContact NH1-OD1 2.66Å; R622-D660 PolarHBondContact NH1-OD1 2.78Å; R622-D660 IonicContact NH2-OD1 2.98Å; R622-D660 PolarHBondContact NH2-OD1 2.86Å; R622-D660 IonicContact NH2-OD2 2.68Å |
| 623 | N | 98.1 | Very high | 96 | Very high | 66 Ų | 66 | 57 Ų | 57 | 35% | 0.353 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 49 | 177.5 | -170.3 | 17.6 | 0 | 0 | 0 | 112.1 | I620 R621 R673 T674 G675 | I620-N623 WeakPolarHBondContact O-CA 3.1Å; I620-N623 PolarHBondContact O-N 3.21Å; R621-N623 PolarHBondContact O-N 3.49Å; N623-R673 VanDerWaalsContact O-CZ 3.28Å; N623-R673 PolarHBondContact O-NE 2.86Å; N623-R673 VanDerWaalsContact O-NE 3.16Å; N623-R673 PolarHBondContact O-NH2 2.99Å; N623-R673 VanDerWaalsContact OD1-CB 3.24Å; N623-R673 WeakPolarHBondContact OD1-CB 3.44Å; N623-R673 WeakPolarHBondContact OD1-CD 3.43Å; N623-R673 PolarHBondContact OD1-NE 2.86Å; N623-T674 WeakPolarHBondContact CA-OG1 3.28Å; N623-T674 PolarHBondContact N-OG1 2.91Å; N623-G675 WeakPolarHBondContact OD1-CA 3.36Å; N623-G675 PolarHBondContact OD1-N 3.29Å |
| 624 | L | 97.2 | Very high | 95.2 | Very high | 22 Ų | 22 | 60.6 Ų | 60.6 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | trans | -70.7 | 144.4 | -176.8 | -60.4 | 167.5 | 0 | 0 | 0 | 110 | R622 R673 T674 | R622-L624 VanDerWaalsContact C-N 3.29Å; R622-L624 HydrophobicContact CB-CD1 4.29Å; R622-L624 HydrophobicContact CB-CD2 4.11Å; R622-L624 HydrophobicContact CB-CG 3.83Å; R622-L624 PolarHBondContact O-N 2.93Å; L624-R673 CarbonylContact O-C 3.44Å; L624-R673 WeakPolarHBondContact O-CA 3.46Å; L624-R673 WeakPolarHBondContact O-CB 3.26Å; L624-T674 HydrophobicContact CB-CG2 4Å; L624-T674 PolarHBondContact N-OG1 3.25Å; L624-T674 PolarHBondContact O-N 3.47Å | ||
| 625 | P | 97.6 | Very high | 94.7 | Very high | 55 Ų | 55 | 58.3 Ų | 58.3 | 36% | 0.357 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -61.5 | 139.4 | 167.6 | 28.5 | -33.5 | 0 | 0 | 0 | 110.1 | E627 | P625-E627 HydrophobicContact CB-CG 4.42Å |
| 626 | I | 97.5 | Very high | 94.2 | Very high | 20 Ų | 20 | 56.8 Ų | 56.8 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 111.3 | 171.8 | -63.1 | 178.4 | 0 | 0 | 0 | 107 | L656 S657 M658 H670 A671 S672 T674 | I626-L656 HydrophobicContact CG2-CD1 3.37Å; I626-L656 HydrophobicContact CG2-CG 4.4Å; I626-S657 WeakPolarHBondContact CA-O 3.34Å; I626-M658 HydrophobicContact CD1-CE 4.01Å; I626-M658 HydrophobicContact CD1-CG 4.49Å; I626-M658 HydrophobicContact CD1-SD 4.05Å; I626-M658 HydrophobicContact CG1-CE 4.42Å; I626-M658 HydrophobicContact CG1-CG 4.02Å; I626-M658 HydrophobicContact CG1-SD 4.21Å; I626-M658 HydrophobicContact CG2-CE 4.24Å; I626-M658 HydrophobicContact CG2-CG 4.37Å; I626-H670 HydrophobicContact CG2-CB 4.1Å; I626-A671 WeakPolarHBondContact CB-O 3.5Å; I626-A671 HydrophobicContact CD1-CB 4.13Å; I626-A671 WeakPolarHBondContact CD1-O 3.39Å; I626-S672 PolarHBondContact N-O 3.39Å; I626-T674 HydrophobicContact CD1-CG2 4.25Å; I626-T674 HydrophobicContact CG1-CG2 4.09Å |
| 627 | E | 96.1 | Very high | 93.4 | Very high | 108 Ų | 108 | 62.1 Ų | 62.1 | 51% | 0.505 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 139 | -173.4 | -64.6 | -178.8 | 178.5 | 0 | 0 | 110.7 | P625 L656 S657 | P625-E627 HydrophobicContact CB-CG 4.42Å; E627-L656 CarbonylContact O-C 3.57Å; E627-L656 WeakPolarHBondContact O-CA 3.48Å; E627-S657 PolarHBondContact N-O 3.04Å; E627-S657 PolarHBondContact O-N 2.87Å |
| 628 | T | 93.7 | Very high | 92.7 | Very high | 61 Ų | 61 | 65.9 Ų | 65.9 | 37% | 0.374 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 126.5 | 175.5 | 61.4 | 0 | 0 | 0 | 0 | 110.4 | R654 V655 L656 | T628-R654 VanDerWaalsContact CG2-CZ 3.41Å; T628-V655 CarbonylContact C-O 3.5Å; T628-V655 VanDerWaalsContact CA-O 3.26Å; T628-V655 WeakPolarHBondContact CA-O 3.11Å; T628-L656 HydrophobicContact CG2-CD1 3.53Å |
| 629 | N | 93.7 | Very high | 92 | Very high | 70 Ų | 70 | 70.4 Ų | 70.4 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 134 | -177 | -69.4 | -74.3 | 0 | 0 | 0 | 110.4 | M631 V655 | N629-M631 HydrophobicContact CB-CE 3.38Å; N629-V655 PolarHBondContact N-O 2.95Å; N629-V655 PolarHBondContact O-N 3.36Å |
| 630 | I | 93.1 | Very high | 91.2 | Very high | 106 Ų | 106 | 72 Ų | 72 | 54% | 0.544 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 118.2 | 171.5 | -55.4 | 177.6 | 0 | 0 | 0 | 108.4 | R652 V653 | I630-R652 HydrophobicContact CG2-CB 3.99Å; I630-R652 PolarHBondContact O-NH2 3.09Å; I630-V653 WeakPolarHBondContact CA-O 3.29Å |
| 631 | M | 91.6 | Very high | 90.4 | Very high | 23 Ų | 23 | 72.4 Ų | 72.4 | 11% | 0.113 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 171 | -179.1 | 69.9 | -168 | 73.7 | 0 | 0 | 111.8 | N629 A635 A636 K639 R652 V653 V655 | N629-M631 HydrophobicContact CB-CE 3.38Å; M631-A635 HydrophobicContact CG-CB 4.42Å; M631-A635 HydrophobicContact SD-CB 4.49Å; M631-A636 HydrophobicContact CG-CB 4.08Å; M631-A636 HydrophobicContact SD-CB 4.27Å; M631-K639 HydrophobicContact CE-CD 4.23Å; M631-K639 HydrophobicContact SD-CD 3.77Å; M631-R652 CarbonylContact O-C 3.5Å; M631-R652 WeakPolarHBondContact O-CA 3.25Å; M631-V653 PolarHBondContact N-O 2.86Å; M631-V653 PolarHBondContact O-N 3.26Å; M631-V655 HydrophobicContact CE-CB 3.76Å; M631-V655 HydrophobicContact CE-CG1 4.42Å; M631-V655 HydrophobicContact CE-CG2 3.61Å; M631-V655 HydrophobicContact CG-CG2 3.74Å; M631-V655 HydrophobicContact SD-CB 4.43Å; M631-V655 HydrophobicContact SD-CG2 3.69Å |
| 632 | D | 89.6 | Confident | 89.6 | Confident | 96 Ų | 96 | 66.4 Ų | 66.4 | 51% | 0.513 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 144.8 | 177.9 | -56.4 | -34.8 | 0 | 0 | 0 | 111.2 | E634 A635 A636 E651 | D632-E634 VanDerWaalsContact C-N 3.26Å; D632-E634 PolarHBondContact O-N 2.8Å; D632-A635 HydrophobicContact CB-CB 4.34Å; D632-A635 WeakPolarHBondContact O-CA 3.42Å; D632-A635 WeakPolarHBondContact O-CB 3.37Å; D632-A635 PolarHBondContact O-N 2.74Å; D632-A636 PolarHBondContact O-N 2.87Å; D632-E651 CarbonylContact C-O 3.48Å; D632-E651 VanDerWaalsContact CA-O 3.29Å; D632-E651 WeakPolarHBondContact CA-O 3.45Å |
| 633 | L | 82 | Confident | 88.3 | Confident | 37 Ų | 37 | 63.5 Ų | 63.5 | 19% | 0.194 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -53.7 | -41.6 | -179.2 | 178.9 | 62.6 | 0 | 0 | 0 | 112.6 | A636 K637 Y649 E651 V653 L665 | L633-A636 WeakPolarHBondContact O-CB 3.38Å; L633-A636 PolarHBondContact O-N 3Å; L633-K637 WeakPolarHBondContact O-CG 3.28Å; L633-K637 PolarHBondContact O-N 3.04Å; L633-Y649 HydrophobicContact CD1-CD2 4.35Å; L633-Y649 HydrophobicContact CD1-CG 4.21Å; L633-E651 PolarHBondContact N-O 2.86Å; L633-V653 HydrophobicContact CB-CG1 4.44Å; L633-V653 HydrophobicContact CD1-CG1 3.97Å; L633-V653 HydrophobicContact CD1-CG2 4.43Å; L633-L665 HydrophobicContact CD1-CD1 4.06Å |
| 634 | E | 83.6 | Confident | 86.7 | Confident | 124 Ų | 124 | 63 Ų | 63 | 58% | 0.579 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -68 | -36.7 | 177.6 | -67.4 | -55.4 | 122.2 | 0 | 0 | 112.3 | D632 A636 K637 A638 | D632-E634 VanDerWaalsContact C-N 3.26Å; D632-E634 PolarHBondContact O-N 2.8Å; E634-A636 VanDerWaalsContact C-N 3.33Å; E634-K637 PolarHBondContact O-N 3.2Å; E634-K637 IonicContact OE1-NZ 3.75Å; E634-K637 PolarHBondContact OE1-NZ 3.18Å; E634-A638 WeakPolarHBondContact O-CB 3.42Å; E634-A638 PolarHBondContact O-N 3.2Å |
| 635 | A | 87.8 | Confident | 84.6 | Confident | 42 Ų | 42 | 67.3 Ų | 67.3 | 35% | 0.347 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.8 | -36.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | M631 D632 A638 K639 | M631-A635 HydrophobicContact CG-CB 4.42Å; M631-A635 HydrophobicContact SD-CB 4.49Å; D632-A635 HydrophobicContact CB-CB 4.34Å; D632-A635 WeakPolarHBondContact O-CA 3.42Å; D632-A635 WeakPolarHBondContact O-CB 3.37Å; D632-A635 PolarHBondContact O-N 2.74Å; A635-A638 PolarHBondContact O-N 3.46Å; A635-K639 WeakPolarHBondContact O-CG 3.36Å; A635-K639 PolarHBondContact O-N 2.96Å |
| 636 | A | 86.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M631 D632 L633 E634 A638 K639 G640 A641 V653 V655 L665 | M631-A636 HydrophobicContact CG-CB 4.08Å; M631-A636 HydrophobicContact SD-CB 4.27Å; D632-A636 PolarHBondContact O-N 2.87Å; L633-A636 WeakPolarHBondContact O-CB 3.38Å; L633-A636 PolarHBondContact O-N 3Å; E634-A636 VanDerWaalsContact C-N 3.33Å; A636-A638 VanDerWaalsContact C-N 3.33Å; A636-A638 PolarHBondContact O-N 3.22Å; A636-K639 WeakPolarHBondContact O-CB 3.5Å; A636-K639 PolarHBondContact O-N 3.07Å; A636-K639 VanDerWaalsContact O-N 3.15Å; A636-G640 PolarHBondContact O-N 3.09Å; A636-A641 HydrophobicContact CB-CB 4.07Å; A636-A641 WeakPolarHBondContact O-CB 3.35Å; A636-A641 PolarHBondContact O-N 3.29Å; A636-V653 HydrophobicContact CB-CG2 3.63Å; A636-V655 HydrophobicContact CB-CG2 3.57Å; A636-L665 HydrophobicContact CB-CD2 3.88Å |
| 637 | K | 82.9 | Confident | 80.6 | Confident | 113 Ų | 113 | 69.6 Ų | 69.6 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 173.3 | -72 | 175.3 | -173.2 | 166.1 | 0 | 111.8 | L633 E634 K639 G640 | L633-K637 WeakPolarHBondContact O-CG 3.28Å; L633-K637 PolarHBondContact O-N 3.04Å; E634-K637 PolarHBondContact O-N 3.2Å; E634-K637 IonicContact OE1-NZ 3.75Å; E634-K637 PolarHBondContact OE1-NZ 3.18Å; K637-K639 VanDerWaalsContact C-N 3.26Å; K637-K639 PolarHBondContact O-N 2.73Å; K637-G640 WeakPolarHBondContact O-CA 3.33Å; K637-G640 PolarHBondContact O-N 2.93Å |
| 638 | A | 82.8 | Confident | 78.8 | Confident | 91 Ų | 91 | 69 Ų | 69 | 75% | 0.752 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.4 | -30 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E634 A635 A636 G640 | E634-A638 WeakPolarHBondContact O-CB 3.42Å; E634-A638 PolarHBondContact O-N 3.2Å; A635-A638 PolarHBondContact O-N 3.46Å; A636-A638 VanDerWaalsContact C-N 3.33Å; A636-A638 PolarHBondContact O-N 3.22Å; A638-G640 PolarHBondContact O-N 3.49Å |
| 639 | K | 85.1 | Confident | 77.6 | Confident | 129 Ų | 129 | 69.3 Ų | 69.3 | 56% | 0.561 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -3.2 | 170.9 | -76.4 | -172.9 | 178.8 | -178.8 | 0 | 113.9 | M631 A635 A636 K637 A641 | M631-K639 HydrophobicContact CE-CD 4.23Å; M631-K639 HydrophobicContact SD-CD 3.77Å; A635-K639 WeakPolarHBondContact O-CG 3.36Å; A635-K639 PolarHBondContact O-N 2.96Å; A636-K639 WeakPolarHBondContact O-CB 3.5Å; A636-K639 PolarHBondContact O-N 3.07Å; A636-K639 VanDerWaalsContact O-N 3.15Å; K637-K639 VanDerWaalsContact C-N 3.26Å; K637-K639 PolarHBondContact O-N 2.73Å; K639-A641 VanDerWaalsContact C-N 3.33Å |
| 640 | G | 81.7 | Confident | 76.6 | Confident | 51 Ų | 51 | 72.3 Ų | 72.3 | 53% | 0.526 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 22.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A636 K637 A638 M642 | A636-G640 PolarHBondContact O-N 3.09Å; K637-G640 WeakPolarHBondContact O-CA 3.33Å; K637-G640 PolarHBondContact O-N 2.93Å; A638-G640 PolarHBondContact O-N 3.49Å; G640-M642 PolarHBondContact O-N 2.91Å |
| 641 | A | 82.2 | Confident | 75.7 | Confident | 13 Ų | 13 | 73.6 Ų | 73.6 | 11% | 0.107 | 41% | 0.406 | C | S | . | . | trans | -62.4 | 124.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A636 K639 A643 V655 T663 L665 | A636-A641 HydrophobicContact CB-CB 4.07Å; A636-A641 WeakPolarHBondContact O-CB 3.35Å; A636-A641 PolarHBondContact O-N 3.29Å; K639-A641 VanDerWaalsContact C-N 3.33Å; A641-A643 PolarHBondContact O-N 3.49Å; A641-V655 HydrophobicContact CB-CG1 4.04Å; A641-T663 WeakPolarHBondContact CA-O 3.29Å; A641-T663 HydrophobicContact CB-CG2 3.86Å; A641-L665 HydrophobicContact CB-CD2 3.99Å; A641-L665 HydrophobicContact CB-CG 4.48Å | ||
| 642 | M | 80.3 | Confident | 75.4 | Confident | 49 Ų | 49 | 79.7 Ų | 79.7 | 24% | 0.241 | 43% | 0.428 | C | S | . | . | B | Isolated β-bridge | trans | -72.3 | 131 | 174.8 | -57 | -167.5 | -59 | 0 | 0 | 109.5 | R575 G640 T663 E664 L665 | R575-M642 PolarHBondContact NE-SD 3.42Å; G640-M642 PolarHBondContact O-N 2.91Å; M642-T663 PolarHBondContact N-O 2.91Å; M642-E664 HydrophobicContact CB-CG 4.18Å; M642-E664 VanDerWaalsContact CE-CD 3.41Å; M642-E664 HydrophobicContact CE-CG 3.54Å; M642-E664 WeakPolarHBondContact CE-OE1 3.35Å; M642-E664 WeakPolarHBondContact O-CA 3.41Å; M642-L665 PolarHBondContact O-N 2.9Å |
| 643 | A | 71.2 | Confident | 75.3 | Confident | 57 Ų | 57 | 75.5 Ų | 75.5 | 47% | 0.471 | 41% | 0.406 | S | S | . | . | trans | -108.3 | 149.9 | 172 | 0 | 0 | 0 | 0 | 0 | 109.1 | A641 F645 Y649 L665 | A641-A643 PolarHBondContact O-N 3.49Å; A643-F645 PolarHBondContact O-N 3.39Å; A643-Y649 HydrophobicContact CB-CE2 3.65Å; A643-L665 HydrophobicContact CB-CD1 3.86Å; A643-L665 HydrophobicContact CB-CG 4.47Å | ||
| 644 | L | 64.1 | Low | 75.8 | Confident | 56 Ų | 56 | 75.6 Ų | 75.6 | 29% | 0.293 | 40% | 0.404 | S | S | . | . | trans | -65.7 | 131.2 | 167.1 | -74.7 | 165.2 | 0 | 0 | 0 | 108.6 | Q584 G646 E647 Y649 | Q584-L644 HydrophobicContact CB-CD2 3.7Å; Q584-L644 HydrophobicContact CG-CD2 3.99Å; L644-G646 PolarHBondContact O-N 3.31Å; L644-E647 HydrophobicContact CB-CB 3.92Å; L644-E647 HydrophobicContact CB-CG 3.36Å; L644-E647 HydrophobicContact CD1-CG 3.84Å; L644-E647 HydrophobicContact CG-CG 4.23Å; L644-E647 PolarHBondContact O-N 2.78Å; L644-Y649 PolarHBondContact N-OH 3.34Å | ||
| 645 | F | 53.2 | Low | 76.3 | Confident | 112 Ų | 112 | 69.7 Ų | 69.7 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 126 | 179.9 | -170 | -88.2 | 0 | 0 | 0 | 110.2 | A296 A643 E647 | A296-F645 WeakPolarHBondContact O-CE1 3.5Å; A296-F645 WeakPolarHBondContact O-CZ 3.41Å; A643-F645 PolarHBondContact O-N 3.39Å; F645-E647 VanDerWaalsContact C-N 3.33Å |
| 646 | G | 52.1 | Low | 76.7 | Confident | 47 Ų | 47 | 67.8 Ų | 67.8 | 49% | 0.485 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | -7.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L644 | L644-G646 PolarHBondContact O-N 3.31Š|
| 647 | E | 58.9 | Low | 77.2 | Confident | 77 Ų | 77 | 68.7 Ų | 68.7 | 36% | 0.36 | 37% | 0.367 | S | S | . | . | trans | -71.8 | 141.9 | 174.1 | -76.7 | -65.6 | 166.1 | 0 | 0 | 111.6 | H32 L644 F645 Y649 | H32-E647 IonicContact CD2-OE1 2.6Å; H32-E647 IonicContact CD2-OE2 3.45Å; H32-E647 IonicContact CE1-OE1 3.38Å; H32-E647 IonicContact CE1-OE2 3.79Å; H32-E647 IonicContact NE2-OE1 3.27Å; H32-E647 PolarHBondContact NE2-OE1 3.35Å; H32-E647 IonicContact NE2-OE2 2.65Å; H32-E647 PolarHBondContact NE2-OE2 3.35Å; L644-E647 HydrophobicContact CB-CB 3.92Å; L644-E647 HydrophobicContact CB-CG 3.36Å; L644-E647 HydrophobicContact CD1-CG 3.84Å; L644-E647 HydrophobicContact CG-CG 4.23Å; L644-E647 PolarHBondContact O-N 2.78Å; F645-E647 VanDerWaalsContact C-N 3.33Å; E647-Y649 HydrophobicContact CB-CE2 3.77Å | ||
| 648 | K | 59.5 | Low | 77.8 | Confident | 95 Ų | 95 | 63.3 Ų | 63.3 | 41% | 0.413 | 34% | 0.343 | S | S | . | . | trans | -91.5 | 127.4 | 172.8 | -69.8 | -174.7 | 178.7 | -176.2 | 0 | 109 | Q46 | Q46-K648 PolarHBondContact O-NZ 3.08Š| ||
| 649 | Y | 67.6 | Low | 78.3 | Confident | 68 Ų | 68 | 60.6 Ų | 60.6 | 27% | 0.267 | 32% | 0.324 | S | S | . | . | trans | -109.8 | 142.9 | 177.4 | -66.3 | -78.9 | 0 | 0 | 0 | 110.2 | L633 A643 L644 E647 V653 L665 | L633-Y649 HydrophobicContact CD1-CD2 4.35Å; L633-Y649 HydrophobicContact CD1-CG 4.21Å; A643-Y649 HydrophobicContact CB-CE2 3.65Å; L644-Y649 PolarHBondContact N-OH 3.34Å; E647-Y649 HydrophobicContact CB-CE2 3.77Å; Y649-V653 HydrophobicContact CD1-CG1 3.88Å; Y649-V653 HydrophobicContact CG-CG1 4.04Å; Y649-L665 HydrophobicContact CD1-CB 4.45Å; Y649-L665 HydrophobicContact CD1-CD1 3.61Å; Y649-L665 HydrophobicContact CD2-CD1 4.08Å; Y649-L665 HydrophobicContact CE1-CB 3.72Å; Y649-L665 HydrophobicContact CE1-CD1 3.42Å; Y649-L665 VanDerWaalsContact CE1-CD1 3.42Å; Y649-L665 HydrophobicContact CE1-CG 4.21Å; Y649-L665 HydrophobicContact CE2-CD1 3.93Å; Y649-L665 HydrophobicContact CG-CD1 3.92Å | ||
| 650 | D | 72.3 | Confident | 78.6 | Confident | 133 Ų | 133 | 60.5 Ų | 60.5 | 71% | 0.711 | 33% | 0.329 | S | S | * | . | trans | -63.5 | 163 | 166.2 | -64.6 | -35.5 | 0 | 0 | 0 | 110.5 | R652 V653 | D650-R652 PolarHBondContact O-N 3.49Å; D650-V653 WeakPolarHBondContact O-CG1 3.45Å | ||
| 651 | E | 74.9 | Confident | 79.2 | Confident | 132 Ų | 132 | 59.7 Ų | 59.7 | 62% | 0.617 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -55.5 | -35.4 | 176.8 | -70.8 | 176.4 | -165.8 | 0 | 0 | 111.8 | N58 D632 L633 | N58-E651 PolarHBondContact ND2-OE1 3.48Å; D632-E651 CarbonylContact C-O 3.48Å; D632-E651 VanDerWaalsContact CA-O 3.29Å; D632-E651 WeakPolarHBondContact CA-O 3.45Å; L633-E651 PolarHBondContact N-O 2.86Å |
| 652 | R | 84.4 | Confident | 79.8 | Confident | 152 Ų | 152 | 59.2 Ų | 59.2 | 57% | 0.574 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 119.4 | 173.7 | -64.2 | -158.4 | 71.5 | -173.2 | -0.9 | 110.9 | I630 M631 D650 | I630-R652 HydrophobicContact CG2-CB 3.99Å; I630-R652 PolarHBondContact O-NH2 3.09Å; M631-R652 CarbonylContact O-C 3.5Å; M631-R652 WeakPolarHBondContact O-CA 3.25Å; D650-R652 PolarHBondContact O-N 3.49Å |
| 653 | V | 88.8 | Confident | 80.5 | Confident | 7 Ų | 7 | 58.3 Ų | 58.3 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 149.6 | -179.1 | -65.1 | 0 | 0 | 0 | 0 | 111.7 | I630 M631 L633 A636 Y649 D650 V655 L665 | I630-V653 WeakPolarHBondContact CA-O 3.29Å; M631-V653 PolarHBondContact N-O 2.86Å; M631-V653 PolarHBondContact O-N 3.26Å; L633-V653 HydrophobicContact CB-CG1 4.44Å; L633-V653 HydrophobicContact CD1-CG1 3.97Å; L633-V653 HydrophobicContact CD1-CG2 4.43Å; A636-V653 HydrophobicContact CB-CG2 3.63Å; Y649-V653 HydrophobicContact CD1-CG1 3.88Å; Y649-V653 HydrophobicContact CG-CG1 4.04Å; D650-V653 WeakPolarHBondContact O-CG1 3.45Å; V653-V655 HydrophobicContact CG2-CG2 4.23Å; V653-L665 HydrophobicContact CB-CD1 4.39Å; V653-L665 HydrophobicContact CB-CD2 3.97Å; V653-L665 HydrophobicContact CG1-CD1 4.3Å; V653-L665 HydrophobicContact CG2-CD1 4.4Å; V653-L665 HydrophobicContact CG2-CD2 3.6Å |
| 654 | R | 92.4 | Very high | 81.5 | Confident | 40 Ų | 40 | 56.1 Ų | 56.1 | 15% | 0.151 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 115.1 | 171.4 | -172.6 | 172 | 179.9 | -99.5 | 12.7 | 109.8 | T628 L665 C666 G668 | T628-R654 VanDerWaalsContact CG2-CZ 3.41Å; R654-L665 WeakPolarHBondContact O-CA 3.38Å; R654-C666 WeakPolarHBondContact CD-O 3.45Å; R654-C666 WeakPolarHBondContact CG-O 3.36Å; R654-C666 PolarHBondContact NH1-O 2.84Å; R654-C666 PolarHBondContact O-N 3.36Å; R654-G668 PolarHBondContact NH1-O 2.86Å |
| 655 | V | 94 | Very high | 82.8 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.6 | 177.5 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | T628 N629 M631 A636 A641 V653 T663 E664 L665 | T628-V655 CarbonylContact C-O 3.5Å; T628-V655 VanDerWaalsContact CA-O 3.26Å; T628-V655 WeakPolarHBondContact CA-O 3.11Å; N629-V655 PolarHBondContact N-O 2.95Å; N629-V655 PolarHBondContact O-N 3.36Å; M631-V655 HydrophobicContact CE-CB 3.76Å; M631-V655 HydrophobicContact CE-CG1 4.42Å; M631-V655 HydrophobicContact CE-CG2 3.61Å; M631-V655 HydrophobicContact CG-CG2 3.74Å; M631-V655 HydrophobicContact SD-CB 4.43Å; M631-V655 HydrophobicContact SD-CG2 3.69Å; A636-V655 HydrophobicContact CB-CG2 3.57Å; A641-V655 HydrophobicContact CB-CG1 4.04Å; V653-V655 HydrophobicContact CG2-CG2 4.23Å; V655-T663 HydrophobicContact CG1-CG2 3.59Å; V655-E664 CarbonylContact C-O 3.54Å; V655-E664 WeakPolarHBondContact CA-O 3.42Å; V655-L665 HydrophobicContact CG2-CD2 3.72Å |
| 656 | L | 95.4 | Very high | 84.7 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 127.7 | 171.7 | 179.8 | 72.9 | 0 | 0 | 0 | 109.4 | H568 I626 E627 T628 M658 T663 E664 C666 H670 | H568-L656 WeakPolarHBondContact CD2-CD2 3.29Å; H568-L656 WeakPolarHBondContact NE2-CD2 3.34Å; I626-L656 HydrophobicContact CG2-CD1 3.37Å; I626-L656 HydrophobicContact CG2-CG 4.4Å; E627-L656 CarbonylContact O-C 3.57Å; E627-L656 WeakPolarHBondContact O-CA 3.48Å; T628-L656 HydrophobicContact CG2-CD1 3.53Å; L656-M658 HydrophobicContact CD2-CE 3.65Å; L656-M658 HydrophobicContact CG-CE 4.2Å; L656-T663 CarbonylContact O-C 3.53Å; L656-T663 VanDerWaalsContact O-CA 3.3Å; L656-T663 WeakPolarHBondContact O-CA 3.35Å; L656-E664 PolarHBondContact N-O 2.83Å; L656-E664 PolarHBondContact O-N 3.38Å; L656-C666 HydrophobicContact CB-CB 4.15Å; L656-C666 HydrophobicContact CD2-CB 4.26Å; L656-H670 HydrophobicContact CD1-CB 4.16Å; L656-H670 VanDerWaalsContact CD1-CD2 3.48Å; L656-H670 WeakPolarHBondContact CD1-CD2 3.47Å; L656-H670 VanDerWaalsContact CD2-CE1 3.48Å; L656-H670 WeakPolarHBondContact CD2-CE1 3.3Å; L656-H670 WeakPolarHBondContact CD2-NE2 3.44Å |
| 657 | S | 96.5 | Very high | 86.5 | Confident | 20 Ų | 20 | 49.3 Ų | 49.3 | 14% | 0.14 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.3 | 175.9 | -67.3 | 0 | 0 | 0 | 0 | 111.1 | I626 E627 S662 T663 | I626-S657 WeakPolarHBondContact CA-O 3.34Å; E627-S657 PolarHBondContact N-O 3.04Å; E627-S657 PolarHBondContact O-N 2.87Å; S657-S662 CarbonylContact C-O 3.57Å; S657-S662 WeakPolarHBondContact CA-O 3.36Å; S657-T663 PolarHBondContact OG-OG1 2.83Å |
| 658 | M | 96.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 78.6 | 173.1 | -53.6 | -165.2 | -173.4 | 0 | 0 | 108.9 | S565 H568 L569 I626 L656 F661 S662 T674 | S565-M658 WeakPolarHBondContact O-CE 3.36Å; H568-M658 HydrophobicContact CB-CE 3.95Å; L569-M658 HydrophobicContact CD1-SD 4.4Å; L569-M658 HydrophobicContact CD2-CB 4.11Å; L569-M658 HydrophobicContact CD2-SD 3.63Å; L569-M658 HydrophobicContact CG-SD 3.72Å; I626-M658 HydrophobicContact CD1-CE 4.01Å; I626-M658 HydrophobicContact CD1-CG 4.49Å; I626-M658 HydrophobicContact CD1-SD 4.05Å; I626-M658 HydrophobicContact CG1-CE 4.42Å; I626-M658 HydrophobicContact CG1-CG 4.02Å; I626-M658 HydrophobicContact CG1-SD 4.21Å; I626-M658 HydrophobicContact CG2-CE 4.24Å; I626-M658 HydrophobicContact CG2-CG 4.37Å; L656-M658 HydrophobicContact CD2-CE 3.65Å; L656-M658 HydrophobicContact CG-CE 4.2Å; M658-F661 PolarHBondContact O-N 3.45Å; M658-S662 PolarHBondContact N-O 2.85Å; M658-T674 HydrophobicContact CB-CG2 4.12Å; M658-T674 HydrophobicContact SD-CG2 4.14Å |
| 659 | G | 92.3 | Very high | 90.1 | Very high | 33 Ų | 33 | 41.4 Ų | 41.4 | 34% | 0.34 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | -140.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F661 | G659-F661 VanDerWaalsContact C-N 3.32Š|
| 660 | D | 91.7 | Very high | 91.5 | Very high | 128 Ų | 128 | 38.6 Ų | 38.6 | 68% | 0.684 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84 | -5.3 | 178.8 | 58.3 | -20 | 0 | 0 | 0 | 113.9 | R622 | R622-D660 IonicContact CZ-OD1 3.46Å; R622-D660 IonicContact NH1-OD1 2.66Å; R622-D660 PolarHBondContact NH1-OD1 2.78Å; R622-D660 IonicContact NH2-OD1 2.98Å; R622-D660 PolarHBondContact NH2-OD1 2.86Å; R622-D660 IonicContact NH2-OD2 2.68Å |
| 661 | F | 94.9 | Very high | 92.7 | Very high | 34 Ų | 34 | 32.6 Ų | 32.6 | 15% | 0.149 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -40.3 | -168.3 | -173.1 | -104.8 | 0 | 0 | 0 | 113.6 | L569 A572 A573 L615 Q619 M658 G659 | L569-F661 HydrophobicContact CD2-CD1 3.79Å; L569-F661 HydrophobicContact CD2-CE1 4.27Å; L569-F661 WeakPolarHBondContact O-CE1 3.33Å; A572-F661 HydrophobicContact CB-CD1 3.86Å; A572-F661 HydrophobicContact CB-CE1 3.5Å; A572-F661 HydrophobicContact CB-CZ 4.04Å; A573-F661 HydrophobicContact CB-CZ 4.15Å; L615-F661 HydrophobicContact CD1-CE2 4.08Å; L615-F661 HydrophobicContact CD1-CZ 4.33Å; L615-F661 HydrophobicContact CD2-CE2 4.05Å; L615-F661 HydrophobicContact CD2-CZ 3.86Å; L615-F661 HydrophobicContact CG-CE2 4.04Å; L615-F661 HydrophobicContact CG-CZ 3.8Å; Q619-F661 HydrophobicContact CB-CD1 4.43Å; Q619-F661 HydrophobicContact CG-CB 4.36Å; Q619-F661 HydrophobicContact CG-CD1 3.62Å; Q619-F661 HydrophobicContact CG-CD2 3.92Å; Q619-F661 HydrophobicContact CG-CE1 3.74Å; Q619-F661 HydrophobicContact CG-CE2 4.05Å; Q619-F661 HydrophobicContact CG-CG 3.69Å; Q619-F661 HydrophobicContact CG-CZ 3.97Å; M658-F661 PolarHBondContact O-N 3.45Å; G659-F661 VanDerWaalsContact C-N 3.32Å |
| 662 | S | 94.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 126.7 | -177.7 | -173.4 | 0 | 0 | 0 | 0 | 110.4 | S657 M658 E664 | S657-S662 CarbonylContact C-O 3.57Å; S657-S662 WeakPolarHBondContact CA-O 3.36Å; M658-S662 PolarHBondContact N-O 2.85Å; S662-E664 PolarHBondContact OG-OE1 2.78Å |
| 663 | T | 94.5 | Very high | 94.4 | Very high | 31 Ų | 31 | 27.6 Ų | 27.6 | 19% | 0.19 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 115.8 | 170.1 | -62.8 | 0 | 0 | 0 | 0 | 108.4 | A641 M642 V655 L656 S657 | A641-T663 WeakPolarHBondContact CA-O 3.29Å; A641-T663 HydrophobicContact CB-CG2 3.86Å; M642-T663 PolarHBondContact N-O 2.91Å; V655-T663 HydrophobicContact CG1-CG2 3.59Å; L656-T663 CarbonylContact O-C 3.53Å; L656-T663 VanDerWaalsContact O-CA 3.3Å; L656-T663 WeakPolarHBondContact O-CA 3.35Å; S657-T663 PolarHBondContact OG-OG1 2.83Å |
| 664 | E | 93.2 | Very high | 94.8 | Very high | 11 Ų | 11 | 27.2 Ų | 27.2 | 5% | 0.051 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 155.8 | -171.7 | -56.6 | -166.1 | -159.3 | 0 | 0 | 111.7 | H568 H571 M642 V655 L656 S662 | H568-E664 IonicContact CE1-OE2 3.76Å; H568-E664 PolarHBondContact CE1-OE2 2.79Å; H568-E664 IonicContact CG-OE2 2.78Å; H568-E664 IonicContact ND1-OE1 3.79Å; H568-E664 IonicContact ND1-OE2 3.22Å; H568-E664 PolarHBondContact ND1-OE2 2.91Å; H571-E664 IonicContact ND1-OE1 2.64Å; H571-E664 PolarHBondContact ND1-OE1 3.07Å; H571-E664 IonicContact ND1-OE2 2.73Å; M642-E664 HydrophobicContact CB-CG 4.18Å; M642-E664 VanDerWaalsContact CE-CD 3.41Å; M642-E664 HydrophobicContact CE-CG 3.54Å; M642-E664 WeakPolarHBondContact CE-OE1 3.35Å; M642-E664 WeakPolarHBondContact O-CA 3.41Å; V655-E664 CarbonylContact C-O 3.54Å; V655-E664 WeakPolarHBondContact CA-O 3.42Å; L656-E664 PolarHBondContact N-O 2.83Å; L656-E664 PolarHBondContact O-N 3.38Å; S662-E664 PolarHBondContact OG-OE1 2.78Å |
| 665 | L | 91.3 | Very high | 95.1 | Very high | 19 Ų | 19 | 26.6 Ų | 26.6 | 10% | 0.099 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 115.8 | 168 | -57.8 | -173.1 | 0 | 0 | 0 | 109.3 | L633 A636 A641 M642 A643 Y649 V653 R654 V655 | L633-L665 HydrophobicContact CD1-CD1 4.06Å; A636-L665 HydrophobicContact CB-CD2 3.88Å; A641-L665 HydrophobicContact CB-CD2 3.99Å; A641-L665 HydrophobicContact CB-CG 4.48Å; M642-L665 PolarHBondContact O-N 2.9Å; A643-L665 HydrophobicContact CB-CD1 3.86Å; A643-L665 HydrophobicContact CB-CG 4.47Å; Y649-L665 HydrophobicContact CD1-CB 4.45Å; Y649-L665 HydrophobicContact CD1-CD1 3.61Å; Y649-L665 HydrophobicContact CD2-CD1 4.08Å; Y649-L665 HydrophobicContact CE1-CB 3.72Å; Y649-L665 HydrophobicContact CE1-CD1 3.42Å; Y649-L665 VanDerWaalsContact CE1-CD1 3.42Å; Y649-L665 HydrophobicContact CE1-CG 4.21Å; Y649-L665 HydrophobicContact CE2-CD1 3.93Å; Y649-L665 HydrophobicContact CG-CD1 3.92Å; V653-L665 HydrophobicContact CB-CD1 4.39Å; V653-L665 HydrophobicContact CB-CD2 3.97Å; V653-L665 HydrophobicContact CG1-CD1 4.3Å; V653-L665 HydrophobicContact CG2-CD1 4.4Å; V653-L665 HydrophobicContact CG2-CD2 3.6Å; R654-L665 WeakPolarHBondContact O-CA 3.38Å; V655-L665 HydrophobicContact CG2-CD2 3.72Å |
| 666 | C | 92.2 | Very high | 95.3 | Very high | 14 Ų | 14 | 30.3 Ų | 30.3 | 10% | 0.095 | 19% | 0.186 | C | C | . | . | trans | -147 | 123.3 | -179 | -167.7 | 0 | 0 | 0 | 0 | 113.1 | H568 R654 L656 G668 H670 | H568-C666 PolarHBondContact NE2-SG 2.91Å; H568-C666 VanDerWaalsContact NE2-SG 3.39Å; R654-C666 WeakPolarHBondContact CD-O 3.45Å; R654-C666 WeakPolarHBondContact CG-O 3.36Å; R654-C666 PolarHBondContact NH1-O 2.84Å; R654-C666 PolarHBondContact O-N 3.36Å; L656-C666 HydrophobicContact CB-CB 4.15Å; L656-C666 HydrophobicContact CD2-CB 4.26Å; C666-G668 VanDerWaalsContact C-N 3.3Å; C666-G668 PolarHBondContact SG-N 2.91Å; C666-H670 PolarHBondContact SG-NE2 3.26Å | ||
| 667 | G | 91 | Very high | 95.5 | Very high | 39 Ų | 39 | 30.3 Ų | 30.3 | 40% | 0.402 | 19% | 0.186 | S | C | . | . | trans | -90.4 | 18 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y461 Y499 | Y461-G667 PolarHBondContact OH-O 3.24Å; Y499-G667 WeakPolarHBondContact CE2-O 3.14Å; Y499-G667 PolarHBondContact OH-O 2.95Å | ||
| 668 | G | 94.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -91.4 | 170.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y461 R654 C666 H670 | Y461-G668 WeakPolarHBondContact CE1-O 3.42Å; R654-G668 PolarHBondContact NH1-O 2.86Å; C666-G668 VanDerWaalsContact C-N 3.3Å; C666-G668 PolarHBondContact SG-N 2.91Å; G668-H670 PolarHBondContact O-CD2 3.47Å; G668-H670 VanDerWaalsContact O-CD2 3.22Å; G668-H670 PolarHBondContact O-NE2 2.92Å |
| 669 | T | 97.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.025 | 22% | 0.215 | C | C | . | . | trans | -90.1 | 136.5 | 170.4 | 67.2 | 0 | 0 | 0 | 0 | 110.4 | F458 Y461 Y499 Q505 R561 H564 | F458-T669 HydrophobicContact CZ-CG2 4.32Å; Y461-T669 HydrophobicContact CD1-CG2 4.43Å; Y499-T669 HydrophobicContact CD2-CG2 3.95Å; Y499-T669 HydrophobicContact CG-CG2 4.35Å; Q505-T669 PolarHBondContact NE2-OG1 2.93Å; Q505-T669 PolarHBondContact OE1-O 3.01Å; Q505-T669 PolarHBondContact OE1-OG1 3.46Å; R561-T669 WeakPolarHBondContact CG-OG1 3.27Å; H564-T669 WeakPolarHBondContact CB-O 3.34Å; H564-T669 PolarHBondContact ND1-O 2.93Å | ||
| 670 | H | 97.7 | Very high | 95.9 | Very high | 10 Ų | 10 | 32.6 Ų | 32.6 | 5% | 0.046 | 20% | 0.199 | C | C | . | . | trans | -135.8 | 152.1 | -172 | -64.8 | -66.2 | 0 | 0 | 0 | 111.6 | R561 H564 S565 H568 I626 L656 C666 G668 | R561-H670 PolarHBondContact NE-O 2.7Å; R561-H670 PolarHBondContact NH2-O 2.73Å; H564-H670 AromaticContact CD2-CE1 3.44Å; H564-H670 PolarHBondContact CD2-CE1 2.99Å; H564-H670 VanDerWaalsContact CD2-CE1 3.44Å; H564-H670 AromaticContact CE1-CE1 3.77Å; H564-H670 AromaticContact CG-CE1 3.45Å; H564-H670 VanDerWaalsContact CG-CE1 3.45Å; H564-H670 AromaticContact CG-ND1 3.78Å; H564-H670 AromaticContact ND1-CE1 3.64Å; H564-H670 AromaticContact NE2-CE1 3.64Å; S565-H670 WeakPolarHBondContact OG-CA 3.47Å; S565-H670 WeakPolarHBondContact OG-CB 3.26Å; H568-H670 AromaticContact CD2-CE1 3.43Å; H568-H670 PolarHBondContact CD2-CE1 3.22Å; H568-H670 VanDerWaalsContact CD2-CE1 3.43Å; H568-H670 AromaticContact CD2-ND1 3.89Å; H568-H670 AromaticContact NE2-CE1 3.19Å; H568-H670 PolarHBondContact NE2-CE1 2.99Å; H568-H670 AromaticContact NE2-NE2 3.86Å; I626-H670 HydrophobicContact CG2-CB 4.1Å; L656-H670 HydrophobicContact CD1-CB 4.16Å; L656-H670 VanDerWaalsContact CD1-CD2 3.48Å; L656-H670 WeakPolarHBondContact CD1-CD2 3.47Å; L656-H670 VanDerWaalsContact CD2-CE1 3.48Å; L656-H670 WeakPolarHBondContact CD2-CE1 3.3Å; L656-H670 WeakPolarHBondContact CD2-NE2 3.44Å; C666-H670 PolarHBondContact SG-NE2 3.26Å; G668-H670 PolarHBondContact O-CD2 3.47Å; G668-H670 VanDerWaalsContact O-CD2 3.22Å; G668-H670 PolarHBondContact O-NE2 2.92Å | ||
| 671 | A | 97.2 | Very high | 96.2 | Very high | 6 Ų | 6 | 29.5 Ų | 29.5 | 5% | 0.05 | 18% | 0.178 | C | C | . | . | trans | -54.6 | 161.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R561 L562 S565 I626 D676 | R561-A671 PolarHBondContact O-N 2.81Å; L562-A671 HydrophobicContact CD2-CB 3.97Å; S565-A671 PolarHBondContact OG-N 2.84Å; I626-A671 WeakPolarHBondContact CB-O 3.5Å; I626-A671 HydrophobicContact CD1-CB 4.13Å; I626-A671 WeakPolarHBondContact CD1-O 3.39Å; A671-D676 HydrophobicContact CB-CB 3.99Å | ||
| 672 | S | 96.8 | Very high | 96.4 | Very high | 73 Ų | 73 | 28.6 Ų | 28.6 | 51% | 0.51 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -79.3 | -32.7 | -178.1 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | I626 D676 | I626-S672 PolarHBondContact N-O 3.39Å; S672-D676 WeakPolarHBondContact CB-OD2 3.3Å; S672-D676 PolarHBondContact N-OD2 3.42Å; S672-D676 VanDerWaalsContact N-OD2 3.16Å |
| 673 | R | 98.4 | Very high | 96.5 | Very high | 106 Ų | 106 | 33 Ų | 33 | 40% | 0.4 | 20% | 0.196 | S | C | . | . | B | Isolated β-bridge | trans | -137.9 | 156.8 | 175.1 | -54.4 | -176.5 | 71.4 | 99.6 | -2.2 | 110.6 | N623 L624 G675 D676 | N623-R673 VanDerWaalsContact O-CZ 3.28Å; N623-R673 PolarHBondContact O-NE 2.86Å; N623-R673 VanDerWaalsContact O-NE 3.16Å; N623-R673 PolarHBondContact O-NH2 2.99Å; N623-R673 VanDerWaalsContact OD1-CB 3.24Å; N623-R673 WeakPolarHBondContact OD1-CB 3.44Å; N623-R673 WeakPolarHBondContact OD1-CD 3.43Å; N623-R673 PolarHBondContact OD1-NE 2.86Å; L624-R673 CarbonylContact O-C 3.44Å; L624-R673 WeakPolarHBondContact O-CA 3.46Å; L624-R673 WeakPolarHBondContact O-CB 3.26Å; R673-G675 PolarHBondContact O-N 2.92Å; R673-D676 PolarHBondContact N-OD2 2.72Å; R673-D676 WeakPolarHBondContact O-CB 3.35Å; R673-D676 PolarHBondContact O-N 2.85Å; R673-D676 VanDerWaalsContact O-N 3.16Å |
| 674 | T | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -62.5 | -28.1 | 175.9 | 63.6 | 0 | 0 | 0 | 0 | 112 | L569 Q619 I620 N623 L624 I626 M658 D676 I677 | L569-T674 HydrophobicContact CD1-CG2 4.2Å; L569-T674 HydrophobicContact CD2-CG2 4.43Å; Q619-T674 PolarHBondContact O-OG1 2.6Å; I620-T674 WeakPolarHBondContact CG2-O 3.34Å; I620-T674 PolarHBondContact O-OG1 2.66Å; N623-T674 WeakPolarHBondContact CA-OG1 3.28Å; N623-T674 PolarHBondContact N-OG1 2.91Å; L624-T674 HydrophobicContact CB-CG2 4Å; L624-T674 PolarHBondContact N-OG1 3.25Å; L624-T674 PolarHBondContact O-N 3.47Å; I626-T674 HydrophobicContact CD1-CG2 4.25Å; I626-T674 HydrophobicContact CG1-CG2 4.09Å; M658-T674 HydrophobicContact CB-CG2 4.12Å; M658-T674 HydrophobicContact SD-CG2 4.14Å; T674-D676 VanDerWaalsContact C-N 3.27Å; T674-D676 PolarHBondContact O-N 3.41Å; T674-I677 WeakPolarHBondContact O-CB 3.38Å; T674-I677 WeakPolarHBondContact O-CG1 3.5Å; T674-I677 PolarHBondContact O-N 2.88Å |
| 675 | G | 98.3 | Very high | 96.7 | Very high | 27 Ų | 27 | 34.6 Ų | 34.6 | 28% | 0.278 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -65 | -27.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | I620 N623 R673 I677 G678 | I620-G675 WeakPolarHBondContact O-CA 3.12Å; I620-G675 PolarHBondContact O-N 3.12Å; N623-G675 WeakPolarHBondContact OD1-CA 3.36Å; N623-G675 PolarHBondContact OD1-N 3.29Å; R673-G675 PolarHBondContact O-N 2.92Å; G675-I677 PolarHBondContact O-N 2.95Å; G675-G678 PolarHBondContact O-N 2.88Å; G675-G678 VanDerWaalsContact O-N 3.11Å |
| 676 | D | 98.2 | Very high | 96.7 | Very high | 78 Ų | 78 | 36 Ų | 36 | 42% | 0.417 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -65.5 | -21.7 | -179.8 | -56.9 | -22.1 | 0 | 0 | 0 | 112 | L562 A671 S672 R673 T674 G678 | L562-D676 HydrophobicContact CD2-CB 4.23Å; L562-D676 VanDerWaalsContact CD2-O 3.24Å; L562-D676 WeakPolarHBondContact CD2-O 3.38Å; A671-D676 HydrophobicContact CB-CB 3.99Å; S672-D676 WeakPolarHBondContact CB-OD2 3.3Å; S672-D676 PolarHBondContact N-OD2 3.42Å; S672-D676 VanDerWaalsContact N-OD2 3.16Å; R673-D676 PolarHBondContact N-OD2 2.72Å; R673-D676 WeakPolarHBondContact O-CB 3.35Å; R673-D676 PolarHBondContact O-N 2.85Å; R673-D676 VanDerWaalsContact O-N 3.16Å; T674-D676 VanDerWaalsContact C-N 3.27Å; T674-D676 PolarHBondContact O-N 3.41Å; D676-G678 PolarHBondContact O-N 3.17Å |
| 677 | I | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -62.9 | -30.1 | 176.1 | -59 | 170.2 | 0 | 0 | 0 | 111 | A566 L569 I620 T674 G675 L679 T699 G700 | A566-I677 HydrophobicContact CB-CD1 4.33Å; A566-I677 HydrophobicContact CB-CG2 4.04Å; L569-I677 HydrophobicContact CD1-CD1 3.76Å; I620-I677 HydrophobicContact CD1-CB 3.96Å; I620-I677 HydrophobicContact CD1-CD1 4.38Å; I620-I677 HydrophobicContact CD1-CG2 3.56Å; I620-I677 HydrophobicContact CG1-CB 4.08Å; I620-I677 HydrophobicContact CG1-CD1 4.03Å; I620-I677 HydrophobicContact CG1-CG2 4.21Å; I620-I677 HydrophobicContact CG2-CB 4.43Å; T674-I677 WeakPolarHBondContact O-CB 3.38Å; T674-I677 WeakPolarHBondContact O-CG1 3.5Å; T674-I677 PolarHBondContact O-N 2.88Å; G675-I677 PolarHBondContact O-N 2.95Å; I677-L679 PolarHBondContact O-N 3.41Å; I677-T699 HydrophobicContact CG2-CG2 3.69Å; I677-G700 WeakPolarHBondContact O-CA 3.31Å; I677-G700 PolarHBondContact O-N 2.95Å |
| 678 | G | 97.9 | Very high | 95.2 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 45% | 0.454 | 23% | 0.234 | S | C | . | . | trans | 72.8 | -105.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I620 G675 D676 | I620-G678 WeakPolarHBondContact CG2-O 3.4Å; G675-G678 PolarHBondContact O-N 2.88Å; G675-G678 VanDerWaalsContact O-N 3.11Å; D676-G678 PolarHBondContact O-N 3.17Å | ||
| 679 | L | 98.2 | Very high | 93.8 | Very high | 58 Ų | 58 | 41.3 Ų | 41.3 | 30% | 0.304 | 26% | 0.257 | S | S | . | . | trans | -106.9 | 131.2 | 178.3 | 176.4 | 63 | 0 | 0 | 0 | 109.1 | I677 T699 G700 A703 V707 | I677-L679 PolarHBondContact O-N 3.41Å; L679-T699 CarbonylContact O-C 3.59Å; L679-T699 WeakPolarHBondContact O-CA 3.49Å; L679-G700 PolarHBondContact O-N 3.23Å; L679-A703 HydrophobicContact CB-CB 3.99Å; L679-A703 HydrophobicContact CD2-CB 3.84Å; L679-A703 HydrophobicContact CG-CB 3.79Å; L679-A703 WeakPolarHBondContact O-CB 3.41Å; L679-V707 HydrophobicContact CD2-CG2 4.05Å | ||
| 680 | F | 98.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 135 | 167 | 169.1 | -94.3 | 0 | 0 | 0 | 109.7 | A566 M570 L594 E613 V616 N617 I620 I682 A697 T699 | A566-F680 HydrophobicContact CB-CD2 3.81Å; A566-F680 HydrophobicContact CB-CE2 4.28Å; M570-F680 HydrophobicContact CB-CE2 4.29Å; M570-F680 HydrophobicContact CB-CZ 4Å; M570-F680 HydrophobicContact CG-CZ 3.92Å; M570-F680 HydrophobicContact SD-CE2 4.19Å; M570-F680 HydrophobicContact SD-CZ 3.71Å; L594-F680 HydrophobicContact CD1-CE2 4.43Å; L594-F680 HydrophobicContact CD2-CD2 4.34Å; L594-F680 HydrophobicContact CD2-CE2 3.98Å; E613-F680 HydrophobicContact CB-CE1 4.48Å; E613-F680 HydrophobicContact CG-CD1 4.17Å; E613-F680 HydrophobicContact CG-CE1 4.4Å; V616-F680 HydrophobicContact CB-CD1 3.71Å; V616-F680 HydrophobicContact CB-CE1 3.99Å; V616-F680 HydrophobicContact CB-CG 4.26Å; V616-F680 HydrophobicContact CG1-CB 3.81Å; V616-F680 HydrophobicContact CG1-CD1 3.51Å; V616-F680 HydrophobicContact CG1-CD2 4.07Å; V616-F680 HydrophobicContact CG1-CE1 4.04Å; V616-F680 HydrophobicContact CG1-CG 3.52Å; V616-F680 HydrophobicContact CG2-CD1 4.27Å; V616-F680 HydrophobicContact CG2-CE1 4.05Å; V616-F680 HydrophobicContact CG2-CZ 4.5Å; N617-F680 PolarHBondContact ND2-O 3.22Å; N617-F680 PolarHBondContact OD1-N 3.31Å; N617-F680 PolarHBondContact OD1-O 3.28Å; I620-F680 HydrophobicContact CD1-CB 3.57Å; F680-I682 HydrophobicContact CE1-CD1 4.24Å; F680-I682 HydrophobicContact CE1-CG1 3.74Å; F680-I682 HydrophobicContact CZ-CD1 4.5Å; F680-I682 HydrophobicContact CZ-CG1 3.86Å; F680-A697 HydrophobicContact CD2-CB 4.18Å; F680-A697 HydrophobicContact CE2-CB 3.38Å; F680-A697 HydrophobicContact CZ-CB 3.61Å; F680-T699 HydrophobicContact CD2-CG2 4.16Å |
| 681 | R | 98.4 | Very high | 91.5 | Very high | 63 Ų | 63 | 43.4 Ų | 43.4 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 128.5 | 179.1 | -172.8 | 175.7 | -175.7 | -169.1 | -2.9 | 112 | E613 A697 V698 A703 T706 D710 | E613-R681 WeakPolarHBondContact OE2-CA 3.46Å; R681-A697 CarbonylContact O-C 3.58Å; R681-A697 WeakPolarHBondContact O-CA 3.33Å; R681-A697 VanDerWaalsContact O-CB 3.23Å; R681-A697 WeakPolarHBondContact O-CB 3.48Å; R681-V698 HydrophobicContact CB-CG2 4.24Å; R681-V698 PolarHBondContact N-O 2.64Å; R681-V698 PolarHBondContact O-N 3.3Å; R681-A703 HydrophobicContact CB-CB 4.26Å; R681-T706 PolarHBondContact NH1-OG1 2.86Å; R681-D710 IonicContact CZ-OD2 3.56Å; R681-D710 IonicContact NH1-OD2 3.03Å; R681-D710 PolarHBondContact NH1-OD2 3.44Å; R681-D710 IonicContact NH2-OD2 3.65Å; R681-D710 PolarHBondContact NH2-OD2 3.13Å |
| 682 | I | 98.4 | Very high | 90.7 | Very high | 15 Ų | 15 | 44.2 Ų | 44.2 | 8% | 0.077 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 126.3 | 171.5 | -62.3 | 174.9 | 0 | 0 | 0 | 108.5 | I609 V612 E613 F680 I695 A697 | I609-I682 HydrophobicContact CG2-CB 4.28Å; I609-I682 HydrophobicContact CG2-CD1 3.9Å; I609-I682 HydrophobicContact CG2-CG2 3.96Å; V612-I682 HydrophobicContact CB-CD1 4.44Å; V612-I682 HydrophobicContact CG1-CD1 4.14Å; E613-I682 HydrophobicContact CB-CD1 4.19Å; E613-I682 HydrophobicContact CB-CG1 4.46Å; E613-I682 PolarHBondContact OE2-N 2.87Å; F680-I682 HydrophobicContact CE1-CD1 4.24Å; F680-I682 HydrophobicContact CE1-CG1 3.74Å; F680-I682 HydrophobicContact CZ-CD1 4.5Å; F680-I682 HydrophobicContact CZ-CG1 3.86Å; I682-I695 HydrophobicContact CD1-CD1 4.47Å; I682-I695 HydrophobicContact CD1-CG2 4.35Å; I682-I695 HydrophobicContact CG1-CG2 4.07Å; I682-I695 HydrophobicContact CG2-CG2 3.99Å; I682-A697 HydrophobicContact CG1-CB 4.32Å |
| 683 | I | 96.6 | Very high | 90.5 | Very high | 93 Ų | 93 | 42.6 Ų | 42.6 | 48% | 0.477 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -40.7 | 177.3 | -62.6 | -176.9 | 0 | 0 | 0 | 110.4 | E696 V698 T706 | I683-E696 PolarHBondContact N-O 3.25Å; I683-V698 HydrophobicContact CD1-CB 4.16Å; I683-V698 HydrophobicContact CD1-CG1 3.36Å; I683-V698 HydrophobicContact CD1-CG2 3.73Å; I683-V698 HydrophobicContact CG1-CG1 4.3Å; I683-V698 HydrophobicContact CG1-CG2 3.94Å; I683-T706 HydrophobicContact CD1-CG2 4.16Å |
| 684 | S | 96.7 | Very high | 90.3 | Very high | 39 Ų | 39 | 40.2 Ų | 40.2 | 27% | 0.273 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 153.3 | -176.2 | 73 | 0 | 0 | 0 | 0 | 112.5 | I695 E696 | S684-I695 WeakPolarHBondContact O-CA 3.18Å; S684-E696 PolarHBondContact N-O 3.13Å; S684-E696 PolarHBondContact O-N 3Å |
| 685 | E | 96.7 | Very high | 90.3 | Very high | 38 Ų | 38 | 40.2 Ų | 40.2 | 18% | 0.178 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 131.4 | 168.7 | -166.8 | -76.4 | 148.8 | 0 | 0 | 107.6 | M604 I609 R693 R694 I695 | M604-E685 HydrophobicContact CB-CG 4.13Å; M604-E685 HydrophobicContact CG-CG 4.2Å; M604-E685 HydrophobicContact SD-CG 3.97Å; I609-E685 HydrophobicContact CD1-CB 3.74Å; I609-E685 HydrophobicContact CD1-CG 4.17Å; I609-E685 HydrophobicContact CG1-CB 4.43Å; I609-E685 HydrophobicContact CG1-CG 4.5Å; E685-R693 IonicContact OE1-CZ 3.65Å; E685-R693 IonicContact OE1-NE 3.05Å; E685-R693 PolarHBondContact OE1-NE 2.95Å; E685-R693 IonicContact OE1-NH2 3.97Å; E685-R693 PolarHBondContact OE1-NH2 2.96Å; E685-R693 IonicContact OE2-CZ 3.53Å; E685-R693 IonicContact OE2-NE 3.49Å; E685-R693 IonicContact OE2-NH2 3.03Å; E685-R693 PolarHBondContact OE2-NH2 3.3Å; E685-R694 VanDerWaalsContact CA-O 3.29Å; E685-R694 WeakPolarHBondContact CA-O 3.25Å; E685-I695 HydrophobicContact CB-CG1 4.41Å; E685-I695 HydrophobicContact CG-CG1 4.01Å |
| 686 | S | 91.2 | Very high | 90.3 | Very high | 48 Ų | 48 | 41.9 Ų | 41.9 | 34% | 0.336 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 160.2 | -177.2 | 59.9 | 0 | 0 | 0 | 0 | 112.4 | R693 R694 | S686-R693 CarbonylContact O-C 3.59Å; S686-R693 WeakPolarHBondContact O-CA 3.11Å; S686-R694 PolarHBondContact N-O 3.09Å; S686-R694 PolarHBondContact O-N 3Å |
| 687 | G | 82.4 | Confident | 90.3 | Very high | 46 Ų | 46 | 38.2 Ų | 38.2 | 47% | 0.474 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 133.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R693 | G687-R693 VanDerWaalsContact CA-NH1 3.31Å |
| 688 | T | 68.9 | Low | 90.3 | Very high | 59 Ų | 59 | 38.6 Ų | 38.6 | 36% | 0.362 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -35.2 | 178.6 | 51.4 | 0 | 0 | 0 | 0 | 112.9 | V692 R694 | T688-V692 PolarHBondContact N-O 3.15Å; T688-V692 VanDerWaalsContact N-O 3.13Å; T688-V692 WeakPolarHBondContact OG1-CG1 3.2Å; T688-V692 PolarHBondContact OG1-O 3.26Å; T688-R694 HydrophobicContact CG2-CB 3.48Å; T688-R694 VanDerWaalsContact CG2-CB 3.48Å; T688-R694 HydrophobicContact CG2-CG 4.36Å |
| 689 | A | 65.2 | Low | 90.3 | Very high | 61 Ų | 61 | 37 Ų | 37 | 50% | 0.504 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 169.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | G691 V692 | A689-G691 PolarHBondContact O-N 2.7Å; A689-V692 HydrophobicContact CB-CB 4.19Å; A689-V692 HydrophobicContact CB-CG2 4.31Å; A689-V692 PolarHBondContact O-N 3.29Å; A689-V692 VanDerWaalsContact O-O 3.07Å |
| 690 | A | 69.2 | Low | 90.3 | Very high | 43 Ų | 43 | 34.7 Ų | 34.7 | 36% | 0.355 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 123 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | M300 P301 V692 | M300-A690 WeakPolarHBondContact CB-O 3.22Å; P301-A690 VanDerWaalsContact O-CB 3.24Å; P301-A690 WeakPolarHBondContact O-CB 3.36Å; A690-V692 PolarHBondContact O-N 2.94Å |
| 691 | G | 76.7 | Confident | 90.2 | Very high | 15 Ų | 15 | 42 Ų | 42 | 16% | 0.155 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 8.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S599 H600 A689 | S599-G691 WeakPolarHBondContact CA-O 3.45Å; H600-G691 PolarHBondContact N-O 3.46Å; H600-G691 CarbonylContact O-C 3.54Å; A689-G691 PolarHBondContact O-N 2.7Å |
| 692 | V | 81.1 | Confident | 90 | Very high | 23 Ų | 23 | 40.6 Ų | 40.6 | 14% | 0.139 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 127 | 178.7 | -172.1 | 0 | 0 | 0 | 0 | 110.3 | K585 D597 F598 T688 A689 A690 | K585-V692 HydrophobicContact CB-CG1 4Å; K585-V692 HydrophobicContact CG-CG1 4.34Å; K585-V692 HydrophobicContact CG-CG2 4.3Å; D597-V692 HydrophobicContact CB-CG1 4.12Å; F598-V692 WeakPolarHBondContact O-CA 3.24Å; T688-V692 PolarHBondContact N-O 3.15Å; T688-V692 VanDerWaalsContact N-O 3.13Å; T688-V692 WeakPolarHBondContact OG1-CG1 3.2Å; T688-V692 PolarHBondContact OG1-O 3.26Å; A689-V692 HydrophobicContact CB-CB 4.19Å; A689-V692 HydrophobicContact CB-CG2 4.31Å; A689-V692 PolarHBondContact O-N 3.29Å; A689-V692 VanDerWaalsContact O-O 3.07Å; A690-V692 PolarHBondContact O-N 2.94Å |
| 693 | R | 92.6 | Very high | 90 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 14% | 0.143 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 156 | 176.9 | -53.5 | -56.5 | -64.9 | 179.4 | -1.3 | 109.6 | D597 F598 H600 E602 A603 E685 S686 G687 | D597-R693 CarbonylContact C-O 3.49Å; D597-R693 VanDerWaalsContact CA-O 3.24Å; D597-R693 WeakPolarHBondContact CA-O 3.46Å; F598-R693 HydrophobicContact CD1-CB 4.34Å; F598-R693 HydrophobicContact CD2-CB 4.49Å; F598-R693 HydrophobicContact CE1-CB 3.77Å; F598-R693 HydrophobicContact CE2-CB 3.96Å; F598-R693 HydrophobicContact CE2-CG 4.39Å; F598-R693 HydrophobicContact CZ-CB 3.56Å; F598-R693 HydrophobicContact CZ-CG 4.34Å; F598-R693 PolarHBondContact N-O 3.21Å; F598-R693 PolarHBondContact O-N 2.95Å; H600-R693 HydrophobicContact CB-CG 3.75Å; H600-R693 WeakPolarHBondContact O-CG 3.17Å; E602-R693 WeakPolarHBondContact O-CD 3.35Å; E602-R693 PolarHBondContact O-NE 3.23Å; A603-R693 VanDerWaalsContact CB-NH2 3.34Å; E685-R693 IonicContact OE1-CZ 3.65Å; E685-R693 IonicContact OE1-NE 3.05Å; E685-R693 PolarHBondContact OE1-NE 2.95Å; E685-R693 IonicContact OE1-NH2 3.97Å; E685-R693 PolarHBondContact OE1-NH2 2.96Å; E685-R693 IonicContact OE2-CZ 3.53Å; E685-R693 IonicContact OE2-NE 3.49Å; E685-R693 IonicContact OE2-NH2 3.03Å; E685-R693 PolarHBondContact OE2-NH2 3.3Å; S686-R693 CarbonylContact O-C 3.59Å; S686-R693 WeakPolarHBondContact O-CA 3.11Å; G687-R693 VanDerWaalsContact CA-NH1 3.31Å |
| 694 | R | 94.3 | Very high | 90.1 | Very high | 56 Ų | 56 | 39.3 Ų | 39.3 | 21% | 0.211 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.1 | 176 | 171.3 | 171.8 | -67.5 | 171.2 | 8.5 | 109.3 | R595 F596 D597 E685 S686 T688 E696 | R595-R694 VanDerWaalsContact CD-CZ 3.46Å; R595-R694 VanDerWaalsContact CD-NE 3.32Å; R595-R694 HydrophobicContact CG-CG 3.84Å; R595-R694 VanDerWaalsContact NE-NH2 3.18Å; R595-R694 VanDerWaalsContact NH2-NH2 3.18Å; F596-R694 WeakPolarHBondContact O-CA 3.47Å; D597-R694 VanDerWaalsContact OD1-CB 3.3Å; D597-R694 WeakPolarHBondContact OD1-CB 3.48Å; D597-R694 WeakPolarHBondContact OD1-CG 3.39Å; D597-R694 IonicContact OD1-CZ 2.69Å; D597-R694 IonicContact OD1-NE 2.91Å; D597-R694 PolarHBondContact OD1-NE 2.8Å; D597-R694 IonicContact OD1-NH2 2.77Å; D597-R694 PolarHBondContact OD1-NH2 3.18Å; D597-R694 IonicContact OD2-CZ 3.82Å; D597-R694 IonicContact OD2-NE 3.5Å; D597-R694 IonicContact OD2-NH2 3.02Å; D597-R694 PolarHBondContact OD2-NH2 3.31Å; E685-R694 VanDerWaalsContact CA-O 3.29Å; E685-R694 WeakPolarHBondContact CA-O 3.25Å; S686-R694 PolarHBondContact N-O 3.09Å; S686-R694 PolarHBondContact O-N 3Å; T688-R694 HydrophobicContact CG2-CB 3.48Å; T688-R694 VanDerWaalsContact CG2-CB 3.48Å; T688-R694 HydrophobicContact CG2-CG 4.36Å; R694-E696 HydrophobicContact CG-CG 4.24Å |
| 695 | I | 98 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 135.5 | 161.7 | -76.6 | 164.9 | 0 | 0 | 0 | 108.9 | M570 L574 R595 F596 F598 M604 I682 S684 E685 A697 | M570-I695 HydrophobicContact CE-CG2 4.37Å; M570-I695 HydrophobicContact SD-CB 4.14Å; M570-I695 HydrophobicContact SD-CG2 3.44Å; M570-I695 WeakPolarHBondContact SD-CG2 3.47Å; L574-I695 HydrophobicContact CD1-CD1 4.09Å; L574-I695 HydrophobicContact CD2-CD1 3.61Å; L574-I695 HydrophobicContact CG-CD1 4.32Å; R595-I695 CarbonylContact C-O 3.55Å; R595-I695 WeakPolarHBondContact CA-O 3.1Å; F596-I695 PolarHBondContact N-O 3.4Å; F596-I695 PolarHBondContact O-N 3.47Å; F598-I695 HydrophobicContact CE1-CB 4.43Å; F598-I695 HydrophobicContact CE1-CD1 3.73Å; F598-I695 HydrophobicContact CE1-CG1 3.87Å; F598-I695 HydrophobicContact CZ-CD1 4.02Å; F598-I695 HydrophobicContact CZ-CG1 4.43Å; M604-I695 HydrophobicContact CE-CD1 4.47Å; M604-I695 HydrophobicContact SD-CD1 3.76Å; M604-I695 HydrophobicContact SD-CG1 4.47Å; I682-I695 HydrophobicContact CD1-CD1 4.47Å; I682-I695 HydrophobicContact CD1-CG2 4.35Å; I682-I695 HydrophobicContact CG1-CG2 4.07Å; I682-I695 HydrophobicContact CG2-CG2 3.99Å; S684-I695 WeakPolarHBondContact O-CA 3.18Å; E685-I695 HydrophobicContact CB-CG1 4.41Å; E685-I695 HydrophobicContact CG-CG1 4.01Å; I695-A697 HydrophobicContact CG2-CB 4.39Å |
| 696 | E | 98.3 | Very high | 90.1 | Very high | 63 Ų | 63 | 40 Ų | 40 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 132.1 | 163.5 | -67.3 | -179.8 | 178.8 | 0 | 0 | 109.3 | V593 L594 R595 I683 S684 R694 | V593-E696 HydrophobicContact CG2-CB 4.16Å; L594-E696 WeakPolarHBondContact O-CA 3.25Å; R595-E696 HydrophobicContact CB-CG 4.13Å; R595-E696 HydrophobicContact CG-CG 3.89Å; I683-E696 PolarHBondContact N-O 3.25Å; S684-E696 PolarHBondContact N-O 3.13Å; S684-E696 PolarHBondContact O-N 3Å; R694-E696 HydrophobicContact CG-CG 4.24Å |
| 697 | A | 98.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 160.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V593 L594 F680 R681 I682 I695 | V593-A697 VanDerWaalsContact CG2-O 3.27Å; V593-A697 WeakPolarHBondContact CG2-O 3.41Å; L594-A697 HydrophobicContact CD1-CB 3.89Å; L594-A697 HydrophobicContact CD2-CB 4.31Å; L594-A697 HydrophobicContact CG-CB 3.96Å; L594-A697 PolarHBondContact N-O 3.08Å; L594-A697 PolarHBondContact O-N 3.35Å; F680-A697 HydrophobicContact CD2-CB 4.18Å; F680-A697 HydrophobicContact CE2-CB 3.38Å; F680-A697 HydrophobicContact CZ-CB 3.61Å; R681-A697 CarbonylContact O-C 3.58Å; R681-A697 WeakPolarHBondContact O-CA 3.33Å; R681-A697 VanDerWaalsContact O-CB 3.23Å; R681-A697 WeakPolarHBondContact O-CB 3.48Å; I682-A697 HydrophobicContact CG1-CB 4.32Å; I695-A697 HydrophobicContact CG2-CB 4.39Å |
| 698 | V | 98.5 | Very high | 91.1 | Very high | 9 Ų | 9 | 44.1 Ų | 44.1 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 154.6 | 178.7 | -72.2 | 0 | 0 | 0 | 0 | 110.6 | K592 V593 R681 I683 A703 T706 | K592-V698 WeakPolarHBondContact O-CG1 3.17Å; V593-V698 HydrophobicContact CG2-CG1 4.44Å; R681-V698 HydrophobicContact CB-CG2 4.24Å; R681-V698 PolarHBondContact N-O 2.64Å; R681-V698 PolarHBondContact O-N 3.3Å; I683-V698 HydrophobicContact CD1-CB 4.16Å; I683-V698 HydrophobicContact CD1-CG1 3.36Å; I683-V698 HydrophobicContact CD1-CG2 3.73Å; I683-V698 HydrophobicContact CG1-CG1 4.3Å; I683-V698 HydrophobicContact CG1-CG2 3.94Å; V698-A703 HydrophobicContact CB-CB 4.47Å; V698-A703 HydrophobicContact CG2-CB 3.89Å; V698-T706 HydrophobicContact CG2-CG2 4.04Å |
| 699 | T | 98.7 | Very high | 92.4 | Very high | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.055 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 166.6 | 178.3 | 65.8 | 0 | 0 | 0 | 0 | 112.8 | L562 N563 A566 L594 I677 L679 F680 E701 G702 A703 | L562-T699 VanDerWaalsContact CB-OG1 3.3Å; L562-T699 WeakPolarHBondContact CB-OG1 3.28Å; N563-T699 WeakPolarHBondContact OD1-CB 3.39Å; N563-T699 WeakPolarHBondContact OD1-CG2 3.46Å; N563-T699 PolarHBondContact OD1-N 2.84Å; N563-T699 PolarHBondContact OD1-OG1 3.31Å; A566-T699 HydrophobicContact CB-CG2 3.43Å; A566-T699 VanDerWaalsContact CB-CG2 3.43Å; L594-T699 HydrophobicContact CD2-CG2 4.09Å; I677-T699 HydrophobicContact CG2-CG2 3.69Å; L679-T699 CarbonylContact O-C 3.59Å; L679-T699 WeakPolarHBondContact O-CA 3.49Å; F680-T699 HydrophobicContact CD2-CG2 4.16Å; T699-E701 PolarHBondContact O-N 3.29Å; T699-G702 PolarHBondContact O-N 3.01Å; T699-G702 VanDerWaalsContact O-N 3.1Å; T699-A703 PolarHBondContact O-N 2.88Å; T699-A703 VanDerWaalsContact O-N 3.14Å |
| 700 | G | 97.4 | Very high | 93.9 | Very high | 10 Ų | 10 | 42.6 Ų | 42.6 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | 52.7 | -131.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | I677 L679 G702 A703 I704 | I677-G700 WeakPolarHBondContact O-CA 3.31Å; I677-G700 PolarHBondContact O-N 2.95Å; L679-G700 PolarHBondContact O-N 3.23Å; G700-G702 VanDerWaalsContact C-N 3.27Å; G700-G702 PolarHBondContact O-N 3.4Å; G700-A703 PolarHBondContact O-N 2.65Å; G700-A703 VanDerWaalsContact O-N 3.16Å; G700-I704 WeakPolarHBondContact O-CG1 3.16Å; G700-I704 PolarHBondContact O-N 3.48Å |
| 701 | E | 95.9 | Very high | 95.1 | Very high | 155 Ų | 155 | 43.9 Ų | 43.9 | 72% | 0.724 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -59.2 | -35.8 | 178.5 | -66 | -178.6 | 170.4 | 0 | 0 | 112.9 | T699 A703 I704 A705 | T699-E701 PolarHBondContact O-N 3.29Å; E701-A703 VanDerWaalsContact C-N 3.33Å; E701-A703 PolarHBondContact O-N 3.34Å; E701-I704 PolarHBondContact O-N 3.1Å; E701-A705 WeakPolarHBondContact O-CB 3.37Å; E701-A705 PolarHBondContact O-N 2.8Å |
| 702 | G | 95.9 | Very high | 96.1 | Very high | 33 Ų | 33 | 48.4 Ų | 48.4 | 34% | 0.34 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T699 G700 A705 T706 | T699-G702 PolarHBondContact O-N 3.01Å; T699-G702 VanDerWaalsContact O-N 3.1Å; G700-G702 VanDerWaalsContact C-N 3.27Å; G700-G702 PolarHBondContact O-N 3.4Å; G702-A705 PolarHBondContact O-N 3.15Å; G702-T706 WeakPolarHBondContact O-CG2 3.36Å; G702-T706 PolarHBondContact O-N 3.36Å |
| 703 | A | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | L679 R681 V698 T699 G700 E701 A705 T706 V707 | L679-A703 HydrophobicContact CB-CB 3.99Å; L679-A703 HydrophobicContact CD2-CB 3.84Å; L679-A703 HydrophobicContact CG-CB 3.79Å; L679-A703 WeakPolarHBondContact O-CB 3.41Å; R681-A703 HydrophobicContact CB-CB 4.26Å; V698-A703 HydrophobicContact CB-CB 4.47Å; V698-A703 HydrophobicContact CG2-CB 3.89Å; T699-A703 PolarHBondContact O-N 2.88Å; T699-A703 VanDerWaalsContact O-N 3.14Å; G700-A703 PolarHBondContact O-N 2.65Å; G700-A703 VanDerWaalsContact O-N 3.16Å; E701-A703 VanDerWaalsContact C-N 3.33Å; E701-A703 PolarHBondContact O-N 3.34Å; A703-A705 VanDerWaalsContact C-N 3.31Å; A703-A705 PolarHBondContact O-N 2.89Å; A703-T706 PolarHBondContact O-N 3.45Å; A703-T706 PolarHBondContact O-OG1 2.78Å; A703-V707 PolarHBondContact O-N 3.14Å |
| 704 | I | 97.8 | Very high | 96.8 | Very high | 81 Ų | 81 | 57.4 Ų | 57.4 | 42% | 0.415 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 176.6 | -65.4 | 166.9 | 0 | 0 | 0 | 110.9 | G700 E701 T706 V707 H708 | G700-I704 WeakPolarHBondContact O-CG1 3.16Å; G700-I704 PolarHBondContact O-N 3.48Å; E701-I704 PolarHBondContact O-N 3.1Å; I704-T706 VanDerWaalsContact C-N 3.3Å; I704-T706 PolarHBondContact O-N 2.83Å; I704-V707 PolarHBondContact O-N 3.01Å; I704-V707 VanDerWaalsContact O-N 3.11Å; I704-H708 PolarHBondContact O-N 3.2Å |
| 705 | A | 97.4 | Very high | 96.8 | Very high | 57 Ų | 57 | 58.3 Ų | 58.3 | 47% | 0.471 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.9 | -38.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E701 G702 A703 H708 A709 | E701-A705 WeakPolarHBondContact O-CB 3.37Å; E701-A705 PolarHBondContact O-N 2.8Å; G702-A705 PolarHBondContact O-N 3.15Å; A703-A705 VanDerWaalsContact C-N 3.31Å; A703-A705 PolarHBondContact O-N 2.89Å; A705-H708 PolarHBondContact O-N 3.38Å; A705-A709 WeakPolarHBondContact O-CB 3.43Å; A705-A709 PolarHBondContact O-N 2.6Å |
| 706 | T | 96.8 | Very high | 96.7 | Very high | 34 Ų | 34 | 64.5 Ų | 64.5 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 174.5 | 66.3 | 0 | 0 | 0 | 0 | 112.8 | R681 I683 V698 G702 A703 I704 A709 D710 | R681-T706 PolarHBondContact NH1-OG1 2.86Å; I683-T706 HydrophobicContact CD1-CG2 4.16Å; V698-T706 HydrophobicContact CG2-CG2 4.04Å; G702-T706 WeakPolarHBondContact O-CG2 3.36Å; G702-T706 PolarHBondContact O-N 3.36Å; A703-T706 PolarHBondContact O-N 3.45Å; A703-T706 PolarHBondContact O-OG1 2.78Å; I704-T706 VanDerWaalsContact C-N 3.3Å; I704-T706 PolarHBondContact O-N 2.83Å; T706-A709 PolarHBondContact O-N 2.95Å; T706-D710 VanDerWaalsContact O-CG 3.3Å; T706-D710 PolarHBondContact O-N 3.3Å |
| 707 | V | 97.1 | Very high | 96.5 | Very high | 65 Ų | 65 | 64.5 Ų | 64.5 | 39% | 0.394 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 177.3 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | L679 A703 I704 D710 S711 | L679-V707 HydrophobicContact CD2-CG2 4.05Å; A703-V707 PolarHBondContact O-N 3.14Å; I704-V707 PolarHBondContact O-N 3.01Å; I704-V707 VanDerWaalsContact O-N 3.11Å; V707-D710 PolarHBondContact O-N 2.87Å; V707-S711 WeakPolarHBondContact O-CB 3.35Å; V707-S711 PolarHBondContact O-N 2.62Å |
| 708 | H | 97.7 | Very high | 96.3 | Very high | 116 Ų | 116 | 64.8 Ų | 64.8 | 54% | 0.537 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 174.6 | -66.6 | 165.3 | 0 | 0 | 0 | 111.6 | I704 A705 D710 S711 D712 | I704-H708 PolarHBondContact O-N 3.2Å; A705-H708 PolarHBondContact O-N 3.38Å; H708-D710 VanDerWaalsContact C-N 3.32Å; H708-D710 PolarHBondContact O-N 2.83Å; H708-S711 WeakPolarHBondContact O-CB 3.25Å; H708-S711 PolarHBondContact O-N 2.89Å; H708-S711 VanDerWaalsContact O-N 3.13Å; H708-D712 VanDerWaalsContact O-CG 3.3Å; H708-D712 PolarHBondContact O-N 2.89Å |
| 709 | A | 96.7 | Very high | 96.1 | Very high | 36 Ų | 36 | 71.8 Ų | 71.8 | 30% | 0.298 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.2 | -39.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | A705 T706 R713 | A705-A709 WeakPolarHBondContact O-CB 3.43Å; A705-A709 PolarHBondContact O-N 2.6Å; T706-A709 PolarHBondContact O-N 2.95Å; A709-R713 WeakPolarHBondContact O-CD 3.36Å; A709-R713 VanDerWaalsContact O-CG 3.26Å; A709-R713 WeakPolarHBondContact O-CG 3.29Å; A709-R713 PolarHBondContact O-N 2.9Å; A709-R713 VanDerWaalsContact O-N 3.1Å |
| 710 | D | 95 | Very high | 96 | Very high | 51 Ų | 51 | 77.7 Ų | 77.7 | 27% | 0.273 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.5 | -39.9 | 175.3 | -69.2 | -23.4 | 0 | 0 | 0 | 112 | R681 T706 V707 H708 R713 L714 | R681-D710 IonicContact CZ-OD2 3.56Å; R681-D710 IonicContact NH1-OD2 3.03Å; R681-D710 PolarHBondContact NH1-OD2 3.44Å; R681-D710 IonicContact NH2-OD2 3.65Å; R681-D710 PolarHBondContact NH2-OD2 3.13Å; T706-D710 VanDerWaalsContact O-CG 3.3Å; T706-D710 PolarHBondContact O-N 3.3Å; V707-D710 PolarHBondContact O-N 2.87Å; H708-D710 VanDerWaalsContact C-N 3.32Å; H708-D710 PolarHBondContact O-N 2.83Å; D710-R713 PolarHBondContact O-N 3.37Å; D710-R713 IonicContact OD1-NH1 3.69Å; D710-L714 WeakPolarHBondContact O-CB 3.4Å; D710-L714 WeakPolarHBondContact O-CG 3.28Å; D710-L714 PolarHBondContact O-N 3.39Å |
| 711 | S | 95.5 | Very high | 95.8 | Very high | 71 Ų | 71 | 79 Ų | 79 | 50% | 0.497 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62 | -43 | 175.2 | -176.1 | 0 | 0 | 0 | 0 | 111.8 | V707 H708 L714 S715 | V707-S711 WeakPolarHBondContact O-CB 3.35Å; V707-S711 PolarHBondContact O-N 2.62Å; H708-S711 WeakPolarHBondContact O-CB 3.25Å; H708-S711 PolarHBondContact O-N 2.89Å; H708-S711 VanDerWaalsContact O-N 3.13Å; S711-L714 PolarHBondContact O-N 3.4Å; S711-S715 WeakPolarHBondContact O-CB 3.47Å; S711-S715 PolarHBondContact O-N 2.78Å |
| 712 | D | 96.4 | Very high | 95.7 | Very high | 109 Ų | 109 | 80.2 Ų | 80.2 | 58% | 0.583 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.5 | -44.2 | 178.6 | -70.5 | -20.2 | 0 | 0 | 0 | 111.2 | H708 S715 E716 | H708-D712 VanDerWaalsContact O-CG 3.3Å; H708-D712 PolarHBondContact O-N 2.89Å; D712-S715 WeakPolarHBondContact O-CB 3.42Å; D712-S715 PolarHBondContact O-N 2.81Å; D712-E716 WeakPolarHBondContact O-CB 3.46Å; D712-E716 PolarHBondContact O-N 2.75Å |
| 713 | R | 95.2 | Very high | 95.5 | Very high | 157 Ų | 157 | 79.9 Ų | 79.9 | 59% | 0.592 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.2 | -45.1 | 174.6 | -72 | 166.6 | -179 | 167.7 | -1.9 | 112 | A709 D710 S715 E716 V717 | A709-R713 WeakPolarHBondContact O-CD 3.36Å; A709-R713 VanDerWaalsContact O-CG 3.26Å; A709-R713 WeakPolarHBondContact O-CG 3.29Å; A709-R713 PolarHBondContact O-N 2.9Å; A709-R713 VanDerWaalsContact O-N 3.1Å; D710-R713 PolarHBondContact O-N 3.37Å; D710-R713 IonicContact OD1-NH1 3.69Å; R713-S715 VanDerWaalsContact C-N 3.31Å; R713-S715 PolarHBondContact O-N 2.91Å; R713-E716 PolarHBondContact O-N 2.9Å; R713-V717 WeakPolarHBondContact O-CG2 3.43Å; R713-V717 PolarHBondContact O-N 3.39Å |
| 714 | L | 94 | Very high | 95.2 | Very high | 93 Ų | 93 | 83.2 Ų | 83.2 | 49% | 0.487 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 177 | -75.6 | 171.2 | 0 | 0 | 0 | 111.5 | D710 S711 A718 L728 | D710-L714 WeakPolarHBondContact O-CB 3.4Å; D710-L714 WeakPolarHBondContact O-CG 3.28Å; D710-L714 PolarHBondContact O-N 3.39Å; S711-L714 PolarHBondContact O-N 3.4Å; L714-A718 VanDerWaalsContact O-CB 3.27Å; L714-A718 WeakPolarHBondContact O-CB 3.3Å; L714-A718 PolarHBondContact O-N 3.03Å; L714-L728 HydrophobicContact CD2-CD2 3.93Å |
| 715 | S | 94.4 | Very high | 94.6 | Very high | 76 Ų | 76 | 83.5 Ų | 83.5 | 53% | 0.531 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 175.9 | -171 | 0 | 0 | 0 | 0 | 112.1 | S711 D712 R713 A718 H719 | S711-S715 WeakPolarHBondContact O-CB 3.47Å; S711-S715 PolarHBondContact O-N 2.78Å; D712-S715 WeakPolarHBondContact O-CB 3.42Å; D712-S715 PolarHBondContact O-N 2.81Å; R713-S715 VanDerWaalsContact C-N 3.31Å; R713-S715 PolarHBondContact O-N 2.91Å; S715-A718 PolarHBondContact O-N 2.74Å; S715-H719 WeakPolarHBondContact O-CB 3.49Å; S715-H719 PolarHBondContact O-N 2.99Å |
| 716 | E | 95.5 | Very high | 94.3 | Very high | 130 Ų | 130 | 87.9 Ų | 87.9 | 61% | 0.607 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.5 | -48.4 | 176.1 | -175.4 | -179.9 | -169.3 | 0 | 0 | 111.7 | D712 R713 A718 H719 L720 | D712-E716 WeakPolarHBondContact O-CB 3.46Å; D712-E716 PolarHBondContact O-N 2.75Å; R713-E716 PolarHBondContact O-N 2.9Å; E716-A718 PolarHBondContact O-N 3.36Å; E716-H719 WeakPolarHBondContact O-CB 3.48Å; E716-H719 PolarHBondContact O-N 3.15Å; E716-L720 WeakPolarHBondContact O-CG 3.19Å; E716-L720 PolarHBondContact O-N 3.43Å |
| 717 | V | 94.7 | Very high | 94.2 | Very high | 62 Ų | 62 | 88.5 Ų | 88.5 | 38% | 0.376 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 177.4 | -176.8 | 0 | 0 | 0 | 0 | 111 | R713 H719 L720 L721 L728 | R713-V717 WeakPolarHBondContact O-CG2 3.43Å; R713-V717 PolarHBondContact O-N 3.39Å; V717-H719 VanDerWaalsContact C-N 3.27Å; V717-H719 PolarHBondContact O-N 3.44Å; V717-L720 PolarHBondContact O-N 3.39Å; V717-L721 HydrophobicContact CG1-CD1 3.97Å; V717-L721 WeakPolarHBondContact O-CB 3.2Å; V717-L721 WeakPolarHBondContact O-CG 3.37Å; V717-L721 PolarHBondContact O-N 2.9Å; V717-L721 VanDerWaalsContact O-N 3.07Å; V717-L728 HydrophobicContact CB-CD1 4.43Å; V717-L728 HydrophobicContact CB-CD2 4.48Å; V717-L728 HydrophobicContact CG1-CD1 3.94Å; V717-L728 HydrophobicContact CG1-CD2 4.33Å; V717-L728 HydrophobicContact CG1-CG 4.48Å |
| 718 | A | 94.4 | Very high | 93.9 | Very high | 7 Ų | 7 | 86.5 Ų | 86.5 | 6% | 0.058 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -59.8 | -40 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L714 S715 E716 L721 K722 G723 L728 | L714-A718 VanDerWaalsContact O-CB 3.27Å; L714-A718 WeakPolarHBondContact O-CB 3.3Å; L714-A718 PolarHBondContact O-N 3.03Å; S715-A718 PolarHBondContact O-N 2.74Å; E716-A718 PolarHBondContact O-N 3.36Å; A718-L721 CarbonylContact O-C 3.56Å; A718-L721 PolarHBondContact O-N 2.69Å; A718-K722 PolarHBondContact O-N 2.8Å; A718-G723 PolarHBondContact O-N 2.92Å; A718-L728 HydrophobicContact CB-CD1 3.99Å |
| 719 | H | 94.3 | Very high | 93.7 | Very high | 156 Ų | 156 | 84 Ų | 84 | 72% | 0.722 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.3 | -46.4 | 176.5 | -168.7 | 64.4 | 0 | 0 | 0 | 112.5 | S715 E716 V717 L721 K722 | S715-H719 WeakPolarHBondContact O-CB 3.49Å; S715-H719 PolarHBondContact O-N 2.99Å; E716-H719 WeakPolarHBondContact O-CB 3.48Å; E716-H719 PolarHBondContact O-N 3.15Å; V717-H719 VanDerWaalsContact C-N 3.27Å; V717-H719 PolarHBondContact O-N 3.44Å; H719-L721 PolarHBondContact O-N 3.03Å; H719-K722 PolarHBondContact O-N 3Å |
| 720 | L | 95.4 | Very high | 93.6 | Very high | 133 Ų | 133 | 86.9 Ų | 86.9 | 70% | 0.696 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -56.2 | -38 | 176 | -72.8 | 172.5 | 0 | 0 | 0 | 112.1 | E716 V717 | E716-L720 WeakPolarHBondContact O-CG 3.19Å; E716-L720 PolarHBondContact O-N 3.43Å; V717-L720 PolarHBondContact O-N 3.39Å |
| 721 | L | 94.5 | Very high | 93.6 | Very high | 38 Ų | 38 | 87.9 Ų | 87.9 | 20% | 0.199 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 3 | -179 | -66.7 | 176.3 | 0 | 0 | 0 | 113.9 | V717 A718 H719 G723 L728 K731 V732 V735 | V717-L721 HydrophobicContact CG1-CD1 3.97Å; V717-L721 WeakPolarHBondContact O-CB 3.2Å; V717-L721 WeakPolarHBondContact O-CG 3.37Å; V717-L721 PolarHBondContact O-N 2.9Å; V717-L721 VanDerWaalsContact O-N 3.07Å; A718-L721 CarbonylContact O-C 3.56Å; A718-L721 PolarHBondContact O-N 2.69Å; H719-L721 PolarHBondContact O-N 3.03Å; L721-G723 VanDerWaalsContact C-N 3.26Å; L721-G723 PolarHBondContact O-N 3.1Å; L721-L728 HydrophobicContact CD1-CD1 3.85Å; L721-K731 HydrophobicContact CB-CB 3.91Å; L721-K731 HydrophobicContact CB-CG 4.49Å; L721-K731 HydrophobicContact CD1-CB 4.14Å; L721-V732 HydrophobicContact CD1-CB 4.49Å; L721-V732 HydrophobicContact CD1-CG2 3.43Å; L721-V732 VanDerWaalsContact CD1-CG2 3.43Å; L721-V735 HydrophobicContact CD2-CG2 3.65Å |
| 722 | K | 93.2 | Very high | 93.6 | Very high | 180 Ų | 180 | 87.3 Ų | 87.3 | 78% | 0.783 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 49.9 | -175.1 | -56 | 178.9 | -178.6 | 179 | 0 | 111.3 | A718 H719 K731 | A718-K722 PolarHBondContact O-N 2.8Å; H719-K722 PolarHBondContact O-N 3Å; K722-K731 WeakPolarHBondContact O-CE 3.29Å; K722-K731 PolarHBondContact O-NZ 3.01Å |
| 723 | G | 91.4 | Very high | 93.6 | Very high | 25 Ų | 25 | 89.7 Ų | 89.7 | 26% | 0.258 | 47% | 0.465 | S | S | . | . | trans | -132.7 | -163.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A718 L721 N727 | A718-G723 PolarHBondContact O-N 2.92Å; L721-G723 VanDerWaalsContact C-N 3.26Å; L721-G723 PolarHBondContact O-N 3.1Å; G723-N727 VanDerWaalsContact CA-OD1 3.25Å; G723-N727 WeakPolarHBondContact CA-OD1 3.16Å | ||
| 724 | D | 91.6 | Very high | 93.6 | Very high | 71 Ų | 71 | 85.5 Ų | 85.5 | 38% | 0.38 | 46% | 0.46 | S | S | . | . | trans | -134.5 | 176 | 174.1 | 59.3 | 58.1 | 0 | 0 | 0 | 109.5 | N726 N727 L728 | D724-N726 PolarHBondContact O-N 3.37Å; D724-N726 WeakPolarHBondContact OD1-CA 3.47Å; D724-N726 VanDerWaalsContact OD1-CB 3.31Å; D724-N726 WeakPolarHBondContact OD1-CB 3.46Å; D724-N726 PolarHBondContact OD1-N 3.32Å; D724-N727 VanDerWaalsContact CG-ND2 3.34Å; D724-N727 PolarHBondContact N-OD1 2.97Å; D724-N727 PolarHBondContact O-N 3.41Å; D724-N727 PolarHBondContact O-OD1 2.82Å; D724-N727 PolarHBondContact OD1-N 2.87Å; D724-N727 PolarHBondContact OD1-ND2 2.9Å; D724-N727 PolarHBondContact OD2-ND2 3.18Å; D724-L728 WeakPolarHBondContact O-CB 3.46Å; D724-L728 PolarHBondContact O-N 3.21Å | ||
| 725 | S | 85.8 | Confident | 93.7 | Very high | 86 Ų | 86 | 84.6 Ų | 84.6 | 60% | 0.601 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -26.4 | -178.4 | 57.9 | 0 | 0 | 0 | 0 | 114 | ||
| 726 | N | 91.4 | Very high | 93.8 | Very high | 149 Ų | 149 | 85.6 Ų | 85.6 | 80% | 0.797 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -35 | -176.4 | -59.7 | -44.6 | 0 | 0 | 0 | 112.1 | D724 | D724-N726 PolarHBondContact O-N 3.37Å; D724-N726 WeakPolarHBondContact OD1-CA 3.47Å; D724-N726 VanDerWaalsContact OD1-CB 3.31Å; D724-N726 WeakPolarHBondContact OD1-CB 3.46Å; D724-N726 PolarHBondContact OD1-N 3.32Å |
| 727 | N | 93.1 | Very high | 93.9 | Very high | 48 Ų | 48 | 85.5 Ų | 85.5 | 26% | 0.257 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 3.8 | -179.6 | 64.9 | 39.2 | 0 | 0 | 0 | 114.2 | G723 D724 A729 D730 K731 | G723-N727 VanDerWaalsContact CA-OD1 3.25Å; G723-N727 WeakPolarHBondContact CA-OD1 3.16Å; D724-N727 VanDerWaalsContact CG-ND2 3.34Å; D724-N727 PolarHBondContact N-OD1 2.97Å; D724-N727 PolarHBondContact O-N 3.41Å; D724-N727 PolarHBondContact O-OD1 2.82Å; D724-N727 PolarHBondContact OD1-N 2.87Å; D724-N727 PolarHBondContact OD1-ND2 2.9Å; D724-N727 PolarHBondContact OD2-ND2 3.18Å; N727-A729 VanDerWaalsContact C-N 3.33Å; N727-A729 PolarHBondContact O-N 2.86Å; N727-D730 PolarHBondContact O-N 3.35Å; N727-D730 VanDerWaalsContact O-N 3.08Å; N727-K731 WeakPolarHBondContact O-CG 3.23Å; N727-K731 PolarHBondContact O-N 3.08Å |
| 728 | L | 91.8 | Very high | 93.9 | Very high | 23 Ų | 23 | 88.8 Ų | 88.8 | 12% | 0.12 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -53.2 | -47.2 | -174.6 | -169 | 60.3 | 0 | 0 | 0 | 113.2 | L714 V717 A718 L721 D724 D730 K731 V732 | L714-L728 HydrophobicContact CD2-CD2 3.93Å; V717-L728 HydrophobicContact CB-CD1 4.43Å; V717-L728 HydrophobicContact CB-CD2 4.48Å; V717-L728 HydrophobicContact CG1-CD1 3.94Å; V717-L728 HydrophobicContact CG1-CD2 4.33Å; V717-L728 HydrophobicContact CG1-CG 4.48Å; A718-L728 HydrophobicContact CB-CD1 3.99Å; L721-L728 HydrophobicContact CD1-CD1 3.85Å; D724-L728 WeakPolarHBondContact O-CB 3.46Å; D724-L728 PolarHBondContact O-N 3.21Å; L728-D730 VanDerWaalsContact C-N 3.32Å; L728-D730 PolarHBondContact O-N 3.49Å; L728-K731 WeakPolarHBondContact O-CB 3.13Å; L728-K731 PolarHBondContact O-N 3.07Å; L728-V732 WeakPolarHBondContact O-CG2 3.49Å; L728-V732 PolarHBondContact O-N 3.33Å |
| 729 | A | 93.5 | Very high | 94.1 | Very high | 62 Ų | 62 | 91.6 Ų | 91.6 | 51% | 0.512 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | N727 V732 R733 | N727-A729 VanDerWaalsContact C-N 3.33Å; N727-A729 PolarHBondContact O-N 2.86Å; A729-V732 PolarHBondContact O-N 2.86Å; A729-R733 WeakPolarHBondContact O-CG 3.46Å; A729-R733 PolarHBondContact O-N 3.26Å |
| 730 | D | 95.2 | Very high | 94.2 | Very high | 97 Ų | 97 | 92.5 Ų | 92.5 | 52% | 0.519 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.8 | -35.8 | 177.6 | -66 | -32.2 | 0 | 0 | 0 | 111.4 | N727 L728 R733 S734 | N727-D730 PolarHBondContact O-N 3.35Å; N727-D730 VanDerWaalsContact O-N 3.08Å; L728-D730 VanDerWaalsContact C-N 3.32Å; L728-D730 PolarHBondContact O-N 3.49Å; D730-R733 PolarHBondContact O-N 3.43Å; D730-R733 IonicContact OD1-NH1 3.22Å; D730-S734 WeakPolarHBondContact O-CB 3.46Å; D730-S734 PolarHBondContact O-N 3.08Å |
| 731 | K | 94.5 | Very high | 94.3 | Very high | 73 Ų | 73 | 90 Ų | 90 | 32% | 0.317 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 172.2 | -66.2 | -71.9 | -176.1 | 155.9 | 0 | 112 | L721 K722 N727 L728 S734 V735 | L721-K731 HydrophobicContact CB-CB 3.91Å; L721-K731 HydrophobicContact CB-CG 4.49Å; L721-K731 HydrophobicContact CD1-CB 4.14Å; K722-K731 WeakPolarHBondContact O-CE 3.29Å; K722-K731 PolarHBondContact O-NZ 3.01Å; N727-K731 WeakPolarHBondContact O-CG 3.23Å; N727-K731 PolarHBondContact O-N 3.08Å; L728-K731 WeakPolarHBondContact O-CB 3.13Å; L728-K731 PolarHBondContact O-N 3.07Å; K731-S734 PolarHBondContact O-N 3.39Å; K731-V735 WeakPolarHBondContact O-CG2 3.05Å; K731-V735 PolarHBondContact O-N 3.02Å |
| 732 | V | 95.3 | Very high | 94.4 | Very high | 59 Ų | 59 | 92.1 Ų | 92.1 | 36% | 0.358 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60 | -46.9 | 175 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | L721 L728 A729 S734 V735 L736 | L721-V732 HydrophobicContact CD1-CB 4.49Å; L721-V732 HydrophobicContact CD1-CG2 3.43Å; L721-V732 VanDerWaalsContact CD1-CG2 3.43Å; L728-V732 WeakPolarHBondContact O-CG2 3.49Å; L728-V732 PolarHBondContact O-N 3.33Å; A729-V732 PolarHBondContact O-N 2.86Å; V732-S734 VanDerWaalsContact C-N 3.34Å; V732-S734 PolarHBondContact O-N 3.4Å; V732-V735 PolarHBondContact O-N 2.75Å; V732-L736 HydrophobicContact CG1-CD1 4.05Å; V732-L736 WeakPolarHBondContact O-CG 3.3Å; V732-L736 PolarHBondContact O-N 2.89Å |
| 733 | R | 96 | Very high | 94.5 | Very high | 158 Ų | 158 | 89.4 Ų | 89.4 | 60% | 0.596 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58.2 | -45.5 | 176.3 | -73.6 | 175 | -176.9 | 169.1 | -1.5 | 111.9 | A729 D730 V735 L736 E737 | A729-R733 WeakPolarHBondContact O-CG 3.46Å; A729-R733 PolarHBondContact O-N 3.26Å; D730-R733 PolarHBondContact O-N 3.43Å; D730-R733 IonicContact OD1-NH1 3.22Å; R733-V735 PolarHBondContact O-N 3.4Å; R733-L736 PolarHBondContact O-N 3.06Å; R733-E737 WeakPolarHBondContact O-CG 3.22Å; R733-E737 PolarHBondContact O-N 3.38Å |
| 734 | S | 95.3 | Very high | 94.7 | Very high | 69 Ų | 69 | 94 Ų | 94 | 48% | 0.483 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 178.8 | -178 | 0 | 0 | 0 | 0 | 112.7 | D730 K731 V732 E737 R738 | D730-S734 WeakPolarHBondContact O-CB 3.46Å; D730-S734 PolarHBondContact O-N 3.08Å; K731-S734 PolarHBondContact O-N 3.39Å; V732-S734 VanDerWaalsContact C-N 3.34Å; V732-S734 PolarHBondContact O-N 3.4Å; S734-E737 PolarHBondContact O-N 3.29Å; S734-R738 VanDerWaalsContact O-CB 3.31Å; S734-R738 WeakPolarHBondContact O-CB 3.5Å; S734-R738 PolarHBondContact O-N 3.17Å |
| 735 | V | 96 | Very high | 94.8 | Very high | 74 Ų | 74 | 93.6 Ų | 93.6 | 45% | 0.448 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 174.2 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | L721 K731 V732 R733 E737 R738 T739 | L721-V735 HydrophobicContact CD2-CG2 3.65Å; K731-V735 WeakPolarHBondContact O-CG2 3.05Å; K731-V735 PolarHBondContact O-N 3.02Å; V732-V735 PolarHBondContact O-N 2.75Å; R733-V735 PolarHBondContact O-N 3.4Å; V735-E737 PolarHBondContact O-N 2.96Å; V735-R738 PolarHBondContact O-N 3.17Å; V735-T739 PolarHBondContact O-N 3.04Å; V735-T739 PolarHBondContact O-OG1 3.46Å |
| 736 | L | 96.7 | Very high | 95.1 | Very high | 97 Ų | 97 | 94.1 Ų | 94.1 | 51% | 0.508 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 177.9 | -71.3 | 171.4 | 0 | 0 | 0 | 112.4 | V732 R733 T739 R740 | V732-L736 HydrophobicContact CG1-CD1 4.05Å; V732-L736 WeakPolarHBondContact O-CG 3.3Å; V732-L736 PolarHBondContact O-N 2.89Å; R733-L736 PolarHBondContact O-N 3.06Å; L736-T739 PolarHBondContact O-N 3.2Å; L736-R740 WeakPolarHBondContact O-CG 3.44Å; L736-R740 PolarHBondContact O-N 3.1Å |
| 737 | E | 96.8 | Very high | 94.9 | Very high | 129 Ų | 129 | 90.9 Ų | 90.9 | 60% | 0.603 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.8 | -42.5 | 175.1 | -73.7 | 175.9 | 173.1 | 0 | 0 | 111.7 | R733 S734 V735 T739 R740 Q741 | R733-E737 WeakPolarHBondContact O-CG 3.22Å; R733-E737 PolarHBondContact O-N 3.38Å; S734-E737 PolarHBondContact O-N 3.29Å; V735-E737 PolarHBondContact O-N 2.96Å; E737-T739 PolarHBondContact O-N 3.15Å; E737-R740 PolarHBondContact O-N 3.36Å; E737-Q741 WeakPolarHBondContact O-CB 3.21Å; E737-Q741 PolarHBondContact O-N 2.71Å |
| 738 | R | 96 | Very high | 94.7 | Very high | 131 Ų | 131 | 93 Ų | 93 | 49% | 0.494 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64 | -40.3 | 177.1 | -173.9 | 59.1 | 176.7 | 161.3 | 5.6 | 111.8 | S734 V735 Q741 L742 E745 | S734-R738 VanDerWaalsContact O-CB 3.31Å; S734-R738 WeakPolarHBondContact O-CB 3.5Å; S734-R738 PolarHBondContact O-N 3.17Å; V735-R738 PolarHBondContact O-N 3.17Å; R738-Q741 PolarHBondContact O-N 2.98Å; R738-L742 HydrophobicContact CG-CD1 4.06Å; R738-L742 HydrophobicContact CG-CG 4.38Å; R738-L742 WeakPolarHBondContact O-CB 3.46Å; R738-L742 VanDerWaalsContact O-CG 3.31Å; R738-L742 WeakPolarHBondContact O-CG 3.48Å; R738-L742 PolarHBondContact O-N 2.66Å; R738-E745 IonicContact NH1-OE1 3.38Å |
| 739 | T | 97.6 | Very high | 94.6 | Very high | 66 Ų | 66 | 97 Ų | 97 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.1 | -48.9 | 175.1 | -60.8 | 0 | 0 | 0 | 0 | 111 | V735 L736 E737 Q741 L742 E743 | V735-T739 PolarHBondContact O-N 3.04Å; V735-T739 PolarHBondContact O-OG1 3.46Å; L736-T739 PolarHBondContact O-N 3.2Å; E737-T739 PolarHBondContact O-N 3.15Å; T739-Q741 VanDerWaalsContact C-N 3.32Å; T739-Q741 PolarHBondContact O-N 3.46Å; T739-L742 PolarHBondContact O-N 2.78Å; T739-E743 WeakPolarHBondContact O-CG 3.26Å; T739-E743 PolarHBondContact O-N 2.87Å |
| 740 | R | 97.1 | Very high | 94.1 | Very high | 174 Ų | 174 | 98.1 Ų | 98.1 | 66% | 0.657 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.5 | -38.7 | 177.1 | -70.3 | 174.6 | -179.8 | 170.5 | 0.7 | 112.8 | L736 E737 K744 | L736-R740 WeakPolarHBondContact O-CG 3.44Å; L736-R740 PolarHBondContact O-N 3.1Å; E737-R740 PolarHBondContact O-N 3.36Å; R740-K744 PolarHBondContact O-N 2.79Å |
| 741 | Q | 96.7 | Very high | 93.5 | Very high | 82 Ų | 82 | 98 Ų | 98 | 38% | 0.383 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.8 | -42.4 | 177.4 | -179.5 | 59.1 | 26 | 0 | 0 | 111.7 | E737 R738 T739 K744 E745 | E737-Q741 WeakPolarHBondContact O-CB 3.21Å; E737-Q741 PolarHBondContact O-N 2.71Å; R738-Q741 PolarHBondContact O-N 2.98Å; T739-Q741 VanDerWaalsContact C-N 3.32Å; T739-Q741 PolarHBondContact O-N 3.46Å; Q741-K744 PolarHBondContact O-N 3.33Å; Q741-E745 WeakPolarHBondContact CG-OE1 3.24Å; Q741-E745 PolarHBondContact NE2-OE1 3.24Å; Q741-E745 WeakPolarHBondContact O-CG 3.45Å; Q741-E745 PolarHBondContact O-N 3.38Å |
| 742 | L | 97.1 | Very high | 93 | Very high | 81 Ų | 81 | 100.6 Ų | 100.6 | 42% | 0.424 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.6 | -38.6 | 176.3 | -74.2 | 171.5 | 0 | 0 | 0 | 112.1 | R738 T739 K744 E745 L746 | R738-L742 HydrophobicContact CG-CD1 4.06Å; R738-L742 HydrophobicContact CG-CG 4.38Å; R738-L742 WeakPolarHBondContact O-CB 3.46Å; R738-L742 VanDerWaalsContact O-CG 3.31Å; R738-L742 WeakPolarHBondContact O-CG 3.48Å; R738-L742 PolarHBondContact O-N 2.66Å; T739-L742 PolarHBondContact O-N 2.78Å; L742-K744 VanDerWaalsContact C-N 3.3Å; L742-K744 PolarHBondContact O-N 2.97Å; L742-E745 PolarHBondContact O-N 3.06Å; L742-L746 WeakPolarHBondContact O-CB 3.16Å; L742-L746 PolarHBondContact O-N 2.88Å |
| 743 | E | 95.3 | Very high | 92.4 | Very high | 123 Ų | 123 | 100.7 Ų | 100.7 | 58% | 0.575 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.6 | -41.7 | 173.3 | -74.2 | 171.8 | 168.7 | 0 | 0 | 111.6 | T739 Q747 | T739-E743 WeakPolarHBondContact O-CG 3.26Å; T739-E743 PolarHBondContact O-N 2.87Å; E743-Q747 PolarHBondContact O-N 3.21Å; E743-Q747 VanDerWaalsContact O-N 3.1Å |
| 744 | K | 95 | Very high | 91.4 | Very high | 122 Ų | 122 | 93.5 Ų | 93.5 | 53% | 0.53 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.3 | -44.3 | 177.3 | -172.3 | 179.5 | 178.5 | -177.9 | 0 | 112.6 | R740 Q741 L742 L746 Q747 Q748 | R740-K744 PolarHBondContact O-N 2.79Å; Q741-K744 PolarHBondContact O-N 3.33Å; L742-K744 VanDerWaalsContact C-N 3.3Å; L742-K744 PolarHBondContact O-N 2.97Å; K744-L746 VanDerWaalsContact C-N 3.34Å; K744-Q747 PolarHBondContact O-N 3.05Å; K744-Q748 WeakPolarHBondContact O-CG 3.45Å; K744-Q748 PolarHBondContact O-N 3.05Å |
| 745 | E | 94.9 | Very high | 90.6 | Very high | 63 Ų | 63 | 92.8 Ų | 92.8 | 29% | 0.294 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 175.9 | -75.9 | 172.1 | -162.6 | 0 | 0 | 111.2 | R738 Q741 L742 Q747 Q748 L749 | R738-E745 IonicContact NH1-OE1 3.38Å; Q741-E745 WeakPolarHBondContact CG-OE1 3.24Å; Q741-E745 PolarHBondContact NE2-OE1 3.24Å; Q741-E745 WeakPolarHBondContact O-CG 3.45Å; Q741-E745 PolarHBondContact O-N 3.38Å; L742-E745 PolarHBondContact O-N 3.06Å; E745-Q747 VanDerWaalsContact C-N 3.31Å; E745-Q747 PolarHBondContact O-N 3.37Å; E745-Q748 PolarHBondContact O-N 3.44Å; E745-L749 WeakPolarHBondContact O-CB 3.16Å; E745-L749 WeakPolarHBondContact O-CG 3.49Å; E745-L749 PolarHBondContact O-N 3.07Å |
| 746 | L | 91.5 | Very high | 89.9 | Confident | 97 Ų | 97 | 94.8 Ų | 94.8 | 51% | 0.508 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 175.9 | -177.1 | 66.9 | 0 | 0 | 0 | 111.4 | L742 K744 L749 K750 | L742-L746 WeakPolarHBondContact O-CB 3.16Å; L742-L746 PolarHBondContact O-N 2.88Å; K744-L746 VanDerWaalsContact C-N 3.34Å; L746-L749 PolarHBondContact O-N 2.89Å; L746-K750 WeakPolarHBondContact O-CG 3.43Å; L746-K750 PolarHBondContact O-N 3.25Å |
| 747 | Q | 88 | Confident | 89.1 | Confident | 81 Ų | 81 | 93.2 Ų | 93.2 | 38% | 0.379 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 176.7 | -176 | 58 | 31 | 0 | 0 | 111.9 | E743 K744 E745 L749 K750 E751 | E743-Q747 PolarHBondContact O-N 3.21Å; E743-Q747 VanDerWaalsContact O-N 3.1Å; K744-Q747 PolarHBondContact O-N 3.05Å; E745-Q747 VanDerWaalsContact C-N 3.31Å; E745-Q747 PolarHBondContact O-N 3.37Å; Q747-L749 PolarHBondContact O-N 2.88Å; Q747-K750 PolarHBondContact O-N 3.29Å; Q747-E751 PolarHBondContact NE2-OE1 2.68Å; Q747-E751 WeakPolarHBondContact O-CG 3.24Å; Q747-E751 PolarHBondContact O-N 2.76Å |
| 748 | Q | 89.7 | Confident | 88.2 | Confident | 93 Ų | 93 | 87.2 Ų | 87.2 | 44% | 0.435 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 177.2 | -72.4 | 179 | -15 | 0 | 0 | 112.5 | K744 E745 E751 Q752 | K744-Q748 WeakPolarHBondContact O-CG 3.45Å; K744-Q748 PolarHBondContact O-N 3.05Å; E745-Q748 PolarHBondContact O-N 3.44Å; Q748-E751 PolarHBondContact O-N 2.7Å; Q748-Q752 WeakPolarHBondContact O-CG 3.16Å; Q748-Q752 PolarHBondContact O-N 2.9Å |
| 749 | L | 89.4 | Confident | 87.4 | Confident | 107 Ų | 107 | 82.9 Ų | 82.9 | 56% | 0.56 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.5 | -39.5 | 176.8 | -74.3 | 172.2 | 0 | 0 | 0 | 111.8 | E745 L746 Q747 Q752 A753 | E745-L749 WeakPolarHBondContact O-CB 3.16Å; E745-L749 WeakPolarHBondContact O-CG 3.49Å; E745-L749 PolarHBondContact O-N 3.07Å; L746-L749 PolarHBondContact O-N 2.89Å; Q747-L749 PolarHBondContact O-N 2.88Å; L749-Q752 PolarHBondContact O-N 3.25Å; L749-A753 WeakPolarHBondContact O-CB 3.45Å; L749-A753 PolarHBondContact O-N 3.22Å |
| 750 | K | 82.7 | Confident | 86.7 | Confident | 85 Ų | 85 | 83.3 Ų | 83.3 | 37% | 0.37 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 173.9 | -76.5 | 177.6 | 177.3 | -174.3 | 0 | 112.1 | L746 Q747 A754 E782 | L746-K750 WeakPolarHBondContact O-CG 3.43Å; L746-K750 PolarHBondContact O-N 3.25Å; Q747-K750 PolarHBondContact O-N 3.29Å; K750-A754 WeakPolarHBondContact O-CB 3.44Å; K750-A754 PolarHBondContact O-N 3.33Å; K750-E782 IonicContact NZ-OE1 3.7Å; K750-E782 PolarHBondContact NZ-OE1 3.42Å |
| 751 | E | 81.7 | Confident | 86.2 | Confident | 93 Ų | 93 | 75 Ų | 75 | 44% | 0.435 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.6 | -44.2 | 176.8 | -74 | 169.3 | -166.5 | 0 | 0 | 112.1 | Q747 Q748 A754 A755 M785 | Q747-E751 PolarHBondContact NE2-OE1 2.68Å; Q747-E751 WeakPolarHBondContact O-CG 3.24Å; Q747-E751 PolarHBondContact O-N 2.76Å; Q748-E751 PolarHBondContact O-N 2.7Å; E751-A754 PolarHBondContact O-N 3.36Å; E751-A755 PolarHBondContact O-N 2.91Å; E751-M785 HydrophobicContact CG-CE 4.12Å |
| 752 | Q | 84 | Confident | 85.5 | Confident | 128 Ų | 128 | 72.7 Ų | 72.7 | 60% | 0.598 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.5 | -43.8 | 175.8 | -74 | 177.8 | -5.6 | 0 | 0 | 112.3 | Q748 L749 A754 A755 Q756 | Q748-Q752 WeakPolarHBondContact O-CG 3.16Å; Q748-Q752 PolarHBondContact O-N 2.9Å; L749-Q752 PolarHBondContact O-N 3.25Å; Q752-A754 VanDerWaalsContact C-N 3.34Å; Q752-A754 PolarHBondContact O-N 3.32Å; Q752-A755 PolarHBondContact O-N 2.9Å; Q752-Q756 WeakPolarHBondContact O-CB 3.42Å; Q752-Q756 PolarHBondContact O-N 3.15Å |
| 753 | A | 82.2 | Confident | 84.9 | Confident | 62 Ų | 62 | 73.6 Ų | 73.6 | 51% | 0.512 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L749 Q756 E757 | L749-A753 WeakPolarHBondContact O-CB 3.45Å; L749-A753 PolarHBondContact O-N 3.22Å; A753-Q756 PolarHBondContact O-N 2.8Å; A753-E757 WeakPolarHBondContact O-CB 3.45Å; A753-E757 PolarHBondContact O-N 2.95Å |
| 754 | A | 76 | Confident | 84.6 | Confident | 7 Ų | 7 | 73.5 Ų | 73.5 | 6% | 0.058 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K750 E751 Q752 S758 M785 | K750-A754 WeakPolarHBondContact O-CB 3.44Å; K750-A754 PolarHBondContact O-N 3.33Å; E751-A754 PolarHBondContact O-N 3.36Å; Q752-A754 VanDerWaalsContact C-N 3.34Å; Q752-A754 PolarHBondContact O-N 3.32Å; A754-S758 PolarHBondContact O-N 3.39Å; A754-S758 PolarHBondContact O-OG 3.17Å; A754-M785 HydrophobicContact CB-CB 4.45Å; A754-M785 HydrophobicContact CB-CE 3.49Å; A754-M785 VanDerWaalsContact CB-CE 3.49Å |
| 755 | A | 77.7 | Confident | 84.4 | Confident | 53 Ų | 53 | 68.9 Ų | 68.9 | 44% | 0.438 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | E751 Q752 S758 A759 | E751-A755 PolarHBondContact O-N 2.91Å; Q752-A755 PolarHBondContact O-N 2.9Å; A755-S758 WeakPolarHBondContact O-CB 3.49Å; A755-S758 PolarHBondContact O-N 2.84Å; A755-A759 PolarHBondContact O-N 2.59Å |
| 756 | Q | 81.9 | Confident | 84.3 | Confident | 117 Ų | 117 | 69.3 Ų | 69.3 | 55% | 0.547 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 176.8 | -175.6 | 61.3 | 48.1 | 0 | 0 | 111.8 | Q752 A753 A759 N760 | Q752-Q756 WeakPolarHBondContact O-CB 3.42Å; Q752-Q756 PolarHBondContact O-N 3.15Å; A753-Q756 PolarHBondContact O-N 2.8Å; Q756-A759 PolarHBondContact O-N 3.05Å; Q756-N760 PolarHBondContact O-N 2.97Å; Q756-N760 VanDerWaalsContact O-N 3.13Å |
| 757 | E | 80.9 | Confident | 84.3 | Confident | 64 Ų | 64 | 70 Ų | 70 | 30% | 0.299 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 176.6 | -167.1 | 60.6 | -159.8 | 0 | 0 | 111.1 | A753 A759 N760 L761 L778 M789 | A753-E757 WeakPolarHBondContact O-CB 3.45Å; A753-E757 PolarHBondContact O-N 2.95Å; E757-A759 VanDerWaalsContact C-N 3.35Å; E757-A759 PolarHBondContact O-N 3.22Å; E757-N760 PolarHBondContact O-N 3.34Å; E757-L761 HydrophobicContact CG-CD1 4.39Å; E757-L761 VanDerWaalsContact O-CG 3.24Å; E757-L761 WeakPolarHBondContact O-CG 3.27Å; E757-L761 PolarHBondContact O-N 2.97Å; E757-L778 HydrophobicContact CG-CD2 4.24Å; E757-M789 HydrophobicContact CB-CE 4.02Å; E757-M789 HydrophobicContact CG-CE 4.1Å |
| 758 | S | 76.6 | Confident | 84.4 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.4 | -44.8 | 174 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | A754 A755 N760 L761 S762 M789 L793 | A754-S758 PolarHBondContact O-N 3.39Å; A754-S758 PolarHBondContact O-OG 3.17Å; A755-S758 WeakPolarHBondContact O-CB 3.49Å; A755-S758 PolarHBondContact O-N 2.84Å; S758-N760 VanDerWaalsContact C-N 3.33Å; S758-N760 PolarHBondContact O-N 3.15Å; S758-L761 PolarHBondContact O-N 3.09Å; S758-S762 PolarHBondContact O-N 3.37Å; S758-S762 VanDerWaalsContact O-N 3.16Å; S758-M789 WeakPolarHBondContact OG-CB 3.49Å; S758-M789 WeakPolarHBondContact OG-CE 3.39Å; S758-M789 WeakPolarHBondContact OG-CG 3.41Å; S758-L793 VanDerWaalsContact O-CD2 3.23Å; S758-L793 WeakPolarHBondContact O-CD2 3.42Å |
| 759 | A | 78.9 | Confident | 84.3 | Confident | 39 Ų | 39 | 66.6 Ų | 66.6 | 32% | 0.322 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | A755 Q756 E757 L761 S762 | A755-A759 PolarHBondContact O-N 2.59Å; Q756-A759 PolarHBondContact O-N 3.05Å; E757-A759 VanDerWaalsContact C-N 3.35Å; E757-A759 PolarHBondContact O-N 3.22Å; A759-L761 PolarHBondContact O-N 2.93Å; A759-S762 PolarHBondContact O-N 3.1Å; A759-S762 PolarHBondContact O-OG 3.4Å |
| 760 | N | 83.9 | Confident | 84.2 | Confident | 76 Ų | 76 | 64 Ų | 64 | 41% | 0.406 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 176.4 | -73.6 | -19.4 | 0 | 0 | 0 | 112.4 | Q756 E757 S758 S762 S763 | Q756-N760 PolarHBondContact O-N 2.97Å; Q756-N760 VanDerWaalsContact O-N 3.13Å; E757-N760 PolarHBondContact O-N 3.34Å; S758-N760 VanDerWaalsContact C-N 3.33Å; S758-N760 PolarHBondContact O-N 3.15Å; N760-S762 VanDerWaalsContact C-N 3.31Å; N760-S762 PolarHBondContact O-N 3.45Å; N760-S763 PolarHBondContact O-N 3.46Å; N760-S763 PolarHBondContact O-OG 2.64Å |
| 761 | L | 86.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.2 | -33.5 | 180 | -70.1 | 167.3 | 0 | 0 | 0 | 112.9 | E757 S758 A759 S763 K764 L774 S776 L778 M789 L793 L804 | E757-L761 HydrophobicContact CG-CD1 4.39Å; E757-L761 VanDerWaalsContact O-CG 3.24Å; E757-L761 WeakPolarHBondContact O-CG 3.27Å; E757-L761 PolarHBondContact O-N 2.97Å; S758-L761 PolarHBondContact O-N 3.09Å; A759-L761 PolarHBondContact O-N 2.93Å; L761-S763 PolarHBondContact O-N 3.48Å; L761-S763 VanDerWaalsContact O-N 3.15Å; L761-K764 HydrophobicContact CD2-CD 4.35Å; L761-K764 WeakPolarHBondContact O-CB 3.27Å; L761-K764 PolarHBondContact O-N 3.46Å; L761-L774 HydrophobicContact CB-CD1 4.44Å; L761-L774 HydrophobicContact CB-CD2 4.01Å; L761-L774 VanDerWaalsContact O-CD1 3.26Å; L761-L774 WeakPolarHBondContact O-CD1 3.21Å; L761-S776 VanDerWaalsContact CD2-OG 3.29Å; L761-S776 WeakPolarHBondContact CD2-OG 3.42Å; L761-L778 HydrophobicContact CD1-CD1 4.15Å; L761-L778 HydrophobicContact CD1-CD2 3.44Å; L761-L778 VanDerWaalsContact CD1-CD2 3.44Å; L761-L778 HydrophobicContact CD1-CG 4.41Å; L761-L778 HydrophobicContact CD2-CD2 3.76Å; L761-L778 HydrophobicContact CG-CD2 4.09Å; L761-M789 HydrophobicContact CD1-CE 3.61Å; L761-L793 HydrophobicContact CB-CD1 4.35Å; L761-L793 HydrophobicContact CB-CD2 4.15Å; L761-L793 HydrophobicContact CD1-CD1 4.32Å; L761-L804 HydrophobicContact CD1-CD2 4.13Å |
| 762 | S | 82.3 | Confident | 85.3 | Confident | 33 Ų | 33 | 59.8 Ų | 59.8 | 23% | 0.231 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -54.9 | -35.4 | 178.8 | 75.1 | 0 | 0 | 0 | 0 | 112.4 | S758 A759 N760 K764 A765 | S758-S762 PolarHBondContact O-N 3.37Å; S758-S762 VanDerWaalsContact O-N 3.16Å; A759-S762 PolarHBondContact O-N 3.1Å; A759-S762 PolarHBondContact O-OG 3.4Å; N760-S762 VanDerWaalsContact C-N 3.31Å; N760-S762 PolarHBondContact O-N 3.45Å; S762-K764 VanDerWaalsContact C-N 3.27Å; S762-K764 PolarHBondContact O-N 3.42Å; S762-A765 WeakPolarHBondContact O-CB 3.35Å; S762-A765 PolarHBondContact O-N 3.24Å |
| 763 | S | 84.4 | Confident | 85.9 | Confident | 99 Ų | 99 | 54 Ų | 54 | 69% | 0.692 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -16.7 | 178.6 | 73.4 | 0 | 0 | 0 | 0 | 114.5 | N760 L761 | N760-S763 PolarHBondContact O-N 3.46Å; N760-S763 PolarHBondContact O-OG 2.64Å; L761-S763 PolarHBondContact O-N 3.48Å; L761-S763 VanDerWaalsContact O-N 3.15Å |
| 764 | K | 88.5 | Confident | 86.5 | Confident | 122 Ų | 122 | 51 Ų | 51 | 53% | 0.53 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -2.9 | 179.6 | -60.7 | -178.4 | -175.9 | 170.4 | 0 | 113.1 | L761 S762 I766 L774 | L761-K764 HydrophobicContact CD2-CD 4.35Å; L761-K764 WeakPolarHBondContact O-CB 3.27Å; L761-K764 PolarHBondContact O-N 3.46Å; S762-K764 VanDerWaalsContact C-N 3.27Å; S762-K764 PolarHBondContact O-N 3.42Å; K764-I766 PolarHBondContact O-N 2.96Å; K764-L774 HydrophobicContact CB-CD1 3.99Å |
| 765 | A | 90.8 | Very high | 87.4 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 21% | 0.207 | 31% | 0.308 | C | S | . | . | trans | -67.5 | 131.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | S762 K772 L773 L774 L797 | S762-A765 WeakPolarHBondContact O-CB 3.35Å; S762-A765 PolarHBondContact O-N 3.24Å; A765-K772 HydrophobicContact CB-CB 4.32Å; A765-L773 WeakPolarHBondContact CA-O 3.42Å; A765-L774 HydrophobicContact CB-CB 4.24Å; A765-L797 HydrophobicContact CB-CD1 3.92Å; A765-L797 HydrophobicContact CB-CD2 3.93Å | ||
| 766 | I | 92.4 | Very high | 88.2 | Confident | 71 Ų | 71 | 51.2 Ų | 51.2 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 150.1 | 177.7 | 59.8 | 170.8 | 0 | 0 | 0 | 110.6 | K764 V768 K772 L773 K868 | K764-I766 PolarHBondContact O-N 2.96Å; I766-V768 HydrophobicContact CD1-CG2 4.24Å; I766-V768 HydrophobicContact CG1-CG2 4.29Å; I766-K772 CarbonylContact O-C 3.51Å; I766-K772 WeakPolarHBondContact O-CA 3.34Å; I766-L773 HydrophobicContact CG1-CB 4.13Å; I766-L773 PolarHBondContact N-O 2.83Å; I766-L773 PolarHBondContact O-N 3Å; I766-K868 HydrophobicContact CD1-CD 3.71Å; I766-K868 HydrophobicContact CD1-CG 4.26Å |
| 767 | D | 91.5 | Very high | 88.7 | Confident | 111 Ų | 111 | 49.8 Ų | 49.8 | 59% | 0.594 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 129.8 | 172.5 | -165.4 | -68.4 | 0 | 0 | 0 | 110.6 | G770 | D767-G770 WeakPolarHBondContact OD1-CA 3.45Å; D767-G770 PolarHBondContact OD1-N 2.95Å |
| 768 | V | 90.1 | Very high | 89.1 | Confident | 10 Ų | 10 | 46.9 Ų | 46.9 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 107 | 170.9 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | I766 G770 V771 L773 S872 L875 | I766-V768 HydrophobicContact CD1-CG2 4.24Å; I766-V768 HydrophobicContact CG1-CG2 4.29Å; V768-G770 PolarHBondContact O-N 2.77Å; V768-V771 PolarHBondContact N-O 3.45Å; V768-V771 PolarHBondContact O-N 3.22Å; V768-L773 HydrophobicContact CG2-CB 4.04Å; V768-L773 HydrophobicContact CG2-CD2 4.13Å; V768-S872 WeakPolarHBondContact CG1-OG 3.36Å; V768-L875 HydrophobicContact CB-CD1 4.38Å; V768-L875 HydrophobicContact CG1-CD1 4.12Å; V768-L875 WeakPolarHBondContact O-CD1 3.46Å |
| 769 | N | 88.5 | Confident | 89.3 | Confident | 93 Ų | 93 | 52.2 Ų | 52.2 | 50% | 0.497 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 39.8 | 179.6 | -61.1 | -15.8 | 0 | 0 | 0 | 113.6 | V771 L875 | N769-V771 VanDerWaalsContact C-N 3.35Å; N769-L875 HydrophobicContact CB-CB 4.06Å; N769-L875 PolarHBondContact ND2-O 3.37Å |
| 770 | G | 87.8 | Confident | 89.3 | Confident | 52 Ų | 52 | 54.2 Ų | 54.2 | 54% | 0.536 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 5.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | D767 V768 | D767-G770 WeakPolarHBondContact OD1-CA 3.45Å; D767-G770 PolarHBondContact OD1-N 2.95Å; V768-G770 PolarHBondContact O-N 2.77Å |
| 771 | V | 92.9 | Very high | 89.2 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.024 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 133.2 | 171.6 | 179.6 | 0 | 0 | 0 | 0 | 109 | V768 N769 I801 V822 L875 | V768-V771 PolarHBondContact N-O 3.45Å; V768-V771 PolarHBondContact O-N 3.22Å; N769-V771 VanDerWaalsContact C-N 3.35Å; V771-I801 HydrophobicContact CG1-CD1 3.98Å; V771-I801 HydrophobicContact CG1-CG1 4.04Å; V771-V822 HydrophobicContact CG1-CG1 4.2Å; V771-V822 HydrophobicContact CG1-CG2 3.9Å; V771-V822 HydrophobicContact CG2-CG1 4.15Å; V771-V822 HydrophobicContact CG2-CG2 3.81Å; V771-L875 HydrophobicContact CB-CD1 3.94Å; V771-L875 HydrophobicContact CG2-CD1 4.15Å; V771-L875 HydrophobicContact CG2-CD2 4.12Å |
| 772 | K | 95.1 | Very high | 89.1 | Confident | 87 Ų | 87 | 55.3 Ų | 55.3 | 38% | 0.378 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 132.3 | 175.2 | -65.7 | -171.2 | -175.6 | 174.2 | 0 | 110.5 | A765 I766 L797 S799 T800 I801 | A765-K772 HydrophobicContact CB-CB 4.32Å; I766-K772 CarbonylContact O-C 3.51Å; I766-K772 WeakPolarHBondContact O-CA 3.34Å; K772-L797 HydrophobicContact CD-CB 4.14Å; K772-L797 HydrophobicContact CD-CD2 3.87Å; K772-S799 PolarHBondContact N-O 3.17Å; K772-T800 CarbonylContact O-C 3.52Å; K772-T800 WeakPolarHBondContact O-CA 3.22Å; K772-T800 PolarHBondContact O-OG1 2.89Å; K772-I801 PolarHBondContact O-N 2.93Å |
| 773 | L | 95.8 | Very high | 89.2 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.5 | 175.6 | 175.7 | 63.9 | 0 | 0 | 0 | 109.6 | A765 I766 V768 V775 I801 V867 K868 V871 | A765-L773 WeakPolarHBondContact CA-O 3.42Å; I766-L773 HydrophobicContact CG1-CB 4.13Å; I766-L773 PolarHBondContact N-O 2.83Å; I766-L773 PolarHBondContact O-N 3Å; V768-L773 HydrophobicContact CG2-CB 4.04Å; V768-L773 HydrophobicContact CG2-CD2 4.13Å; L773-V775 HydrophobicContact CD1-CG2 3.82Å; L773-V775 HydrophobicContact CD2-CG2 4.38Å; L773-V775 HydrophobicContact CG-CG2 4Å; L773-I801 CarbonylContact C-O 3.59Å; L773-I801 WeakPolarHBondContact CA-O 3.21Å; L773-I801 HydrophobicContact CD1-CB 3.99Å; L773-I801 HydrophobicContact CD1-CG2 3.82Å; L773-V867 HydrophobicContact CD1-CG1 4.05Å; L773-K868 HydrophobicContact CD2-CB 4.02Å; L773-K868 HydrophobicContact CD2-CG 4.13Å; L773-V871 HydrophobicContact CD1-CG1 4.48Å; L773-V871 HydrophobicContact CD1-CG2 4.12Å; L773-V871 HydrophobicContact CD2-CB 4.29Å; L773-V871 HydrophobicContact CD2-CG1 4.35Å |
| 774 | L | 95.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 120 | 173.6 | 175.6 | 61 | 0 | 0 | 0 | 109.9 | L761 K764 A765 L793 L797 I801 I802 V803 | L761-L774 HydrophobicContact CB-CD1 4.44Å; L761-L774 HydrophobicContact CB-CD2 4.01Å; L761-L774 VanDerWaalsContact O-CD1 3.26Å; L761-L774 WeakPolarHBondContact O-CD1 3.21Å; K764-L774 HydrophobicContact CB-CD1 3.99Å; A765-L774 HydrophobicContact CB-CB 4.24Å; L774-L793 HydrophobicContact CD2-CD1 3.62Å; L774-L793 HydrophobicContact CD2-CD2 3.76Å; L774-L793 HydrophobicContact CD2-CG 4.21Å; L774-L797 HydrophobicContact CB-CD1 4.43Å; L774-L797 HydrophobicContact CD2-CD1 4.22Å; L774-I801 PolarHBondContact N-O 3.48Å; L774-I802 HydrophobicContact CB-CG1 4.36Å; L774-I802 HydrophobicContact CB-CG2 4.37Å; L774-I802 HydrophobicContact CD2-CG2 4.13Å; L774-I802 HydrophobicContact CG-CG2 4.33Å; L774-I802 CarbonylContact O-C 3.48Å; L774-I802 VanDerWaalsContact O-CA 3.27Å; L774-I802 WeakPolarHBondContact O-CA 3.2Å; L774-V803 PolarHBondContact O-N 3.32Å |
| 775 | V | 95.2 | Very high | 89.1 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 28% | 0.279 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 119.2 | 176.1 | -174.6 | 0 | 0 | 0 | 0 | 107.7 | L773 V803 L864 V867 | L773-V775 HydrophobicContact CD1-CG2 3.82Å; L773-V775 HydrophobicContact CD2-CG2 4.38Å; L773-V775 HydrophobicContact CG-CG2 4Å; V775-V803 WeakPolarHBondContact CA-O 3.13Å; V775-V803 HydrophobicContact CG1-CB 4.29Å; V775-V803 HydrophobicContact CG2-CB 4.39Å; V775-L864 HydrophobicContact CG1-CB 3.79Å; V775-L864 HydrophobicContact CG1-CD2 3.76Å; V775-L864 HydrophobicContact CG1-CG 4.24Å; V775-V867 HydrophobicContact CG1-CB 4.43Å; V775-V867 HydrophobicContact CG1-CG2 4.37Å; V775-V867 HydrophobicContact CG2-CB 3.91Å; V775-V867 HydrophobicContact CG2-CG1 3.5Å; V775-V867 VanDerWaalsContact CG2-CG1 3.5Å |
| 776 | S | 93.6 | Very high | 89.1 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 12% | 0.119 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 140.3 | 179.7 | -161.1 | 0 | 0 | 0 | 0 | 112.7 | L761 V803 L804 A805 | L761-S776 VanDerWaalsContact CD2-OG 3.29Å; L761-S776 WeakPolarHBondContact CD2-OG 3.42Å; S776-V803 PolarHBondContact N-O 2.74Å; S776-L804 WeakPolarHBondContact O-CA 3.18Å; S776-A805 PolarHBondContact O-N 3.23Å |
| 777 | E | 91.8 | Very high | 89 | Confident | 88 Ų | 88 | 57 Ų | 57 | 41% | 0.411 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 141.1 | 159.2 | -173.9 | 178.8 | 172.2 | 0 | 0 | 109.2 | A805 L860 L864 | E777-A805 CarbonylContact C-O 3.58Å; E777-A805 WeakPolarHBondContact CA-O 3.29Å; E777-L860 HydrophobicContact CG-CD2 3.93Å; E777-L864 HydrophobicContact CB-CD1 3.87Å |
| 778 | L | 89.1 | Confident | 88.8 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 128 | -178.5 | -54.6 | -179.9 | 0 | 0 | 0 | 109.3 | E757 L761 V781 L786 M789 L804 A805 T806 | E757-L778 HydrophobicContact CG-CD2 4.24Å; L761-L778 HydrophobicContact CD1-CD1 4.15Å; L761-L778 HydrophobicContact CD1-CD2 3.44Å; L761-L778 VanDerWaalsContact CD1-CD2 3.44Å; L761-L778 HydrophobicContact CD1-CG 4.41Å; L761-L778 HydrophobicContact CD2-CD2 3.76Å; L761-L778 HydrophobicContact CG-CD2 4.09Å; L778-V781 HydrophobicContact CB-CB 4.19Å; L778-V781 HydrophobicContact CB-CG2 3.87Å; L778-V781 HydrophobicContact CD1-CG2 4.29Å; L778-L786 HydrophobicContact CD1-CD2 3.79Å; L778-M789 HydrophobicContact CD1-CE 3.55Å; L778-M789 HydrophobicContact CD1-SD 3.61Å; L778-L804 HydrophobicContact CD1-CB 4.27Å; L778-L804 HydrophobicContact CD1-CD1 4.11Å; L778-L804 HydrophobicContact CD1-CD2 4.44Å; L778-A805 WeakPolarHBondContact CB-O 3.34Å; L778-A805 PolarHBondContact N-O 2.87Å; L778-T806 WeakPolarHBondContact O-CA 3.41Å; L778-T806 PolarHBondContact O-OG1 2.91Å |
| 779 | S | 82.7 | Confident | 88.7 | Confident | 115 Ų | 115 | 54.6 Ų | 54.6 | 80% | 0.804 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -91.7 | 135.1 | 175.3 | 56.1 | 0 | 0 | 0 | 0 | 111 | V781 | S779-V781 VanDerWaalsContact C-N 3.26Å; S779-V781 PolarHBondContact O-N 3.44Å |
| 780 | G | 77.3 | Confident | 88.9 | Confident | 82 Ų | 82 | 50.2 Ų | 50.2 | 85% | 0.845 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 74.4 | 11 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 781 | V | 82.4 | Confident | 89 | Confident | 18 Ų | 18 | 50.7 Ų | 50.7 | 11% | 0.109 | 28% | 0.281 | C | S | . | . | trans | -93.4 | 129.3 | 176.8 | 177.8 | 0 | 0 | 0 | 0 | 109.8 | L778 S779 M785 L786 M789 T806 | L778-V781 HydrophobicContact CB-CB 4.19Å; L778-V781 HydrophobicContact CB-CG2 3.87Å; L778-V781 HydrophobicContact CD1-CG2 4.29Å; S779-V781 VanDerWaalsContact C-N 3.26Å; S779-V781 PolarHBondContact O-N 3.44Å; V781-M785 HydrophobicContact CG1-CB 3.92Å; V781-L786 HydrophobicContact CG1-CD2 4.11Å; V781-M789 HydrophobicContact CG1-SD 3.86Å; V781-M789 HydrophobicContact CG2-SD 4.45Å; V781-T806 WeakPolarHBondContact O-CG2 3.42Å; V781-T806 PolarHBondContact O-OG1 3.22Å | ||
| 782 | E | 83 | Confident | 88.8 | Confident | 81 Ų | 81 | 53.5 Ų | 53.5 | 38% | 0.379 | 30% | 0.296 | S | S | . | . | trans | -66.4 | 138.3 | 174.3 | -70.5 | -173.5 | -172.4 | 0 | 0 | 111.1 | K750 K784 M785 | K750-E782 IonicContact NZ-OE1 3.7Å; K750-E782 PolarHBondContact NZ-OE1 3.42Å; E782-K784 PolarHBondContact O-N 2.93Å; E782-M785 HydrophobicContact CB-CG 4.38Å; E782-M785 WeakPolarHBondContact O-CB 3.41Å; E782-M785 PolarHBondContact O-N 2.91Å | ||
| 783 | P | 85.2 | Confident | 88.6 | Confident | 52 Ų | 52 | 49.4 Ų | 49.4 | 34% | 0.338 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -29.6 | -179.3 | -30.3 | 36 | 0 | 0 | 0 | 115 | M785 L786 T806 S813 | P783-M785 VanDerWaalsContact C-N 3.34Å; P783-L786 WeakPolarHBondContact O-CB 3.34Å; P783-T806 HydrophobicContact CG-CG2 4.16Å; P783-S813 WeakPolarHBondContact CG-OG 3.2Å |
| 784 | K | 85.2 | Confident | 88.4 | Confident | 180 Ų | 180 | 50.6 Ų | 50.6 | 78% | 0.783 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -33.6 | 177.5 | -69 | -177.8 | -179.4 | 175.8 | 0 | 112.8 | E782 L786 | E782-K784 PolarHBondContact O-N 2.93Å; K784-L786 VanDerWaalsContact C-N 3.33Å; K784-L786 PolarHBondContact O-N 3.28Å |
| 785 | M | 85.2 | Confident | 88 | Confident | 32 Ų | 32 | 57 Ų | 57 | 16% | 0.158 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -73.6 | -25 | -177.7 | -66.5 | -57.9 | -69 | 0 | 0 | 112.8 | E751 A754 V781 E782 P783 R787 T788 M789 | E751-M785 HydrophobicContact CG-CE 4.12Å; A754-M785 HydrophobicContact CB-CB 4.45Å; A754-M785 HydrophobicContact CB-CE 3.49Å; A754-M785 VanDerWaalsContact CB-CE 3.49Å; V781-M785 HydrophobicContact CG1-CB 3.92Å; E782-M785 HydrophobicContact CB-CG 4.38Å; E782-M785 WeakPolarHBondContact O-CB 3.41Å; E782-M785 PolarHBondContact O-N 2.91Å; P783-M785 VanDerWaalsContact C-N 3.34Å; M785-R787 PolarHBondContact O-N 3.09Å; M785-R787 VanDerWaalsContact O-N 3.1Å; M785-T788 PolarHBondContact O-N 3.33Å; M785-T788 VanDerWaalsContact O-N 3.08Å; M785-M789 WeakPolarHBondContact O-CG 3.27Å; M785-M789 PolarHBondContact O-N 3.45Å |
| 786 | L | 90.3 | Very high | 87.6 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -52.9 | -35.6 | 179.8 | -70.2 | -175.5 | 0 | 0 | 0 | 113.2 | L778 V781 P783 K784 M789 V790 L804 T806 I815 | L778-L786 HydrophobicContact CD1-CD2 3.79Å; V781-L786 HydrophobicContact CG1-CD2 4.11Å; P783-L786 WeakPolarHBondContact O-CB 3.34Å; K784-L786 VanDerWaalsContact C-N 3.33Å; K784-L786 PolarHBondContact O-N 3.28Å; L786-M789 PolarHBondContact O-N 3.23Å; L786-V790 WeakPolarHBondContact O-CG2 3.36Å; L786-V790 PolarHBondContact O-N 3.06Å; L786-L804 HydrophobicContact CD2-CB 4.11Å; L786-T806 HydrophobicContact CD1-CG2 3.83Å; L786-T806 HydrophobicContact CD2-CG2 4.4Å; L786-T806 HydrophobicContact CG-CG2 4.24Å; L786-I815 HydrophobicContact CB-CB 4.39Å; L786-I815 HydrophobicContact CB-CG2 3.71Å; L786-I815 HydrophobicContact CD1-CG2 4.23Å; L786-I815 HydrophobicContact CG-CG2 4.44Å |
| 787 | R | 90.3 | Very high | 87.4 | Confident | 118 Ų | 118 | 59.8 Ų | 59.8 | 45% | 0.445 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.5 | -50.3 | 178.3 | -175.5 | 177.1 | -68.5 | -171.3 | 0.5 | 111.6 | M785 M789 V790 D791 I815 M849 | M785-R787 PolarHBondContact O-N 3.09Å; M785-R787 VanDerWaalsContact O-N 3.1Å; R787-M789 VanDerWaalsContact C-N 3.3Å; R787-M789 PolarHBondContact O-N 3.34Å; R787-V790 PolarHBondContact O-N 3.07Å; R787-D791 PolarHBondContact O-N 3.35Å; R787-I815 HydrophobicContact CB-CD1 3.98Å; R787-I815 HydrophobicContact CG-CD1 4.34Å; R787-M849 HydrophobicContact CG-CE 4.06Å; R787-M849 HydrophobicContact CG-SD 3.88Å |
| 788 | T | 87.9 | Confident | 87.3 | Confident | 69 Ų | 69 | 57.6 Ų | 57.6 | 42% | 0.423 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.4 | -44.7 | 177.4 | -46.7 | 0 | 0 | 0 | 0 | 110.8 | M785 V790 D791 D792 | M785-T788 PolarHBondContact O-N 3.33Å; M785-T788 VanDerWaalsContact O-N 3.08Å; T788-V790 PolarHBondContact O-N 3.46Å; T788-D791 PolarHBondContact O-N 2.88Å; T788-D792 PolarHBondContact O-N 2.65Å |
| 789 | M | 88.9 | Confident | 87.5 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 177.9 | -61 | -176 | 72.4 | 0 | 0 | 112.4 | E757 S758 L761 L778 V781 M785 L786 R787 D792 L793 L804 | E757-M789 HydrophobicContact CB-CE 4.02Å; E757-M789 HydrophobicContact CG-CE 4.1Å; S758-M789 WeakPolarHBondContact OG-CB 3.49Å; S758-M789 WeakPolarHBondContact OG-CE 3.39Å; S758-M789 WeakPolarHBondContact OG-CG 3.41Å; L761-M789 HydrophobicContact CD1-CE 3.61Å; L778-M789 HydrophobicContact CD1-CE 3.55Å; L778-M789 HydrophobicContact CD1-SD 3.61Å; V781-M789 HydrophobicContact CG1-SD 3.86Å; V781-M789 HydrophobicContact CG2-SD 4.45Å; M785-M789 WeakPolarHBondContact O-CG 3.27Å; M785-M789 PolarHBondContact O-N 3.45Å; L786-M789 PolarHBondContact O-N 3.23Å; R787-M789 VanDerWaalsContact C-N 3.3Å; R787-M789 PolarHBondContact O-N 3.34Å; M789-D792 PolarHBondContact O-N 2.91Å; M789-L793 VanDerWaalsContact O-CB 3.31Å; M789-L793 WeakPolarHBondContact O-CB 3.47Å; M789-L793 WeakPolarHBondContact O-CD1 3.36Å; M789-L793 VanDerWaalsContact O-CG 3.24Å; M789-L793 WeakPolarHBondContact O-CG 3.38Å; M789-L793 PolarHBondContact O-N 3.25Å; M789-L804 HydrophobicContact CB-CD1 3.83Å |
| 790 | V | 92.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63 | -43.5 | 176.8 | 164.4 | 0 | 0 | 0 | 0 | 111.7 | L786 R787 T788 K794 I802 L804 I815 | L786-V790 WeakPolarHBondContact O-CG2 3.36Å; L786-V790 PolarHBondContact O-N 3.06Å; R787-V790 PolarHBondContact O-N 3.07Å; T788-V790 PolarHBondContact O-N 3.46Å; V790-K794 HydrophobicContact CG1-CD 3.9Å; V790-K794 HydrophobicContact CG1-CG 4.45Å; V790-K794 WeakPolarHBondContact O-CB 3.49Å; V790-K794 VanDerWaalsContact O-CG 3.28Å; V790-K794 WeakPolarHBondContact O-CG 3.47Å; V790-K794 PolarHBondContact O-N 2.93Å; V790-I802 HydrophobicContact CG2-CG2 4.2Å; V790-L804 HydrophobicContact CG2-CD1 3.81Å; V790-L804 HydrophobicContact CG2-CG 4.14Å; V790-I815 HydrophobicContact CB-CD1 4.28Å; V790-I815 HydrophobicContact CG2-CB 4.33Å; V790-I815 HydrophobicContact CG2-CD1 4.08Å; V790-I815 HydrophobicContact CG2-CG1 4Å; V790-I815 HydrophobicContact CG2-CG2 3.43Å; V790-I815 VanDerWaalsContact CG2-CG2 3.43Å |
| 791 | D | 90 | Very high | 89 | Confident | 62 Ų | 62 | 50.5 Ų | 50.5 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 178.7 | -74.6 | -33 | 0 | 0 | 0 | 111.4 | R787 T788 K794 N795 | R787-D791 PolarHBondContact O-N 3.35Å; T788-D791 PolarHBondContact O-N 2.88Å; D791-K794 PolarHBondContact O-N 3Å; D791-N795 PolarHBondContact O-N 2.64Å; D791-N795 PolarHBondContact O-ND2 2.68Å |
| 792 | D | 87.8 | Confident | 89.6 | Confident | 64 Ų | 64 | 49.6 Ų | 49.6 | 34% | 0.342 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 176.5 | -72.4 | -20.5 | 0 | 0 | 0 | 111.9 | T788 M789 K794 N795 Q796 | T788-D792 PolarHBondContact O-N 2.65Å; M789-D792 PolarHBondContact O-N 2.91Å; D792-K794 PolarHBondContact O-N 2.83Å; D792-N795 PolarHBondContact O-N 2.66Å; D792-Q796 WeakPolarHBondContact O-CG 3.25Å; D792-Q796 PolarHBondContact O-N 2.84Å |
| 793 | L | 90.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.1 | -35.1 | 178.3 | -74.2 | 162.3 | 0 | 0 | 0 | 112.5 | S758 L761 L774 M789 N795 Q796 L797 I802 L804 | S758-L793 VanDerWaalsContact O-CD2 3.23Å; S758-L793 WeakPolarHBondContact O-CD2 3.42Å; L761-L793 HydrophobicContact CB-CD1 4.35Å; L761-L793 HydrophobicContact CB-CD2 4.15Å; L761-L793 HydrophobicContact CD1-CD1 4.32Å; L774-L793 HydrophobicContact CD2-CD1 3.62Å; L774-L793 HydrophobicContact CD2-CD2 3.76Å; L774-L793 HydrophobicContact CD2-CG 4.21Å; M789-L793 VanDerWaalsContact O-CB 3.31Å; M789-L793 WeakPolarHBondContact O-CB 3.47Å; M789-L793 WeakPolarHBondContact O-CD1 3.36Å; M789-L793 VanDerWaalsContact O-CG 3.24Å; M789-L793 WeakPolarHBondContact O-CG 3.38Å; M789-L793 PolarHBondContact O-N 3.25Å; L793-N795 VanDerWaalsContact C-N 3.33Å; L793-Q796 PolarHBondContact O-N 3.02Å; L793-L797 HydrophobicContact CD2-CD1 4.47Å; L793-L797 VanDerWaalsContact O-CB 3.3Å; L793-L797 WeakPolarHBondContact O-CB 3.37Å; L793-L797 WeakPolarHBondContact O-CG 3.34Å; L793-L797 PolarHBondContact O-N 3.27Å; L793-I802 HydrophobicContact CB-CD1 3.28Å; L793-I802 HydrophobicContact CD1-CD1 4.4Å; L793-I802 HydrophobicContact CD1-CG2 4.3Å; L793-I802 HydrophobicContact CG-CD1 4.44Å; L793-L804 HydrophobicContact CD1-CD1 4Å; L793-L804 HydrophobicContact CD1-CD2 4.43Å |
| 794 | K | 91.4 | Very high | 90.8 | Very high | 30 Ų | 30 | 43.3 Ų | 43.3 | 13% | 0.13 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -43.6 | 172.9 | -80.5 | 171.2 | 67.2 | 177.1 | 0 | 111.1 | V790 D791 D792 Q796 G798 T800 I802 V818 D848 | V790-K794 HydrophobicContact CG1-CD 3.9Å; V790-K794 HydrophobicContact CG1-CG 4.45Å; V790-K794 WeakPolarHBondContact O-CB 3.49Å; V790-K794 VanDerWaalsContact O-CG 3.28Å; V790-K794 WeakPolarHBondContact O-CG 3.47Å; V790-K794 PolarHBondContact O-N 2.93Å; D791-K794 PolarHBondContact O-N 3Å; D792-K794 PolarHBondContact O-N 2.83Å; K794-Q796 VanDerWaalsContact C-N 3.34Å; K794-G798 PolarHBondContact O-N 2.79Å; K794-T800 HydrophobicContact CB-CG2 4.37Å; K794-T800 HydrophobicContact CG-CG2 3.95Å; K794-I802 HydrophobicContact CG-CD1 3.94Å; K794-V818 VanDerWaalsContact CE-O 3.32Å; K794-V818 WeakPolarHBondContact CE-O 3.49Å; K794-V818 PolarHBondContact NZ-O 3.1Å; K794-V818 VanDerWaalsContact NZ-O 3.16Å; K794-D848 PolarHBondContact NZ-O 2.81Å |
| 795 | N | 87.4 | Confident | 91.2 | Very high | 136 Ų | 136 | 34.7 Ų | 34.7 | 73% | 0.727 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -64.6 | -38.3 | 176.8 | -69.2 | -28 | 0 | 0 | 0 | 112 | D791 D792 L793 | D791-N795 PolarHBondContact O-N 2.64Å; D791-N795 PolarHBondContact O-ND2 2.68Å; D792-N795 PolarHBondContact O-N 2.66Å; L793-N795 VanDerWaalsContact C-N 3.33Å |
| 796 | Q | 87.2 | Confident | 91.6 | Very high | 106 Ų | 106 | 33.2 Ų | 33.2 | 50% | 0.495 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -74.9 | -37.4 | 180 | -73.1 | 178.8 | -9.3 | 0 | 0 | 113.9 | D792 L793 K794 | D792-Q796 WeakPolarHBondContact O-CG 3.25Å; D792-Q796 PolarHBondContact O-N 2.84Å; L793-Q796 PolarHBondContact O-N 3.02Å; K794-Q796 VanDerWaalsContact C-N 3.34Å |
| 797 | L | 89.8 | Confident | 91.6 | Very high | 16 Ų | 16 | 35.3 Ų | 35.3 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -92.5 | -19.6 | -169.6 | -66.8 | 173.7 | 0 | 0 | 0 | 114.3 | A765 K772 L774 L793 T800 I802 | A765-L797 HydrophobicContact CB-CD1 3.92Å; A765-L797 HydrophobicContact CB-CD2 3.93Å; K772-L797 HydrophobicContact CD-CB 4.14Å; K772-L797 HydrophobicContact CD-CD2 3.87Å; L774-L797 HydrophobicContact CB-CD1 4.43Å; L774-L797 HydrophobicContact CD2-CD1 4.22Å; L793-L797 HydrophobicContact CD2-CD1 4.47Å; L793-L797 VanDerWaalsContact O-CB 3.3Å; L793-L797 WeakPolarHBondContact O-CB 3.37Å; L793-L797 WeakPolarHBondContact O-CG 3.34Å; L793-L797 PolarHBondContact O-N 3.27Å; L797-T800 HydrophobicContact CB-CG2 4.01Å; L797-I802 HydrophobicContact CD1-CD1 4.37Å |
| 798 | G | 88.3 | Confident | 91.5 | Very high | 41 Ų | 41 | 31.8 Ų | 31.8 | 42% | 0.423 | 19% | 0.189 | S | C | . | . | S | Bend | trans | 76.9 | -123.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K794 T800 S819 | K794-G798 PolarHBondContact O-N 2.79Å; G798-T800 WeakPolarHBondContact O-CG2 3.4Å; G798-T800 PolarHBondContact O-N 3.12Å; G798-S819 VanDerWaalsContact O-CB 3.29Å; G798-S819 WeakPolarHBondContact O-CB 3.24Å |
| 799 | S | 93.4 | Very high | 91.3 | Very high | 50 Ų | 50 | 38 Ų | 38 | 35% | 0.35 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -63.6 | 99.6 | 173.3 | -60.6 | 0 | 0 | 0 | 0 | 110.3 | K772 S819 D821 | K772-S799 PolarHBondContact N-O 3.17Å; S799-S819 WeakPolarHBondContact CA-OG 3.47Å; S799-D821 WeakPolarHBondContact CB-OD2 3.08Å; S799-D821 PolarHBondContact OG-OD2 3.47Å |
| 800 | T | 95.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 150.4 | -167.8 | -162.6 | 0 | 0 | 0 | 0 | 114.3 | K772 K794 L797 G798 I802 S819 | K772-T800 CarbonylContact O-C 3.52Å; K772-T800 WeakPolarHBondContact O-CA 3.22Å; K772-T800 PolarHBondContact O-OG1 2.89Å; K794-T800 HydrophobicContact CB-CG2 4.37Å; K794-T800 HydrophobicContact CG-CG2 3.95Å; L797-T800 HydrophobicContact CB-CG2 4.01Å; G798-T800 WeakPolarHBondContact O-CG2 3.4Å; G798-T800 PolarHBondContact O-N 3.12Å; T800-I802 HydrophobicContact CG2-CD1 3.95Å; T800-I802 HydrophobicContact CG2-CG1 3.95Å; T800-S819 PolarHBondContact N-OG 3.15Å; T800-S819 PolarHBondContact O-N 3.44Å; T800-S819 PolarHBondContact O-OG 2.88Å |
| 801 | I | 96.7 | Very high | 91 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 125.9 | 168.5 | -63.1 | 161.7 | 0 | 0 | 0 | 107.1 | V771 K772 L773 L774 V818 V822 V826 L831 V871 L875 | V771-I801 HydrophobicContact CG1-CD1 3.98Å; V771-I801 HydrophobicContact CG1-CG1 4.04Å; K772-I801 PolarHBondContact O-N 2.93Å; L773-I801 CarbonylContact C-O 3.59Å; L773-I801 WeakPolarHBondContact CA-O 3.21Å; L773-I801 HydrophobicContact CD1-CB 3.99Å; L773-I801 HydrophobicContact CD1-CG2 3.82Å; L774-I801 PolarHBondContact N-O 3.48Å; I801-V818 HydrophobicContact CG1-CG1 4.04Å; I801-V818 HydrophobicContact CG1-CG2 4.32Å; I801-V818 HydrophobicContact CG2-CG2 4.31Å; I801-V822 HydrophobicContact CD1-CG1 3.96Å; I801-V822 HydrophobicContact CG1-CG1 4.21Å; I801-V826 HydrophobicContact CD1-CB 3.94Å; I801-V826 HydrophobicContact CD1-CG1 3.91Å; I801-V826 HydrophobicContact CD1-CG2 3.84Å; I801-V826 HydrophobicContact CG1-CG1 4.31Å; I801-L831 HydrophobicContact CG2-CD2 3.52Å; I801-V871 HydrophobicContact CD1-CG1 3.6Å; I801-V871 HydrophobicContact CD1-CG2 4.36Å; I801-V871 HydrophobicContact CG2-CG2 4.26Å; I801-L875 HydrophobicContact CD1-CD1 4.37Å |
| 802 | I | 96.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132.7 | -174.5 | -52.2 | -177.4 | 0 | 0 | 0 | 109 | L774 V790 L793 K794 L797 T800 L804 A816 G817 | L774-I802 HydrophobicContact CB-CG1 4.36Å; L774-I802 HydrophobicContact CB-CG2 4.37Å; L774-I802 HydrophobicContact CD2-CG2 4.13Å; L774-I802 HydrophobicContact CG-CG2 4.33Å; L774-I802 CarbonylContact O-C 3.48Å; L774-I802 VanDerWaalsContact O-CA 3.27Å; L774-I802 WeakPolarHBondContact O-CA 3.2Å; V790-I802 HydrophobicContact CG2-CG2 4.2Å; L793-I802 HydrophobicContact CB-CD1 3.28Å; L793-I802 HydrophobicContact CD1-CD1 4.4Å; L793-I802 HydrophobicContact CD1-CG2 4.3Å; L793-I802 HydrophobicContact CG-CD1 4.44Å; K794-I802 HydrophobicContact CG-CD1 3.94Å; L797-I802 HydrophobicContact CD1-CD1 4.37Å; T800-I802 HydrophobicContact CG2-CD1 3.95Å; T800-I802 HydrophobicContact CG2-CG1 3.95Å; I802-L804 HydrophobicContact CG2-CD1 4.42Å; I802-L804 HydrophobicContact CG2-CD2 4.01Å; I802-L804 HydrophobicContact CG2-CG 3.85Å; I802-A816 CarbonylContact O-C 3.6Å; I802-A816 WeakPolarHBondContact O-CA 3.47Å; I802-G817 PolarHBondContact N-O 3.44Å; I802-G817 PolarHBondContact O-N 3.18Å |
| 803 | V | 96.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 116.2 | 168.1 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | L774 V775 S776 I815 A816 L831 L864 V867 | L774-V803 PolarHBondContact O-N 3.32Å; V775-V803 WeakPolarHBondContact CA-O 3.13Å; V775-V803 HydrophobicContact CG1-CB 4.29Å; V775-V803 HydrophobicContact CG2-CB 4.39Å; S776-V803 PolarHBondContact N-O 2.74Å; V803-I815 CarbonylContact C-O 3.46Å; V803-I815 WeakPolarHBondContact CA-O 3.32Å; V803-A816 HydrophobicContact CG2-CB 4.27Å; V803-L831 HydrophobicContact CG2-CD1 4.37Å; V803-L831 HydrophobicContact CG2-CD2 3.56Å; V803-L831 HydrophobicContact CG2-CG 3.96Å; V803-L864 HydrophobicContact CG1-CD2 3.91Å; V803-V867 HydrophobicContact CG2-CG1 4.1Å; V803-V867 HydrophobicContact CG2-CG2 4.38Å |
| 804 | L | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 141.7 | 174.7 | -55.2 | 178.9 | 0 | 0 | 0 | 110.1 | L761 S776 L778 L786 M789 V790 L793 I802 L814 I815 | L761-L804 HydrophobicContact CD1-CD2 4.13Å; S776-L804 WeakPolarHBondContact O-CA 3.18Å; L778-L804 HydrophobicContact CD1-CB 4.27Å; L778-L804 HydrophobicContact CD1-CD1 4.11Å; L778-L804 HydrophobicContact CD1-CD2 4.44Å; L786-L804 HydrophobicContact CD2-CB 4.11Å; M789-L804 HydrophobicContact CB-CD1 3.83Å; V790-L804 HydrophobicContact CG2-CD1 3.81Å; V790-L804 HydrophobicContact CG2-CG 4.14Å; L793-L804 HydrophobicContact CD1-CD1 4Å; L793-L804 HydrophobicContact CD1-CD2 4.43Å; I802-L804 HydrophobicContact CG2-CD1 4.42Å; I802-L804 HydrophobicContact CG2-CD2 4.01Å; I802-L804 HydrophobicContact CG2-CG 3.85Å; L804-L814 WeakPolarHBondContact O-CA 3.24Å; L804-I815 HydrophobicContact CB-CG2 3.81Å; L804-I815 HydrophobicContact CG-CG2 4.49Å; L804-I815 PolarHBondContact N-O 3.35Å; L804-I815 PolarHBondContact O-N 3.48Å |
| 805 | A | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 149.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | S776 E777 L778 S813 L814 L860 L864 | S776-A805 PolarHBondContact O-N 3.23Å; E777-A805 CarbonylContact C-O 3.58Å; E777-A805 WeakPolarHBondContact CA-O 3.29Å; L778-A805 WeakPolarHBondContact CB-O 3.34Å; L778-A805 PolarHBondContact N-O 2.87Å; A805-S813 CarbonylContact C-O 3.17Å; A805-S813 VanDerWaalsContact CA-O 3.27Å; A805-S813 WeakPolarHBondContact CA-O 3.2Å; A805-L814 HydrophobicContact CB-CD2 3.47Å; A805-L814 VanDerWaalsContact CB-CD2 3.47Å; A805-L860 HydrophobicContact CB-CD1 3.83Å; A805-L860 HydrophobicContact CB-CD2 3.94Å; A805-L860 HydrophobicContact CB-CG 4.4Å; A805-L864 HydrophobicContact CB-CD1 4.17Å; A805-L864 HydrophobicContact CB-CD2 4.31Å |
| 806 | T | 93.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 148.8 | 165.3 | -174.1 | 0 | 0 | 0 | 0 | 109.1 | L778 V781 P783 L786 S813 | L778-T806 WeakPolarHBondContact O-CA 3.41Å; L778-T806 PolarHBondContact O-OG1 2.91Å; V781-T806 WeakPolarHBondContact O-CG2 3.42Å; V781-T806 PolarHBondContact O-OG1 3.22Å; P783-T806 HydrophobicContact CG-CG2 4.16Å; L786-T806 HydrophobicContact CD1-CG2 3.83Å; L786-T806 HydrophobicContact CD2-CG2 4.4Å; L786-T806 HydrophobicContact CG-CG2 4.24Å; T806-S813 PolarHBondContact N-O 3.33Å; T806-S813 PolarHBondContact O-N 3.1Å |
| 807 | V | 91.3 | Very high | 92.9 | Very high | 47 Ų | 47 | 29.5 Ų | 29.5 | 29% | 0.285 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 118.3 | 174.5 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | K811 V812 A857 L860 | V807-K811 WeakPolarHBondContact CA-O 3.42Å; V807-V812 HydrophobicContact CG2-CG2 4.29Å; V807-A857 HydrophobicContact CG1-CB 3.94Å; V807-A857 HydrophobicContact CG2-CB 4.29Å; V807-L860 HydrophobicContact CG2-CD2 3.66Å |
| 808 | A | 86.4 | Confident | 93.2 | Very high | 44 Ų | 44 | 28.7 Ų | 28.7 | 36% | 0.364 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 127.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | G810 K811 | A808-G810 PolarHBondContact O-N 2.93Å; A808-G810 VanDerWaalsContact O-N 3.14Å; A808-K811 PolarHBondContact N-O 3.34Å; A808-K811 PolarHBondContact O-N 2.9Å |
| 809 | E | 85 | Confident | 93.5 | Very high | 200 Ų | 200 | 27.2 Ų | 27.2 | 94% | 0.935 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 38.8 | 178.2 | -57.8 | 177.9 | 176.2 | 0 | 0 | 113.3 | K811 | E809-K811 PolarHBondContact O-N 2.97Š|
| 810 | G | 84.3 | Confident | 93.4 | Very high | 48 Ų | 48 | 32.9 Ų | 32.9 | 50% | 0.495 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | -1.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | A808 | A808-G810 PolarHBondContact O-N 2.93Å; A808-G810 VanDerWaalsContact O-N 3.14Å |
| 811 | K | 89.7 | Confident | 93.2 | Very high | 139 Ų | 139 | 36.6 Ų | 36.6 | 60% | 0.604 | 20% | 0.197 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 131.9 | 175.8 | -66.2 | 178.6 | -177.9 | 170.6 | 0 | 110.8 | V807 A808 E809 | V807-K811 WeakPolarHBondContact CA-O 3.42Å; A808-K811 PolarHBondContact N-O 3.34Å; A808-K811 PolarHBondContact O-N 2.9Å; E809-K811 PolarHBondContact O-N 2.97Å |
| 812 | V | 93.7 | Very high | 93 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 128.8 | 174.7 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | V807 L814 V839 G853 G854 A857 L860 | V807-V812 HydrophobicContact CG2-CG2 4.29Å; V812-L814 HydrophobicContact CG1-CD1 4.48Å; V812-L814 HydrophobicContact CG1-CD2 3.64Å; V812-L814 HydrophobicContact CG1-CG 3.84Å; V812-V839 HydrophobicContact CG1-CG2 4.41Å; V812-G853 CarbonylContact O-C 3.51Å; V812-G853 WeakPolarHBondContact O-CA 3.44Å; V812-G854 PolarHBondContact N-O 3.05Å; V812-G854 PolarHBondContact O-N 3.26Å; V812-A857 HydrophobicContact CG2-CB 4.02Å; V812-L860 HydrophobicContact CG1-CD1 3.88Å; V812-L860 HydrophobicContact CG1-CD2 4.07Å; V812-L860 HydrophobicContact CG1-CG 4.49Å |
| 813 | S | 95.1 | Very high | 92.8 | Very high | 28 Ų | 28 | 38.2 Ų | 38.2 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 130.1 | 167.1 | -63.8 | 0 | 0 | 0 | 0 | 109.2 | P783 A805 T806 | P783-S813 WeakPolarHBondContact CG-OG 3.2Å; A805-S813 CarbonylContact C-O 3.17Å; A805-S813 VanDerWaalsContact CA-O 3.27Å; A805-S813 WeakPolarHBondContact CA-O 3.2Å; T806-S813 PolarHBondContact N-O 3.33Å; T806-S813 PolarHBondContact O-N 3.1Å |
| 814 | L | 96.2 | Very high | 92.5 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 144.1 | -175.5 | -54.3 | 168.8 | 0 | 0 | 0 | 110 | L804 A805 V812 I832 V835 A836 V839 Q851 A852 L860 | L804-L814 WeakPolarHBondContact O-CA 3.24Å; A805-L814 HydrophobicContact CB-CD2 3.47Å; A805-L814 VanDerWaalsContact CB-CD2 3.47Å; V812-L814 HydrophobicContact CG1-CD1 4.48Å; V812-L814 HydrophobicContact CG1-CD2 3.64Å; V812-L814 HydrophobicContact CG1-CG 3.84Å; L814-I832 HydrophobicContact CB-CD1 3.55Å; L814-I832 HydrophobicContact CB-CG1 4.22Å; L814-V835 HydrophobicContact CD1-CB 4.41Å; L814-V835 HydrophobicContact CD1-CG1 3.82Å; L814-V835 HydrophobicContact CD2-CG1 4.26Å; L814-A836 HydrophobicContact CD1-CB 4.26Å; L814-V839 HydrophobicContact CD1-CG2 3.84Å; L814-Q851 WeakPolarHBondContact O-CA 3.39Å; L814-A852 HydrophobicContact CB-CB 4.17Å; L814-A852 HydrophobicContact CD1-CB 4.14Å; L814-A852 PolarHBondContact N-O 3.36Å; L814-A852 PolarHBondContact O-N 3.3Å; L814-L860 HydrophobicContact CD2-CD1 3.79Å |
| 815 | I | 96.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 141.2 | 166 | -171.5 | 163.4 | 0 | 0 | 0 | 109.9 | L786 R787 V790 V803 L804 M849 A850 Q851 | L786-I815 HydrophobicContact CB-CB 4.39Å; L786-I815 HydrophobicContact CB-CG2 3.71Å; L786-I815 HydrophobicContact CD1-CG2 4.23Å; L786-I815 HydrophobicContact CG-CG2 4.44Å; R787-I815 HydrophobicContact CB-CD1 3.98Å; R787-I815 HydrophobicContact CG-CD1 4.34Å; V790-I815 HydrophobicContact CB-CD1 4.28Å; V790-I815 HydrophobicContact CG2-CB 4.33Å; V790-I815 HydrophobicContact CG2-CD1 4.08Å; V790-I815 HydrophobicContact CG2-CG1 4Å; V790-I815 HydrophobicContact CG2-CG2 3.43Å; V790-I815 VanDerWaalsContact CG2-CG2 3.43Å; V803-I815 CarbonylContact C-O 3.46Å; V803-I815 WeakPolarHBondContact CA-O 3.32Å; L804-I815 HydrophobicContact CB-CG2 3.81Å; L804-I815 HydrophobicContact CG-CG2 4.49Å; L804-I815 PolarHBondContact N-O 3.35Å; L804-I815 PolarHBondContact O-N 3.48Å; I815-M849 HydrophobicContact CD1-CG 4.25Å; I815-M849 HydrophobicContact CD1-SD 4.02Å; I815-M849 HydrophobicContact CG1-CG 4.45Å; I815-A850 WeakPolarHBondContact CA-O 3.48Å; I815-A850 WeakPolarHBondContact CG1-O 3.4Å; I815-Q851 HydrophobicContact CB-CG 4.14Å; I815-Q851 HydrophobicContact CD1-CG 3.84Å; I815-Q851 HydrophobicContact CG1-CG 3.77Å |
| 816 | A | 96.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | I802 V803 A828 L831 I832 M849 A850 | I802-A816 CarbonylContact O-C 3.6Å; I802-A816 WeakPolarHBondContact O-CA 3.47Å; V803-A816 HydrophobicContact CG2-CB 4.27Å; A816-A828 HydrophobicContact CB-CB 4.16Å; A816-L831 HydrophobicContact CB-CD2 4.29Å; A816-L831 HydrophobicContact CB-CG 4.48Å; A816-I832 HydrophobicContact CB-CB 4.12Å; A816-I832 HydrophobicContact CB-CD1 3.88Å; A816-I832 HydrophobicContact CB-CG1 4.46Å; A816-M849 CarbonylContact O-C 3.46Å; A816-M849 VanDerWaalsContact O-CA 3.28Å; A816-M849 WeakPolarHBondContact O-CA 3.25Å; A816-A850 PolarHBondContact N-O 3.02Å; A816-A850 PolarHBondContact O-N 3.26Å |
| 817 | G | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 135 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | I802 D848 | I802-G817 PolarHBondContact N-O 3.44Å; I802-G817 PolarHBondContact O-N 3.18Å; G817-D848 WeakPolarHBondContact CA-O 3.27Å |
| 818 | V | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 133.8 | 176 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | K794 I801 V822 T823 V826 A828 D848 | K794-V818 VanDerWaalsContact CE-O 3.32Å; K794-V818 WeakPolarHBondContact CE-O 3.49Å; K794-V818 PolarHBondContact NZ-O 3.1Å; K794-V818 VanDerWaalsContact NZ-O 3.16Å; I801-V818 HydrophobicContact CG1-CG1 4.04Å; I801-V818 HydrophobicContact CG1-CG2 4.32Å; I801-V818 HydrophobicContact CG2-CG2 4.31Å; V818-V822 HydrophobicContact CG1-CB 3.89Å; V818-V822 HydrophobicContact CG1-CG1 4.28Å; V818-T823 HydrophobicContact CB-CG2 4.28Å; V818-T823 HydrophobicContact CG1-CG2 4.06Å; V818-V826 WeakPolarHBondContact CG1-O 3.19Å; V818-V826 HydrophobicContact CG2-CG1 4.1Å; V818-A828 HydrophobicContact CG2-CB 3.89Å; V818-D848 PolarHBondContact N-O 3.43Å |
| 819 | S | 94 | Very high | 93 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 6% | 0.063 | 25% | 0.253 | C | S | . | . | trans | -67.4 | 147.7 | 174.5 | 67 | 0 | 0 | 0 | 0 | 110.6 | G798 S799 T800 D821 V822 T823 | G798-S819 VanDerWaalsContact O-CB 3.29Å; G798-S819 WeakPolarHBondContact O-CB 3.24Å; S799-S819 WeakPolarHBondContact CA-OG 3.47Å; T800-S819 PolarHBondContact N-OG 3.15Å; T800-S819 PolarHBondContact O-N 3.44Å; T800-S819 PolarHBondContact O-OG 2.88Å; S819-D821 WeakPolarHBondContact CB-OD1 3.41Å; S819-D821 PolarHBondContact O-N 2.82Å; S819-D821 VanDerWaalsContact O-N 3.15Å; S819-D821 PolarHBondContact OG-OD1 2.55Å; S819-V822 PolarHBondContact O-N 3.31Å; S819-V822 WeakPolarHBondContact OG-CG2 3.5Å; S819-T823 WeakPolarHBondContact O-CG2 3.45Å; S819-T823 PolarHBondContact O-N 3.33Å | ||
| 820 | K | 91.6 | Very high | 93.4 | Very high | 170 Ų | 170 | 44.3 Ų | 44.3 | 74% | 0.739 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -57.9 | -35.9 | -168.8 | -70.3 | -175.9 | 178.4 | 177.9 | 0 | 113.4 | V822 T823 | K820-V822 PolarHBondContact O-N 3.47Å; K820-T823 PolarHBondContact O-N 3.45Å; K820-T823 PolarHBondContact O-OG1 2.92Å |
| 821 | D | 91.7 | Very high | 93.9 | Very high | 78 Ų | 78 | 42 Ų | 42 | 42% | 0.417 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -69.4 | -7.7 | 179.4 | 64.3 | -60.2 | 0 | 0 | 0 | 114.8 | S799 S819 R825 | S799-D821 WeakPolarHBondContact CB-OD2 3.08Å; S799-D821 PolarHBondContact OG-OD2 3.47Å; S819-D821 WeakPolarHBondContact CB-OD1 3.41Å; S819-D821 PolarHBondContact O-N 2.82Å; S819-D821 VanDerWaalsContact O-N 3.15Å; S819-D821 PolarHBondContact OG-OD1 2.55Å; D821-R825 PolarHBondContact O-NH2 3.03Å |
| 822 | V | 92.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -116 | -7.7 | 178.2 | -168.6 | 0 | 0 | 0 | 0 | 112.1 | V771 I801 V818 S819 K820 D824 R825 V826 L875 | V771-V822 HydrophobicContact CG1-CG1 4.2Å; V771-V822 HydrophobicContact CG1-CG2 3.9Å; V771-V822 HydrophobicContact CG2-CG1 4.15Å; V771-V822 HydrophobicContact CG2-CG2 3.81Å; I801-V822 HydrophobicContact CD1-CG1 3.96Å; I801-V822 HydrophobicContact CG1-CG1 4.21Å; V818-V822 HydrophobicContact CG1-CB 3.89Å; V818-V822 HydrophobicContact CG1-CG1 4.28Å; S819-V822 PolarHBondContact O-N 3.31Å; S819-V822 WeakPolarHBondContact OG-CG2 3.5Å; K820-V822 PolarHBondContact O-N 3.47Å; V822-D824 PolarHBondContact O-N 2.83Å; V822-D824 VanDerWaalsContact O-N 3.14Å; V822-R825 PolarHBondContact O-N 2.88Å; V822-V826 HydrophobicContact CG1-CB 4.32Å; V822-V826 PolarHBondContact O-N 3.44Å; V822-L875 HydrophobicContact CG1-CD2 4.01Å |
| 823 | T | 92.5 | Very high | 94.2 | Very high | 34 Ų | 34 | 36.3 Ų | 36.3 | 21% | 0.209 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -18.4 | -174.7 | 57.2 | 0 | 0 | 0 | 0 | 115 | V818 S819 K820 V826 P847 D848 | V818-T823 HydrophobicContact CB-CG2 4.28Å; V818-T823 HydrophobicContact CG1-CG2 4.06Å; S819-T823 WeakPolarHBondContact O-CG2 3.45Å; S819-T823 PolarHBondContact O-N 3.33Å; K820-T823 PolarHBondContact O-N 3.45Å; K820-T823 PolarHBondContact O-OG1 2.92Å; T823-V826 WeakPolarHBondContact CA-O 3.35Å; T823-P847 HydrophobicContact CG2-CB 4.31Å; T823-D848 HydrophobicContact CG2-CB 4.16Å |
| 824 | D | 90.3 | Very high | 94.1 | Very high | 119 Ų | 119 | 36.6 Ų | 36.6 | 64% | 0.636 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -32.7 | 174 | 63.4 | -29 | 0 | 0 | 0 | 112.5 | V822 | V822-D824 PolarHBondContact O-N 2.83Å; V822-D824 VanDerWaalsContact O-N 3.14Å |
| 825 | R | 90.7 | Very high | 94.1 | Very high | 102 Ų | 102 | 36.4 Ų | 36.4 | 39% | 0.385 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -38.8 | -179.5 | -67.9 | 172.4 | -74 | 164.2 | -0.4 | 112.6 | D821 V822 L875 | D821-R825 PolarHBondContact O-NH2 3.03Å; V822-R825 PolarHBondContact O-N 2.88Å; R825-L875 HydrophobicContact CB-CD2 4.28Å |
| 826 | V | 93.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -129.7 | 117.9 | -178.2 | 174 | 0 | 0 | 0 | 0 | 110.5 | I801 V818 V822 T823 W870 K874 L875 | I801-V826 HydrophobicContact CD1-CB 3.94Å; I801-V826 HydrophobicContact CD1-CG1 3.91Å; I801-V826 HydrophobicContact CD1-CG2 3.84Å; I801-V826 HydrophobicContact CG1-CG1 4.31Å; V818-V826 WeakPolarHBondContact CG1-O 3.19Å; V818-V826 HydrophobicContact CG2-CG1 4.1Å; V822-V826 HydrophobicContact CG1-CB 4.32Å; V822-V826 PolarHBondContact O-N 3.44Å; T823-V826 WeakPolarHBondContact CA-O 3.35Å; V826-W870 HydrophobicContact CG1-CH2 4.41Å; V826-W870 HydrophobicContact CG1-CZ3 3.82Å; V826-W870 HydrophobicContact CG2-CZ3 4.39Å; V826-K874 HydrophobicContact CG2-CB 3.72Å; V826-L875 HydrophobicContact CG2-CD2 4.25Å; V826-L875 HydrophobicContact CG2-CG 4.48Å | ||
| 827 | K | 95.3 | Very high | 93.8 | Very high | 92 Ų | 92 | 43.7 Ų | 43.7 | 40% | 0.4 | 22% | 0.217 | S | C | . | . | trans | -98.4 | 129.4 | 174.7 | -62.6 | -179.5 | -164.7 | 155.4 | 0 | 110.8 | G829 E830 L831 P847 | K827-G829 PolarHBondContact O-N 3.42Å; K827-E830 HydrophobicContact CB-CB 4.45Å; K827-E830 HydrophobicContact CB-CG 4.2Å; K827-E830 WeakPolarHBondContact CD-OE1 3.41Å; K827-E830 IonicContact NZ-OE1 2.89Å; K827-E830 PolarHBondContact O-N 3.21Å; K827-E830 VanDerWaalsContact O-N 3.08Å; K827-L831 PolarHBondContact O-N 3.45Å; K827-L831 VanDerWaalsContact O-N 3.1Å; K827-P847 HydrophobicContact CG-CB 4.27Å | ||
| 828 | A | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.5 | -36.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | A816 V818 L831 I832 P847 A850 | A816-A828 HydrophobicContact CB-CB 4.16Å; V818-A828 HydrophobicContact CG2-CB 3.89Å; A828-L831 PolarHBondContact O-N 3.34Å; A828-I832 WeakPolarHBondContact O-CB 3.47Å; A828-I832 PolarHBondContact O-N 3.01Å; A828-P847 WeakPolarHBondContact CB-O 3.49Å; A828-P847 PolarHBondContact N-O 3.38Å; A828-A850 HydrophobicContact CB-CB 3.98Å |
| 829 | G | 94.5 | Very high | 93.6 | Very high | 21 Ų | 21 | 47.3 Ų | 47.3 | 22% | 0.216 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -41.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | K827 G833 | K827-G829 PolarHBondContact O-N 3.42Å; G829-G833 PolarHBondContact O-N 3.31Å |
| 830 | E | 94.2 | Very high | 93.5 | Very high | 85 Ų | 85 | 49.5 Ų | 49.5 | 40% | 0.397 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68 | -43 | 176.6 | -67.5 | 177 | -158.1 | 0 | 0 | 110.6 | K827 G833 M834 W870 K874 | K827-E830 HydrophobicContact CB-CB 4.45Å; K827-E830 HydrophobicContact CB-CG 4.2Å; K827-E830 WeakPolarHBondContact CD-OE1 3.41Å; K827-E830 IonicContact NZ-OE1 2.89Å; K827-E830 PolarHBondContact O-N 3.21Å; K827-E830 VanDerWaalsContact O-N 3.08Å; E830-G833 PolarHBondContact O-N 3.09Å; E830-M834 WeakPolarHBondContact O-CB 3.41Å; E830-M834 PolarHBondContact O-N 3.38Å; E830-M834 VanDerWaalsContact O-N 3.07Å; E830-W870 HydrophobicContact CB-CH2 4.11Å; E830-W870 HydrophobicContact CB-CZ2 4.08Å; E830-K874 IonicContact OE2-NZ 3.2Å; E830-K874 PolarHBondContact OE2-NZ 3.13Å |
| 831 | L | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -50.4 | 179 | 176 | 57.5 | 0 | 0 | 0 | 112 | I801 V803 A816 K827 A828 G833 M834 V835 V867 W870 V871 | I801-L831 HydrophobicContact CG2-CD2 3.52Å; V803-L831 HydrophobicContact CG2-CD1 4.37Å; V803-L831 HydrophobicContact CG2-CD2 3.56Å; V803-L831 HydrophobicContact CG2-CG 3.96Å; A816-L831 HydrophobicContact CB-CD2 4.29Å; A816-L831 HydrophobicContact CB-CG 4.48Å; K827-L831 PolarHBondContact O-N 3.45Å; K827-L831 VanDerWaalsContact O-N 3.1Å; A828-L831 PolarHBondContact O-N 3.34Å; L831-G833 VanDerWaalsContact C-N 3.31Å; L831-G833 PolarHBondContact O-N 3.34Å; L831-M834 HydrophobicContact CD1-CE 3.94Å; L831-M834 PolarHBondContact O-N 3.48Å; L831-V835 WeakPolarHBondContact O-CG2 3.23Å; L831-V835 PolarHBondContact O-N 3.34Å; L831-V867 HydrophobicContact CD1-CG1 3.91Å; L831-V867 HydrophobicContact CD1-CG2 4.27Å; L831-W870 HydrophobicContact CB-CH2 4.29Å; L831-W870 HydrophobicContact CB-CZ3 4.06Å; L831-W870 HydrophobicContact CD1-CE3 3.86Å; L831-W870 HydrophobicContact CD1-CZ3 4.09Å; L831-V871 HydrophobicContact CD1-CG2 4.41Å |
| 832 | I | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.1 | -35.3 | -179.8 | -152.3 | 66 | 0 | 0 | 0 | 111.3 | L814 A816 A828 M834 V835 A836 A850 A852 | L814-I832 HydrophobicContact CB-CD1 3.55Å; L814-I832 HydrophobicContact CB-CG1 4.22Å; A816-I832 HydrophobicContact CB-CB 4.12Å; A816-I832 HydrophobicContact CB-CD1 3.88Å; A816-I832 HydrophobicContact CB-CG1 4.46Å; A828-I832 WeakPolarHBondContact O-CB 3.47Å; A828-I832 PolarHBondContact O-N 3.01Å; I832-M834 VanDerWaalsContact C-N 3.34Å; I832-M834 PolarHBondContact O-N 3.46Å; I832-V835 PolarHBondContact O-N 2.92Å; I832-A836 WeakPolarHBondContact O-CB 3.38Å; I832-A836 PolarHBondContact O-N 3.48Å; I832-A850 HydrophobicContact CB-CB 4.19Å; I832-A850 HydrophobicContact CG2-CB 3.54Å; I832-A852 HydrophobicContact CG1-CB 3.64Å |
| 833 | G | 93.8 | Very high | 93.2 | Very high | 20 Ų | 20 | 49.2 Ų | 49.2 | 21% | 0.206 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G829 E830 L831 A836 Q837 | G829-G833 PolarHBondContact O-N 3.31Å; E830-G833 PolarHBondContact O-N 3.09Å; L831-G833 VanDerWaalsContact C-N 3.31Å; L831-G833 PolarHBondContact O-N 3.34Å; G833-A836 PolarHBondContact O-N 3.2Å; G833-Q837 WeakPolarHBondContact O-CG 3.37Å; G833-Q837 PolarHBondContact O-N 3.34Å |
| 834 | M | 93.5 | Very high | 93 | Very high | 34 Ų | 34 | 49.7 Ų | 49.7 | 17% | 0.167 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 175.7 | 178.9 | -78.7 | -73.7 | 0 | 0 | 112.3 | E830 L831 I832 Q838 S866 V867 W870 | E830-M834 WeakPolarHBondContact O-CB 3.41Å; E830-M834 PolarHBondContact O-N 3.38Å; E830-M834 VanDerWaalsContact O-N 3.07Å; L831-M834 HydrophobicContact CD1-CE 3.94Å; L831-M834 PolarHBondContact O-N 3.48Å; I832-M834 VanDerWaalsContact C-N 3.34Å; I832-M834 PolarHBondContact O-N 3.46Å; M834-Q838 PolarHBondContact O-NE2 3.43Å; M834-Q838 VanDerWaalsContact O-NE2 3.16Å; M834-Q838 PolarHBondContact SD-NE2 2.97Å; M834-S866 PolarHBondContact SD-OG 3.43Å; M834-S866 VanDerWaalsContact SD-OG 3.36Å; M834-V867 HydrophobicContact CE-CG2 4.3Å; M834-W870 HydrophobicContact CE-CB 3.74Å; M834-W870 HydrophobicContact CE-CD2 4.23Å; M834-W870 HydrophobicContact CE-CG 3.73Å |
| 835 | V | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.7 | -43.8 | 177.2 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | L814 L831 I832 Q837 Q838 V839 A863 L864 V867 | L814-V835 HydrophobicContact CD1-CB 4.41Å; L814-V835 HydrophobicContact CD1-CG1 3.82Å; L814-V835 HydrophobicContact CD2-CG1 4.26Å; L831-V835 WeakPolarHBondContact O-CG2 3.23Å; L831-V835 PolarHBondContact O-N 3.34Å; I832-V835 PolarHBondContact O-N 2.92Å; V835-Q837 VanDerWaalsContact C-N 3.34Å; V835-Q837 PolarHBondContact O-N 3.07Å; V835-Q838 PolarHBondContact O-N 3.48Å; V835-Q838 VanDerWaalsContact O-N 3.16Å; V835-V839 PolarHBondContact O-N 3.41Å; V835-A863 HydrophobicContact CG1-CB 4.03Å; V835-L864 HydrophobicContact CG1-CD2 4.38Å; V835-V867 HydrophobicContact CG2-CG2 3.48Å; V835-V867 VanDerWaalsContact CG2-CG2 3.48Å |
| 836 | A | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60 | -41.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | L814 I832 G833 Q838 V839 G840 G841 A852 | L814-A836 HydrophobicContact CD1-CB 4.26Å; I832-A836 WeakPolarHBondContact O-CB 3.38Å; I832-A836 PolarHBondContact O-N 3.48Å; G833-A836 PolarHBondContact O-N 3.2Å; A836-Q838 PolarHBondContact O-N 2.84Å; A836-V839 CarbonylContact O-C 3.44Å; A836-V839 VanDerWaalsContact O-CG2 3.28Å; A836-V839 WeakPolarHBondContact O-CG2 3.1Å; A836-V839 PolarHBondContact O-N 2.75Å; A836-V839 VanDerWaalsContact O-N 3.08Å; A836-G840 PolarHBondContact O-N 3.46Å; A836-G841 CarbonylContact C-O 3.48Å; A836-G841 CarbonylContact O-C 3.38Å; A836-G841 VanDerWaalsContact O-CA 3.24Å; A836-G841 WeakPolarHBondContact O-CA 3.38Å; A836-G841 PolarHBondContact O-N 3.47Å; A836-A852 HydrophobicContact CB-CB 3.56Å |
| 837 | Q | 93.6 | Very high | 93.1 | Very high | 153 Ų | 153 | 51.9 Ų | 51.9 | 72% | 0.715 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -57.6 | -35.5 | 177.7 | -80.6 | 178.1 | -4.1 | 0 | 0 | 112.9 | G833 V835 V839 G840 | G833-Q837 WeakPolarHBondContact O-CG 3.37Å; G833-Q837 PolarHBondContact O-N 3.34Å; V835-Q837 VanDerWaalsContact C-N 3.34Å; V835-Q837 PolarHBondContact O-N 3.07Å; Q837-V839 VanDerWaalsContact C-N 3.33Å; Q837-G840 PolarHBondContact O-N 3.13Å |
| 838 | Q | 95.2 | Very high | 93.1 | Very high | 76 Ų | 76 | 49 Ų | 49 | 36% | 0.355 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -73.1 | -25.3 | 179.7 | -69.9 | 173.6 | 79.2 | 0 | 0 | 112.8 | M834 V835 A836 A859 A863 S866 | M834-Q838 PolarHBondContact O-NE2 3.43Å; M834-Q838 VanDerWaalsContact O-NE2 3.16Å; M834-Q838 PolarHBondContact SD-NE2 2.97Å; V835-Q838 PolarHBondContact O-N 3.48Å; V835-Q838 VanDerWaalsContact O-N 3.16Å; A836-Q838 PolarHBondContact O-N 2.84Å; Q838-A859 WeakPolarHBondContact O-CB 3.3Å; Q838-A863 HydrophobicContact CB-CB 3.6Å; Q838-S866 PolarHBondContact NE2-OG 2.84Å |
| 839 | V | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 22.2 | 178.1 | -61.2 | 0 | 0 | 0 | 0 | 113.2 | V812 L814 V835 A836 Q837 G841 G854 T855 D856 A859 L860 A863 | V812-V839 HydrophobicContact CG1-CG2 4.41Å; L814-V839 HydrophobicContact CD1-CG2 3.84Å; V835-V839 PolarHBondContact O-N 3.41Å; A836-V839 CarbonylContact O-C 3.44Å; A836-V839 VanDerWaalsContact O-CG2 3.28Å; A836-V839 WeakPolarHBondContact O-CG2 3.1Å; A836-V839 PolarHBondContact O-N 2.75Å; A836-V839 VanDerWaalsContact O-N 3.08Å; Q837-V839 VanDerWaalsContact C-N 3.33Å; V839-G841 VanDerWaalsContact C-N 3.28Å; V839-G841 PolarHBondContact O-N 3Å; V839-G854 CarbonylContact O-C 3.53Å; V839-G854 WeakPolarHBondContact O-CA 3.37Å; V839-T855 PolarHBondContact O-N 2.83Å; V839-D856 PolarHBondContact O-N 3.5Å; V839-A859 HydrophobicContact CG1-CB 4.4Å; V839-L860 HydrophobicContact CG1-CB 4.1Å; V839-L860 HydrophobicContact CG1-CD1 4.1Å; V839-A863 HydrophobicContact CG1-CB 3.78Å |
| 840 | G | 91.8 | Very high | 93.2 | Very high | 56 Ų | 56 | 49.2 Ų | 49.2 | 58% | 0.577 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 24.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A836 Q837 | A836-G840 PolarHBondContact O-N 3.46Å; Q837-G840 PolarHBondContact O-N 3.13Å |
| 841 | G | 91.5 | Very high | 93.3 | Very high | 12 Ų | 12 | 48.6 Ų | 48.6 | 12% | 0.124 | 29% | 0.286 | C | S | . | . | trans | -116.4 | 173.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A836 V839 G853 | A836-G841 CarbonylContact C-O 3.48Å; A836-G841 CarbonylContact O-C 3.38Å; A836-G841 VanDerWaalsContact O-CA 3.24Å; A836-G841 WeakPolarHBondContact O-CA 3.38Å; A836-G841 PolarHBondContact O-N 3.47Å; V839-G841 VanDerWaalsContact C-N 3.28Å; V839-G841 PolarHBondContact O-N 3Å; G841-G853 WeakPolarHBondContact CA-O 3.49Å | ||
| 842 | K | 90 | Very high | 93.3 | Very high | 193 Ų | 193 | 49.2 Ų | 49.2 | 84% | 0.839 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 149.9 | 167.7 | -66.8 | -176.3 | -177.7 | 178 | 0 | 109.1 | G853 | K842-G853 PolarHBondContact N-O 3.09Å |
| 843 | G | 87.2 | Confident | 93.1 | Very high | 37 Ų | 37 | 50.9 Ų | 50.9 | 38% | 0.381 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 173.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q851 | G843-Q851 CarbonylContact C-O 3.59Å; G843-Q851 WeakPolarHBondContact CA-O 3.2Å |
| 844 | G | 89 | Confident | 93.1 | Very high | 44 Ų | 44 | 50.3 Ų | 50.3 | 45% | 0.454 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.8 | 170.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q851 | G844-Q851 PolarHBondContact N-O 3.12Å; G844-Q851 PolarHBondContact O-N 3.3Å; G844-Q851 VanDerWaalsContact O-N 3.17Å |
| 845 | G | 91.4 | Very high | 93 | Very high | 55 Ų | 55 | 53.9 Ų | 53.9 | 57% | 0.567 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 163 | -166.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M849 | G845-M849 CarbonylContact C-O 3.52Å |
| 846 | R | 93 | Very high | 92.8 | Very high | 145 Ų | 145 | 57.2 Ų | 57.2 | 55% | 0.547 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 162.9 | -178.3 | -61 | -176.3 | -51.7 | -171.7 | 4.7 | 110.5 | D848 M849 | R846-D848 WeakPolarHBondContact CB-OD1 3.23Å; R846-D848 IonicContact CZ-OD1 2.85Å; R846-D848 IonicContact CZ-OD2 3.98Å; R846-D848 IonicContact NE-OD1 3.57Å; R846-D848 PolarHBondContact NE-OD1 3.47Å; R846-D848 IonicContact NH2-OD1 3.94Å; R846-D848 IonicContact NH2-OD2 3.8Å; R846-D848 PolarHBondContact NH2-OD2 2.93Å; R846-D848 PolarHBondContact O-N 3.08Å; R846-D848 VanDerWaalsContact O-N 3.15Å; R846-M849 PolarHBondContact N-O 3.37Å; R846-M849 CarbonylContact O-C 3.55Å; R846-M849 PolarHBondContact O-N 2.86Å; R846-M849 VanDerWaalsContact O-O 3.09Å |
| 847 | P | 93 | Very high | 92.6 | Very high | 67 Ų | 67 | 59 Ų | 59 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -30.3 | 175.5 | -28.2 | 36.8 | 0 | 0 | 0 | 114.4 | T823 K827 A828 | T823-P847 HydrophobicContact CG2-CB 4.31Å; K827-P847 HydrophobicContact CG-CB 4.27Å; A828-P847 WeakPolarHBondContact CB-O 3.49Å; A828-P847 PolarHBondContact N-O 3.38Å |
| 848 | D | 94.6 | Very high | 92.5 | Very high | 32 Ų | 32 | 56 Ų | 56 | 17% | 0.171 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -16.6 | -177.4 | 70.7 | -44.7 | 0 | 0 | 0 | 114.5 | K794 G817 V818 T823 R846 | K794-D848 PolarHBondContact NZ-O 2.81Å; G817-D848 WeakPolarHBondContact CA-O 3.27Å; V818-D848 PolarHBondContact N-O 3.43Å; T823-D848 HydrophobicContact CG2-CB 4.16Å; R846-D848 WeakPolarHBondContact CB-OD1 3.23Å; R846-D848 IonicContact CZ-OD1 2.85Å; R846-D848 IonicContact CZ-OD2 3.98Å; R846-D848 IonicContact NE-OD1 3.57Å; R846-D848 PolarHBondContact NE-OD1 3.47Å; R846-D848 IonicContact NH2-OD1 3.94Å; R846-D848 IonicContact NH2-OD2 3.8Å; R846-D848 PolarHBondContact NH2-OD2 2.93Å; R846-D848 PolarHBondContact O-N 3.08Å; R846-D848 VanDerWaalsContact O-N 3.15Å |
| 849 | M | 96.2 | Very high | 92.4 | Very high | 23 Ų | 23 | 53.5 Ų | 53.5 | 11% | 0.113 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 130.1 | 179.6 | -174.5 | 161.9 | 62.3 | 0 | 0 | 112.4 | R787 I815 A816 G845 R846 | R787-M849 HydrophobicContact CG-CE 4.06Å; R787-M849 HydrophobicContact CG-SD 3.88Å; I815-M849 HydrophobicContact CD1-CG 4.25Å; I815-M849 HydrophobicContact CD1-SD 4.02Å; I815-M849 HydrophobicContact CG1-CG 4.45Å; A816-M849 CarbonylContact O-C 3.46Å; A816-M849 VanDerWaalsContact O-CA 3.28Å; A816-M849 WeakPolarHBondContact O-CA 3.25Å; G845-M849 CarbonylContact C-O 3.52Å; R846-M849 PolarHBondContact N-O 3.37Å; R846-M849 CarbonylContact O-C 3.55Å; R846-M849 PolarHBondContact O-N 2.86Å; R846-M849 VanDerWaalsContact O-O 3.09Å |
| 850 | A | 96.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 2% | 0.017 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 152.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I815 A816 A828 I832 | I815-A850 WeakPolarHBondContact CA-O 3.48Å; I815-A850 WeakPolarHBondContact CG1-O 3.4Å; A816-A850 PolarHBondContact N-O 3.02Å; A816-A850 PolarHBondContact O-N 3.26Å; A828-A850 HydrophobicContact CB-CB 3.98Å; I832-A850 HydrophobicContact CB-CB 4.19Å; I832-A850 HydrophobicContact CG2-CB 3.54Å |
| 851 | Q | 96.2 | Very high | 92.3 | Very high | 71 Ų | 71 | 54.6 Ų | 54.6 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 151 | -177.5 | -71.1 | 178.5 | -45.7 | 0 | 0 | 110.3 | L814 I815 G843 G844 | L814-Q851 WeakPolarHBondContact O-CA 3.39Å; I815-Q851 HydrophobicContact CB-CG 4.14Å; I815-Q851 HydrophobicContact CD1-CG 3.84Å; I815-Q851 HydrophobicContact CG1-CG 3.77Å; G843-Q851 CarbonylContact C-O 3.59Å; G843-Q851 WeakPolarHBondContact CA-O 3.2Å; G844-Q851 PolarHBondContact N-O 3.12Å; G844-Q851 PolarHBondContact O-N 3.3Å; G844-Q851 VanDerWaalsContact O-N 3.17Å |
| 852 | A | 94.7 | Very high | 92.4 | Very high | 14 Ų | 14 | 57.1 Ų | 57.1 | 12% | 0.116 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 163.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | L814 I832 A836 | L814-A852 HydrophobicContact CB-CB 4.17Å; L814-A852 HydrophobicContact CD1-CB 4.14Å; L814-A852 PolarHBondContact N-O 3.36Å; L814-A852 PolarHBondContact O-N 3.3Å; I832-A852 HydrophobicContact CG1-CB 3.64Å; A836-A852 HydrophobicContact CB-CB 3.56Å |
| 853 | G | 91.9 | Very high | 92.5 | Very high | 35 Ų | 35 | 47.9 Ų | 47.9 | 36% | 0.361 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 159.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V812 G841 K842 | V812-G853 CarbonylContact O-C 3.51Å; V812-G853 WeakPolarHBondContact O-CA 3.44Å; G841-G853 WeakPolarHBondContact CA-O 3.49Å; K842-G853 PolarHBondContact N-O 3.09Å |
| 854 | G | 92.5 | Very high | 92.8 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 7% | 0.072 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 163.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V812 V839 | V812-G854 PolarHBondContact N-O 3.05Å; V812-G854 PolarHBondContact O-N 3.26Å; V839-G854 CarbonylContact O-C 3.53Å; V839-G854 WeakPolarHBondContact O-CA 3.37Å |
| 855 | T | 91.8 | Very high | 93 | Very high | 109 Ų | 109 | 48.4 Ų | 48.4 | 67% | 0.669 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -112.9 | -13.4 | -179.2 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | V839 A857 | V839-T855 PolarHBondContact O-N 2.83Å; T855-A857 PolarHBondContact O-N 2.77Å |
| 856 | D | 91.7 | Very high | 93.1 | Very high | 71 Ų | 71 | 47.5 Ų | 47.5 | 38% | 0.38 | 31% | 0.308 | S | S | . | . | trans | -98.8 | 86.3 | 178.4 | -169.5 | -12.3 | 0 | 0 | 0 | 110.5 | V839 A858 A859 | V839-D856 PolarHBondContact O-N 3.5Å; D856-A858 PolarHBondContact O-N 3.01Å; D856-A858 WeakPolarHBondContact OD1-CB 3.1Å; D856-A858 PolarHBondContact OD1-N 2.78Å; D856-A859 HydrophobicContact CB-CB 4.14Å; D856-A859 PolarHBondContact O-N 2.74Å; D856-A859 PolarHBondContact OD1-N 3.23Å; D856-A859 WeakPolarHBondContact OD2-CB 3.28Å | ||
| 857 | A | 89.3 | Confident | 93.2 | Very high | 36 Ų | 36 | 40.6 Ų | 40.6 | 30% | 0.298 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -65.9 | -24.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | V807 V812 T855 L860 | V807-A857 HydrophobicContact CG1-CB 3.94Å; V807-A857 HydrophobicContact CG2-CB 4.29Å; V812-A857 HydrophobicContact CG2-CB 4.02Å; T855-A857 PolarHBondContact O-N 2.77Å; A857-L860 WeakPolarHBondContact O-CB 3.31Å; A857-L860 PolarHBondContact O-N 3.35Å |
| 858 | A | 91 | Very high | 93.2 | Very high | 91 Ų | 91 | 42.8 Ų | 42.8 | 75% | 0.752 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -73.9 | -30.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D856 L860 P861 | D856-A858 PolarHBondContact O-N 3.01Å; D856-A858 WeakPolarHBondContact OD1-CB 3.1Å; D856-A858 PolarHBondContact OD1-N 2.78Å; A858-L860 VanDerWaalsContact C-N 3.31Å; A858-P861 WeakPolarHBondContact O-CD 3.34Å |
| 859 | A | 92.7 | Very high | 93 | Very high | 24 Ų | 24 | 43.6 Ų | 43.6 | 20% | 0.198 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -77 | -14.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q838 V839 D856 A862 A863 | Q838-A859 WeakPolarHBondContact O-CB 3.3Å; V839-A859 HydrophobicContact CG1-CB 4.4Å; D856-A859 HydrophobicContact CB-CB 4.14Å; D856-A859 PolarHBondContact O-N 2.74Å; D856-A859 PolarHBondContact OD1-N 3.23Å; D856-A859 WeakPolarHBondContact OD2-CB 3.28Å; A859-A862 PolarHBondContact O-N 3.07Å; A859-A863 WeakPolarHBondContact O-CB 3.34Å; A859-A863 PolarHBondContact O-N 2.96Å |
| 860 | L | 91.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.6 | -45 | -173.3 | 179.3 | 62.3 | 0 | 0 | 0 | 114.2 | E777 A805 V807 V812 L814 V839 A857 A858 A862 A863 L864 | E777-L860 HydrophobicContact CG-CD2 3.93Å; A805-L860 HydrophobicContact CB-CD1 3.83Å; A805-L860 HydrophobicContact CB-CD2 3.94Å; A805-L860 HydrophobicContact CB-CG 4.4Å; V807-L860 HydrophobicContact CG2-CD2 3.66Å; V812-L860 HydrophobicContact CG1-CD1 3.88Å; V812-L860 HydrophobicContact CG1-CD2 4.07Å; V812-L860 HydrophobicContact CG1-CG 4.49Å; L814-L860 HydrophobicContact CD2-CD1 3.79Å; V839-L860 HydrophobicContact CG1-CB 4.1Å; V839-L860 HydrophobicContact CG1-CD1 4.1Å; A857-L860 WeakPolarHBondContact O-CB 3.31Å; A857-L860 PolarHBondContact O-N 3.35Å; A858-L860 VanDerWaalsContact C-N 3.31Å; L860-A862 VanDerWaalsContact C-N 3.33Å; L860-A862 PolarHBondContact O-N 3.21Å; L860-A863 WeakPolarHBondContact O-CB 3.29Å; L860-A863 PolarHBondContact O-N 3.11Å; L860-L864 HydrophobicContact CD1-CD1 4Å; L860-L864 HydrophobicContact CD1-CD2 4.24Å; L860-L864 HydrophobicContact CD1-CG 3.81Å; L860-L864 HydrophobicContact CG-CD1 4.08Å; L860-L864 HydrophobicContact CG-CG 4.3Å; L860-L864 WeakPolarHBondContact O-CG 3.22Å; L860-L864 PolarHBondContact O-N 3.26Å |
| 861 | P | 92.3 | Very high | 92.7 | Very high | 78 Ų | 78 | 45.1 Ų | 45.1 | 51% | 0.506 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.3 | -41.1 | 179.7 | -25.9 | 36.3 | 0 | 0 | 0 | 113.2 | A858 A865 | A858-P861 WeakPolarHBondContact O-CD 3.34Å; P861-A865 WeakPolarHBondContact O-CB 3.39Å; P861-A865 PolarHBondContact O-N 2.81Å |
| 862 | A | 92.7 | Very high | 92.5 | Very high | 65 Ų | 65 | 43.2 Ų | 43.2 | 54% | 0.537 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.5 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A859 L860 L864 A865 S866 | A859-A862 PolarHBondContact O-N 3.07Å; L860-A862 VanDerWaalsContact C-N 3.33Å; L860-A862 PolarHBondContact O-N 3.21Å; A862-L864 PolarHBondContact O-N 3.25Å; A862-A865 PolarHBondContact O-N 3.28Å; A862-S866 PolarHBondContact O-N 3.07Å; A862-S866 VanDerWaalsContact O-N 3.1Å |
| 863 | A | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | V835 Q838 V839 A859 L860 S866 | V835-A863 HydrophobicContact CG1-CB 4.03Å; Q838-A863 HydrophobicContact CB-CB 3.6Å; V839-A863 HydrophobicContact CG1-CB 3.78Å; A859-A863 WeakPolarHBondContact O-CB 3.34Å; A859-A863 PolarHBondContact O-N 2.96Å; L860-A863 WeakPolarHBondContact O-CB 3.29Å; L860-A863 PolarHBondContact O-N 3.11Å; A863-S866 PolarHBondContact O-N 2.98Å; A863-S866 PolarHBondContact O-OG 3.18Å |
| 864 | L | 93.5 | Very high | 92.2 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.5 | -39.3 | 175.7 | -68 | 179.5 | 0 | 0 | 0 | 112.3 | V775 E777 V803 A805 V835 L860 A862 S866 V867 | V775-L864 HydrophobicContact CG1-CB 3.79Å; V775-L864 HydrophobicContact CG1-CD2 3.76Å; V775-L864 HydrophobicContact CG1-CG 4.24Å; E777-L864 HydrophobicContact CB-CD1 3.87Å; V803-L864 HydrophobicContact CG1-CD2 3.91Å; A805-L864 HydrophobicContact CB-CD1 4.17Å; A805-L864 HydrophobicContact CB-CD2 4.31Å; V835-L864 HydrophobicContact CG1-CD2 4.38Å; L860-L864 HydrophobicContact CD1-CD1 4Å; L860-L864 HydrophobicContact CD1-CD2 4.24Å; L860-L864 HydrophobicContact CD1-CG 3.81Å; L860-L864 HydrophobicContact CG-CD1 4.08Å; L860-L864 HydrophobicContact CG-CG 4.3Å; L860-L864 WeakPolarHBondContact O-CG 3.22Å; L860-L864 PolarHBondContact O-N 3.26Å; A862-L864 PolarHBondContact O-N 3.25Å; L864-S866 PolarHBondContact O-N 3.17Å; L864-V867 WeakPolarHBondContact O-CB 3.43Å; L864-V867 WeakPolarHBondContact O-CG2 2.96Å; L864-V867 PolarHBondContact O-N 2.74Å |
| 865 | A | 92.9 | Very high | 92 | Very high | 75 Ų | 75 | 48.2 Ų | 48.2 | 62% | 0.62 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.9 | -31.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | P861 A862 V867 | P861-A865 WeakPolarHBondContact O-CB 3.39Å; P861-A865 PolarHBondContact O-N 2.81Å; A862-A865 PolarHBondContact O-N 3.28Å; A865-V867 PolarHBondContact O-N 3.49Å |
| 866 | S | 94.1 | Very high | 91.3 | Very high | 37 Ų | 37 | 53.1 Ų | 53.1 | 26% | 0.259 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64 | -24.7 | 178 | 79.3 | 0 | 0 | 0 | 0 | 113.8 | M834 Q838 A862 A863 L864 K868 G869 W870 | M834-S866 PolarHBondContact SD-OG 3.43Å; M834-S866 VanDerWaalsContact SD-OG 3.36Å; Q838-S866 PolarHBondContact NE2-OG 2.84Å; A862-S866 PolarHBondContact O-N 3.07Å; A862-S866 VanDerWaalsContact O-N 3.1Å; A863-S866 PolarHBondContact O-N 2.98Å; A863-S866 PolarHBondContact O-OG 3.18Å; L864-S866 PolarHBondContact O-N 3.17Å; S866-K868 PolarHBondContact O-N 2.87Å; S866-G869 PolarHBondContact O-N 3.02Å; S866-W870 PolarHBondContact O-N 2.92Å |
| 867 | V | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.6 | -44.8 | -174.6 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | L773 V775 V803 L831 M834 V835 L864 A865 G869 W870 V871 | L773-V867 HydrophobicContact CD1-CG1 4.05Å; V775-V867 HydrophobicContact CG1-CB 4.43Å; V775-V867 HydrophobicContact CG1-CG2 4.37Å; V775-V867 HydrophobicContact CG2-CB 3.91Å; V775-V867 HydrophobicContact CG2-CG1 3.5Å; V775-V867 VanDerWaalsContact CG2-CG1 3.5Å; V803-V867 HydrophobicContact CG2-CG1 4.1Å; V803-V867 HydrophobicContact CG2-CG2 4.38Å; L831-V867 HydrophobicContact CD1-CG1 3.91Å; L831-V867 HydrophobicContact CD1-CG2 4.27Å; M834-V867 HydrophobicContact CE-CG2 4.3Å; V835-V867 HydrophobicContact CG2-CG2 3.48Å; V835-V867 VanDerWaalsContact CG2-CG2 3.48Å; L864-V867 WeakPolarHBondContact O-CB 3.43Å; L864-V867 WeakPolarHBondContact O-CG2 2.96Å; L864-V867 PolarHBondContact O-N 2.74Å; A865-V867 PolarHBondContact O-N 3.49Å; V867-G869 PolarHBondContact O-N 3.01Å; V867-W870 PolarHBondContact O-N 2.97Å; V867-V871 HydrophobicContact CG1-CG2 3.96Å; V867-V871 WeakPolarHBondContact O-CB 3.4Å; V867-V871 WeakPolarHBondContact O-CG2 3.3Å; V867-V871 PolarHBondContact O-N 2.77Å |
| 868 | K | 92.4 | Very high | 91.4 | Very high | 113 Ų | 113 | 53.1 Ų | 53.1 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | -175.9 | -177.4 | -179.8 | 178.5 | 177.2 | 0 | 112.2 | I766 L773 S866 S872 | I766-K868 HydrophobicContact CD1-CD 3.71Å; I766-K868 HydrophobicContact CD1-CG 4.26Å; L773-K868 HydrophobicContact CD2-CB 4.02Å; L773-K868 HydrophobicContact CD2-CG 4.13Å; S866-K868 PolarHBondContact O-N 2.87Å; K868-S872 WeakPolarHBondContact O-CB 3.42Å; K868-S872 PolarHBondContact O-N 3Å; K868-S872 PolarHBondContact O-OG 3.06Å |
| 869 | G | 91.1 | Very high | 91.4 | Very high | 48 Ų | 48 | 50.9 Ų | 50.9 | 50% | 0.495 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S866 V867 S872 A873 | S866-G869 PolarHBondContact O-N 3.02Å; V867-G869 PolarHBondContact O-N 3.01Å; G869-S872 PolarHBondContact O-N 3.44Å; G869-A873 PolarHBondContact O-N 2.93Å; G869-A873 VanDerWaalsContact O-N 3.12Å |
| 870 | W | 93.6 | Very high | 91.3 | Very high | 58 Ų | 58 | 52.5 Ų | 52.5 | 22% | 0.22 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 178.1 | -171.3 | 96.8 | 0 | 0 | 0 | 112.5 | V826 E830 L831 M834 S866 V867 A873 K874 | V826-W870 HydrophobicContact CG1-CH2 4.41Å; V826-W870 HydrophobicContact CG1-CZ3 3.82Å; V826-W870 HydrophobicContact CG2-CZ3 4.39Å; E830-W870 HydrophobicContact CB-CH2 4.11Å; E830-W870 HydrophobicContact CB-CZ2 4.08Å; L831-W870 HydrophobicContact CB-CH2 4.29Å; L831-W870 HydrophobicContact CB-CZ3 4.06Å; L831-W870 HydrophobicContact CD1-CE3 3.86Å; L831-W870 HydrophobicContact CD1-CZ3 4.09Å; M834-W870 HydrophobicContact CE-CB 3.74Å; M834-W870 HydrophobicContact CE-CD2 4.23Å; M834-W870 HydrophobicContact CE-CG 3.73Å; S866-W870 PolarHBondContact O-N 2.92Å; V867-W870 PolarHBondContact O-N 2.97Å; W870-A873 PolarHBondContact O-N 2.99Å; W870-K874 HydrophobicContact CD2-CG 4.32Å; W870-K874 HydrophobicContact CE3-CG 4.09Å; W870-K874 HydrophobicContact CH2-CD 4.32Å; W870-K874 HydrophobicContact CH2-CG 3.96Å; W870-K874 HydrophobicContact CZ2-CD 4.4Å; W870-K874 HydrophobicContact CZ2-CG 4.19Å; W870-K874 HydrophobicContact CZ3-CG 3.9Å; W870-K874 WeakPolarHBondContact O-CG 3.44Å; W870-K874 PolarHBondContact O-N 2.68Å |
| 871 | V | 92.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 177.5 | 169 | 0 | 0 | 0 | 0 | 111 | L773 I801 L831 V867 A873 K874 L875 | L773-V871 HydrophobicContact CD1-CG1 4.48Å; L773-V871 HydrophobicContact CD1-CG2 4.12Å; L773-V871 HydrophobicContact CD2-CB 4.29Å; L773-V871 HydrophobicContact CD2-CG1 4.35Å; I801-V871 HydrophobicContact CD1-CG1 3.6Å; I801-V871 HydrophobicContact CD1-CG2 4.36Å; I801-V871 HydrophobicContact CG2-CG2 4.26Å; L831-V871 HydrophobicContact CD1-CG2 4.41Å; V867-V871 HydrophobicContact CG1-CG2 3.96Å; V867-V871 WeakPolarHBondContact O-CB 3.4Å; V867-V871 WeakPolarHBondContact O-CG2 3.3Å; V867-V871 PolarHBondContact O-N 2.77Å; V871-A873 VanDerWaalsContact C-N 3.29Å; V871-A873 PolarHBondContact O-N 2.65Å; V871-K874 PolarHBondContact O-N 2.98Å; V871-K874 VanDerWaalsContact O-N 3.11Å; V871-L875 HydrophobicContact CG1-CD1 3.6Å; V871-L875 HydrophobicContact CG1-CG 4.22Å; V871-L875 WeakPolarHBondContact O-CG 3.45Å; V871-L875 PolarHBondContact O-N 3.41Å; V871-L875 VanDerWaalsContact O-N 3.1Å |
| 872 | S | 91.3 | Very high | 91.2 | Very high | 31 Ų | 31 | 54.3 Ų | 54.3 | 22% | 0.217 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 178.6 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | V768 K868 G869 K874 L875 Q876 | V768-S872 WeakPolarHBondContact CG1-OG 3.36Å; K868-S872 WeakPolarHBondContact O-CB 3.42Å; K868-S872 PolarHBondContact O-N 3Å; K868-S872 PolarHBondContact O-OG 3.06Å; G869-S872 PolarHBondContact O-N 3.44Å; S872-K874 VanDerWaalsContact C-N 3.31Å; S872-K874 PolarHBondContact O-N 3.22Å; S872-L875 PolarHBondContact O-N 3.2Å; S872-Q876 PolarHBondContact O-N 2.61Å |
| 873 | A | 90.2 | Very high | 91.1 | Very high | 66 Ų | 66 | 53.6 Ų | 53.6 | 55% | 0.545 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.1 | -26.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | G869 W870 V871 | G869-A873 PolarHBondContact O-N 2.93Å; G869-A873 VanDerWaalsContact O-N 3.12Å; W870-A873 PolarHBondContact O-N 2.99Å; V871-A873 VanDerWaalsContact C-N 3.29Å; V871-A873 PolarHBondContact O-N 2.65Å |
| 874 | K | 90.2 | Very high | 90.9 | Very high | 80 Ų | 80 | 57.7 Ų | 57.7 | 35% | 0.348 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -84.6 | -18.3 | 176.6 | -72.2 | -79.3 | -175.3 | 158.6 | 0 | 113.4 | V826 E830 W870 V871 S872 | V826-K874 HydrophobicContact CG2-CB 3.72Å; E830-K874 IonicContact OE2-NZ 3.2Å; E830-K874 PolarHBondContact OE2-NZ 3.13Å; W870-K874 HydrophobicContact CD2-CG 4.32Å; W870-K874 HydrophobicContact CE3-CG 4.09Å; W870-K874 HydrophobicContact CH2-CD 4.32Å; W870-K874 HydrophobicContact CH2-CG 3.96Å; W870-K874 HydrophobicContact CZ2-CD 4.4Å; W870-K874 HydrophobicContact CZ2-CG 4.19Å; W870-K874 HydrophobicContact CZ3-CG 3.9Å; W870-K874 WeakPolarHBondContact O-CG 3.44Å; W870-K874 PolarHBondContact O-N 2.68Å; V871-K874 PolarHBondContact O-N 2.98Å; V871-K874 VanDerWaalsContact O-N 3.11Å; S872-K874 VanDerWaalsContact C-N 3.31Å; S872-K874 PolarHBondContact O-N 3.22Å |
| 875 | L | 87.6 | Confident | 90.7 | Very high | 15 Ų | 15 | 61.2 Ų | 61.2 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | trans | -101.2 | -2.4 | -179.5 | -66 | 177.2 | 0 | 0 | 0 | 113.6 | V768 N769 V771 I801 V822 R825 V826 V871 S872 | V768-L875 HydrophobicContact CB-CD1 4.38Å; V768-L875 HydrophobicContact CG1-CD1 4.12Å; V768-L875 WeakPolarHBondContact O-CD1 3.46Å; N769-L875 HydrophobicContact CB-CB 4.06Å; N769-L875 PolarHBondContact ND2-O 3.37Å; V771-L875 HydrophobicContact CB-CD1 3.94Å; V771-L875 HydrophobicContact CG2-CD1 4.15Å; V771-L875 HydrophobicContact CG2-CD2 4.12Å; I801-L875 HydrophobicContact CD1-CD1 4.37Å; V822-L875 HydrophobicContact CG1-CD2 4.01Å; R825-L875 HydrophobicContact CB-CD2 4.28Å; V826-L875 HydrophobicContact CG2-CD2 4.25Å; V826-L875 HydrophobicContact CG2-CG 4.48Å; V871-L875 HydrophobicContact CG1-CD1 3.6Å; V871-L875 HydrophobicContact CG1-CG 4.22Å; V871-L875 WeakPolarHBondContact O-CG 3.45Å; V871-L875 PolarHBondContact O-N 3.41Å; V871-L875 VanDerWaalsContact O-N 3.1Å; S872-L875 PolarHBondContact O-N 3.2Å | ||
| 876 | Q | 77.6 | Confident | 90.5 | Very high | 211 Ų | 211 | 59.9 Ų | 59.9 | 99% | 0.986 | 33% | 0.331 | S | S | * | . | trans | -82.9 | 0 | 164.4 | -75 | -180 | -6.7 | 0 | 0 | 109.4 | S872 | S872-Q876 PolarHBondContact O-N 2.61Š|
Retrieved 876 of 876 residues in 752.7 ms
(Link to these results)