| 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 | 33.3 | Very low | 74.2 | Confident | 239 Ų | 239 | 104 Ų | 104 | 100% | 1.177 | 55% | 0.554 | S | S | * | * | 0 | 106.6 | 0 | -145.2 | 173.8 | 174.4 | 0 | 0 | 106.9 | K3 | M1-K3 PolarHBondContact O-N 2.67Å; M1-K3 VanDerWaalsContact O-N 3.11Å | |||
| 2 | E | 41 | Very low | 75.5 | Confident | 181 Ų | 181 | 104.8 Ų | 104.8 | 85% | 0.846 | 56% | 0.557 | S | S | * | * | trans | -66.9 | 109.1 | 179.4 | -139.6 | 165.9 | -155.2 | 0 | 0 | 107.2 | T4 | E2-T4 PolarHBondContact O-N 2.81Å; E2-T4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | K | 57.6 | Low | 76.8 | Confident | 200 Ų | 200 | 97.8 Ų | 97.8 | 87% | 0.87 | 52% | 0.52 | S | S | * | . | trans | -62.1 | 115.5 | -178.3 | -82.7 | -177.7 | 177.7 | 176.4 | 0 | 108.2 | M1 R5 | M1-K3 PolarHBondContact O-N 2.67Å; M1-K3 VanDerWaalsContact O-N 3.11Å; K3-R5 PolarHBondContact O-N 2.59Å | ||
| 4 | T | 70.9 | Confident | 77.9 | Confident | 134 Ų | 134 | 90.9 Ų | 90.9 | 82% | 0.822 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 120.6 | 174.7 | -24.1 | 0 | 0 | 0 | 0 | 108.7 | E2 | E2-T4 PolarHBondContact O-N 2.81Å; E2-T4 VanDerWaalsContact O-N 3.08Å |
| 5 | R | 83.1 | Confident | 79 | Confident | 31 Ų | 31 | 85.9 Ų | 85.9 | 12% | 0.117 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 135.6 | 179.7 | 156.3 | 173.5 | -82 | -161.8 | -9.6 | 109.7 | K3 R70 S264 Y265 D420 | K3-R5 PolarHBondContact O-N 2.59Å; R5-R70 VanDerWaalsContact NH1-C 3.29Å; R5-R70 PolarHBondContact NH1-O 3.31Å; R5-R70 VanDerWaalsContact NH1-O 3.1Å; R5-R70 PolarHBondContact O-NH2 3.43Å; R5-S264 VanDerWaalsContact CD-O 3.27Å; R5-S264 WeakPolarHBondContact CD-O 3.3Å; R5-S264 PolarHBondContact NH1-O 3.11Å; R5-S264 PolarHBondContact NH1-OG 3.15Å; R5-Y265 HydrophobicContact CG-CD1 3.61Å; R5-Y265 HydrophobicContact CG-CE1 3.82Å; R5-D420 IonicContact CZ-OD1 3.34Å; R5-D420 IonicContact CZ-OD2 3.5Å; R5-D420 IonicContact NH2-OD1 3.03Å; R5-D420 PolarHBondContact NH2-OD1 3.25Å; R5-D420 IonicContact NH2-OD2 3.91Å; R5-D420 PolarHBondContact NH2-OD2 3.27Å |
| 6 | P | 86 | Confident | 80 | Confident | 53 Ų | 53 | 84.4 Ų | 84.4 | 34% | 0.344 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -58 | 158.2 | -179.5 | 23.9 | -34.9 | 0 | 0 | 0 | 111.8 | Y265 | P6-Y265 HydrophobicContact CG-CD1 3.95Å; P6-Y265 HydrophobicContact CG-CE1 3.86Å; P6-Y265 WeakPolarHBondContact O-CD1 3.47Å |
| 7 | L | 90.3 | Very high | 80.8 | Confident | 80 Ų | 80 | 79.5 Ų | 79.5 | 42% | 0.419 | 42% | 0.42 | S | S | . | . | trans | -114.1 | 156.4 | 175.7 | -63.4 | 173.6 | 0 | 0 | 0 | 109.8 | Y265 E267 | L7-Y265 WeakPolarHBondContact CA-O 3.36Å; L7-Y265 WeakPolarHBondContact CD2-O 3.38Å; L7-E267 HydrophobicContact CD1-CG 4.13Å; L7-E267 HydrophobicContact CD2-CG 4.45Å | ||
| 8 | W | 90.4 | Very high | 81.6 | Confident | 17 Ų | 17 | 75.2 Ų | 75.2 | 6% | 0.064 | 40% | 0.397 | C | S | . | . | trans | -61.5 | 143.8 | 162.5 | -65.5 | 105.6 | 0 | 0 | 0 | 109.9 | N10 Q13 F14 A17 T189 F262 Y265 | W8-N10 PolarHBondContact O-N 3Å; W8-Q13 HydrophobicContact CE3-CG 3.95Å; W8-Q13 HydrophobicContact CZ3-CG 4.35Å; W8-F14 HydrophobicContact CB-CB 4.45Å; W8-F14 AromaticContact CD1-CD2 3.98Å; W8-F14 HydrophobicContact CD2-CB 4.38Å; W8-F14 HydrophobicContact CG-CB 3.99Å; W8-F14 AromaticContact NE1-CD2 3.58Å; W8-A17 HydrophobicContact CH2-CB 3.96Å; W8-A17 HydrophobicContact CZ2-CB 4.33Å; W8-A17 HydrophobicContact CZ3-CB 4.45Å; W8-T189 HydrophobicContact CH2-CG2 4.04Å; W8-T189 HydrophobicContact CZ2-CG2 4.11Å; W8-T189 HydrophobicContact CZ3-CG2 4.26Å; W8-F262 HydrophobicContact CH2-CD1 4.43Å; W8-F262 HydrophobicContact CZ2-CB 4.38Å; W8-F262 AromaticContact CZ2-CD1 3.9Å; W8-F262 HydrophobicContact CZ2-CD1 3.9Å; W8-F262 HydrophobicContact CZ2-CE1 4.48Å; W8-F262 HydrophobicContact CZ2-CG 4.3Å; W8-F262 PolarHBondContact NE1-O 3.18Å; W8-Y265 PolarHBondContact N-O 3.25Å | ||
| 9 | A | 87.6 | Confident | 82.3 | Confident | 86 Ų | 86 | 71.9 Ų | 71.9 | 71% | 0.711 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -67 | -30.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q13 | A9-Q13 VanDerWaalsContact CB-OE1 3.28Š|
| 10 | N | 87.7 | Confident | 82.9 | Confident | 62 Ų | 62 | 68.5 Ų | 68.5 | 33% | 0.332 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -154.1 | 161.9 | 172.4 | 63.1 | 54.7 | 0 | 0 | 0 | 111.4 | W8 L12 Q13 Y197 | W8-N10 PolarHBondContact O-N 3Å; N10-L12 VanDerWaalsContact C-N 3.27Å; N10-L12 PolarHBondContact O-N 3Å; N10-L12 WeakPolarHBondContact OD1-CB 3.44Å; N10-L12 PolarHBondContact OD1-N 3.27Å; N10-Q13 WeakPolarHBondContact O-CB 3.09Å; N10-Q13 PolarHBondContact O-N 3.19Å; N10-Q13 WeakPolarHBondContact OD1-CB 3.44Å; N10-Q13 PolarHBondContact OD1-N 2.87Å; N10-Y197 PolarHBondContact ND2-OH 3.17Å; N10-Y197 PolarHBondContact OD1-OH 3.19Å |
| 11 | P | 88.1 | Confident | 83.5 | Confident | 61 Ų | 61 | 65.9 Ų | 65.9 | 40% | 0.396 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.8 | -29.1 | 179.7 | -25 | 35.1 | 0 | 0 | 0 | 114.5 | F14 V15 | P11-F14 PolarHBondContact O-N 3.01Å; P11-V15 WeakPolarHBondContact O-CG2 2.96Å; P11-V15 PolarHBondContact O-N 3.12Å |
| 12 | L | 89.4 | Confident | 86.3 | Confident | 113 Ų | 113 | 54.7 Ų | 54.7 | 59% | 0.592 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65.8 | -41.4 | 177.7 | -73.7 | 171.5 | 0 | 0 | 0 | 111.1 | N10 F14 V15 F16 | N10-L12 VanDerWaalsContact C-N 3.27Å; N10-L12 PolarHBondContact O-N 3Å; N10-L12 WeakPolarHBondContact OD1-CB 3.44Å; N10-L12 PolarHBondContact OD1-N 3.27Å; L12-F14 VanDerWaalsContact C-N 3.26Å; L12-F14 PolarHBondContact O-N 3.5Å; L12-V15 CarbonylContact O-C 3.59Å; L12-V15 PolarHBondContact O-N 3.05Å; L12-F16 WeakPolarHBondContact O-CD2 3.34Å; L12-F16 PolarHBondContact O-N 3.23Å |
| 13 | Q | 92.4 | Very high | 88.8 | Confident | 15 Ų | 15 | 46.4 Ų | 46.4 | 7% | 0.07 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.9 | -40.6 | 177.8 | -167.6 | 173.7 | 43.1 | 0 | 0 | 111.8 | W8 A9 N10 A17 G193 V196 Y197 | W8-Q13 HydrophobicContact CE3-CG 3.95Å; W8-Q13 HydrophobicContact CZ3-CG 4.35Å; A9-Q13 VanDerWaalsContact CB-OE1 3.28Å; N10-Q13 WeakPolarHBondContact O-CB 3.09Å; N10-Q13 PolarHBondContact O-N 3.19Å; N10-Q13 WeakPolarHBondContact OD1-CB 3.44Å; N10-Q13 PolarHBondContact OD1-N 2.87Å; Q13-A17 WeakPolarHBondContact O-CB 3.43Å; Q13-A17 PolarHBondContact O-N 3.25Å; Q13-G193 WeakPolarHBondContact CG-O 3.49Å; Q13-G193 PolarHBondContact NE2-O 3.38Å; Q13-V196 HydrophobicContact CG-CG2 4.48Å; Q13-Y197 HydrophobicContact CB-CE2 4.46Å; Q13-Y197 WeakPolarHBondContact CB-OH 3.14Å; Q13-Y197 HydrophobicContact CG-CE2 4.11Å |
| 14 | F | 93.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.9 | -45.8 | 173 | 166 | -101 | 0 | 0 | 0 | 112.1 | W8 P11 L12 A17 C18 L63 F262 A263 N266 H275 | W8-F14 HydrophobicContact CB-CB 4.45Å; W8-F14 AromaticContact CD1-CD2 3.98Å; W8-F14 HydrophobicContact CD2-CB 4.38Å; W8-F14 HydrophobicContact CG-CB 3.99Å; W8-F14 AromaticContact NE1-CD2 3.58Å; P11-F14 PolarHBondContact O-N 3.01Å; L12-F14 VanDerWaalsContact C-N 3.26Å; L12-F14 PolarHBondContact O-N 3.5Å; F14-A17 PolarHBondContact O-N 3.05Å; F14-C18 WeakPolarHBondContact CE2-SG 3.4Å; F14-C18 WeakPolarHBondContact CZ-SG 3.49Å; F14-C18 PolarHBondContact O-N 3.41Å; F14-C18 PolarHBondContact O-SG 3.35Å; F14-L63 HydrophobicContact CZ-CD2 3.92Å; F14-F262 HydrophobicContact CD2-CB 4.35Å; F14-F262 HydrophobicContact CE2-CB 3.93Å; F14-A263 HydrophobicContact CE2-CB 4.42Å; F14-N266 WeakPolarHBondContact CB-OD1 3.47Å; F14-N266 WeakPolarHBondContact CD1-ND2 3.4Å; F14-N266 WeakPolarHBondContact CD2-ND2 3.28Å; F14-N266 WeakPolarHBondContact CD2-OD1 3.43Å; F14-N266 VanDerWaalsContact CE1-ND2 3.33Å; F14-N266 WeakPolarHBondContact CE1-ND2 3.45Å; F14-N266 WeakPolarHBondContact CE2-ND2 3.33Å; F14-N266 WeakPolarHBondContact CG-ND2 3.3Å; F14-N266 VanDerWaalsContact CG-OD1 3.23Å; F14-N266 WeakPolarHBondContact CG-OD1 3.42Å; F14-N266 WeakPolarHBondContact CZ-ND2 3.44Å; F14-H275 AromaticContact CD1-CE1 3.93Å; F14-H275 AromaticContact CD1-ND1 3.49Å; F14-H275 WeakPolarHBondContact CD1-ND1 3.41Å; F14-H275 HydrophobicContact CE1-CB 3.93Å; F14-H275 AromaticContact CE1-CG 3.86Å; F14-H275 AromaticContact CE1-ND1 3.3Å; F14-H275 VanDerWaalsContact CE1-ND1 3.3Å; F14-H275 WeakPolarHBondContact CE1-ND1 3.47Å |
| 15 | V | 93.9 | Very high | 90.9 | Very high | 15 Ų | 15 | 30.7 Ų | 30.7 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 178 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | P11 L12 A17 C18 I19 I278 V279 | P11-V15 WeakPolarHBondContact O-CG2 2.96Å; P11-V15 PolarHBondContact O-N 3.12Å; L12-V15 CarbonylContact O-C 3.59Å; L12-V15 PolarHBondContact O-N 3.05Å; V15-A17 VanDerWaalsContact C-N 3.34Å; V15-A17 PolarHBondContact O-N 3.43Å; V15-C18 PolarHBondContact O-N 2.9Å; V15-I19 HydrophobicContact CG1-CD1 3.69Å; V15-I19 HydrophobicContact CG1-CG1 4.35Å; V15-I19 VanDerWaalsContact O-CG1 3.27Å; V15-I19 WeakPolarHBondContact O-CG1 3.41Å; V15-I19 PolarHBondContact O-N 3.48Å; V15-I278 HydrophobicContact CG1-CG2 4.2Å; V15-V279 HydrophobicContact CG1-CG2 4.49Å |
| 16 | F | 94.6 | Very high | 91.1 | Very high | 63 Ų | 63 | 29.8 Ų | 29.8 | 28% | 0.276 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.1 | -38.6 | 174.7 | -89.9 | -93.1 | 0 | 0 | 0 | 112.2 | L12 I19 S20 V196 Y197 A200 | L12-F16 WeakPolarHBondContact O-CD2 3.34Å; L12-F16 PolarHBondContact O-N 3.23Å; F16-I19 PolarHBondContact O-N 3.45Å; F16-S20 VanDerWaalsContact O-CB 3.23Å; F16-S20 WeakPolarHBondContact O-CB 3.42Å; F16-S20 PolarHBondContact O-N 2.99Å; F16-V196 HydrophobicContact CB-CG2 4.36Å; F16-Y197 HydrophobicContact CD1-CD1 4.06Å; F16-Y197 HydrophobicContact CD2-CD1 4.21Å; F16-Y197 AromaticContact CD2-CE1 3.94Å; F16-Y197 HydrophobicContact CD2-CE1 3.94Å; F16-Y197 HydrophobicContact CE1-CD1 4.33Å; F16-Y197 HydrophobicContact CE2-CD1 4.47Å; F16-Y197 HydrophobicContact CE2-CE1 4.29Å; F16-Y197 HydrophobicContact CG-CD1 4Å; F16-Y197 HydrophobicContact CG-CE1 4.1Å; F16-A200 HydrophobicContact CD1-CB 3.84Å; F16-A200 HydrophobicContact CE1-CB 4.49Å |
| 17 | A | 94.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64 | -42.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W8 Q13 F14 V15 S20 Y21 V196 F262 | W8-A17 HydrophobicContact CH2-CB 3.96Å; W8-A17 HydrophobicContact CZ2-CB 4.33Å; W8-A17 HydrophobicContact CZ3-CB 4.45Å; Q13-A17 WeakPolarHBondContact O-CB 3.43Å; Q13-A17 PolarHBondContact O-N 3.25Å; F14-A17 PolarHBondContact O-N 3.05Å; V15-A17 VanDerWaalsContact C-N 3.34Å; V15-A17 PolarHBondContact O-N 3.43Å; A17-S20 PolarHBondContact O-N 3.33Å; A17-Y21 WeakPolarHBondContact O-CB 3.15Å; A17-Y21 PolarHBondContact O-N 3.5Å; A17-V196 HydrophobicContact CB-CB 4.42Å; A17-V196 HydrophobicContact CB-CG1 4Å; A17-V196 HydrophobicContact CB-CG2 4.31Å; A17-F262 HydrophobicContact CB-CE2 4.41Å |
| 18 | C | 95 | Very high | 91.2 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.8 | -40.6 | 175.3 | -64.3 | 0 | 0 | 0 | 0 | 112 | F14 V15 Y21 A22 V279 | F14-C18 WeakPolarHBondContact CE2-SG 3.4Å; F14-C18 WeakPolarHBondContact CZ-SG 3.49Å; F14-C18 PolarHBondContact O-N 3.41Å; F14-C18 PolarHBondContact O-SG 3.35Å; V15-C18 PolarHBondContact O-N 2.9Å; C18-Y21 PolarHBondContact O-N 3.48Å; C18-A22 VanDerWaalsContact O-CB 3.27Å; C18-A22 WeakPolarHBondContact O-CB 3.46Å; C18-A22 PolarHBondContact O-N 3.25Å; C18-V279 HydrophobicContact CB-CG1 4.14Å; C18-V279 HydrophobicContact CB-CG2 3.67Å |
| 19 | I | 94.6 | Very high | 90.9 | Very high | 14 Ų | 14 | 23.9 Ų | 23.9 | 7% | 0.072 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.7 | -45.1 | 175.7 | -67.2 | 163.5 | 0 | 0 | 0 | 110.4 | V15 F16 Y21 A22 V23 Y204 V279 I282 | V15-I19 HydrophobicContact CG1-CD1 3.69Å; V15-I19 HydrophobicContact CG1-CG1 4.35Å; V15-I19 VanDerWaalsContact O-CG1 3.27Å; V15-I19 WeakPolarHBondContact O-CG1 3.41Å; V15-I19 PolarHBondContact O-N 3.48Å; F16-I19 PolarHBondContact O-N 3.45Å; I19-Y21 PolarHBondContact O-N 3.36Å; I19-A22 PolarHBondContact O-N 2.91Å; I19-V23 HydrophobicContact CG2-CB 4.47Å; I19-V23 HydrophobicContact CG2-CG2 3.96Å; I19-V23 WeakPolarHBondContact O-CA 3.27Å; I19-V23 WeakPolarHBondContact O-CB 3.39Å; I19-V23 WeakPolarHBondContact O-CG2 3.35Å; I19-V23 PolarHBondContact O-N 2.89Å; I19-Y204 HydrophobicContact CG2-CE2 4.44Å; I19-V279 HydrophobicContact CG1-CG2 4.49Å; I19-I282 HydrophobicContact CD1-CD1 3.57Å; I19-I282 HydrophobicContact CD1-CG2 4.21Å; I19-I282 HydrophobicContact CG1-CD1 4.33Å; I19-I282 HydrophobicContact CG1-CG2 4.15Å; I19-I282 HydrophobicContact CG2-CG2 4.02Å |
| 20 | S | 94.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.6 | -32.7 | 177.7 | -172.5 | 0 | 0 | 0 | 0 | 112.5 | F16 A17 T199 G405 S406 | F16-S20 VanDerWaalsContact O-CB 3.23Å; F16-S20 WeakPolarHBondContact O-CB 3.42Å; F16-S20 PolarHBondContact O-N 2.99Å; A17-S20 PolarHBondContact O-N 3.33Å; S20-T199 PolarHBondContact OG-OG1 3.22Å; S20-G405 CarbonylContact O-C 3.59Å; S20-G405 WeakPolarHBondContact O-CA 3.47Å; S20-G405 WeakPolarHBondContact OG-CA 3.35Å; S20-S406 PolarHBondContact O-N 3.23Å |
| 21 | Y | 94.5 | Very high | 91.2 | Very high | 13 Ų | 13 | 19 Ų | 19 | 5% | 0.051 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -79.3 | -48.8 | 176.2 | 171.8 | -119.5 | 0 | 0 | 0 | 113 | A17 C18 I19 F256 S258 L259 F262 N410 | A17-Y21 WeakPolarHBondContact O-CB 3.15Å; A17-Y21 PolarHBondContact O-N 3.5Å; C18-Y21 PolarHBondContact O-N 3.48Å; I19-Y21 PolarHBondContact O-N 3.36Å; Y21-F256 WeakPolarHBondContact OH-CB 3.37Å; Y21-F256 WeakPolarHBondContact OH-CD2 3.11Å; Y21-S258 WeakPolarHBondContact OH-CB 3.3Å; Y21-S258 PolarHBondContact OH-OG 2.91Å; Y21-L259 HydrophobicContact CD1-CD2 4.12Å; Y21-L259 HydrophobicContact CD1-CG 4.41Å; Y21-L259 HydrophobicContact CE1-CD2 4.31Å; Y21-L259 HydrophobicContact CE1-CG 4.1Å; Y21-F262 HydrophobicContact CG-CE2 4.31Å; Y21-N410 WeakPolarHBondContact CE2-OD1 3.35Å |
| 22 | A | 93 | Very high | 91.3 | Very high | 5 Ų | 5 | 16.2 Ų | 16.2 | 4% | 0.041 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -71.2 | -39.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C18 I19 G24 N27 S251 V279 N283 | C18-A22 VanDerWaalsContact O-CB 3.27Å; C18-A22 WeakPolarHBondContact O-CB 3.46Å; C18-A22 PolarHBondContact O-N 3.25Å; I19-A22 PolarHBondContact O-N 2.91Å; A22-G24 PolarHBondContact O-N 3.22Å; A22-N27 PolarHBondContact O-OD1 3.45Å; A22-S251 CarbonylContact C-O 3.59Å; A22-S251 VanDerWaalsContact C-O 3.32Å; A22-S251 WeakPolarHBondContact CA-O 3.42Å; A22-S251 WeakPolarHBondContact CB-O 3.38Å; A22-V279 HydrophobicContact CB-CG1 4.24Å; A22-N283 HydrophobicContact CB-CB 4.38Å; A22-N283 PolarHBondContact O-OD1 3.37Å |
| 23 | V | 92.5 | Very high | 91.3 | Very high | 6 Ų | 6 | 11.9 Ų | 11.9 | 4% | 0.036 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -85.2 | 101.1 | 175.9 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | I19 N27 N283 T286 L402 | I19-V23 HydrophobicContact CG2-CB 4.47Å; I19-V23 HydrophobicContact CG2-CG2 3.96Å; I19-V23 WeakPolarHBondContact O-CA 3.27Å; I19-V23 WeakPolarHBondContact O-CB 3.39Å; I19-V23 WeakPolarHBondContact O-CG2 3.35Å; I19-V23 PolarHBondContact O-N 2.89Å; V23-N27 WeakPolarHBondContact CA-OD1 3.32Å; V23-N283 HydrophobicContact CG2-CB 4.48Å; V23-T286 HydrophobicContact CG1-CG2 3.57Å; V23-T286 HydrophobicContact CG2-CG2 4.42Å; V23-L402 HydrophobicContact CG1-CD2 3.92Å |
| 24 | G | 88.4 | Confident | 91.3 | Very high | 3 Ų | 3 | 11.5 Ų | 11.5 | 3% | 0.031 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -133.1 | -164.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | A22 G26 N27 S406 | A22-G24 PolarHBondContact O-N 3.22Å; G24-G26 PolarHBondContact O-N 3.14Å; G24-N27 PolarHBondContact N-OD1 2.89Å; G24-N27 PolarHBondContact O-N 3.35Å; G24-N27 PolarHBondContact O-OD1 3.46Å; G24-S406 WeakPolarHBondContact CA-OG 3.44Å |
| 25 | L | 85.6 | Confident | 91.2 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -57.7 | -31.8 | 179.5 | -59.8 | 164.6 | 0 | 0 | 0 | 112.4 | N27 V28 W29 I105 L399 L402 | L25-N27 VanDerWaalsContact C-N 3.27Å; L25-N27 PolarHBondContact O-N 3.14Å; L25-V28 PolarHBondContact O-N 3.32Å; L25-V28 VanDerWaalsContact O-N 3.16Å; L25-W29 HydrophobicContact CB-CD2 4.18Å; L25-W29 HydrophobicContact CB-CE3 4.2Å; L25-W29 HydrophobicContact CB-CH2 3.49Å; L25-W29 VanDerWaalsContact CB-CH2 3.49Å; L25-W29 HydrophobicContact CB-CZ2 3.41Å; L25-W29 VanDerWaalsContact CB-CZ2 3.41Å; L25-W29 HydrophobicContact CB-CZ3 3.92Å; L25-W29 HydrophobicContact CD1-CH2 3.65Å; L25-W29 HydrophobicContact CD1-CZ2 4.1Å; L25-W29 HydrophobicContact CD1-CZ3 4.4Å; L25-W29 HydrophobicContact CD2-CE3 4.39Å; L25-W29 HydrophobicContact CD2-CH2 3.84Å; L25-W29 HydrophobicContact CD2-CZ3 3.73Å; L25-W29 HydrophobicContact CG-CH2 3.84Å; L25-W29 HydrophobicContact CG-CZ2 4.22Å; L25-W29 HydrophobicContact CG-CZ3 4.21Å; L25-W29 PolarHBondContact O-N 3.36Å; L25-W29 VanDerWaalsContact O-N 3.08Å; L25-I105 HydrophobicContact CD1-CB 4.2Å; L25-I105 HydrophobicContact CD1-CD1 4.04Å; L25-I105 HydrophobicContact CD1-CG2 4.2Å; L25-L399 HydrophobicContact CD2-CD1 3.89Å; L25-L399 HydrophobicContact CD2-CG 3.67Å; L25-L399 WeakPolarHBondContact CD2-O 3.36Å; L25-L402 HydrophobicContact CD2-CB 4.29Å |
| 26 | G | 86.4 | Confident | 90.9 | Very high | 13 Ų | 13 | 11.1 Ų | 11.1 | 13% | 0.134 | 5% | 0.054 | C | C | . | . | I | π-helix | trans | -61.8 | -28.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | G24 R30 F31 Q247 | G24-G26 PolarHBondContact O-N 3.14Å; G26-R30 WeakPolarHBondContact O-CB 3.47Å; G26-R30 PolarHBondContact O-N 3.36Å; G26-F31 PolarHBondContact O-N 2.89Å; G26-Q247 PolarHBondContact O-NE2 2.96Å |
| 27 | N | 91.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.011 | 6% | 0.063 | C | C | . | . | I | π-helix | trans | -74.7 | -31.5 | 176.8 | -56.2 | 80.1 | 0 | 0 | 0 | 111.9 | A22 V23 G24 L25 S251 N283 S287 | A22-N27 PolarHBondContact O-OD1 3.45Å; V23-N27 WeakPolarHBondContact CA-OD1 3.32Å; G24-N27 PolarHBondContact N-OD1 2.89Å; G24-N27 PolarHBondContact O-N 3.35Å; G24-N27 PolarHBondContact O-OD1 3.46Å; L25-N27 VanDerWaalsContact C-N 3.27Å; L25-N27 PolarHBondContact O-N 3.14Å; N27-S251 PolarHBondContact ND2-OG 3.43Å; N27-N283 PolarHBondContact ND2-O 3.48Å; N27-N283 PolarHBondContact ND2-OD1 3.08Å; N27-S287 PolarHBondContact ND2-OG 3.32Å |
| 28 | V | 86.3 | Confident | 90.4 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.012 | 7% | 0.065 | C | C | . | . | I | π-helix | trans | -89.4 | -33.8 | -173.6 | 178.5 | 0 | 0 | 0 | 0 | 112.8 | L25 P32 A290 M398 L402 | L25-V28 PolarHBondContact O-N 3.32Å; L25-V28 VanDerWaalsContact O-N 3.16Å; V28-P32 WeakPolarHBondContact O-CG 3.47Å; V28-A290 HydrophobicContact CG2-CB 4.28Å; V28-M398 HydrophobicContact CG1-CE 4.29Å; V28-L402 HydrophobicContact CB-CD1 4.48Å; V28-L402 HydrophobicContact CG2-CD1 3.47Å; V28-L402 VanDerWaalsContact CG2-CD1 3.47Å |
| 29 | W | 84.3 | Confident | 90 | Very high | 21 Ų | 21 | 13.4 Ų | 13.4 | 8% | 0.08 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -117.3 | -38.5 | 178.9 | 65.2 | 60.8 | 0 | 0 | 0 | 114.5 | L25 Y33 I105 L373 A374 L399 | L25-W29 HydrophobicContact CB-CD2 4.18Å; L25-W29 HydrophobicContact CB-CE3 4.2Å; L25-W29 HydrophobicContact CB-CH2 3.49Å; L25-W29 VanDerWaalsContact CB-CH2 3.49Å; L25-W29 HydrophobicContact CB-CZ2 3.41Å; L25-W29 VanDerWaalsContact CB-CZ2 3.41Å; L25-W29 HydrophobicContact CB-CZ3 3.92Å; L25-W29 HydrophobicContact CD1-CH2 3.65Å; L25-W29 HydrophobicContact CD1-CZ2 4.1Å; L25-W29 HydrophobicContact CD1-CZ3 4.4Å; L25-W29 HydrophobicContact CD2-CE3 4.39Å; L25-W29 HydrophobicContact CD2-CH2 3.84Å; L25-W29 HydrophobicContact CD2-CZ3 3.73Å; L25-W29 HydrophobicContact CG-CH2 3.84Å; L25-W29 HydrophobicContact CG-CZ2 4.22Å; L25-W29 HydrophobicContact CG-CZ3 4.21Å; L25-W29 PolarHBondContact O-N 3.36Å; L25-W29 VanDerWaalsContact O-N 3.08Å; W29-Y33 VanDerWaalsContact O-CB 3.29Å; W29-Y33 WeakPolarHBondContact O-CB 3.45Å; W29-Y33 PolarHBondContact O-N 3.16Å; W29-I105 HydrophobicContact CH2-CB 4.27Å; W29-I105 HydrophobicContact CH2-CD1 3.54Å; W29-I105 HydrophobicContact CH2-CG1 4.36Å; W29-I105 HydrophobicContact CH2-CG2 3.34Å; W29-I105 HydrophobicContact CZ2-CD1 3.59Å; W29-I105 HydrophobicContact CZ2-CG2 4.43Å; W29-I105 HydrophobicContact CZ3-CG2 3.87Å; W29-L373 HydrophobicContact CB-CB 4.3Å; W29-L373 HydrophobicContact CB-CD2 3.88Å; W29-L373 HydrophobicContact CB-CG 4.34Å; W29-L373 WeakPolarHBondContact O-CD2 3.49Å; W29-A374 HydrophobicContact CD2-CB 4.24Å; W29-A374 HydrophobicContact CE3-CB 3.32Å; W29-A374 HydrophobicContact CZ3-CB 3.69Å; W29-L399 HydrophobicContact CE3-CD1 4.02Å; W29-L399 HydrophobicContact CZ3-CD1 3.88Å; W29-L399 HydrophobicContact CZ3-CD2 4.38Å; W29-L399 HydrophobicContact CZ3-CG 4.41Å |
| 30 | R | 88.7 | Confident | 89.7 | Confident | 46 Ų | 46 | 12.8 Ų | 12.8 | 17% | 0.174 | 6% | 0.064 | C | C | . | . | I | π-helix | trans | -78 | -44.2 | -169.2 | -174.5 | 177.7 | 176.7 | 173.7 | 0.1 | 109.7 | G26 Y33 L34 Q247 | G26-R30 WeakPolarHBondContact O-CB 3.47Å; G26-R30 PolarHBondContact O-N 3.36Å; R30-Y33 PolarHBondContact O-N 3.29Å; R30-L34 HydrophobicContact CG-CD1 4.14Å; R30-L34 HydrophobicContact CG-CG 4.42Å; R30-L34 VanDerWaalsContact O-CG 3.3Å; R30-L34 WeakPolarHBondContact O-CG 3.47Å; R30-L34 PolarHBondContact O-N 3.28Å; R30-Q247 VanDerWaalsContact CD-OE1 3.23Å |
| 31 | F | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.5 | -48.1 | 179.2 | -176.3 | -80.5 | 0 | 0 | 0 | 112.8 | G26 Y33 L34 C35 F43 L44 Y47 Q247 S287 I288 S291 | G26-F31 PolarHBondContact O-N 2.89Å; F31-Y33 VanDerWaalsContact C-N 3.31Å; F31-Y33 PolarHBondContact O-N 3.3Å; F31-L34 PolarHBondContact O-N 3.2Å; F31-C35 WeakPolarHBondContact O-CB 3.37Å; F31-C35 PolarHBondContact O-N 3Å; F31-F43 HydrophobicContact CD2-CE1 4.3Å; F31-F43 HydrophobicContact CE2-CE1 4.03Å; F31-L44 HydrophobicContact CE1-CD2 4.16Å; F31-L44 HydrophobicContact CZ-CD2 3.78Å; F31-Y47 HydrophobicContact CD2-CD2 4.23Å; F31-Y47 HydrophobicContact CD2-CE1 4.46Å; F31-Y47 AromaticContact CD2-CE2 3.84Å; F31-Y47 HydrophobicContact CD2-CE2 3.84Å; F31-Y47 AromaticContact CD2-CZ 3.98Å; F31-Y47 AromaticContact CE2-CD1 3.63Å; F31-Y47 HydrophobicContact CE2-CD1 3.63Å; F31-Y47 AromaticContact CE2-CD2 3.59Å; F31-Y47 HydrophobicContact CE2-CD2 3.59Å; F31-Y47 AromaticContact CE2-CE1 3.54Å; F31-Y47 HydrophobicContact CE2-CE1 3.54Å; F31-Y47 AromaticContact CE2-CE2 3.49Å; F31-Y47 HydrophobicContact CE2-CE2 3.49Å; F31-Y47 VanDerWaalsContact CE2-CE2 3.49Å; F31-Y47 AromaticContact CE2-CG 3.64Å; F31-Y47 HydrophobicContact CE2-CG 3.64Å; F31-Y47 AromaticContact CE2-CZ 3.47Å; F31-Y47 VanDerWaalsContact CE2-CZ 3.47Å; F31-Y47 HydrophobicContact CZ-CD1 4.02Å; F31-Y47 HydrophobicContact CZ-CE1 4.05Å; F31-Y47 HydrophobicContact CZ-CG 4.31Å; F31-Q247 HydrophobicContact CD2-CG 3.98Å; F31-S287 WeakPolarHBondContact CD1-O 3.33Å; F31-I288 HydrophobicContact CZ-CG1 4.34Å; F31-S291 WeakPolarHBondContact CD1-OG 3.35Å; F31-S291 VanDerWaalsContact CE1-OG 3.28Å; F31-S291 WeakPolarHBondContact CE1-OG 3.2Å |
| 32 | P | 91.8 | Very high | 89.3 | Confident | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.013 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.8 | -38.7 | 175.5 | -24.6 | 34.7 | 0 | 0 | 0 | 113 | V28 C35 Q36 T294 F295 | V28-P32 WeakPolarHBondContact O-CG 3.47Å; P32-C35 WeakPolarHBondContact O-CB 3.32Å; P32-C35 PolarHBondContact O-N 3.21Å; P32-Q36 WeakPolarHBondContact O-CB 3.33Å; P32-Q36 PolarHBondContact O-N 2.93Å; P32-T294 HydrophobicContact CB-CG2 3.86Å; P32-T294 HydrophobicContact CG-CG2 4.25Å; P32-F295 HydrophobicContact CB-CE2 4.16Å |
| 33 | Y | 89.4 | Confident | 89.4 | Confident | 22 Ų | 22 | 12.5 Ų | 12.5 | 9% | 0.086 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.4 | -48.9 | 174 | 166.3 | -99.8 | 0 | 0 | 0 | 112.3 | W29 R30 F31 C35 Q36 M37 A367 V368 Q369 | W29-Y33 VanDerWaalsContact O-CB 3.29Å; W29-Y33 WeakPolarHBondContact O-CB 3.45Å; W29-Y33 PolarHBondContact O-N 3.16Å; R30-Y33 PolarHBondContact O-N 3.29Å; F31-Y33 VanDerWaalsContact C-N 3.31Å; F31-Y33 PolarHBondContact O-N 3.3Å; Y33-C35 VanDerWaalsContact C-N 3.3Å; Y33-C35 PolarHBondContact O-N 2.81Å; Y33-Q36 WeakPolarHBondContact O-CB 3.28Å; Y33-Q36 PolarHBondContact O-N 3.44Å; Y33-Q36 VanDerWaalsContact O-N 3.17Å; Y33-M37 HydrophobicContact CE1-SD 4.19Å; Y33-M37 WeakPolarHBondContact O-CB 3.29Å; Y33-M37 PolarHBondContact O-N 2.9Å; Y33-A367 HydrophobicContact CD2-CB 4.15Å; Y33-A367 HydrophobicContact CE2-CB 3.93Å; Y33-V368 VanDerWaalsContact CD2-O 3.28Å; Y33-V368 WeakPolarHBondContact CD2-O 3.48Å; Y33-Q369 HydrophobicContact CD1-CG 4.16Å; Y33-Q369 HydrophobicContact CD2-CB 4.16Å; Y33-Q369 HydrophobicContact CE1-CB 4.08Å; Y33-Q369 HydrophobicContact CE1-CG 3.63Å; Y33-Q369 HydrophobicContact CE2-CB 3.6Å; Y33-Q369 HydrophobicContact CE2-CG 4.13Å; Y33-Q369 PolarHBondContact OH-OE1 2.88Å; Y33-Q369 VanDerWaalsContact OH-OE1 3.14Å |
| 34 | L | 90.8 | Very high | 89.5 | Confident | 7 Ų | 7 | 13.3 Ų | 13.3 | 4% | 0.037 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63.2 | -38.7 | 177.5 | -69.3 | 175.5 | 0 | 0 | 0 | 111.6 | R30 F31 M37 Y38 F43 N243 Q247 | R30-L34 HydrophobicContact CG-CD1 4.14Å; R30-L34 HydrophobicContact CG-CG 4.42Å; R30-L34 VanDerWaalsContact O-CG 3.3Å; R30-L34 WeakPolarHBondContact O-CG 3.47Å; R30-L34 PolarHBondContact O-N 3.28Å; F31-L34 PolarHBondContact O-N 3.2Å; L34-M37 PolarHBondContact O-N 2.91Å; L34-Y38 HydrophobicContact CD2-CD2 4.32Å; L34-Y38 HydrophobicContact CD2-CE2 3.92Å; L34-Y38 WeakPolarHBondContact O-CD2 3.37Å; L34-Y38 PolarHBondContact O-N 3.03Å; L34-F43 HydrophobicContact CB-CD1 4.4Å; L34-F43 HydrophobicContact CB-CE1 3.79Å; L34-F43 HydrophobicContact CB-CE2 4.19Å; L34-F43 HydrophobicContact CB-CZ 3.67Å; L34-F43 HydrophobicContact CD1-CZ 4.05Å; L34-F43 HydrophobicContact CG-CZ 4.46Å; L34-N243 HydrophobicContact CD2-CB 4.14Å; L34-Q247 HydrophobicContact CD1-CB 3.92Å; L34-Q247 HydrophobicContact CD1-CG 4.09Å |
| 35 | C | 91.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.2 | -48.3 | 172.9 | -168.9 | 0 | 0 | 0 | 0 | 110.5 | F31 P32 Y33 G40 F43 F295 | F31-C35 WeakPolarHBondContact O-CB 3.37Å; F31-C35 PolarHBondContact O-N 3Å; P32-C35 WeakPolarHBondContact O-CB 3.32Å; P32-C35 PolarHBondContact O-N 3.21Å; Y33-C35 VanDerWaalsContact C-N 3.3Å; Y33-C35 PolarHBondContact O-N 2.81Å; C35-G40 WeakPolarHBondContact O-CA 3.13Å; C35-G40 PolarHBondContact O-N 3.46Å; C35-G40 PolarHBondContact SG-O 2.87Å; C35-G40 VanDerWaalsContact SG-O 3.36Å; C35-F43 HydrophobicContact CB-CD1 4.29Å; C35-F295 HydrophobicContact CB-CE2 4.19Å; C35-F295 HydrophobicContact CB-CZ 4.39Å |
| 36 | Q | 88.4 | Confident | 90.2 | Very high | 9 Ų | 9 | 16.4 Ų | 16.4 | 4% | 0.042 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.4 | -46.9 | 178 | -170.5 | -180 | 8.1 | 0 | 0 | 112.4 | P32 Y33 Y226 F295 Y298 L364 A367 | P32-Q36 WeakPolarHBondContact O-CB 3.33Å; P32-Q36 PolarHBondContact O-N 2.93Å; Y33-Q36 WeakPolarHBondContact O-CB 3.28Å; Y33-Q36 PolarHBondContact O-N 3.44Å; Y33-Q36 VanDerWaalsContact O-N 3.17Å; Q36-Y226 HydrophobicContact CG-CE1 3.88Å; Q36-F295 HydrophobicContact CB-CE1 4.26Å; Q36-F295 HydrophobicContact CB-CZ 3.87Å; Q36-F295 HydrophobicContact CG-CE1 4.43Å; Q36-Y298 PolarHBondContact NE2-OH 3.31Å; Q36-L364 PolarHBondContact NE2-O 3.35Å; Q36-A367 HydrophobicContact CG-CB 4.18Å |
| 37 | M | 88.1 | Confident | 90.6 | Very high | 92 Ų | 92 | 15.8 Ų | 15.8 | 45% | 0.453 | 8% | 0.081 | S | C | . | . | H | α-helix | trans | -66.3 | -38.8 | -175.7 | -169.3 | -170.9 | -162.8 | 0 | 0 | 112.7 | Y33 L34 | Y33-M37 HydrophobicContact CE1-SD 4.19Å; Y33-M37 WeakPolarHBondContact O-CB 3.29Å; Y33-M37 PolarHBondContact O-N 2.9Å; L34-M37 PolarHBondContact O-N 2.91Å |
| 38 | Y | 90.9 | Very high | 90.8 | Very high | 17 Ų | 17 | 19.3 Ų | 19.3 | 7% | 0.067 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 36.7 | -174.5 | -65.7 | -68.8 | 0 | 0 | 0 | 113.3 | L34 F43 Q234 K239 A240 N243 | L34-Y38 HydrophobicContact CD2-CD2 4.32Å; L34-Y38 HydrophobicContact CD2-CE2 3.92Å; L34-Y38 WeakPolarHBondContact O-CD2 3.37Å; L34-Y38 PolarHBondContact O-N 3.03Å; Y38-F43 HydrophobicContact CD2-CD2 4.02Å; Y38-F43 HydrophobicContact CD2-CE2 4.13Å; Y38-F43 HydrophobicContact CG-CD2 4.18Å; Y38-Q234 WeakPolarHBondContact O-CB 3.39Å; Y38-K239 HydrophobicContact CE1-CB 4.06Å; Y38-A240 HydrophobicContact CD1-CB 3.64Å; Y38-A240 HydrophobicContact CE1-CB 4.27Å; Y38-A240 HydrophobicContact CG-CB 3.94Å; Y38-N243 HydrophobicContact CE2-CB 3.83Å; Y38-N243 PolarHBondContact OH-ND2 3.38Å |
| 39 | G | 85.5 | Confident | 91.2 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 3% | 0.031 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 30.9 | 167 | 0 | 0 | 0 | 0 | 0 | 115.4 | G41 S42 K231 | G39-G41 PolarHBondContact O-N 2.74Å; G39-G41 VanDerWaalsContact O-N 3.15Å; G39-S42 WeakPolarHBondContact O-CB 3.46Å; G39-S42 PolarHBondContact O-N 2.77Å; G39-K231 PolarHBondContact O-N 3.27Å |
| 40 | G | 87.9 | Confident | 91.7 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -113.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | C35 S42 F43 M227 | C35-G40 WeakPolarHBondContact O-CA 3.13Å; C35-G40 PolarHBondContact O-N 3.46Å; C35-G40 PolarHBondContact SG-O 2.87Å; C35-G40 VanDerWaalsContact SG-O 3.36Å; G40-S42 PolarHBondContact O-N 2.89Å; G40-F43 WeakPolarHBondContact O-CB 3.46Å; G40-F43 PolarHBondContact O-N 3.17Å; G40-M227 CarbonylContact C-O 3.34Å; G40-M227 VanDerWaalsContact C-O 3.28Å; G40-M227 WeakPolarHBondContact CA-O 3.34Å |
| 41 | G | 88.6 | Confident | 92.1 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 12% | 0.124 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.5 | -25.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G39 F43 L44 M227 | G39-G41 PolarHBondContact O-N 2.74Å; G39-G41 VanDerWaalsContact O-N 3.15Å; G41-F43 VanDerWaalsContact C-N 3.3Å; G41-F43 PolarHBondContact O-N 2.98Å; G41-L44 WeakPolarHBondContact O-CB 3.47Å; G41-L44 PolarHBondContact O-N 3.37Å; G41-M227 WeakPolarHBondContact CA-O 3.23Å; G41-M227 PolarHBondContact N-O 3.2Å |
| 42 | S | 93.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.014 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.2 | -37.7 | 173.9 | -67.9 | 0 | 0 | 0 | 0 | 112.6 | G39 G40 L44 V45 P46 K231 L235 | G39-S42 WeakPolarHBondContact O-CB 3.46Å; G39-S42 PolarHBondContact O-N 2.77Å; G40-S42 PolarHBondContact O-N 2.89Å; S42-L44 VanDerWaalsContact C-N 3.29Å; S42-L44 PolarHBondContact O-N 3.49Å; S42-V45 PolarHBondContact O-N 2.93Å; S42-P46 WeakPolarHBondContact O-CD 3.26Å; S42-K231 PolarHBondContact OG-N 3.21Å; S42-K231 PolarHBondContact OG-O 3.23Å; S42-L235 WeakPolarHBondContact O-CD2 3.16Å |
| 43 | F | 94.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.6 | -23.9 | -179.5 | -176.4 | -105.2 | 0 | 0 | 0 | 113.2 | F31 L34 C35 Y38 G40 G41 V45 P46 Y47 N243 A244 | F31-F43 HydrophobicContact CD2-CE1 4.3Å; F31-F43 HydrophobicContact CE2-CE1 4.03Å; L34-F43 HydrophobicContact CB-CD1 4.4Å; L34-F43 HydrophobicContact CB-CE1 3.79Å; L34-F43 HydrophobicContact CB-CE2 4.19Å; L34-F43 HydrophobicContact CB-CZ 3.67Å; L34-F43 HydrophobicContact CD1-CZ 4.05Å; L34-F43 HydrophobicContact CG-CZ 4.46Å; C35-F43 HydrophobicContact CB-CD1 4.29Å; Y38-F43 HydrophobicContact CD2-CD2 4.02Å; Y38-F43 HydrophobicContact CD2-CE2 4.13Å; Y38-F43 HydrophobicContact CG-CD2 4.18Å; G40-F43 WeakPolarHBondContact O-CB 3.46Å; G40-F43 PolarHBondContact O-N 3.17Å; G41-F43 VanDerWaalsContact C-N 3.3Å; G41-F43 PolarHBondContact O-N 2.98Å; F43-V45 VanDerWaalsContact C-N 3.27Å; F43-V45 PolarHBondContact O-N 3.05Å; F43-P46 VanDerWaalsContact O-CD 3.25Å; F43-P46 WeakPolarHBondContact O-CD 3.33Å; F43-P46 VanDerWaalsContact O-CG 3.3Å; F43-P46 WeakPolarHBondContact O-CG 3.38Å; F43-Y47 WeakPolarHBondContact O-CB 3.04Å; F43-Y47 PolarHBondContact O-N 3.16Å; F43-N243 HydrophobicContact CE2-CB 4.48Å; F43-A244 HydrophobicContact CE2-CB 3.8Å; F43-A244 HydrophobicContact CZ-CB 4.04Å |
| 44 | L | 93.7 | Very high | 92.6 | Very high | 23 Ų | 23 | 24.5 Ų | 24.5 | 12% | 0.12 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66 | -31.5 | 178.9 | -59.7 | -179.6 | 0 | 0 | 0 | 112.2 | F31 G41 S42 I48 F228 I288 | F31-L44 HydrophobicContact CE1-CD2 4.16Å; F31-L44 HydrophobicContact CZ-CD2 3.78Å; G41-L44 WeakPolarHBondContact O-CB 3.47Å; G41-L44 PolarHBondContact O-N 3.37Å; S42-L44 VanDerWaalsContact C-N 3.29Å; S42-L44 PolarHBondContact O-N 3.49Å; L44-I48 VanDerWaalsContact O-CG1 3.28Å; L44-I48 WeakPolarHBondContact O-CG1 3.42Å; L44-I48 PolarHBondContact O-N 2.99Å; L44-F228 HydrophobicContact CD1-CE1 4.44Å; L44-I288 HydrophobicContact CD2-CG1 4.4Å |
| 45 | V | 93.9 | Very high | 92.8 | Very high | 69 Ų | 69 | 24.1 Ų | 24.1 | 42% | 0.418 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -63.6 | -59.7 | 179.1 | 179.3 | 0 | 0 | 0 | 0 | 112.1 | S42 F43 Y47 I48 I49 L235 | S42-V45 PolarHBondContact O-N 2.93Å; F43-V45 VanDerWaalsContact C-N 3.27Å; F43-V45 PolarHBondContact O-N 3.05Å; V45-Y47 PolarHBondContact O-N 3.45Å; V45-I48 PolarHBondContact O-N 3.46Å; V45-I49 HydrophobicContact CG1-CD1 3.91Å; V45-I49 WeakPolarHBondContact O-CG1 3.1Å; V45-I49 PolarHBondContact O-N 2.94Å; V45-I49 VanDerWaalsContact O-N 3.13Å; V45-L235 HydrophobicContact CB-CD2 4.18Å |
| 46 | P | 94.8 | Very high | 93 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.7 | -34.6 | 177.6 | 25.9 | -34.2 | 0 | 0 | 0 | 111.5 | S42 F43 I49 M50 W241 A244 | S42-P46 WeakPolarHBondContact O-CD 3.26Å; F43-P46 VanDerWaalsContact O-CD 3.25Å; F43-P46 WeakPolarHBondContact O-CD 3.33Å; F43-P46 VanDerWaalsContact O-CG 3.3Å; F43-P46 WeakPolarHBondContact O-CG 3.38Å; P46-I49 PolarHBondContact O-N 3.3Å; P46-M50 WeakPolarHBondContact O-CB 3.44Å; P46-M50 WeakPolarHBondContact O-CG 3.19Å; P46-M50 PolarHBondContact O-N 3.14Å; P46-W241 HydrophobicContact CB-CD2 3.6Å; P46-W241 HydrophobicContact CB-CE3 3.44Å; P46-W241 VanDerWaalsContact CB-CE3 3.44Å; P46-W241 HydrophobicContact CB-CG 4.2Å; P46-W241 HydrophobicContact CB-CH2 4.14Å; P46-W241 HydrophobicContact CB-CZ2 4.25Å; P46-W241 HydrophobicContact CB-CZ3 3.74Å; P46-A244 HydrophobicContact CB-CB 3.92Å; P46-A244 HydrophobicContact CG-CB 4.21Å |
| 47 | Y | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.3 | -48.7 | 177.1 | 179.6 | -104.1 | 0 | 0 | 0 | 113.3 | F31 F43 V45 I49 M50 L51 Q247 I248 S287 | F31-Y47 HydrophobicContact CD2-CD2 4.23Å; F31-Y47 HydrophobicContact CD2-CE1 4.46Å; F31-Y47 AromaticContact CD2-CE2 3.84Å; F31-Y47 HydrophobicContact CD2-CE2 3.84Å; F31-Y47 AromaticContact CD2-CZ 3.98Å; F31-Y47 AromaticContact CE2-CD1 3.63Å; F31-Y47 HydrophobicContact CE2-CD1 3.63Å; F31-Y47 AromaticContact CE2-CD2 3.59Å; F31-Y47 HydrophobicContact CE2-CD2 3.59Å; F31-Y47 AromaticContact CE2-CE1 3.54Å; F31-Y47 HydrophobicContact CE2-CE1 3.54Å; F31-Y47 AromaticContact CE2-CE2 3.49Å; F31-Y47 HydrophobicContact CE2-CE2 3.49Å; F31-Y47 VanDerWaalsContact CE2-CE2 3.49Å; F31-Y47 AromaticContact CE2-CG 3.64Å; F31-Y47 HydrophobicContact CE2-CG 3.64Å; F31-Y47 AromaticContact CE2-CZ 3.47Å; F31-Y47 VanDerWaalsContact CE2-CZ 3.47Å; F31-Y47 HydrophobicContact CZ-CD1 4.02Å; F31-Y47 HydrophobicContact CZ-CE1 4.05Å; F31-Y47 HydrophobicContact CZ-CG 4.31Å; F43-Y47 WeakPolarHBondContact O-CB 3.04Å; F43-Y47 PolarHBondContact O-N 3.16Å; V45-Y47 PolarHBondContact O-N 3.45Å; Y47-I49 VanDerWaalsContact C-N 3.34Å; Y47-I49 PolarHBondContact O-N 3.32Å; Y47-M50 PolarHBondContact O-N 2.97Å; Y47-L51 WeakPolarHBondContact O-CB 3.45Å; Y47-L51 PolarHBondContact O-N 2.77Å; Y47-Q247 HydrophobicContact CE2-CG 4.1Å; Y47-I248 HydrophobicContact CD2-CD1 3.68Å; Y47-I248 HydrophobicContact CD2-CG1 3.88Å; Y47-I248 HydrophobicContact CE1-CD1 4.31Å; Y47-I248 HydrophobicContact CE2-CD1 3.18Å; Y47-I248 HydrophobicContact CE2-CG1 3.74Å; Y47-I248 HydrophobicContact CG-CD1 4.44Å; Y47-S287 PolarHBondContact OH-OG 3.02Å |
| 48 | I | 95.6 | Very high | 93.8 | Very high | 76 Ų | 76 | 20.5 Ų | 20.5 | 39% | 0.39 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -66.5 | -38 | 179.4 | -68.7 | 167.9 | 0 | 0 | 0 | 111 | L44 V45 L51 I52 | L44-I48 VanDerWaalsContact O-CG1 3.28Å; L44-I48 WeakPolarHBondContact O-CG1 3.42Å; L44-I48 PolarHBondContact O-N 2.99Å; V45-I48 PolarHBondContact O-N 3.46Å; I48-L51 WeakPolarHBondContact O-CB 3.2Å; I48-L51 PolarHBondContact O-N 2.97Å; I48-I52 HydrophobicContact CG2-CD1 4.14Å; I48-I52 WeakPolarHBondContact O-CG1 3.37Å; I48-I52 PolarHBondContact O-N 3.49Å |
| 49 | I | 95.4 | Very high | 94.1 | Very high | 72 Ų | 72 | 19.7 Ų | 19.7 | 37% | 0.369 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -63.6 | -49.4 | 176.4 | -67.8 | 168.9 | 0 | 0 | 0 | 110.1 | V45 P46 Y47 L51 I52 V53 W241 | V45-I49 HydrophobicContact CG1-CD1 3.91Å; V45-I49 WeakPolarHBondContact O-CG1 3.1Å; V45-I49 PolarHBondContact O-N 2.94Å; V45-I49 VanDerWaalsContact O-N 3.13Å; P46-I49 PolarHBondContact O-N 3.3Å; Y47-I49 VanDerWaalsContact C-N 3.34Å; Y47-I49 PolarHBondContact O-N 3.32Å; I49-L51 VanDerWaalsContact C-N 3.3Å; I49-L51 PolarHBondContact O-N 3.34Å; I49-I52 PolarHBondContact O-N 3.02Å; I49-V53 HydrophobicContact CG2-CG2 4.23Å; I49-V53 WeakPolarHBondContact O-CB 3.3Å; I49-V53 WeakPolarHBondContact O-CG2 3.42Å; I49-V53 PolarHBondContact O-N 3.33Å; I49-W241 HydrophobicContact CB-CZ3 4.35Å; I49-W241 HydrophobicContact CD1-CH2 3.82Å; I49-W241 HydrophobicContact CD1-CZ3 4.13Å; I49-W241 HydrophobicContact CG2-CZ3 4.2Å |
| 50 | M | 95.1 | Very high | 94.7 | Very high | 12 Ų | 12 | 19.7 Ų | 19.7 | 6% | 0.059 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.5 | -33.6 | 179.2 | -69 | -61.1 | -175.2 | 0 | 0 | 112.3 | P46 Y47 E54 G55 W241 A245 I248 | P46-M50 WeakPolarHBondContact O-CB 3.44Å; P46-M50 WeakPolarHBondContact O-CG 3.19Å; P46-M50 PolarHBondContact O-N 3.14Å; Y47-M50 PolarHBondContact O-N 2.97Å; M50-E54 WeakPolarHBondContact O-CA 3.47Å; M50-E54 WeakPolarHBondContact O-CB 3.46Å; M50-E54 PolarHBondContact O-N 3.33Å; M50-E54 HydrophobicContact SD-CG 4.37Å; M50-G55 PolarHBondContact O-N 2.79Å; M50-W241 HydrophobicContact CE-CB 4.49Å; M50-W241 HydrophobicContact CE-CE3 3.8Å; M50-A245 HydrophobicContact CB-CB 4.44Å; M50-A245 HydrophobicContact CE-CB 4.29Å; M50-A245 HydrophobicContact CG-CB 4Å; M50-A245 HydrophobicContact SD-CB 4Å; M50-I248 HydrophobicContact CB-CG1 4.29Å |
| 51 | L | 96.4 | Very high | 95.1 | Very high | 10 Ų | 10 | 19.7 Ų | 19.7 | 5% | 0.052 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -58.7 | -48.1 | 172.2 | 176.8 | 68.3 | 0 | 0 | 0 | 112 | Y47 I48 I49 G55 M56 I248 L252 S284 | Y47-L51 WeakPolarHBondContact O-CB 3.45Å; Y47-L51 PolarHBondContact O-N 2.77Å; I48-L51 WeakPolarHBondContact O-CB 3.2Å; I48-L51 PolarHBondContact O-N 2.97Å; I49-L51 VanDerWaalsContact C-N 3.3Å; I49-L51 PolarHBondContact O-N 3.34Å; L51-G55 CarbonylContact O-C 3.59Å; L51-G55 WeakPolarHBondContact O-CA 3.48Å; L51-G55 PolarHBondContact O-N 3.47Å; L51-M56 HydrophobicContact CD2-CE 4.23Å; L51-M56 HydrophobicContact CG-CE 4.26Å; L51-M56 PolarHBondContact O-N 2.94Å; L51-I248 HydrophobicContact CB-CD1 3.75Å; L51-I248 HydrophobicContact CD1-CD1 3.84Å; L51-I248 HydrophobicContact CG-CD1 4.4Å; L51-L252 HydrophobicContact CD1-CD1 4.25Å; L51-S284 WeakPolarHBondContact CD1-OG 3.41Å; L51-S284 WeakPolarHBondContact CD2-OG 3.46Å |
| 52 | I | 96.1 | Very high | 95.4 | Very high | 77 Ų | 77 | 19.2 Ų | 19.2 | 40% | 0.395 | 10% | 0.103 | S | C | . | . | I | π-helix | trans | -72.1 | -46.3 | -176.1 | -67.7 | 169.2 | 0 | 0 | 0 | 109.9 | I48 I49 P57 Y504 | I48-I52 HydrophobicContact CG2-CD1 4.14Å; I48-I52 WeakPolarHBondContact O-CG1 3.37Å; I48-I52 PolarHBondContact O-N 3.49Å; I49-I52 PolarHBondContact O-N 3.02Å; I52-P57 WeakPolarHBondContact O-CD 3.35Å; I52-Y504 WeakPolarHBondContact CG2-OH 3.48Å; I52-Y504 PolarHBondContact O-OH 3.5Å |
| 53 | V | 94.9 | Very high | 95.6 | Very high | 30 Ų | 30 | 19.2 Ų | 19.2 | 18% | 0.182 | 10% | 0.103 | C | C | . | . | I | π-helix | trans | -83.2 | -30.7 | -169.4 | -178.9 | 0 | 0 | 0 | 0 | 113.4 | I49 M508 V512 S513 L516 | I49-V53 HydrophobicContact CG2-CG2 4.23Å; I49-V53 WeakPolarHBondContact O-CB 3.3Å; I49-V53 WeakPolarHBondContact O-CG2 3.42Å; I49-V53 PolarHBondContact O-N 3.33Å; V53-M508 HydrophobicContact CG1-SD 4.04Å; V53-V512 HydrophobicContact CG1-CG1 3.37Å; V53-S513 PolarHBondContact O-OG 2.69Å; V53-L516 HydrophobicContact CB-CD1 4.38Å; V53-L516 HydrophobicContact CG1-CD1 3.32Å |
| 54 | E | 93.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | I | π-helix | trans | -118 | -54.4 | -179.9 | -61.4 | -171.2 | 142.4 | 0 | 0 | 112 | M50 M56 P57 L58 F249 L516 | M50-E54 WeakPolarHBondContact O-CA 3.47Å; M50-E54 WeakPolarHBondContact O-CB 3.46Å; M50-E54 PolarHBondContact O-N 3.33Å; M50-E54 HydrophobicContact SD-CG 4.37Å; E54-M56 PolarHBondContact O-N 2.95Å; E54-P57 WeakPolarHBondContact O-CD 3.34Å; E54-L58 HydrophobicContact CB-CD1 4.04Å; E54-L58 VanDerWaalsContact O-CB 3.27Å; E54-L58 WeakPolarHBondContact O-CB 3.47Å; E54-L58 WeakPolarHBondContact O-CD1 3.5Å; E54-L58 WeakPolarHBondContact O-CG 3.27Å; E54-L58 PolarHBondContact O-N 3.47Å; E54-F249 HydrophobicContact CB-CE1 4.03Å; E54-F249 WeakPolarHBondContact OE2-CZ 3.15Å; E54-L516 HydrophobicContact CG-CB 4.42Å; E54-L516 HydrophobicContact CG-CD1 4.14Å; E54-L516 WeakPolarHBondContact OE1-CB 3.48Å |
| 55 | G | 95.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | I | π-helix | trans | -55.8 | -57.3 | -172 | 0 | 0 | 0 | 0 | 0 | 114.1 | M50 L51 L59 I248 | M50-G55 PolarHBondContact O-N 2.79Å; L51-G55 CarbonylContact O-C 3.59Å; L51-G55 WeakPolarHBondContact O-CA 3.48Å; L51-G55 PolarHBondContact O-N 3.47Å; G55-L59 VanDerWaalsContact O-CB 3.23Å; G55-L59 WeakPolarHBondContact O-CB 3.43Å; G55-L59 PolarHBondContact O-N 3.36Å; G55-I248 VanDerWaalsContact CA-CG2 3.48Å |
| 56 | M | 96.6 | Very high | 95.8 | Very high | 21 Ų | 21 | 14.9 Ų | 14.9 | 10% | 0.103 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.9 | -47.4 | -178.5 | -72.9 | -174.2 | -173.1 | 0 | 0 | 112.8 | L51 E54 Y60 L281 W505 | L51-M56 HydrophobicContact CD2-CE 4.23Å; L51-M56 HydrophobicContact CG-CE 4.26Å; L51-M56 PolarHBondContact O-N 2.94Å; E54-M56 PolarHBondContact O-N 2.95Å; M56-Y60 WeakPolarHBondContact O-CB 3.12Å; M56-Y60 PolarHBondContact O-N 3.41Å; M56-L281 HydrophobicContact CE-CD2 3.57Å; M56-L281 HydrophobicContact CE-CG 3.87Å; M56-W505 HydrophobicContact CB-CH2 4.23Å; M56-W505 HydrophobicContact CB-CZ3 4.15Å |
| 57 | P | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.7 | -47.3 | 177.2 | -28.2 | 36.7 | 0 | 0 | 0 | 112.8 | I52 E54 Y60 L61 W505 M508 W509 | I52-P57 WeakPolarHBondContact O-CD 3.35Å; E54-P57 WeakPolarHBondContact O-CD 3.34Å; P57-Y60 PolarHBondContact O-N 3Å; P57-L61 WeakPolarHBondContact O-CB 3.3Å; P57-L61 PolarHBondContact O-N 2.76Å; P57-W505 HydrophobicContact CB-CE3 4.28Å; P57-W505 HydrophobicContact CB-CZ3 4.37Å; P57-W505 HydrophobicContact CG-CE3 4.24Å; P57-W505 HydrophobicContact CG-CZ3 4.08Å; P57-M508 HydrophobicContact CB-CB 3.8Å; P57-M508 HydrophobicContact CB-CG 4.44Å; P57-M508 HydrophobicContact CG-CB 3.66Å; P57-M508 HydrophobicContact CG-CG 3.76Å; P57-W509 PolarHBondContact O-NE1 3.22Å |
| 58 | L | 96.6 | Very high | 95.7 | Very high | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.4 | -41.1 | -176.6 | -64.3 | 169 | 0 | 0 | 0 | 111.5 | E54 Y60 L61 E62 F249 L254 V473 T477 I517 | E54-L58 HydrophobicContact CB-CD1 4.04Å; E54-L58 VanDerWaalsContact O-CB 3.27Å; E54-L58 WeakPolarHBondContact O-CB 3.47Å; E54-L58 WeakPolarHBondContact O-CD1 3.5Å; E54-L58 WeakPolarHBondContact O-CG 3.27Å; E54-L58 PolarHBondContact O-N 3.47Å; L58-Y60 VanDerWaalsContact C-N 3.32Å; L58-Y60 PolarHBondContact O-N 3.05Å; L58-L61 WeakPolarHBondContact O-CB 3.39Å; L58-L61 PolarHBondContact O-N 2.99Å; L58-E62 PolarHBondContact O-N 2.94Å; L58-F249 HydrophobicContact CD1-CE1 3.87Å; L58-F249 HydrophobicContact CD1-CZ 4.07Å; L58-L254 HydrophobicContact CB-CD1 3.82Å; L58-L254 HydrophobicContact CB-CD2 4.3Å; L58-L254 HydrophobicContact CD1-CD1 4.18Å; L58-V473 HydrophobicContact CD1-CG1 3.69Å; L58-V473 HydrophobicContact CD2-CG1 3.99Å; L58-V473 HydrophobicContact CG-CG1 4.34Å; L58-T477 HydrophobicContact CD2-CG2 4.36Å; L58-T477 WeakPolarHBondContact CD2-OG1 3.09Å; L58-I517 HydrophobicContact CD1-CD1 4.08Å; L58-I517 HydrophobicContact CD2-CD1 4.23Å |
| 59 | L | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.1 | -45.1 | 173.2 | -179.3 | 60.2 | 0 | 0 | 0 | 111.5 | G55 L61 E62 L63 L252 L254 L259 A276 V279 S280 | G55-L59 VanDerWaalsContact O-CB 3.23Å; G55-L59 WeakPolarHBondContact O-CB 3.43Å; G55-L59 PolarHBondContact O-N 3.36Å; L59-L61 VanDerWaalsContact C-N 3.3Å; L59-L61 PolarHBondContact O-N 3.26Å; L59-E62 PolarHBondContact O-N 3.19Å; L59-L63 HydrophobicContact CD1-CD1 4.14Å; L59-L63 HydrophobicContact CD1-CG 4.08Å; L59-L63 HydrophobicContact CG-CD1 4.1Å; L59-L63 HydrophobicContact CG-CG 4.4Å; L59-L63 WeakPolarHBondContact O-CB 3.22Å; L59-L63 VanDerWaalsContact O-CG 3.27Å; L59-L63 WeakPolarHBondContact O-CG 3.47Å; L59-L63 PolarHBondContact O-N 3.04Å; L59-L252 HydrophobicContact CD2-CD2 4.48Å; L59-L254 HydrophobicContact CB-CD2 3.95Å; L59-L254 HydrophobicContact CD1-CD2 4.25Å; L59-L259 HydrophobicContact CD1-CD1 3.26Å; L59-L259 HydrophobicContact CD1-CD2 3.98Å; L59-L259 HydrophobicContact CD1-CG 4.15Å; L59-A276 HydrophobicContact CD2-CB 4.32Å; L59-A276 WeakPolarHBondContact CD2-O 3.45Å; L59-A276 HydrophobicContact CG-CB 4.16Å; L59-V279 HydrophobicContact CD2-CB 4.23Å; L59-V279 HydrophobicContact CD2-CG1 4.17Å; L59-S280 WeakPolarHBondContact CD2-OG 3.36Å |
| 60 | Y | 96.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 1% | 0.012 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.2 | -40.2 | 178.1 | 178.9 | -149.1 | 0 | 0 | 0 | 111.5 | M56 P57 L58 A64 C272 Q273 A276 W505 W509 | M56-Y60 WeakPolarHBondContact O-CB 3.12Å; M56-Y60 PolarHBondContact O-N 3.41Å; P57-Y60 PolarHBondContact O-N 3Å; L58-Y60 VanDerWaalsContact C-N 3.32Å; L58-Y60 PolarHBondContact O-N 3.05Å; Y60-A64 HydrophobicContact CE2-CB 4.43Å; Y60-A64 WeakPolarHBondContact O-CB 3.32Å; Y60-A64 PolarHBondContact O-N 3.29Å; Y60-C272 HydrophobicContact CE2-CB 4.48Å; Y60-Q273 HydrophobicContact CD1-CG 4.42Å; Y60-Q273 HydrophobicContact CD2-CB 4.16Å; Y60-Q273 HydrophobicContact CE1-CB 4.25Å; Y60-Q273 HydrophobicContact CE1-CG 4.11Å; Y60-Q273 HydrophobicContact CE2-CB 3.67Å; Y60-Q273 HydrophobicContact CE2-CG 4.36Å; Y60-A276 HydrophobicContact CD2-CB 4.43Å; Y60-A276 HydrophobicContact CG-CB 4.42Å; Y60-W505 AromaticContact CD1-CD2 3.7Å; Y60-W505 HydrophobicContact CD1-CD2 3.7Å; Y60-W505 AromaticContact CD1-CE3 3.83Å; Y60-W505 HydrophobicContact CD1-CE3 3.83Å; Y60-W505 HydrophobicContact CD1-CG 4.06Å; Y60-W505 HydrophobicContact CD1-CZ3 4.28Å; Y60-W505 HydrophobicContact CE1-CD2 4.09Å; Y60-W505 HydrophobicContact CE1-CG 4.01Å; Y60-W509 AromaticContact CD1-CH2 3.47Å; Y60-W509 HydrophobicContact CD1-CH2 3.47Å; Y60-W509 VanDerWaalsContact CD1-CH2 3.47Å; Y60-W509 AromaticContact CD1-CZ2 3.22Å; Y60-W509 HydrophobicContact CD1-CZ2 3.22Å; Y60-W509 AromaticContact CE1-CH2 3.33Å; Y60-W509 HydrophobicContact CE1-CH2 3.33Å; Y60-W509 AromaticContact CE1-CZ2 3.65Å; Y60-W509 HydrophobicContact CE1-CZ2 3.65Å; Y60-W509 HydrophobicContact CE1-CZ3 4.42Å; Y60-W509 HydrophobicContact CG-CH2 4.26Å; Y60-W509 AromaticContact CG-CZ2 3.8Å; Y60-W509 HydrophobicContact CG-CZ2 3.8Å |
| 61 | L | 96.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.7 | -49.8 | 177.1 | -175.4 | 150.2 | 0 | 0 | 0 | 111.7 | P57 L58 L59 A64 V65 T477 V480 W509 | P57-L61 WeakPolarHBondContact O-CB 3.3Å; P57-L61 PolarHBondContact O-N 2.76Å; L58-L61 WeakPolarHBondContact O-CB 3.39Å; L58-L61 PolarHBondContact O-N 2.99Å; L59-L61 VanDerWaalsContact C-N 3.3Å; L59-L61 PolarHBondContact O-N 3.26Å; L61-A64 PolarHBondContact O-N 3.4Å; L61-V65 HydrophobicContact CD2-CG2 4.26Å; L61-V65 VanDerWaalsContact O-CG2 3.32Å; L61-V65 WeakPolarHBondContact O-CG2 3.28Å; L61-V65 PolarHBondContact O-N 3.39Å; L61-T477 HydrophobicContact CD1-CG2 4.49Å; L61-V480 HydrophobicContact CD1-CB 4.12Å; L61-V480 HydrophobicContact CD1-CG1 4.13Å; L61-V480 HydrophobicContact CD2-CB 4.36Å; L61-V480 HydrophobicContact CD2-CG2 3.88Å; L61-V480 HydrophobicContact CG-CB 4.41Å; L61-V480 HydrophobicContact CG-CG1 4.29Å; L61-V480 HydrophobicContact CG-CG2 4.36Å; L61-W509 HydrophobicContact CB-CZ2 4.15Å; L61-W509 HydrophobicContact CD1-CD2 4.45Å; L61-W509 HydrophobicContact CD1-CG 4.18Å |
| 62 | E | 96.1 | Very high | 95 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.009 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 179.2 | -81 | -170.9 | -136.6 | 0 | 0 | 112.9 | L58 L59 A64 V65 G66 L254 G255 I260 | L58-E62 PolarHBondContact O-N 2.94Å; L59-E62 PolarHBondContact O-N 3.19Å; E62-A64 VanDerWaalsContact C-N 3.28Å; E62-A64 PolarHBondContact O-N 3.44Å; E62-V65 PolarHBondContact O-N 2.92Å; E62-G66 PolarHBondContact O-N 3.49Å; E62-L254 VanDerWaalsContact OE1-CA 3.28Å; E62-L254 WeakPolarHBondContact OE1-CA 3.21Å; E62-G255 PolarHBondContact OE1-N 2.97Å; E62-I260 HydrophobicContact CB-CG1 4.14Å; E62-I260 HydrophobicContact CG-CD1 4.46Å; E62-I260 HydrophobicContact CG-CG1 4.29Å |
| 63 | L | 96.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.01 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.4 | -40.6 | 177.8 | -69.3 | -176.4 | 0 | 0 | 0 | 111.3 | F14 L59 Q67 L259 A263 C272 A276 | F14-L63 HydrophobicContact CZ-CD2 3.92Å; L59-L63 HydrophobicContact CD1-CD1 4.14Å; L59-L63 HydrophobicContact CD1-CG 4.08Å; L59-L63 HydrophobicContact CG-CD1 4.1Å; L59-L63 HydrophobicContact CG-CG 4.4Å; L59-L63 WeakPolarHBondContact O-CB 3.22Å; L59-L63 VanDerWaalsContact O-CG 3.27Å; L59-L63 WeakPolarHBondContact O-CG 3.47Å; L59-L63 PolarHBondContact O-N 3.04Å; L63-Q67 VanDerWaalsContact O-CB 3.28Å; L63-Q67 WeakPolarHBondContact O-CB 3.44Å; L63-Q67 PolarHBondContact O-N 3.13Å; L63-L259 HydrophobicContact CD2-CB 4.05Å; L63-L259 HydrophobicContact CD2-CD2 4.28Å; L63-A263 HydrophobicContact CB-CB 4.48Å; L63-A263 HydrophobicContact CD2-CB 3.89Å; L63-A263 WeakPolarHBondContact O-CB 3.49Å; L63-C272 HydrophobicContact CB-CB 4.38Å; L63-A276 HydrophobicContact CD1-CB 4Å |
| 64 | A | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.3 | -44.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y60 L61 E62 Q67 R68 F489 L493 | Y60-A64 HydrophobicContact CE2-CB 4.43Å; Y60-A64 WeakPolarHBondContact O-CB 3.32Å; Y60-A64 PolarHBondContact O-N 3.29Å; L61-A64 PolarHBondContact O-N 3.4Å; E62-A64 VanDerWaalsContact C-N 3.28Å; E62-A64 PolarHBondContact O-N 3.44Å; A64-Q67 PolarHBondContact O-N 3.18Å; A64-R68 VanDerWaalsContact O-CB 3.22Å; A64-R68 WeakPolarHBondContact O-CB 3.42Å; A64-R68 PolarHBondContact O-N 2.77Å; A64-F489 HydrophobicContact CB-CE1 4.49Å; A64-F489 HydrophobicContact CB-CE2 4.27Å; A64-F489 HydrophobicContact CB-CZ 3.61Å; A64-L493 HydrophobicContact CB-CD2 3.67Å |
| 65 | V | 95.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.6 | -49.4 | 176.7 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | L61 E62 Q67 R68 M69 A76 I80 V480 F489 | L61-V65 HydrophobicContact CD2-CG2 4.26Å; L61-V65 VanDerWaalsContact O-CG2 3.32Å; L61-V65 WeakPolarHBondContact O-CG2 3.28Å; L61-V65 PolarHBondContact O-N 3.39Å; E62-V65 PolarHBondContact O-N 2.92Å; V65-Q67 PolarHBondContact O-N 3.26Å; V65-R68 PolarHBondContact O-N 2.97Å; V65-M69 HydrophobicContact CG1-CG 4.23Å; V65-M69 WeakPolarHBondContact O-CB 3.49Å; V65-M69 VanDerWaalsContact O-CG 3.3Å; V65-M69 WeakPolarHBondContact O-CG 3.39Å; V65-M69 PolarHBondContact O-N 2.91Å; V65-A76 HydrophobicContact CG1-CB 4.22Å; V65-I80 HydrophobicContact CG1-CD1 4.4Å; V65-V480 HydrophobicContact CG2-CG2 3.71Å; V65-F489 HydrophobicContact CG2-CE2 4.08Å; V65-F489 HydrophobicContact CG2-CZ 4.3Å |
| 66 | G | 94.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.5 | -46.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E62 R68 R70 S264 | E62-G66 PolarHBondContact O-N 3.49Å; G66-R68 PolarHBondContact O-N 3.3Å; G66-R70 PolarHBondContact O-N 2.65Å; G66-S264 VanDerWaalsContact O-CA 3.24Å; G66-S264 WeakPolarHBondContact O-CA 3.49Å; G66-S264 WeakPolarHBondContact O-CB 3.44Å |
| 67 | Q | 94.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.009 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -68.4 | -34.1 | -179.6 | -168 | 175.2 | -50.5 | 0 | 0 | 112.7 | L63 A64 V65 A263 N266 E267 P268 N270 M496 | L63-Q67 VanDerWaalsContact O-CB 3.28Å; L63-Q67 WeakPolarHBondContact O-CB 3.44Å; L63-Q67 PolarHBondContact O-N 3.13Å; A64-Q67 PolarHBondContact O-N 3.18Å; V65-Q67 PolarHBondContact O-N 3.26Å; Q67-A263 WeakPolarHBondContact CA-O 3.5Å; Q67-A263 HydrophobicContact CB-CB 4.4Å; Q67-N266 HydrophobicContact CG-CB 4.13Å; Q67-E267 PolarHBondContact NE2-O 2.84Å; Q67-E267 VanDerWaalsContact NE2-O 3.15Å; Q67-P268 PolarHBondContact NE2-O 2.98Å; Q67-N270 PolarHBondContact NE2-O 3.46Å; Q67-M496 HydrophobicContact CB-CE 3.79Å; Q67-M496 HydrophobicContact CG-CE 3.56Å |
| 68 | R | 94 | Very high | 94.7 | Very high | 105 Ų | 105 | 25 Ų | 25 | 40% | 0.396 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -73.5 | -47 | 178.1 | 177.4 | 56.7 | -179.2 | 127.1 | -10.1 | 112.6 | A64 V65 G66 D492 M496 | A64-R68 VanDerWaalsContact O-CB 3.22Å; A64-R68 WeakPolarHBondContact O-CB 3.42Å; A64-R68 PolarHBondContact O-N 2.77Å; V65-R68 PolarHBondContact O-N 2.97Å; G66-R68 PolarHBondContact O-N 3.3Å; R68-D492 IonicContact CZ-OD2 2.78Å; R68-D492 IonicContact NE-OD2 2.72Å; R68-D492 PolarHBondContact NE-OD2 2.89Å; R68-D492 IonicContact NH2-OD1 3.44Å; R68-D492 IonicContact NH2-OD2 3.36Å; R68-D492 PolarHBondContact NH2-OD2 3.09Å; R68-M496 HydrophobicContact CB-CE 4.16Å; R68-M496 HydrophobicContact CB-SD 3.59Å; R68-M496 VanDerWaalsContact CB-SD 3.59Å; R68-M496 VanDerWaalsContact CD-SD 3.51Å; R68-M496 HydrophobicContact CG-SD 4.05Å |
| 69 | M | 93.3 | Very high | 94.5 | Very high | 23 Ų | 23 | 28.6 Ų | 28.6 | 11% | 0.113 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -81.6 | -23 | -172.5 | -60.1 | -57.5 | 167 | 0 | 0 | 112.6 | V65 Q71 A76 T79 I80 Y484 | V65-M69 HydrophobicContact CG1-CG 4.23Å; V65-M69 WeakPolarHBondContact O-CB 3.49Å; V65-M69 VanDerWaalsContact O-CG 3.3Å; V65-M69 WeakPolarHBondContact O-CG 3.39Å; V65-M69 PolarHBondContact O-N 2.91Å; M69-Q71 WeakPolarHBondContact O-CG 3.37Å; M69-Q71 PolarHBondContact O-N 2.99Å; M69-Q71 VanDerWaalsContact O-N 3.12Å; M69-A76 HydrophobicContact CB-CB 3.88Å; M69-A76 HydrophobicContact CG-CB 4.12Å; M69-T79 HydrophobicContact SD-CG2 3.83Å; M69-I80 HydrophobicContact CE-CD1 4.24Å; M69-I80 HydrophobicContact CE-CG1 3.76Å; M69-Y484 HydrophobicContact CE-CE2 4.14Å |
| 70 | R | 92.8 | Very high | 94.2 | Very high | 68 Ų | 68 | 29.6 Ų | 29.6 | 26% | 0.257 | 14% | 0.136 | S | C | . | . | trans | 55.7 | 30.1 | 175.9 | -69.8 | -90.1 | -58.5 | 168.9 | 6.1 | 113.3 | R5 G66 N266 | R5-R70 VanDerWaalsContact NH1-C 3.29Å; R5-R70 PolarHBondContact NH1-O 3.31Å; R5-R70 VanDerWaalsContact NH1-O 3.1Å; R5-R70 PolarHBondContact O-NH2 3.43Å; G66-R70 PolarHBondContact O-N 2.65Å; R70-N266 PolarHBondContact NH1-O 3.01Å | ||
| 71 | Q | 91.6 | Very high | 94 | Very high | 74 Ų | 74 | 30.5 Ų | 30.5 | 35% | 0.346 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -135.1 | 161.2 | 179.7 | -69.8 | 178.6 | -4 | 0 | 0 | 109.6 | M69 G75 T79 S264 | M69-Q71 WeakPolarHBondContact O-CG 3.37Å; M69-Q71 PolarHBondContact O-N 2.99Å; M69-Q71 VanDerWaalsContact O-N 3.12Å; Q71-G75 VanDerWaalsContact OE1-CA 3.24Å; Q71-G75 PolarHBondContact OE1-O 3.49Å; Q71-T79 PolarHBondContact OE1-OG1 3.27Å; Q71-S264 WeakPolarHBondContact O-CB 3.47Å |
| 72 | G | 90.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -63.1 | 168.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I74 G75 A76 D420 | G72-I74 PolarHBondContact O-N 3.4Å; G72-G75 PolarHBondContact O-N 2.91Å; G72-A76 PolarHBondContact O-N 3.33Å; G72-D420 PolarHBondContact N-OD2 3.42Å | ||
| 73 | S | 93.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -47.2 | -50.9 | -174.7 | 58.5 | 0 | 0 | 0 | 0 | 113.8 | G75 A76 W77 P417 | S73-G75 VanDerWaalsContact C-N 3.35Å; S73-G75 PolarHBondContact O-N 3.28Å; S73-A76 PolarHBondContact O-N 3.46Å; S73-W77 PolarHBondContact O-N 3.15Å; S73-W77 VanDerWaalsContact O-N 3.07Å; S73-P417 WeakPolarHBondContact OG-CG 3.37Å |
| 74 | I | 94.7 | Very high | 93.5 | Very high | 51 Ų | 51 | 38.5 Ų | 38.5 | 26% | 0.262 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.9 | -44.5 | 179.5 | -59.5 | 176.1 | 0 | 0 | 0 | 111.8 | G72 R78 I89 V92 P417 | G72-I74 PolarHBondContact O-N 3.4Å; I74-R78 VanDerWaalsContact O-CB 3.25Å; I74-R78 WeakPolarHBondContact O-CB 3.42Å; I74-R78 PolarHBondContact O-N 3.49Å; I74-R78 VanDerWaalsContact O-N 3.1Å; I74-I89 HydrophobicContact CD1-CG1 3.92Å; I74-I89 HydrophobicContact CG1-CG1 4.12Å; I74-V92 HydrophobicContact CD1-CG2 4.16Å; I74-V92 HydrophobicContact CG1-CG2 4.36Å; I74-P417 HydrophobicContact CB-CB 4.2Å; I74-P417 HydrophobicContact CD1-CB 3.79Å; I74-P417 HydrophobicContact CG1-CB 3.91Å; I74-P417 HydrophobicContact CG1-CG 4.48Å |
| 75 | G | 93.1 | Very high | 93.4 | Very high | 18 Ų | 18 | 39.2 Ų | 39.2 | 19% | 0.186 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.5 | -42.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q71 G72 S73 W77 R78 T79 | Q71-G75 VanDerWaalsContact OE1-CA 3.24Å; Q71-G75 PolarHBondContact OE1-O 3.49Å; G72-G75 PolarHBondContact O-N 2.91Å; S73-G75 VanDerWaalsContact C-N 3.35Å; S73-G75 PolarHBondContact O-N 3.28Å; G75-W77 PolarHBondContact O-N 3.43Å; G75-R78 PolarHBondContact O-N 3.33Å; G75-T79 WeakPolarHBondContact O-CB 3.37Å; G75-T79 PolarHBondContact O-N 3.44Å; G75-T79 PolarHBondContact O-OG1 3.35Å |
| 76 | A | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58 | -50.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V65 M69 G72 S73 T79 I80 I260 | V65-A76 HydrophobicContact CG1-CB 4.22Å; M69-A76 HydrophobicContact CB-CB 3.88Å; M69-A76 HydrophobicContact CG-CB 4.12Å; G72-A76 PolarHBondContact O-N 3.33Å; S73-A76 PolarHBondContact O-N 3.46Å; A76-T79 PolarHBondContact O-N 2.96Å; A76-I80 PolarHBondContact O-N 2.93Å; A76-I260 HydrophobicContact CB-CG2 4.17Å |
| 77 | W | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.3 | -36.7 | 179.1 | -64.6 | 122 | 0 | 0 | 0 | 112.8 | S73 G75 T79 I80 S81 L84 V87 I260 E476 A479 V480 | S73-W77 PolarHBondContact O-N 3.15Å; S73-W77 VanDerWaalsContact O-N 3.07Å; G75-W77 PolarHBondContact O-N 3.43Å; W77-T79 VanDerWaalsContact C-N 3.3Å; W77-T79 PolarHBondContact O-N 3.29Å; W77-I80 HydrophobicContact CE3-CD1 3.66Å; W77-I80 HydrophobicContact CZ3-CD1 3.64Å; W77-I80 PolarHBondContact O-N 3.36Å; W77-S81 PolarHBondContact O-N 2.97Å; W77-L84 WeakPolarHBondContact CB-O 3.39Å; W77-V87 HydrophobicContact CD2-CB 4.42Å; W77-V87 HydrophobicContact CD2-CG1 4.22Å; W77-V87 HydrophobicContact CG-CB 4.07Å; W77-V87 HydrophobicContact CG-CG1 4.23Å; W77-I260 HydrophobicContact CZ2-CD1 3.89Å; W77-E476 HydrophobicContact CH2-CB 3.54Å; W77-E476 HydrophobicContact CH2-CG 3.62Å; W77-E476 HydrophobicContact CZ2-CB 3.7Å; W77-E476 HydrophobicContact CZ2-CG 3.24Å; W77-E476 VanDerWaalsContact CZ2-OE1 3.29Å; W77-E476 WeakPolarHBondContact CZ2-OE1 3.23Å; W77-E476 HydrophobicContact CZ3-CB 4.38Å; W77-E476 HydrophobicContact CZ3-CG 4.45Å; W77-E476 PolarHBondContact NE1-OE1 3.05Å; W77-A479 HydrophobicContact CE3-CB 4.17Å; W77-A479 HydrophobicContact CZ3-CB 3.77Å; W77-V480 HydrophobicContact CH2-CG2 3.93Å; W77-V480 HydrophobicContact CZ3-CG2 3.85Å |
| 78 | R | 94.3 | Very high | 93.4 | Very high | 171 Ų | 171 | 39.1 Ų | 39.1 | 65% | 0.645 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -62.8 | -35.1 | 173.8 | -174.4 | 177 | 179.9 | 172.1 | 2 | 112.9 | I74 G75 S81 | I74-R78 VanDerWaalsContact O-CB 3.25Å; I74-R78 WeakPolarHBondContact O-CB 3.42Å; I74-R78 PolarHBondContact O-N 3.49Å; I74-R78 VanDerWaalsContact O-N 3.1Å; G75-R78 PolarHBondContact O-N 3.33Å; R78-S81 CarbonylContact O-C 3.55Å |
| 79 | T | 92.4 | Very high | 93.5 | Very high | 79 Ų | 79 | 36.9 Ų | 36.9 | 49% | 0.485 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -70.4 | -33.9 | 178.5 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | M69 Q71 G75 A76 W77 | M69-T79 HydrophobicContact SD-CG2 3.83Å; Q71-T79 PolarHBondContact OE1-OG1 3.27Å; G75-T79 WeakPolarHBondContact O-CB 3.37Å; G75-T79 PolarHBondContact O-N 3.44Å; G75-T79 PolarHBondContact O-OG1 3.35Å; A76-T79 PolarHBondContact O-N 2.96Å; W77-T79 VanDerWaalsContact C-N 3.3Å; W77-T79 PolarHBondContact O-N 3.29Å |
| 80 | I | 91.9 | Very high | 93.6 | Very high | 21 Ų | 21 | 35.8 Ų | 35.8 | 11% | 0.108 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.4 | -51.9 | 173.1 | -69.7 | 168 | 0 | 0 | 0 | 110.5 | V65 M69 A76 W77 L84 V480 Y484 | V65-I80 HydrophobicContact CG1-CD1 4.4Å; M69-I80 HydrophobicContact CE-CD1 4.24Å; M69-I80 HydrophobicContact CE-CG1 3.76Å; A76-I80 PolarHBondContact O-N 2.93Å; W77-I80 HydrophobicContact CE3-CD1 3.66Å; W77-I80 HydrophobicContact CZ3-CD1 3.64Å; W77-I80 PolarHBondContact O-N 3.36Å; I80-L84 HydrophobicContact CG2-CD1 4.04Å; I80-V480 HydrophobicContact CD1-CG2 4.35Å; I80-Y484 HydrophobicContact CB-CD2 4.29Å; I80-Y484 HydrophobicContact CG1-CD2 3.98Å; I80-Y484 HydrophobicContact CG1-CE2 4.47Å; I80-Y484 HydrophobicContact CG1-CG 4.48Å; I80-Y484 HydrophobicContact CG2-CD2 3.99Å; I80-Y484 HydrophobicContact CG2-CG 4.31Å |
| 81 | S | 92.6 | Very high | 93.8 | Very high | 21 Ų | 21 | 32.5 Ų | 32.5 | 15% | 0.147 | 17% | 0.165 | C | C | . | . | trans | -157.8 | 136.4 | 173.2 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | W77 R78 Y83 L84 | W77-S81 PolarHBondContact O-N 2.97Å; R78-S81 CarbonylContact O-C 3.55Å; S81-Y83 PolarHBondContact O-N 3.15Å; S81-Y83 VanDerWaalsContact O-N 3.16Å; S81-L84 PolarHBondContact O-N 2.92Å | ||
| 82 | P | 91.1 | Very high | 94 | Very high | 68 Ų | 68 | 30.1 Ų | 30.1 | 44% | 0.442 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -59.2 | -31.1 | 179 | 23.5 | -32.8 | 0 | 0 | 0 | 112.8 | L84 S85 T577 | P82-L84 PolarHBondContact O-N 3.23Å; P82-S85 PolarHBondContact O-N 2.71Å; P82-S85 PolarHBondContact O-OG 2.83Å; P82-T577 HydrophobicContact CB-CG2 4.15Å |
| 83 | Y | 92.9 | Very high | 94.2 | Very high | 83 Ų | 83 | 31.7 Ų | 31.7 | 33% | 0.325 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -66.6 | -21.4 | 177.1 | -65.5 | -82 | 0 | 0 | 0 | 113.8 | S81 A574 T577 F578 | S81-Y83 PolarHBondContact O-N 3.15Å; S81-Y83 VanDerWaalsContact O-N 3.16Å; Y83-A574 WeakPolarHBondContact CD1-O 3.29Å; Y83-T577 HydrophobicContact CD1-CG2 3.92Å; Y83-T577 HydrophobicContact CE1-CG2 3.89Å; Y83-T577 HydrophobicContact CG-CG2 4.29Å; Y83-F578 HydrophobicContact CE1-CB 3.9Å |
| 84 | L | 94.1 | Very high | 94.2 | Very high | 23 Ų | 23 | 31.7 Ų | 31.7 | 12% | 0.12 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -94.8 | 0.4 | -176.2 | -66.2 | 174.7 | 0 | 0 | 0 | 113.5 | W77 I80 S81 P82 G86 V87 V475 A479 V483 | W77-L84 WeakPolarHBondContact CB-O 3.39Å; I80-L84 HydrophobicContact CG2-CD1 4.04Å; S81-L84 PolarHBondContact O-N 2.92Å; P82-L84 PolarHBondContact O-N 3.23Å; L84-G86 PolarHBondContact O-N 3.13Å; L84-V87 WeakPolarHBondContact O-CB 3.33Å; L84-V87 WeakPolarHBondContact O-CG2 3.31Å; L84-V87 PolarHBondContact O-N 3.17Å; L84-V475 HydrophobicContact CD2-CG1 4.16Å; L84-A479 HydrophobicContact CD1-CB 3.4Å; L84-A479 VanDerWaalsContact CD1-CB 3.4Å; L84-A479 HydrophobicContact CD2-CB 4.41Å; L84-V483 HydrophobicContact CD1-CB 4.36Å; L84-V483 HydrophobicContact CD1-CG1 4.16Å |
| 85 | S | 93.3 | Very high | 94.2 | Very high | 16 Ų | 16 | 29.2 Ų | 29.2 | 11% | 0.112 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.1 | -22 | 178.4 | 55.6 | 0 | 0 | 0 | 0 | 113.7 | P82 V87 G88 I89 V573 | P82-S85 PolarHBondContact O-N 2.71Å; P82-S85 PolarHBondContact O-OG 2.83Å; S85-V87 VanDerWaalsContact C-N 3.26Å; S85-V87 PolarHBondContact O-N 3.32Å; S85-G88 PolarHBondContact O-N 3.4Å; S85-I89 PolarHBondContact O-N 2.89Å; S85-V573 WeakPolarHBondContact OG-CG1 3.38Å |
| 86 | G | 94.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.2 | -25.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L84 I89 A90 C569 | L84-G86 PolarHBondContact O-N 3.13Å; G86-I89 PolarHBondContact O-N 3.38Å; G86-A90 WeakPolarHBondContact O-CB 3.25Å; G86-A90 PolarHBondContact O-N 3.47Å; G86-C569 WeakPolarHBondContact CA-O 3.34Å |
| 87 | V | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.5 | -48.7 | 175.4 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | W77 L84 S85 I89 A90 S91 I472 V475 E476 I570 | W77-V87 HydrophobicContact CD2-CB 4.42Å; W77-V87 HydrophobicContact CD2-CG1 4.22Å; W77-V87 HydrophobicContact CG-CB 4.07Å; W77-V87 HydrophobicContact CG-CG1 4.23Å; L84-V87 WeakPolarHBondContact O-CB 3.33Å; L84-V87 WeakPolarHBondContact O-CG2 3.31Å; L84-V87 PolarHBondContact O-N 3.17Å; S85-V87 VanDerWaalsContact C-N 3.26Å; S85-V87 PolarHBondContact O-N 3.32Å; V87-I89 VanDerWaalsContact C-N 3.29Å; V87-I89 PolarHBondContact O-N 3.46Å; V87-A90 WeakPolarHBondContact O-CB 3.39Å; V87-A90 PolarHBondContact O-N 3.49Å; V87-S91 PolarHBondContact O-N 2.87Å; V87-S91 PolarHBondContact O-OG 2.96Å; V87-I472 HydrophobicContact CG1-CG2 4.09Å; V87-V475 HydrophobicContact CG2-CB 4.31Å; V87-V475 HydrophobicContact CG2-CG1 3.51Å; V87-E476 HydrophobicContact CG1-CG 3.49Å; V87-E476 VanDerWaalsContact CG1-CG 3.49Å; V87-I570 HydrophobicContact CG2-CD1 4.45Å; V87-I570 HydrophobicContact CG2-CG1 4.23Å; V87-I570 HydrophobicContact CG2-CG2 4.43Å |
| 88 | G | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65 | -32.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S85 V92 | S85-G88 PolarHBondContact O-N 3.4Å; G88-V92 WeakPolarHBondContact O-CG2 3.44Å; G88-V92 PolarHBondContact O-N 3.34Å; G88-V92 VanDerWaalsContact O-N 3.11Å |
| 89 | I | 95.8 | Very high | 94.2 | Very high | 58 Ų | 58 | 24 Ų | 24 | 30% | 0.297 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -67.7 | -44.5 | 174.6 | -65.2 | 168.6 | 0 | 0 | 0 | 109.9 | I74 S85 G86 V87 S91 V92 V93 C569 V573 | I74-I89 HydrophobicContact CD1-CG1 3.92Å; I74-I89 HydrophobicContact CG1-CG1 4.12Å; S85-I89 PolarHBondContact O-N 2.89Å; G86-I89 PolarHBondContact O-N 3.38Å; V87-I89 VanDerWaalsContact C-N 3.29Å; V87-I89 PolarHBondContact O-N 3.46Å; I89-S91 VanDerWaalsContact C-N 3.33Å; I89-S91 PolarHBondContact O-N 2.9Å; I89-V92 PolarHBondContact O-N 3.46Å; I89-V92 VanDerWaalsContact O-N 3.15Å; I89-V93 HydrophobicContact CG2-CG2 4.46Å; I89-V93 WeakPolarHBondContact O-CG2 3.31Å; I89-V93 PolarHBondContact O-N 3.22Å; I89-C569 HydrophobicContact CB-CB 4.41Å; I89-C569 HydrophobicContact CG2-CB 4.15Å; I89-V573 HydrophobicContact CD1-CG2 3.93Å |
| 90 | A | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57 | -46.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G86 V87 V92 V93 V94 I472 S566 C569 I570 | G86-A90 WeakPolarHBondContact O-CB 3.25Å; G86-A90 PolarHBondContact O-N 3.47Å; V87-A90 WeakPolarHBondContact O-CB 3.39Å; V87-A90 PolarHBondContact O-N 3.49Å; A90-V92 VanDerWaalsContact C-N 3.32Å; A90-V92 PolarHBondContact O-N 3.17Å; A90-V93 PolarHBondContact O-N 3.41Å; A90-V94 WeakPolarHBondContact O-CG2 3.34Å; A90-V94 PolarHBondContact O-N 2.92Å; A90-I472 HydrophobicContact CB-CD1 3.79Å; A90-I472 HydrophobicContact CB-CG1 3.87Å; A90-S566 WeakPolarHBondContact CB-O 3.32Å; A90-C569 HydrophobicContact CB-CB 4.03Å; A90-I570 HydrophobicContact CB-CG1 4.22Å |
| 91 | S | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.1 | -39.4 | 175.7 | -57.9 | 0 | 0 | 0 | 0 | 113 | V87 I89 S95 G255 F256 | V87-S91 PolarHBondContact O-N 2.87Å; V87-S91 PolarHBondContact O-OG 2.96Å; I89-S91 VanDerWaalsContact C-N 3.33Å; I89-S91 PolarHBondContact O-N 2.9Å; S91-S95 VanDerWaalsContact O-CB 3.27Å; S91-S95 WeakPolarHBondContact O-CB 3.49Å; S91-S95 PolarHBondContact O-N 2.87Å; S91-S95 PolarHBondContact O-OG 3.5Å; S91-G255 WeakPolarHBondContact CB-O 3.5Å; S91-G255 PolarHBondContact OG-O 3.29Å; S91-F256 WeakPolarHBondContact CB-O 3.38Å |
| 92 | V | 95.8 | Very high | 94.1 | Very high | 23 Ų | 23 | 20 Ų | 20 | 14% | 0.139 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.2 | -43.4 | 176.1 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | I74 G88 I89 A90 S95 F96 I414 P417 | I74-V92 HydrophobicContact CD1-CG2 4.16Å; I74-V92 HydrophobicContact CG1-CG2 4.36Å; G88-V92 WeakPolarHBondContact O-CG2 3.44Å; G88-V92 PolarHBondContact O-N 3.34Å; G88-V92 VanDerWaalsContact O-N 3.11Å; I89-V92 PolarHBondContact O-N 3.46Å; I89-V92 VanDerWaalsContact O-N 3.15Å; A90-V92 VanDerWaalsContact C-N 3.32Å; A90-V92 PolarHBondContact O-N 3.17Å; V92-S95 PolarHBondContact O-N 2.87Å; V92-F96 WeakPolarHBondContact O-CB 3.44Å; V92-F96 PolarHBondContact O-N 3.45Å; V92-I414 HydrophobicContact CG1-CG2 4.33Å; V92-P417 HydrophobicContact CG2-CB 4.28Å; V92-P417 HydrophobicContact CG2-CG 3.91Å |
| 93 | V | 95.8 | Very high | 94.3 | Very high | 33 Ų | 33 | 16.8 Ų | 16.8 | 20% | 0.2 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.3 | -45.9 | 177.6 | 172 | 0 | 0 | 0 | 0 | 111 | I89 A90 F96 F97 | I89-V93 HydrophobicContact CG2-CG2 4.46Å; I89-V93 WeakPolarHBondContact O-CG2 3.31Å; I89-V93 PolarHBondContact O-N 3.22Å; A90-V93 PolarHBondContact O-N 3.41Å; V93-F96 WeakPolarHBondContact O-CB 3.33Å; V93-F96 PolarHBondContact O-N 3.13Å; V93-F97 HydrophobicContact CG1-CD2 4.19Å; V93-F97 HydrophobicContact CG1-CE1 4.46Å; V93-F97 HydrophobicContact CG1-CE2 3.51Å; V93-F97 HydrophobicContact CG1-CZ 3.66Å; V93-F97 PolarHBondContact O-N 3.39Å |
| 94 | V | 94.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 177.6 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | A90 F96 F97 L98 F256 A465 L469 I472 | A90-V94 WeakPolarHBondContact O-CG2 3.34Å; A90-V94 PolarHBondContact O-N 2.92Å; V94-F96 VanDerWaalsContact C-N 3.25Å; V94-F96 PolarHBondContact O-N 3.47Å; V94-F97 PolarHBondContact O-N 2.87Å; V94-L98 HydrophobicContact CG1-CD1 3.84Å; V94-L98 PolarHBondContact O-N 3.24Å; V94-F256 HydrophobicContact CG1-CD1 3.72Å; V94-F256 HydrophobicContact CG1-CE1 3.57Å; V94-A465 HydrophobicContact CG1-CB 3.85Å; V94-L469 HydrophobicContact CG1-CD2 4.49Å; V94-I472 HydrophobicContact CG2-CD1 3.94Å |
| 95 | S | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.1 | -33.7 | 176.1 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | S91 V92 S99 F256 A413 | S91-S95 VanDerWaalsContact O-CB 3.27Å; S91-S95 WeakPolarHBondContact O-CB 3.49Å; S91-S95 PolarHBondContact O-N 2.87Å; S91-S95 PolarHBondContact O-OG 3.5Å; V92-S95 PolarHBondContact O-N 2.87Å; S95-S99 VanDerWaalsContact O-CB 3.3Å; S95-S99 WeakPolarHBondContact O-CB 3.47Å; S95-S99 PolarHBondContact O-N 2.83Å; S95-S99 PolarHBondContact O-OG 3.37Å; S95-F256 PolarHBondContact OG-O 3.27Å; S95-A413 WeakPolarHBondContact OG-CB 3.39Å |
| 96 | F | 95.4 | Very high | 94.5 | Very high | 48 Ų | 48 | 11.1 Ų | 11.1 | 21% | 0.211 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64 | -51.1 | 173.7 | -179.8 | -94 | 0 | 0 | 0 | 111.1 | V92 V93 V94 L98 S99 M100 I414 V440 N441 I444 | V92-F96 WeakPolarHBondContact O-CB 3.44Å; V92-F96 PolarHBondContact O-N 3.45Å; V93-F96 WeakPolarHBondContact O-CB 3.33Å; V93-F96 PolarHBondContact O-N 3.13Å; V94-F96 VanDerWaalsContact C-N 3.25Å; V94-F96 PolarHBondContact O-N 3.47Å; F96-L98 VanDerWaalsContact C-N 3.35Å; F96-L98 PolarHBondContact O-N 2.93Å; F96-S99 PolarHBondContact O-N 3.39Å; F96-S99 VanDerWaalsContact O-N 3.17Å; F96-M100 HydrophobicContact CD1-SD 3.85Å; F96-M100 HydrophobicContact CE1-CG 4.34Å; F96-M100 HydrophobicContact CE1-SD 3.44Å; F96-M100 WeakPolarHBondContact CE1-SD 3.43Å; F96-M100 HydrophobicContact CZ-SD 4.11Å; F96-M100 WeakPolarHBondContact O-CG 3.36Å; F96-M100 PolarHBondContact O-N 2.91Å; F96-M100 VanDerWaalsContact O-N 3.11Å; F96-I414 HydrophobicContact CB-CD1 4.14Å; F96-I414 HydrophobicContact CD2-CD1 4.46Å; F96-V440 HydrophobicContact CE2-CG1 4.15Å; F96-V440 HydrophobicContact CZ-CG1 4.08Å; F96-N441 VanDerWaalsContact CD2-OD1 3.28Å; F96-N441 WeakPolarHBondContact CD2-OD1 3.1Å; F96-N441 VanDerWaalsContact CE2-OD1 3.22Å; F96-N441 WeakPolarHBondContact CE2-OD1 3.36Å; F96-N441 PolarHBondContact O-OD1 2.91Å; F96-I444 HydrophobicContact CE1-CD1 4.2Å; F96-I444 HydrophobicContact CZ-CD1 3.73Å |
| 97 | F | 94.4 | Very high | 94.7 | Very high | 30 Ų | 30 | 11.2 Ų | 11.2 | 13% | 0.132 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -57.9 | -45.9 | 176.2 | -62.1 | -30.6 | 0 | 0 | 0 | 112.5 | V93 V94 S99 M100 Y101 F460 A464 L562 S565 | V93-F97 HydrophobicContact CG1-CD2 4.19Å; V93-F97 HydrophobicContact CG1-CE1 4.46Å; V93-F97 HydrophobicContact CG1-CE2 3.51Å; V93-F97 HydrophobicContact CG1-CZ 3.66Å; V93-F97 PolarHBondContact O-N 3.39Å; V94-F97 PolarHBondContact O-N 2.87Å; F97-S99 VanDerWaalsContact C-N 3.35Å; F97-S99 PolarHBondContact O-N 2.75Å; F97-M100 HydrophobicContact CD1-SD 4.45Å; F97-M100 WeakPolarHBondContact O-CB 3.38Å; F97-M100 PolarHBondContact O-N 2.98Å; F97-Y101 WeakPolarHBondContact O-CD1 3Å; F97-Y101 PolarHBondContact O-N 3.09Å; F97-F460 HydrophobicContact CB-CD1 4.32Å; F97-F460 HydrophobicContact CB-CE1 4.5Å; F97-F460 HydrophobicContact CD1-CE1 4.09Å; F97-F460 HydrophobicContact CG-CE1 4.43Å; F97-A464 HydrophobicContact CB-CB 4.05Å; F97-A464 HydrophobicContact CD2-CB 4.27Å; F97-L562 HydrophobicContact CD2-CD1 4.24Å; F97-L562 HydrophobicContact CD2-CG 4.47Å; F97-L562 HydrophobicContact CE2-CD1 4.3Å; F97-L562 HydrophobicContact CE2-CG 4.37Å; F97-L562 HydrophobicContact CG-CD1 4.43Å; F97-S565 WeakPolarHBondContact CE2-OG 3.25Å; F97-S565 VanDerWaalsContact CZ-OG 3.28Å; F97-S565 WeakPolarHBondContact CZ-OG 3.21Å |
| 98 | L | 92.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -58.3 | -45.9 | 175.2 | -88.1 | 147.7 | 0 | 0 | 0 | 112.8 | V94 F96 M100 Y101 Y102 F256 A465 | V94-L98 HydrophobicContact CG1-CD1 3.84Å; V94-L98 PolarHBondContact O-N 3.24Å; F96-L98 VanDerWaalsContact C-N 3.35Å; F96-L98 PolarHBondContact O-N 2.93Å; L98-M100 PolarHBondContact O-N 3.16Å; L98-Y101 HydrophobicContact CB-CE1 4.41Å; L98-Y101 HydrophobicContact CD2-CE1 3.93Å; L98-Y101 WeakPolarHBondContact CD2-OH 3.5Å; L98-Y101 HydrophobicContact CG-CE1 4.01Å; L98-Y101 PolarHBondContact O-N 3.21Å; L98-Y102 HydrophobicContact CD2-CD1 3.81Å; L98-Y102 HydrophobicContact CD2-CE1 3.4Å; L98-Y102 HydrophobicContact CD2-CE2 4.47Å; L98-Y102 VanDerWaalsContact O-CB 3.26Å; L98-Y102 WeakPolarHBondContact O-CB 3.24Å; L98-Y102 PolarHBondContact O-N 2.99Å; L98-F256 HydrophobicContact CD1-CD1 3.54Å; L98-F256 HydrophobicContact CD1-CE1 2.96Å; L98-F256 HydrophobicContact CD1-CE2 4.39Å; L98-F256 HydrophobicContact CD1-CG 4.45Å; L98-F256 HydrophobicContact CD1-CZ 3.44Å; L98-F256 VanDerWaalsContact CD1-CZ 3.44Å; L98-F256 HydrophobicContact CG-CE1 4.41Å; L98-A465 HydrophobicContact CD1-CB 4.1Å |
| 99 | S | 93.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -60.1 | -36 | -179.6 | -61 | 0 | 0 | 0 | 0 | 112.2 | S95 F96 F97 N103 W178 M407 N410 | S95-S99 VanDerWaalsContact O-CB 3.3Å; S95-S99 WeakPolarHBondContact O-CB 3.47Å; S95-S99 PolarHBondContact O-N 2.83Å; S95-S99 PolarHBondContact O-OG 3.37Å; F96-S99 PolarHBondContact O-N 3.39Å; F96-S99 VanDerWaalsContact O-N 3.17Å; F97-S99 VanDerWaalsContact C-N 3.35Å; F97-S99 PolarHBondContact O-N 2.75Å; S99-N103 WeakPolarHBondContact O-CB 3.31Å; S99-N103 PolarHBondContact O-N 3.24Å; S99-W178 VanDerWaalsContact O-CZ2 3.28Å; S99-W178 WeakPolarHBondContact O-CZ2 3.28Å; S99-M407 VanDerWaalsContact CA-CE 3.44Å; S99-M407 VanDerWaalsContact CB-CE 3.47Å; S99-N410 WeakPolarHBondContact OG-CB 3.43Å |
| 100 | M | 91.5 | Very high | 94.9 | Very high | 5 Ų | 5 | 9.4 Ų | 9.4 | 3% | 0.025 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -62.5 | -58.7 | 177.5 | -64.7 | 171.4 | 51.3 | 0 | 0 | 111.8 | F96 F97 L98 N441 I444 F448 F460 | F96-M100 HydrophobicContact CD1-SD 3.85Å; F96-M100 HydrophobicContact CE1-CG 4.34Å; F96-M100 HydrophobicContact CE1-SD 3.44Å; F96-M100 WeakPolarHBondContact CE1-SD 3.43Å; F96-M100 HydrophobicContact CZ-SD 4.11Å; F96-M100 WeakPolarHBondContact O-CG 3.36Å; F96-M100 PolarHBondContact O-N 2.91Å; F96-M100 VanDerWaalsContact O-N 3.11Å; F97-M100 HydrophobicContact CD1-SD 4.45Å; F97-M100 WeakPolarHBondContact O-CB 3.38Å; F97-M100 PolarHBondContact O-N 2.98Å; L98-M100 PolarHBondContact O-N 3.16Å; M100-N441 HydrophobicContact CG-CB 4.37Å; M100-N441 WeakPolarHBondContact CG-OD1 3.37Å; M100-I444 HydrophobicContact CE-CB 3.77Å; M100-I444 HydrophobicContact CE-CG2 3.2Å; M100-I444 HydrophobicContact SD-CB 4.47Å; M100-I444 HydrophobicContact SD-CG2 4.2Å; M100-F448 HydrophobicContact CB-CE2 4Å; M100-F448 HydrophobicContact CE-CE2 3.91Å; M100-F448 HydrophobicContact CE-CZ 4.26Å; M100-F460 HydrophobicContact CE-CE1 4.31Å |
| 101 | Y | 91.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -81 | -31.4 | -172.3 | 78.4 | -95.4 | 0 | 0 | 0 | 113.3 | F97 L98 N103 V104 I105 F457 F460 N461 | F97-Y101 WeakPolarHBondContact O-CD1 3Å; F97-Y101 PolarHBondContact O-N 3.09Å; L98-Y101 HydrophobicContact CB-CE1 4.41Å; L98-Y101 HydrophobicContact CD2-CE1 3.93Å; L98-Y101 WeakPolarHBondContact CD2-OH 3.5Å; L98-Y101 HydrophobicContact CG-CE1 4.01Å; L98-Y101 PolarHBondContact O-N 3.21Å; Y101-N103 PolarHBondContact O-N 3.19Å; Y101-V104 VanDerWaalsContact O-CB 3.31Å; Y101-V104 WeakPolarHBondContact O-CB 3.21Å; Y101-V104 PolarHBondContact O-N 3.45Å; Y101-V104 VanDerWaalsContact O-N 3.12Å; Y101-I105 PolarHBondContact O-N 3.29Å; Y101-F457 HydrophobicContact CD2-CD2 4.2Å; Y101-F457 AromaticContact CD2-CE2 3.66Å; Y101-F457 HydrophobicContact CD2-CE2 3.66Å; Y101-F457 HydrophobicContact CD2-CZ 4Å; Y101-F457 HydrophobicContact CG-CE2 4.34Å; Y101-F457 WeakPolarHBondContact O-CE2 3.21Å; Y101-F460 HydrophobicContact CD1-CB 3.93Å; Y101-F460 HydrophobicContact CE1-CB 4.5Å; Y101-F460 HydrophobicContact CG-CB 4.3Å; Y101-N461 HydrophobicContact CD2-CB 4.33Å; Y101-N461 HydrophobicContact CE2-CB 3.89Å |
| 102 | Y | 92 | Very high | 95 | Very high | 32 Ų | 32 | 11 Ų | 11 | 13% | 0.125 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61.5 | -36.1 | 175.8 | -90.1 | 41.6 | 0 | 0 | 0 | 111.6 | L98 V104 I105 N106 | L98-Y102 HydrophobicContact CD2-CD1 3.81Å; L98-Y102 HydrophobicContact CD2-CE1 3.4Å; L98-Y102 HydrophobicContact CD2-CE2 4.47Å; L98-Y102 VanDerWaalsContact O-CB 3.26Å; L98-Y102 WeakPolarHBondContact O-CB 3.24Å; L98-Y102 PolarHBondContact O-N 2.99Å; Y102-V104 VanDerWaalsContact C-N 3.29Å; Y102-V104 PolarHBondContact O-N 3.36Å; Y102-I105 WeakPolarHBondContact O-CB 3.25Å; Y102-I105 PolarHBondContact O-N 3.06Å; Y102-I105 VanDerWaalsContact O-N 3.12Å; Y102-N106 PolarHBondContact O-N 3.49Å |
| 103 | N | 95.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -75.6 | -19.3 | 179.9 | -149.8 | 41.2 | 0 | 0 | 0 | 113.2 | S99 Y101 I105 N106 A107 W178 M407 | S99-N103 WeakPolarHBondContact O-CB 3.31Å; S99-N103 PolarHBondContact O-N 3.24Å; Y101-N103 PolarHBondContact O-N 3.19Å; N103-I105 PolarHBondContact O-N 3.33Å; N103-N106 WeakPolarHBondContact O-CB 3.3Å; N103-N106 PolarHBondContact O-N 3.05Å; N103-N106 PolarHBondContact OD1-ND2 2.88Å; N103-A107 PolarHBondContact O-N 2.82Å; N103-W178 HydrophobicContact CB-CZ2 3.85Å; N103-W178 PolarHBondContact ND2-N 3.05Å; N103-W178 PolarHBondContact ND2-NE1 3.15Å; N103-M407 HydrophobicContact CB-CG 4.42Å; N103-M407 HydrophobicContact CB-SD 4.3Å |
| 104 | V | 95.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.006 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -63.6 | -35.7 | 167 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | Y101 Y102 N106 A107 W108 L174 F448 F457 | Y101-V104 VanDerWaalsContact O-CB 3.31Å; Y101-V104 WeakPolarHBondContact O-CB 3.21Å; Y101-V104 PolarHBondContact O-N 3.45Å; Y101-V104 VanDerWaalsContact O-N 3.12Å; Y102-V104 VanDerWaalsContact C-N 3.29Å; Y102-V104 PolarHBondContact O-N 3.36Å; V104-N106 VanDerWaalsContact C-N 3.34Å; V104-N106 PolarHBondContact O-N 3.42Å; V104-A107 WeakPolarHBondContact O-CA 3.3Å; V104-A107 WeakPolarHBondContact O-CB 3.2Å; V104-A107 PolarHBondContact O-N 2.99Å; V104-A107 VanDerWaalsContact O-N 3.08Å; V104-W108 HydrophobicContact CG1-CD2 4.12Å; V104-W108 HydrophobicContact CG1-CE3 4.42Å; V104-W108 HydrophobicContact CG1-CH2 3.91Å; V104-W108 HydrophobicContact CG1-CZ2 3.56Å; V104-W108 HydrophobicContact CG1-CZ3 4.3Å; V104-W108 PolarHBondContact O-N 3.47Å; V104-L174 HydrophobicContact CG2-CD1 4.2Å; V104-F448 HydrophobicContact CB-CB 4.4Å; V104-F448 HydrophobicContact CG1-CB 4Å; V104-F448 HydrophobicContact CG2-CB 3.59Å; V104-F448 HydrophobicContact CG2-CD2 3.53Å; V104-F448 HydrophobicContact CG2-CG 3.86Å; V104-F457 HydrophobicContact CB-CD2 4.43Å; V104-F457 HydrophobicContact CG1-CD2 4.46Å |
| 105 | I | 94.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -67.4 | -38.5 | 176.2 | -42.2 | 176.9 | 0 | 0 | 0 | 111.4 | L25 W29 Y101 Y102 N103 A107 W108 A109 F375 F457 | L25-I105 HydrophobicContact CD1-CB 4.2Å; L25-I105 HydrophobicContact CD1-CD1 4.04Å; L25-I105 HydrophobicContact CD1-CG2 4.2Å; W29-I105 HydrophobicContact CH2-CB 4.27Å; W29-I105 HydrophobicContact CH2-CD1 3.54Å; W29-I105 HydrophobicContact CH2-CG1 4.36Å; W29-I105 HydrophobicContact CH2-CG2 3.34Å; W29-I105 HydrophobicContact CZ2-CD1 3.59Å; W29-I105 HydrophobicContact CZ2-CG2 4.43Å; W29-I105 HydrophobicContact CZ3-CG2 3.87Å; Y101-I105 PolarHBondContact O-N 3.29Å; Y102-I105 WeakPolarHBondContact O-CB 3.25Å; Y102-I105 PolarHBondContact O-N 3.06Å; Y102-I105 VanDerWaalsContact O-N 3.12Å; N103-I105 PolarHBondContact O-N 3.33Å; I105-A107 PolarHBondContact O-N 2.99Å; I105-W108 HydrophobicContact CB-CE3 4.33Å; I105-W108 HydrophobicContact CG1-CE3 4.31Å; I105-W108 HydrophobicContact CG1-CZ3 4.23Å; I105-W108 HydrophobicContact CG2-CE3 4.26Å; I105-W108 PolarHBondContact O-N 3.34Å; I105-A109 WeakPolarHBondContact O-CB 3.35Å; I105-A109 PolarHBondContact O-N 3.02Å; I105-F375 HydrophobicContact CG2-CE2 3.85Å; I105-F375 HydrophobicContact CG2-CZ 3.94Å; I105-F457 HydrophobicContact CD1-CE2 3.94Å; I105-F457 HydrophobicContact CD1-CZ 3.65Å; I105-F457 HydrophobicContact CG1-CE2 3.56Å; I105-F457 HydrophobicContact CG1-CZ 3.7Å |
| 106 | N | 95.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.4 | -36.5 | 170.9 | -70 | -30.9 | 0 | 0 | 0 | 111.6 | Y102 N103 V104 A109 F110 A177 L400 G403 | Y102-N106 PolarHBondContact O-N 3.49Å; N103-N106 WeakPolarHBondContact O-CB 3.3Å; N103-N106 PolarHBondContact O-N 3.05Å; N103-N106 PolarHBondContact OD1-ND2 2.88Å; V104-N106 VanDerWaalsContact C-N 3.34Å; V104-N106 PolarHBondContact O-N 3.42Å; N106-A109 WeakPolarHBondContact O-CB 3.35Å; N106-A109 PolarHBondContact O-N 3.11Å; N106-F110 WeakPolarHBondContact O-CD2 3.5Å; N106-F110 PolarHBondContact O-N 3.29Å; N106-A177 HydrophobicContact CB-CB 3.95Å; N106-L400 HydrophobicContact CB-CD1 4.12Å; N106-G403 VanDerWaalsContact OD1-CA 3.22Å; N106-G403 WeakPolarHBondContact OD1-CA 3.42Å |
| 107 | A | 97.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62 | -46.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N103 V104 I105 A109 F110 W111 C173 L174 | N103-A107 PolarHBondContact O-N 2.82Å; V104-A107 WeakPolarHBondContact O-CA 3.3Å; V104-A107 WeakPolarHBondContact O-CB 3.2Å; V104-A107 PolarHBondContact O-N 2.99Å; V104-A107 VanDerWaalsContact O-N 3.08Å; I105-A107 PolarHBondContact O-N 2.99Å; A107-A109 VanDerWaalsContact C-N 3.31Å; A107-A109 PolarHBondContact O-N 3.07Å; A107-F110 PolarHBondContact O-N 3.43Å; A107-W111 PolarHBondContact O-N 3.16Å; A107-C173 HydrophobicContact CB-CB 3.94Å; A107-C173 VanDerWaalsContact O-CB 3.3Å; A107-C173 WeakPolarHBondContact O-CB 3.38Å; A107-L174 HydrophobicContact CB-CB 3.92Å; A107-L174 HydrophobicContact CB-CD1 4.33Å |
| 108 | W | 96.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 1% | 0.011 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63 | -37.3 | 173.4 | -61.6 | -34.9 | 0 | 0 | 0 | 112.1 | V104 I105 F110 W111 Y112 W149 L154 T371 F375 F457 | V104-W108 HydrophobicContact CG1-CD2 4.12Å; V104-W108 HydrophobicContact CG1-CE3 4.42Å; V104-W108 HydrophobicContact CG1-CH2 3.91Å; V104-W108 HydrophobicContact CG1-CZ2 3.56Å; V104-W108 HydrophobicContact CG1-CZ3 4.3Å; V104-W108 PolarHBondContact O-N 3.47Å; I105-W108 HydrophobicContact CB-CE3 4.33Å; I105-W108 HydrophobicContact CG1-CE3 4.31Å; I105-W108 HydrophobicContact CG1-CZ3 4.23Å; I105-W108 HydrophobicContact CG2-CE3 4.26Å; I105-W108 PolarHBondContact O-N 3.34Å; W108-F110 PolarHBondContact O-N 3.32Å; W108-W111 WeakPolarHBondContact O-CB 3.45Å; W108-W111 PolarHBondContact O-N 2.9Å; W108-Y112 WeakPolarHBondContact O-CD2 3.36Å; W108-Y112 PolarHBondContact O-N 3.01Å; W108-W149 HydrophobicContact CB-CZ3 4.3Å; W108-W149 AromaticContact CD2-CH2 3.64Å; W108-W149 HydrophobicContact CD2-CH2 3.64Å; W108-W149 HydrophobicContact CD2-CZ3 4.23Å; W108-W149 AromaticContact CE3-CH2 3.66Å; W108-W149 HydrophobicContact CE3-CH2 3.66Å; W108-W149 HydrophobicContact CG-CH2 4.05Å; W108-W149 HydrophobicContact CG-CZ3 4.15Å; W108-W149 HydrophobicContact CH2-CH2 4.42Å; W108-W149 HydrophobicContact CZ2-CH2 4.4Å; W108-W149 HydrophobicContact CZ3-CH2 4.09Å; W108-L154 HydrophobicContact CZ2-CD2 3.8Å; W108-T371 HydrophobicContact CE3-CG2 4.16Å; W108-T371 HydrophobicContact CH2-CG2 4.27Å; W108-T371 HydrophobicContact CZ3-CG2 3.48Å; W108-T371 VanDerWaalsContact CZ3-CG2 3.48Å; W108-F375 HydrophobicContact CB-CE1 3.8Å; W108-F375 HydrophobicContact CB-CE2 4.13Å; W108-F375 HydrophobicContact CB-CZ 3.52Å; W108-F375 HydrophobicContact CE3-CE2 4.1Å; W108-F457 HydrophobicContact CH2-CB 4.32Å; W108-F457 HydrophobicContact CH2-CD1 4.08Å; W108-F457 AromaticContact CH2-CD2 3.7Å; W108-F457 HydrophobicContact CH2-CD2 3.7Å; W108-F457 HydrophobicContact CH2-CE1 4.36Å; W108-F457 AromaticContact CH2-CE2 3.98Å; W108-F457 HydrophobicContact CH2-CE2 3.98Å; W108-F457 AromaticContact CH2-CG 3.77Å; W108-F457 HydrophobicContact CH2-CG 3.77Å; W108-F457 HydrophobicContact CH2-CZ 4.32Å; W108-F457 HydrophobicContact CZ3-CD1 4.39Å; W108-F457 AromaticContact CZ3-CD2 4Å; W108-F457 HydrophobicContact CZ3-CD2 4Å; W108-F457 HydrophobicContact CZ3-CE1 4.22Å; W108-F457 AromaticContact CZ3-CE2 3.76Å; W108-F457 HydrophobicContact CZ3-CE2 3.76Å; W108-F457 HydrophobicContact CZ3-CG 4.32Å; W108-F457 AromaticContact CZ3-CZ 3.9Å; W108-F457 HydrophobicContact CZ3-CZ 3.9Å |
| 109 | A | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | I105 N106 A107 Y112 L113 L399 L400 | I105-A109 WeakPolarHBondContact O-CB 3.35Å; I105-A109 PolarHBondContact O-N 3.02Å; N106-A109 WeakPolarHBondContact O-CB 3.35Å; N106-A109 PolarHBondContact O-N 3.11Å; A107-A109 VanDerWaalsContact C-N 3.31Å; A107-A109 PolarHBondContact O-N 3.07Å; A109-Y112 PolarHBondContact O-N 3.4Å; A109-L113 VanDerWaalsContact O-CB 3.22Å; A109-L113 WeakPolarHBondContact O-CB 3.29Å; A109-L113 PolarHBondContact O-N 3.47Å; A109-L399 HydrophobicContact CB-CD2 3.81Å; A109-L400 HydrophobicContact CB-CB 4.34Å; A109-L400 HydrophobicContact CB-CD1 4.36Å |
| 110 | F | 97.9 | Very high | 95.2 | Very high | 18 Ų | 18 | 34.2 Ų | 34.2 | 8% | 0.079 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.6 | -46.6 | 173.3 | -84.3 | -61.7 | 0 | 0 | 0 | 111.8 | N106 A107 W108 Y112 L113 F114 C173 L176 A177 V180 L400 | N106-F110 WeakPolarHBondContact O-CD2 3.5Å; N106-F110 PolarHBondContact O-N 3.29Å; A107-F110 PolarHBondContact O-N 3.43Å; W108-F110 PolarHBondContact O-N 3.32Å; F110-Y112 PolarHBondContact O-N 3.45Å; F110-L113 PolarHBondContact O-N 3.41Å; F110-F114 HydrophobicContact CB-CE2 4.04Å; F110-F114 HydrophobicContact CB-CZ 4.29Å; F110-F114 HydrophobicContact CD1-CE1 4.25Å; F110-F114 HydrophobicContact CD1-CE2 4.41Å; F110-F114 AromaticContact CD1-CZ 3.82Å; F110-F114 HydrophobicContact CD1-CZ 3.82Å; F110-F114 HydrophobicContact CG-CZ 4.41Å; F110-F114 VanDerWaalsContact O-CD2 3.23Å; F110-F114 WeakPolarHBondContact O-CD2 3.2Å; F110-F114 VanDerWaalsContact O-CG 3.23Å; F110-F114 WeakPolarHBondContact O-CG 3.25Å; F110-F114 PolarHBondContact O-N 2.99Å; F110-C173 HydrophobicContact CB-CB 4.24Å; F110-L176 HydrophobicContact CD1-CD2 3.88Å; F110-L176 HydrophobicContact CD2-CD2 4.34Å; F110-L176 HydrophobicContact CD2-CG 4.47Å; F110-L176 HydrophobicContact CE1-CD2 3.98Å; F110-L176 HydrophobicContact CE1-CG 4.46Å; F110-L176 HydrophobicContact CE2-CD2 4.44Å; F110-L176 HydrophobicContact CE2-CG 4.27Å; F110-L176 HydrophobicContact CG-CD2 4.08Å; F110-L176 HydrophobicContact CZ-CD2 4.27Å; F110-L176 HydrophobicContact CZ-CG 4.27Å; F110-A177 HydrophobicContact CD2-CB 4.15Å; F110-A177 HydrophobicContact CE2-CB 4.05Å; F110-V180 HydrophobicContact CZ-CG2 4.1Å; F110-L400 HydrophobicContact CD1-CD1 4.45Å; F110-L400 HydrophobicContact CD1-CD2 4.02Å; F110-L400 HydrophobicContact CD2-CD1 3.83Å; F110-L400 HydrophobicContact CE1-CD1 4.14Å; F110-L400 HydrophobicContact CE1-CD2 3.42Å; F110-L400 VanDerWaalsContact CE1-CD2 3.42Å; F110-L400 HydrophobicContact CE1-CG 4.42Å; F110-L400 HydrophobicContact CE2-CD1 3.45Å; F110-L400 VanDerWaalsContact CE2-CD1 3.45Å; F110-L400 HydrophobicContact CE2-CD2 4.27Å; F110-L400 HydrophobicContact CE2-CG 4.47Å; F110-L400 HydrophobicContact CG-CD1 4.3Å; F110-L400 HydrophobicContact CZ-CD1 3.63Å; F110-L400 HydrophobicContact CZ-CD2 3.57Å; F110-L400 HydrophobicContact CZ-CG 4.18Å |
| 111 | W | 97.2 | Very high | 95.4 | Very high | 33 Ų | 33 | 34 Ų | 34 | 13% | 0.125 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54 | -51.2 | 177.6 | 173.4 | -104.5 | 0 | 0 | 0 | 111.8 | A107 W108 F114 H115 F148 T153 E169 | A107-W111 PolarHBondContact O-N 3.16Å; W108-W111 WeakPolarHBondContact O-CB 3.45Å; W108-W111 PolarHBondContact O-N 2.9Å; W111-F114 PolarHBondContact O-N 3.36Å; W111-H115 AromaticContact CD2-CE1 3.68Å; W111-H115 AromaticContact CD2-ND1 3.79Å; W111-H115 AromaticContact CE2-CE1 3.55Å; W111-H115 AromaticContact CE2-ND1 3.78Å; W111-H115 AromaticContact CE3-CE1 3.61Å; W111-H115 AromaticContact CH2-CE1 3.36Å; W111-H115 WeakPolarHBondContact CH2-CE1 3.47Å; W111-H115 AromaticContact CH2-NE2 3.94Å; W111-H115 AromaticContact CZ2-CE1 3.42Å; W111-H115 VanDerWaalsContact CZ2-CE1 3.42Å; W111-H115 WeakPolarHBondContact CZ2-CE1 3.28Å; W111-H115 AromaticContact CZ2-NE2 3.98Å; W111-H115 AromaticContact CZ3-CE1 3.42Å; W111-H115 VanDerWaalsContact CZ3-CE1 3.42Å; W111-H115 WeakPolarHBondContact CZ3-CE1 3.42Å; W111-H115 PolarHBondContact O-N 2.7Å; W111-H115 PolarHBondContact O-ND1 2.92Å; W111-F148 AromaticContact NE1-CE1 3.87Å; W111-F148 AromaticContact NE1-CZ 3.81Å; W111-T153 VanDerWaalsContact CD1-CG2 3.49Å; W111-T153 HydrophobicContact CG-CG2 4.32Å; W111-T153 PolarHBondContact NE1-OG1 3.49Å; W111-T153 VanDerWaalsContact NE1-OG1 3.08Å; W111-E169 HydrophobicContact CE3-CB 4.09Å; W111-E169 HydrophobicContact CH2-CB 3.89Å; W111-E169 HydrophobicContact CH2-CG 4.25Å; W111-E169 HydrophobicContact CZ3-CB 3.38Å; W111-E169 HydrophobicContact CZ3-CG 4.05Å |
| 112 | Y | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.4 | -36.8 | 177.9 | -86.7 | -97.5 | 0 | 0 | 0 | 113 | W108 A109 F110 F114 H115 S116 W123 F148 W149 T153 F375 T379 F396 | W108-Y112 WeakPolarHBondContact O-CD2 3.36Å; W108-Y112 PolarHBondContact O-N 3.01Å; A109-Y112 PolarHBondContact O-N 3.4Å; F110-Y112 PolarHBondContact O-N 3.45Å; Y112-F114 PolarHBondContact O-N 2.89Å; Y112-H115 CarbonylContact O-C 3.54Å; Y112-H115 PolarHBondContact O-N 3.43Å; Y112-S116 PolarHBondContact O-N 3.24Å; Y112-S116 PolarHBondContact O-OG 3.07Å; Y112-W123 AromaticContact CD1-CE3 3.9Å; Y112-W123 HydrophobicContact CD1-CE3 3.9Å; Y112-W123 AromaticContact CD1-CH2 3.73Å; Y112-W123 HydrophobicContact CD1-CH2 3.73Å; Y112-W123 HydrophobicContact CD1-CZ2 4.35Å; Y112-W123 AromaticContact CD1-CZ3 3.47Å; Y112-W123 HydrophobicContact CD1-CZ3 3.47Å; Y112-W123 VanDerWaalsContact CD1-CZ3 3.47Å; Y112-W123 HydrophobicContact CE1-CD2 4.31Å; Y112-W123 AromaticContact CE1-CE3 3.87Å; Y112-W123 HydrophobicContact CE1-CE3 3.87Å; Y112-W123 HydrophobicContact CE1-CH2 4.45Å; Y112-W123 AromaticContact CE1-CZ3 3.94Å; Y112-W123 HydrophobicContact CE1-CZ3 3.94Å; Y112-W123 HydrophobicContact CG-CZ3 4.37Å; Y112-F148 HydrophobicContact CD1-CE1 4.19Å; Y112-F148 AromaticContact CE1-CD1 3.75Å; Y112-F148 HydrophobicContact CE1-CD1 3.75Å; Y112-F148 AromaticContact CE1-CE1 3.65Å; Y112-F148 HydrophobicContact CE1-CE1 3.65Å; Y112-F148 HydrophobicContact CE2-CE1 4.19Å; Y112-F148 AromaticContact CZ-CD1 3.67Å; Y112-F148 AromaticContact CZ-CE1 3.66Å; Y112-F148 WeakPolarHBondContact OH-CD1 3.23Å; Y112-W149 AromaticContact CE2-CE3 3.8Å; Y112-W149 HydrophobicContact CE2-CE3 3.8Å; Y112-W149 AromaticContact CE2-CZ3 3.96Å; Y112-W149 HydrophobicContact CE2-CZ3 3.96Å; Y112-T153 HydrophobicContact CE2-CG2 4.13Å; Y112-F375 HydrophobicContact CD1-CD1 4.48Å; Y112-F375 AromaticContact CD2-CD1 3.47Å; Y112-F375 HydrophobicContact CD2-CD1 3.47Å; Y112-F375 VanDerWaalsContact CD2-CD1 3.47Å; Y112-F375 AromaticContact CD2-CE1 3.79Å; Y112-F375 HydrophobicContact CD2-CE1 3.79Å; Y112-F375 HydrophobicContact CE1-CD1 4.48Å; Y112-F375 HydrophobicContact CE2-CB 4.24Å; Y112-F375 AromaticContact CE2-CD1 3.47Å; Y112-F375 HydrophobicContact CE2-CD1 3.47Å; Y112-F375 VanDerWaalsContact CE2-CD1 3.47Å; Y112-F375 HydrophobicContact CE2-CE1 4.18Å; Y112-F375 HydrophobicContact CE2-CG 4.17Å; Y112-F375 AromaticContact CG-CD1 4Å; Y112-F375 HydrophobicContact CG-CD1 4Å; Y112-F375 HydrophobicContact CG-CE1 4.34Å; Y112-F375 AromaticContact CZ-CD1 4Å; Y112-T379 HydrophobicContact CD1-CG2 4.1Å; Y112-T379 HydrophobicContact CE1-CG2 3.85Å; Y112-F396 VanDerWaalsContact CB-CE1 3.43Å; Y112-F396 VanDerWaalsContact CB-CZ 3.44Å; Y112-F396 AromaticContact CD1-CE1 3.94Å; Y112-F396 HydrophobicContact CD1-CE1 3.94Å; Y112-F396 AromaticContact CD1-CE2 3.64Å; Y112-F396 HydrophobicContact CD1-CE2 3.64Å; Y112-F396 AromaticContact CD1-CZ 3.24Å; Y112-F396 HydrophobicContact CD1-CZ 3.24Å; Y112-F396 HydrophobicContact CD2-CE1 4.38Å; Y112-F396 HydrophobicContact CD2-CZ 4.46Å; Y112-F396 HydrophobicContact CE1-CZ 4.08Å; Y112-F396 HydrophobicContact CG-CD1 4.31Å; Y112-F396 AromaticContact CG-CE1 3.67Å; Y112-F396 HydrophobicContact CG-CE1 3.67Å; Y112-F396 AromaticContact CG-CE2 3.98Å; Y112-F396 HydrophobicContact CG-CE2 3.98Å; Y112-F396 AromaticContact CG-CZ 3.47Å; Y112-F396 HydrophobicContact CG-CZ 3.47Å; Y112-F396 VanDerWaalsContact CG-CZ 3.47Å |
| 113 | L | 97.4 | Very high | 95.8 | Very high | 15 Ų | 15 | 34.6 Ų | 34.6 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.4 | -44.6 | 176.7 | -179.2 | 60.9 | 0 | 0 | 0 | 111.2 | A109 F110 H115 S116 F117 V393 F396 F397 L400 | A109-L113 VanDerWaalsContact O-CB 3.22Å; A109-L113 WeakPolarHBondContact O-CB 3.29Å; A109-L113 PolarHBondContact O-N 3.47Å; F110-L113 PolarHBondContact O-N 3.41Å; L113-H115 VanDerWaalsContact C-N 3.29Å; L113-H115 PolarHBondContact O-N 3.27Å; L113-S116 WeakPolarHBondContact O-CB 3.12Å; L113-S116 PolarHBondContact O-N 3.1Å; L113-S116 VanDerWaalsContact O-N 3.12Å; L113-F117 HydrophobicContact CD1-CE2 4.22Å; L113-F117 HydrophobicContact CD1-CZ 4.45Å; L113-F117 HydrophobicContact CG-CE2 4.3Å; L113-F117 WeakPolarHBondContact O-CD2 3.28Å; L113-F117 VanDerWaalsContact O-CE2 3.26Å; L113-F117 WeakPolarHBondContact O-CE2 3.48Å; L113-V393 HydrophobicContact CD1-CG1 4.15Å; L113-F396 HydrophobicContact CB-CB 4.05Å; L113-F396 HydrophobicContact CD1-CB 4.32Å; L113-F397 HydrophobicContact CD1-CB 4.35Å; L113-F397 HydrophobicContact CD2-CD2 4.24Å; L113-L400 HydrophobicContact CD2-CD2 4.32Å |
| 114 | F | 97.1 | Very high | 95.7 | Very high | 100 Ų | 100 | 36.1 Ų | 36.1 | 44% | 0.439 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.4 | -36.2 | 177.2 | -61.9 | -31.3 | 0 | 0 | 0 | 112.5 | F110 W111 Y112 S116 L176 | F110-F114 HydrophobicContact CB-CE2 4.04Å; F110-F114 HydrophobicContact CB-CZ 4.29Å; F110-F114 HydrophobicContact CD1-CE1 4.25Å; F110-F114 HydrophobicContact CD1-CE2 4.41Å; F110-F114 AromaticContact CD1-CZ 3.82Å; F110-F114 HydrophobicContact CD1-CZ 3.82Å; F110-F114 HydrophobicContact CG-CZ 4.41Å; F110-F114 VanDerWaalsContact O-CD2 3.23Å; F110-F114 WeakPolarHBondContact O-CD2 3.2Å; F110-F114 VanDerWaalsContact O-CG 3.23Å; F110-F114 WeakPolarHBondContact O-CG 3.25Å; F110-F114 PolarHBondContact O-N 2.99Å; W111-F114 PolarHBondContact O-N 3.36Å; Y112-F114 PolarHBondContact O-N 2.89Å; F114-S116 VanDerWaalsContact C-N 3.29Å; F114-S116 PolarHBondContact O-N 3.3Å; F114-L176 HydrophobicContact CE2-CD2 4.03Å; F114-L176 HydrophobicContact CZ-CD2 3.57Å |
| 115 | H | 96.5 | Very high | 95.5 | Very high | 38 Ų | 38 | 40.1 Ų | 40.1 | 18% | 0.176 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -77.2 | -12.4 | 175.8 | -74.9 | 89.5 | 0 | 0 | 0 | 114 | W111 Y112 L113 F117 P122 W123 | W111-H115 AromaticContact CD2-CE1 3.68Å; W111-H115 AromaticContact CD2-ND1 3.79Å; W111-H115 AromaticContact CE2-CE1 3.55Å; W111-H115 AromaticContact CE2-ND1 3.78Å; W111-H115 AromaticContact CE3-CE1 3.61Å; W111-H115 AromaticContact CH2-CE1 3.36Å; W111-H115 WeakPolarHBondContact CH2-CE1 3.47Å; W111-H115 AromaticContact CH2-NE2 3.94Å; W111-H115 AromaticContact CZ2-CE1 3.42Å; W111-H115 VanDerWaalsContact CZ2-CE1 3.42Å; W111-H115 WeakPolarHBondContact CZ2-CE1 3.28Å; W111-H115 AromaticContact CZ2-NE2 3.98Å; W111-H115 AromaticContact CZ3-CE1 3.42Å; W111-H115 VanDerWaalsContact CZ3-CE1 3.42Å; W111-H115 WeakPolarHBondContact CZ3-CE1 3.42Å; W111-H115 PolarHBondContact O-N 2.7Å; W111-H115 PolarHBondContact O-ND1 2.92Å; Y112-H115 CarbonylContact O-C 3.54Å; Y112-H115 PolarHBondContact O-N 3.43Å; L113-H115 VanDerWaalsContact C-N 3.29Å; L113-H115 PolarHBondContact O-N 3.27Å; H115-F117 VanDerWaalsContact C-N 3.27Å; H115-F117 PolarHBondContact O-N 3.32Å; H115-P122 HydrophobicContact CB-CG 4.02Å; H115-P122 WeakPolarHBondContact O-CD 3.44Å; H115-W123 HydrophobicContact CB-CZ3 3.88Å |
| 116 | S | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -14.2 | -179 | -62.3 | 0 | 0 | 0 | 0 | 113.7 | Y112 L113 F114 Q118 S392 | Y112-S116 PolarHBondContact O-N 3.24Å; Y112-S116 PolarHBondContact O-OG 3.07Å; L113-S116 WeakPolarHBondContact O-CB 3.12Å; L113-S116 PolarHBondContact O-N 3.1Å; L113-S116 VanDerWaalsContact O-N 3.12Å; F114-S116 VanDerWaalsContact C-N 3.29Å; F114-S116 PolarHBondContact O-N 3.3Å; S116-Q118 VanDerWaalsContact C-N 3.26Å; S116-Q118 PolarHBondContact O-N 3.26Å; S116-S392 WeakPolarHBondContact CB-OG 3.45Å; S116-S392 PolarHBondContact OG-OG 2.86Å |
| 117 | F | 95.8 | Very high | 95.3 | Very high | 142 Ų | 142 | 43.4 Ų | 43.4 | 62% | 0.623 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 15.4 | -178.6 | -64.5 | -79 | 0 | 0 | 0 | 113.9 | L113 H115 V393 | L113-F117 HydrophobicContact CD1-CE2 4.22Å; L113-F117 HydrophobicContact CD1-CZ 4.45Å; L113-F117 HydrophobicContact CG-CE2 4.3Å; L113-F117 WeakPolarHBondContact O-CD2 3.28Å; L113-F117 VanDerWaalsContact O-CE2 3.26Å; L113-F117 WeakPolarHBondContact O-CE2 3.48Å; H115-F117 VanDerWaalsContact C-N 3.27Å; H115-F117 PolarHBondContact O-N 3.32Å; F117-V393 HydrophobicContact CD1-CG2 4.14Å; F117-V393 HydrophobicContact CE1-CG1 4.27Å; F117-V393 HydrophobicContact CE1-CG2 3.85Å; F117-V393 HydrophobicContact CE2-CG2 4.47Å; F117-V393 HydrophobicContact CZ-CG1 4.12Å; F117-V393 HydrophobicContact CZ-CG2 4.03Å |
| 118 | Q | 93.5 | Very high | 95.1 | Very high | 98 Ų | 98 | 47.9 Ų | 47.9 | 46% | 0.458 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -114.3 | 143 | -177.5 | -59.6 | 178.2 | 13 | 0 | 0 | 111.3 | S116 P120 Q389 | S116-Q118 VanDerWaalsContact C-N 3.26Å; S116-Q118 PolarHBondContact O-N 3.26Å; Q118-P120 CarbonylContact O-C 3.16Å; Q118-Q389 VanDerWaalsContact O-CG 3.24Å; Q118-Q389 WeakPolarHBondContact O-CG 3.22Å; Q118-Q389 PolarHBondContact O-NE2 3.33Å |
| 119 | D | 90.4 | Very high | 94.7 | Very high | 138 Ų | 138 | 50.2 Ų | 50.2 | 74% | 0.738 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -123.9 | 114.1 | 173.1 | -171.9 | 24 | 0 | 0 | 0 | 109.9 | Q389 | D119-Q389 VanDerWaalsContact CB-NE2 3.33Å; D119-Q389 PolarHBondContact OD1-NE2 3.21Å |
| 120 | P | 92.6 | Very high | 94.3 | Very high | 91 Ų | 91 | 53.9 Ų | 53.9 | 59% | 0.591 | 30% | 0.303 | S | S | * | . | S | Bend | cis | -74.6 | 160.4 | 2.6 | 32.3 | -36.7 | 0 | 0 | 0 | 113.9 | Q118 | Q118-P120 CarbonylContact O-C 3.16Š|
| 121 | L | 95.9 | Very high | 94 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | trans | -60.8 | 141.2 | 174.4 | -72.8 | 175.2 | 0 | 0 | 0 | 111.3 | W123 S124 I382 S388 Q389 | L121-W123 VanDerWaalsContact C-N 3.26Å; L121-W123 HydrophobicContact CB-CZ2 4.43Å; L121-W123 HydrophobicContact CD1-CZ2 4Å; L121-W123 HydrophobicContact CD2-CH2 4.26Å; L121-W123 HydrophobicContact CD2-CZ2 3.92Å; L121-W123 HydrophobicContact CG-CZ2 4.36Å; L121-W123 PolarHBondContact O-N 3.36Å; L121-W123 VanDerWaalsContact O-N 3.13Å; L121-S124 WeakPolarHBondContact O-CB 3.19Å; L121-S124 PolarHBondContact O-N 3.38Å; L121-S124 PolarHBondContact O-OG 3.24Å; L121-I382 HydrophobicContact CD1-CG2 4.36Å; L121-S388 VanDerWaalsContact CD1-OG 3.29Å; L121-S388 WeakPolarHBondContact CD1-OG 3.44Å; L121-Q389 HydrophobicContact CD2-CG 4.09Å; L121-Q389 HydrophobicContact CG-CG 4.36Å | ||
| 122 | P | 95.1 | Very high | 93.5 | Very high | 42 Ų | 42 | 65 Ų | 65 | 27% | 0.273 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -24.4 | -174.7 | -30 | 40 | 0 | 0 | 0 | 116 | H115 F148 | H115-P122 HydrophobicContact CB-CG 4.02Å; H115-P122 WeakPolarHBondContact O-CD 3.44Å; P122-F148 HydrophobicContact CB-CD2 4.12Å; P122-F148 HydrophobicContact CB-CE2 3.55Å; P122-F148 HydrophobicContact CB-CZ 4.19Å |
| 123 | W | 95.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 70.8 Ų | 70.8 | 0% | 0.004 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 9.6 | 176.8 | 53.9 | 81 | 0 | 0 | 0 | 113.4 | Y112 H115 L121 S144 T145 F148 T379 S392 F396 | Y112-W123 AromaticContact CD1-CE3 3.9Å; Y112-W123 HydrophobicContact CD1-CE3 3.9Å; Y112-W123 AromaticContact CD1-CH2 3.73Å; Y112-W123 HydrophobicContact CD1-CH2 3.73Å; Y112-W123 HydrophobicContact CD1-CZ2 4.35Å; Y112-W123 AromaticContact CD1-CZ3 3.47Å; Y112-W123 HydrophobicContact CD1-CZ3 3.47Å; Y112-W123 VanDerWaalsContact CD1-CZ3 3.47Å; Y112-W123 HydrophobicContact CE1-CD2 4.31Å; Y112-W123 AromaticContact CE1-CE3 3.87Å; Y112-W123 HydrophobicContact CE1-CE3 3.87Å; Y112-W123 HydrophobicContact CE1-CH2 4.45Å; Y112-W123 AromaticContact CE1-CZ3 3.94Å; Y112-W123 HydrophobicContact CE1-CZ3 3.94Å; Y112-W123 HydrophobicContact CG-CZ3 4.37Å; H115-W123 HydrophobicContact CB-CZ3 3.88Å; L121-W123 VanDerWaalsContact C-N 3.26Å; L121-W123 HydrophobicContact CB-CZ2 4.43Å; L121-W123 HydrophobicContact CD1-CZ2 4Å; L121-W123 HydrophobicContact CD2-CH2 4.26Å; L121-W123 HydrophobicContact CD2-CZ2 3.92Å; L121-W123 HydrophobicContact CG-CZ2 4.36Å; L121-W123 PolarHBondContact O-N 3.36Å; L121-W123 VanDerWaalsContact O-N 3.13Å; W123-S144 WeakPolarHBondContact O-CB 3.36Å; W123-S144 PolarHBondContact O-OG 3.47Å; W123-T145 HydrophobicContact CB-CG2 4.12Å; W123-T145 HydrophobicContact CG-CG2 4.31Å; W123-F148 HydrophobicContact CB-CB 3.68Å; W123-F148 HydrophobicContact CB-CD1 4.11Å; W123-F148 HydrophobicContact CB-CD2 4.29Å; W123-F148 HydrophobicContact CB-CG 3.76Å; W123-F148 AromaticContact CE3-CD1 3.81Å; W123-F148 HydrophobicContact CE3-CD1 3.81Å; W123-F148 AromaticContact CE3-CE1 3.56Å; W123-F148 HydrophobicContact CE3-CE1 3.56Å; W123-F148 HydrophobicContact CE3-CE2 4.36Å; W123-F148 HydrophobicContact CE3-CG 4.32Å; W123-F148 AromaticContact CE3-CZ 3.86Å; W123-F148 HydrophobicContact CE3-CZ 3.86Å; W123-F148 HydrophobicContact CZ3-CE1 4.02Å; W123-F148 HydrophobicContact CZ3-CZ 4.23Å; W123-T379 HydrophobicContact CZ2-CG2 4.48Å; W123-S392 VanDerWaalsContact CZ2-OG 3.24Å; W123-S392 WeakPolarHBondContact CZ2-OG 3.29Å; W123-F396 HydrophobicContact CH2-CE2 4.17Å; W123-F396 HydrophobicContact CZ2-CE2 4.22Å |
| 124 | S | 93.4 | Very high | 92.8 | Very high | 32 Ų | 32 | 71.3 Ų | 71.3 | 22% | 0.224 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -72.7 | -41.5 | -178.6 | 61.4 | 0 | 0 | 0 | 0 | 112.9 | L121 S144 | L121-S124 WeakPolarHBondContact O-CB 3.19Å; L121-S124 PolarHBondContact O-N 3.38Å; L121-S124 PolarHBondContact O-OG 3.24Å; S124-S144 PolarHBondContact O-OG 3.4Å |
| 125 | V | 92 | Very high | 92.5 | Very high | 86 Ų | 86 | 71.8 Ų | 71.8 | 52% | 0.521 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -131.4 | 148.7 | -172.2 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | Y135 | V125-Y135 HydrophobicContact CG1-CE1 4.23Š|
| 126 | C | 92.6 | Very high | 92.3 | Very high | 26 Ų | 26 | 71.7 Ų | 71.7 | 18% | 0.176 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 139.6 | 172.8 | -75.8 | 0 | 0 | 0 | 0 | 111.8 | Y135 C139 | C126-Y135 HydrophobicContact CB-CD1 3.81Å; C126-Y135 HydrophobicContact CB-CG 4.21Å; C126-Y135 WeakPolarHBondContact O-CD1 3.4Å; C126-Y135 WeakPolarHBondContact O-CE1 3.27Å; C126-C139 WeakPolarHBondContact CA-SG 3.29Å; C126-C139 HydrophobicContact CB-CB 3.74Å; C126-C139 WeakPolarHBondContact CB-SG 3.42Å; C126-C139 VanDerWaalsContact SG-C 3.57Å; C126-C139 WeakPolarHBondContact SG-CB 3.49Å; C126-C139 PolarHBondContact SG-O 2.91Å; C126-C139 CovalentContact SG-SG 2.04Å; C126-C139 PolarHBondContact SG-SG 2.93Å |
| 127 | P | 93.6 | Very high | 91.9 | Very high | 46 Ų | 46 | 77.4 Ų | 77.4 | 30% | 0.299 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 158.3 | 173.2 | 30.8 | -34.1 | 0 | 0 | 0 | 111.1 | D136 Y147 | P127-D136 HydrophobicContact CG-CB 4.17Å; P127-D136 PolarHBondContact O-N 2.9Å; P127-Y147 HydrophobicContact CG-CD1 4.3Å; P127-Y147 HydrophobicContact CG-CE1 3.57Å |
| 128 | L | 92.3 | Very high | 91.7 | Very high | 95 Ų | 95 | 71.7 Ų | 71.7 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | B | Isolated β-bridge | trans | -75.8 | 149.1 | 172.2 | -62.8 | 176.1 | 0 | 0 | 0 | 110.8 | H132 G134 Y135 | L128-H132 HydrophobicContact CD1-CB 4.38Å; L128-G134 CarbonylContact C-O 3.56Å; L128-G134 WeakPolarHBondContact CA-O 3.28Å; L128-Y135 HydrophobicContact CD2-CD1 4.15Å; L128-Y135 HydrophobicContact CD2-CE1 4.22Å |
| 129 | N | 89.4 | Confident | 91.6 | Very high | 52 Ų | 52 | 67.1 Ų | 67.1 | 28% | 0.278 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 159.9 | 168.5 | -77.2 | -34.2 | 0 | 0 | 0 | 111.7 | N131 H132 G134 Y135 D136 | N129-N131 PolarHBondContact O-N 2.97Å; N129-H132 WeakPolarHBondContact O-CA 3.36Å; N129-H132 PolarHBondContact O-CD2 3.43Å; N129-H132 VanDerWaalsContact O-CD2 3.25Å; N129-H132 PolarHBondContact O-N 2.98Å; N129-G134 PolarHBondContact N-O 3.41Å; N129-Y135 PolarHBondContact ND2-O 3Å; N129-Y135 PolarHBondContact OD1-O 2.91Å; N129-D136 WeakPolarHBondContact OD1-CA 3.45Å; N129-D136 PolarHBondContact OD1-N 2.97Å |
| 130 | G | 86.8 | Confident | 91.6 | Very high | 76 Ų | 76 | 66.2 Ų | 66.2 | 78% | 0.784 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -25.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 131 | N | 91.8 | Very high | 91.4 | Very high | 140 Ų | 140 | 66.5 Ų | 66.5 | 75% | 0.749 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -1.4 | 176.5 | -65.9 | -5.8 | 0 | 0 | 0 | 113.8 | N129 T133 | N129-N131 PolarHBondContact O-N 2.97Å; N131-T133 HydrophobicContact CB-CG2 4.3Å; N131-T133 PolarHBondContact O-N 3.18Å; N131-T133 VanDerWaalsContact O-N 3.08Å |
| 132 | H | 87.8 | Confident | 91 | Very high | 145 Ų | 145 | 67.3 Ų | 67.3 | 67% | 0.671 | 38% | 0.377 | S | S | * | . | S | Bend | trans | 53.1 | 23.5 | -176.1 | -57.1 | 164.3 | 0 | 0 | 0 | 115.2 | L128 N129 | L128-H132 HydrophobicContact CD1-CB 4.38Å; N129-H132 WeakPolarHBondContact O-CA 3.36Å; N129-H132 PolarHBondContact O-CD2 3.43Å; N129-H132 VanDerWaalsContact O-CD2 3.25Å; N129-H132 PolarHBondContact O-N 2.98Å |
| 133 | T | 90 | Very high | 90.8 | Very high | 122 Ų | 122 | 66.4 Ų | 66.4 | 75% | 0.748 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -93.8 | -16.8 | -179.5 | 50.4 | 0 | 0 | 0 | 0 | 114 | N131 | N131-T133 HydrophobicContact CB-CG2 4.3Å; N131-T133 PolarHBondContact O-N 3.18Å; N131-T133 VanDerWaalsContact O-N 3.08Å |
| 134 | G | 89.1 | Confident | 90.7 | Very high | 26 Ų | 26 | 66.9 Ų | 66.9 | 27% | 0.268 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -167.8 | -178.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L128 N129 | L128-G134 CarbonylContact C-O 3.56Å; L128-G134 WeakPolarHBondContact CA-O 3.28Å; N129-G134 PolarHBondContact N-O 3.41Å |
| 135 | Y | 90.8 | Very high | 90.7 | Very high | 109 Ų | 109 | 65.3 Ų | 65.3 | 43% | 0.427 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -79.3 | 156.2 | 177 | -65.3 | -66.1 | 0 | 0 | 0 | 112.3 | V125 C126 L128 N129 E137 E140 | V125-Y135 HydrophobicContact CG1-CE1 4.23Å; C126-Y135 HydrophobicContact CB-CD1 3.81Å; C126-Y135 HydrophobicContact CB-CG 4.21Å; C126-Y135 WeakPolarHBondContact O-CD1 3.4Å; C126-Y135 WeakPolarHBondContact O-CE1 3.27Å; L128-Y135 HydrophobicContact CD2-CD1 4.15Å; L128-Y135 HydrophobicContact CD2-CE1 4.22Å; N129-Y135 PolarHBondContact ND2-O 3Å; N129-Y135 PolarHBondContact OD1-O 2.91Å; Y135-E137 PolarHBondContact O-N 3.34Å; Y135-E140 HydrophobicContact CG-CG 4.44Å |
| 136 | D | 91.8 | Very high | 90.7 | Very high | 36 Ų | 36 | 64.1 Ų | 64.1 | 19% | 0.193 | 35% | 0.354 | C | S | . | . | trans | -53.5 | 121.4 | 171.1 | -165.8 | -61.2 | 0 | 0 | 0 | 111.9 | P127 N129 E138 C139 E140 Y147 | P127-D136 HydrophobicContact CG-CB 4.17Å; P127-D136 PolarHBondContact O-N 2.9Å; N129-D136 WeakPolarHBondContact OD1-CA 3.45Å; N129-D136 PolarHBondContact OD1-N 2.97Å; D136-E138 VanDerWaalsContact C-N 3.26Å; D136-E138 PolarHBondContact O-N 2.99Å; D136-E138 VanDerWaalsContact OD1-CB 3.31Å; D136-E138 WeakPolarHBondContact OD1-CB 3.38Å; D136-E138 PolarHBondContact OD1-N 2.85Å; D136-C139 HydrophobicContact CB-CB 3.95Å; D136-C139 WeakPolarHBondContact O-CA 3.33Å; D136-C139 WeakPolarHBondContact O-CB 3.24Å; D136-C139 PolarHBondContact O-N 3.02Å; D136-E140 PolarHBondContact O-N 3.16Å; D136-Y147 HydrophobicContact CB-CE2 4.34Å; D136-Y147 PolarHBondContact OD2-OH 2.88Å | ||
| 137 | E | 90.6 | Very high | 90.8 | Very high | 120 Ų | 120 | 63.8 Ų | 63.8 | 56% | 0.561 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.6 | -35.5 | -175.8 | -170.1 | -174.2 | 165 | 0 | 0 | 111.7 | Y135 C139 K141 | Y135-E137 PolarHBondContact O-N 3.34Å; E137-C139 VanDerWaalsContact C-N 3.32Å; E137-K141 HydrophobicContact CG-CD 4.45Å; E137-K141 WeakPolarHBondContact O-CG 3.43Å; E137-K141 PolarHBondContact O-N 3.45Å; E137-K141 VanDerWaalsContact OE1-CE 3.24Å; E137-K141 WeakPolarHBondContact OE1-CE 3.28Å; E137-K141 IonicContact OE1-NZ 3.72Å; E137-K141 PolarHBondContact OE1-NZ 3.02Å |
| 138 | E | 91.3 | Very high | 90.9 | Very high | 22 Ų | 22 | 62.1 Ų | 62.1 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 175.1 | -177.8 | 179.2 | -167.8 | 0 | 0 | 110.2 | D136 A142 Y147 R151 W539 A541 | D136-E138 VanDerWaalsContact C-N 3.26Å; D136-E138 PolarHBondContact O-N 2.99Å; D136-E138 VanDerWaalsContact OD1-CB 3.31Å; D136-E138 WeakPolarHBondContact OD1-CB 3.38Å; D136-E138 PolarHBondContact OD1-N 2.85Å; E138-A142 VanDerWaalsContact O-CB 3.3Å; E138-A142 WeakPolarHBondContact O-CB 3.44Å; E138-A142 PolarHBondContact O-N 3.12Å; E138-A142 VanDerWaalsContact O-N 3.15Å; E138-Y147 HydrophobicContact CB-CD2 4.19Å; E138-Y147 HydrophobicContact CB-CE2 4.15Å; E138-Y147 HydrophobicContact CG-CD2 4.05Å; E138-Y147 HydrophobicContact CG-CE2 4.33Å; E138-R151 IonicContact OE1-CZ 2.79Å; E138-R151 IonicContact OE1-NE 3.18Å; E138-R151 PolarHBondContact OE1-NE 3.09Å; E138-R151 IonicContact OE1-NH2 2.65Å; E138-R151 PolarHBondContact OE1-NH2 2.76Å; E138-R151 IonicContact OE2-CZ 3.45Å; E138-R151 IonicContact OE2-NE 2.85Å; E138-R151 PolarHBondContact OE2-NE 3.04Å; E138-R151 IonicContact OE2-NH2 2.71Å; E138-R151 PolarHBondContact OE2-NH2 2.85Å; E138-W539 PolarHBondContact OE1-NE1 2.87Å; E138-A541 HydrophobicContact CG-CB 4.39Å; E138-A541 WeakPolarHBondContact OE1-CB 3.38Å |
| 139 | C | 92.1 | Very high | 91 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.8 | -38.2 | 179.5 | -165.8 | 0 | 0 | 0 | 0 | 113.1 | C126 D136 E137 A142 Y147 | C126-C139 WeakPolarHBondContact CA-SG 3.29Å; C126-C139 HydrophobicContact CB-CB 3.74Å; C126-C139 WeakPolarHBondContact CB-SG 3.42Å; C126-C139 VanDerWaalsContact SG-C 3.57Å; C126-C139 WeakPolarHBondContact SG-CB 3.49Å; C126-C139 PolarHBondContact SG-O 2.91Å; C126-C139 CovalentContact SG-SG 2.04Å; C126-C139 PolarHBondContact SG-SG 2.93Å; D136-C139 HydrophobicContact CB-CB 3.95Å; D136-C139 WeakPolarHBondContact O-CA 3.33Å; D136-C139 WeakPolarHBondContact O-CB 3.24Å; D136-C139 PolarHBondContact O-N 3.02Å; E137-C139 VanDerWaalsContact C-N 3.32Å; C139-A142 CarbonylContact O-C 3.47Å; C139-Y147 HydrophobicContact CB-CD1 4.38Å; C139-Y147 HydrophobicContact CB-CD2 3.63Å; C139-Y147 HydrophobicContact CB-CE2 4.15Å; C139-Y147 HydrophobicContact CB-CG 3.75Å |
| 140 | E | 89.2 | Confident | 91.2 | Very high | 120 Ų | 120 | 55.9 Ų | 55.9 | 56% | 0.561 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -68.6 | -37.3 | 178.4 | -72.3 | -164.4 | 119.4 | 0 | 0 | 112.9 | Y135 D136 | Y135-E140 HydrophobicContact CG-CG 4.44Å; D136-E140 PolarHBondContact O-N 3.16Å |
| 141 | K | 88 | Confident | 91.6 | Very high | 96 Ų | 96 | 55.3 Ų | 55.3 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -71.4 | -38.7 | 176.4 | -72.6 | 175.9 | -176.2 | 165.7 | 0 | 112.4 | E137 S542 | E137-K141 HydrophobicContact CG-CD 4.45Å; E137-K141 WeakPolarHBondContact O-CG 3.43Å; E137-K141 PolarHBondContact O-N 3.45Å; E137-K141 VanDerWaalsContact OE1-CE 3.24Å; E137-K141 WeakPolarHBondContact OE1-CE 3.28Å; E137-K141 IonicContact OE1-NZ 3.72Å; E137-K141 PolarHBondContact OE1-NZ 3.02Å; K141-S542 VanDerWaalsContact CD-O 3.31Å; K141-S542 WeakPolarHBondContact CD-O 3.32Å; K141-S542 PolarHBondContact NZ-O 3.06Å |
| 142 | A | 88.3 | Confident | 91.6 | Very high | 19 Ų | 19 | 54.2 Ų | 54.2 | 16% | 0.157 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -86.9 | -131.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | E138 C139 Q146 W539 G544 | E138-A142 VanDerWaalsContact O-CB 3.3Å; E138-A142 WeakPolarHBondContact O-CB 3.44Å; E138-A142 PolarHBondContact O-N 3.12Å; E138-A142 VanDerWaalsContact O-N 3.15Å; C139-A142 CarbonylContact O-C 3.47Å; A142-Q146 HydrophobicContact CB-CB 4.18Å; A142-W539 HydrophobicContact CB-CH2 3.81Å; A142-W539 HydrophobicContact CB-CZ2 4.12Å; A142-G544 WeakPolarHBondContact CB-O 3.38Å |
| 143 | S | 90.3 | Very high | 92 | Very high | 24 Ų | 24 | 47.4 Ų | 47.4 | 17% | 0.168 | 23% | 0.234 | C | C | . | . | trans | -139.1 | 160.2 | 167.8 | 75.6 | 0 | 0 | 0 | 0 | 109.5 | T145 Q146 Y147 | S143-T145 PolarHBondContact O-N 3.4Å; S143-T145 VanDerWaalsContact O-N 3.13Å; S143-T145 PolarHBondContact OG-OG1 3.5Å; S143-Q146 PolarHBondContact O-N 3.03Å; S143-Q146 VanDerWaalsContact O-N 3.16Å; S143-Q146 WeakPolarHBondContact OG-CB 3.23Å; S143-Q146 WeakPolarHBondContact OG-CG 3.45Å; S143-Q146 PolarHBondContact OG-N 2.95Å; S143-Q146 VanDerWaalsContact OG-N 3.14Å; S143-Y147 WeakPolarHBondContact O-CB 3.22Å; S143-Y147 PolarHBondContact O-N 2.98Å | ||
| 144 | S | 93.3 | Very high | 92.1 | Very high | 10 Ų | 10 | 42.1 Ų | 42.1 | 7% | 0.07 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.1 | -32 | 177.4 | 68.5 | 0 | 0 | 0 | 0 | 113.3 | W123 S124 F148 K383 | W123-S144 WeakPolarHBondContact O-CB 3.36Å; W123-S144 PolarHBondContact O-OG 3.47Å; S124-S144 PolarHBondContact O-OG 3.4Å; S144-F148 WeakPolarHBondContact O-CB 3.48Å; S144-F148 PolarHBondContact O-N 3.42Å; S144-K383 PolarHBondContact OG-NZ 3.45Å |
| 145 | T | 93.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -78.7 | -41.4 | 178.2 | 50.6 | 0 | 0 | 0 | 0 | 112.2 | W123 S143 F148 W149 E380 K383 | W123-T145 HydrophobicContact CB-CG2 4.12Å; W123-T145 HydrophobicContact CG-CG2 4.31Å; S143-T145 PolarHBondContact O-N 3.4Å; S143-T145 VanDerWaalsContact O-N 3.13Å; S143-T145 PolarHBondContact OG-OG1 3.5Å; T145-F148 PolarHBondContact O-N 2.89Å; T145-W149 PolarHBondContact O-N 3.3Å; T145-E380 HydrophobicContact CG2-CB 4.01Å; T145-K383 HydrophobicContact CG2-CD 4.22Å |
| 146 | Q | 92.3 | Very high | 92.5 | Very high | 61 Ų | 61 | 38.1 Ų | 38.1 | 29% | 0.285 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.9 | -43.9 | 173.3 | -74.8 | 178.7 | -33.4 | 0 | 0 | 111.3 | A142 S143 F148 W149 Y150 I376 W539 | A142-Q146 HydrophobicContact CB-CB 4.18Å; S143-Q146 PolarHBondContact O-N 3.03Å; S143-Q146 VanDerWaalsContact O-N 3.16Å; S143-Q146 WeakPolarHBondContact OG-CB 3.23Å; S143-Q146 WeakPolarHBondContact OG-CG 3.45Å; S143-Q146 PolarHBondContact OG-N 2.95Å; S143-Q146 VanDerWaalsContact OG-N 3.14Å; Q146-F148 PolarHBondContact O-N 2.93Å; Q146-W149 PolarHBondContact O-N 3.34Å; Q146-Y150 HydrophobicContact CB-CD2 4.41Å; Q146-Y150 WeakPolarHBondContact O-CD2 3.19Å; Q146-Y150 PolarHBondContact O-N 3.05Å; Q146-I376 HydrophobicContact CG-CD1 4.31Å; Q146-I376 HydrophobicContact CG-CG2 3.59Å; Q146-W539 HydrophobicContact CB-CH2 4.24Å |
| 147 | Y | 94.4 | Very high | 92.6 | Very high | 18 Ų | 18 | 36.6 Ų | 36.6 | 7% | 0.071 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.1 | -44.5 | 175.5 | -178.9 | -87.9 | 0 | 0 | 0 | 111.3 | P127 D136 E138 C139 S143 W149 R151 K152 | P127-Y147 HydrophobicContact CG-CD1 4.3Å; P127-Y147 HydrophobicContact CG-CE1 3.57Å; D136-Y147 HydrophobicContact CB-CE2 4.34Å; D136-Y147 PolarHBondContact OD2-OH 2.88Å; E138-Y147 HydrophobicContact CB-CD2 4.19Å; E138-Y147 HydrophobicContact CB-CE2 4.15Å; E138-Y147 HydrophobicContact CG-CD2 4.05Å; E138-Y147 HydrophobicContact CG-CE2 4.33Å; C139-Y147 HydrophobicContact CB-CD1 4.38Å; C139-Y147 HydrophobicContact CB-CD2 3.63Å; C139-Y147 HydrophobicContact CB-CE2 4.15Å; C139-Y147 HydrophobicContact CB-CG 3.75Å; S143-Y147 WeakPolarHBondContact O-CB 3.22Å; S143-Y147 PolarHBondContact O-N 2.98Å; Y147-W149 VanDerWaalsContact C-N 3.29Å; Y147-W149 PolarHBondContact O-N 2.96Å; Y147-R151 HydrophobicContact CD1-CB 4.44Å; Y147-R151 HydrophobicContact CD2-CB 4.11Å; Y147-R151 HydrophobicContact CE1-CB 4.3Å; Y147-R151 HydrophobicContact CE1-CG 4.35Å; Y147-R151 HydrophobicContact CE2-CB 4Å; Y147-R151 HydrophobicContact CE2-CG 3.92Å; Y147-R151 HydrophobicContact CG-CB 4.35Å; Y147-R151 WeakPolarHBondContact O-CA 3.33Å; Y147-R151 VanDerWaalsContact O-CB 3.28Å; Y147-R151 WeakPolarHBondContact O-CB 3.43Å; Y147-R151 PolarHBondContact O-N 3.21Å; Y147-K152 HydrophobicContact CD1-CG 4.36Å; Y147-K152 HydrophobicContact CE1-CD 4.49Å; Y147-K152 HydrophobicContact CE1-CG 4.03Å; Y147-K152 PolarHBondContact O-N 3.34Å |
| 148 | F | 95.5 | Very high | 92.7 | Very high | 11 Ų | 11 | 34 Ų | 34 | 5% | 0.048 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -61.9 | -37.3 | 176.4 | -173 | -93.2 | 0 | 0 | 0 | 112.4 | W111 Y112 P122 W123 S144 T145 Q146 K152 T153 | W111-F148 AromaticContact NE1-CE1 3.87Å; W111-F148 AromaticContact NE1-CZ 3.81Å; Y112-F148 HydrophobicContact CD1-CE1 4.19Å; Y112-F148 AromaticContact CE1-CD1 3.75Å; Y112-F148 HydrophobicContact CE1-CD1 3.75Å; Y112-F148 AromaticContact CE1-CE1 3.65Å; Y112-F148 HydrophobicContact CE1-CE1 3.65Å; Y112-F148 HydrophobicContact CE2-CE1 4.19Å; Y112-F148 AromaticContact CZ-CD1 3.67Å; Y112-F148 AromaticContact CZ-CE1 3.66Å; Y112-F148 WeakPolarHBondContact OH-CD1 3.23Å; P122-F148 HydrophobicContact CB-CD2 4.12Å; P122-F148 HydrophobicContact CB-CE2 3.55Å; P122-F148 HydrophobicContact CB-CZ 4.19Å; W123-F148 HydrophobicContact CB-CB 3.68Å; W123-F148 HydrophobicContact CB-CD1 4.11Å; W123-F148 HydrophobicContact CB-CD2 4.29Å; W123-F148 HydrophobicContact CB-CG 3.76Å; W123-F148 AromaticContact CE3-CD1 3.81Å; W123-F148 HydrophobicContact CE3-CD1 3.81Å; W123-F148 AromaticContact CE3-CE1 3.56Å; W123-F148 HydrophobicContact CE3-CE1 3.56Å; W123-F148 HydrophobicContact CE3-CE2 4.36Å; W123-F148 HydrophobicContact CE3-CG 4.32Å; W123-F148 AromaticContact CE3-CZ 3.86Å; W123-F148 HydrophobicContact CE3-CZ 3.86Å; W123-F148 HydrophobicContact CZ3-CE1 4.02Å; W123-F148 HydrophobicContact CZ3-CZ 4.23Å; S144-F148 WeakPolarHBondContact O-CB 3.48Å; S144-F148 PolarHBondContact O-N 3.42Å; T145-F148 PolarHBondContact O-N 2.89Å; Q146-F148 PolarHBondContact O-N 2.93Å; F148-K152 HydrophobicContact CD2-CB 3.89Å; F148-K152 HydrophobicContact CD2-CG 4.22Å; F148-K152 HydrophobicContact CE2-CB 4.18Å; F148-K152 HydrophobicContact CG-CB 4.37Å; F148-K152 CarbonylContact O-C 3.59Å; F148-K152 WeakPolarHBondContact O-CB 3.29Å; F148-K152 PolarHBondContact O-N 3.46Å; F148-T153 WeakPolarHBondContact CE1-OG1 3.47Å; F148-T153 WeakPolarHBondContact O-CB 3.49Å; F148-T153 PolarHBondContact O-N 3.45Å; F148-T153 PolarHBondContact O-OG1 3.01Å |
| 149 | W | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -69.4 | -61 | 175.1 | 178.1 | -108.9 | 0 | 0 | 0 | 112.4 | W108 Y112 T145 Q146 Y147 T153 L154 T371 F375 I376 | W108-W149 HydrophobicContact CB-CZ3 4.3Å; W108-W149 AromaticContact CD2-CH2 3.64Å; W108-W149 HydrophobicContact CD2-CH2 3.64Å; W108-W149 HydrophobicContact CD2-CZ3 4.23Å; W108-W149 AromaticContact CE3-CH2 3.66Å; W108-W149 HydrophobicContact CE3-CH2 3.66Å; W108-W149 HydrophobicContact CG-CH2 4.05Å; W108-W149 HydrophobicContact CG-CZ3 4.15Å; W108-W149 HydrophobicContact CH2-CH2 4.42Å; W108-W149 HydrophobicContact CZ2-CH2 4.4Å; W108-W149 HydrophobicContact CZ3-CH2 4.09Å; Y112-W149 AromaticContact CE2-CE3 3.8Å; Y112-W149 HydrophobicContact CE2-CE3 3.8Å; Y112-W149 AromaticContact CE2-CZ3 3.96Å; Y112-W149 HydrophobicContact CE2-CZ3 3.96Å; T145-W149 PolarHBondContact O-N 3.3Å; Q146-W149 PolarHBondContact O-N 3.34Å; Y147-W149 VanDerWaalsContact C-N 3.29Å; Y147-W149 PolarHBondContact O-N 2.96Å; W149-T153 HydrophobicContact CE3-CG2 4.11Å; W149-T153 HydrophobicContact CZ3-CG2 4.14Å; W149-T153 WeakPolarHBondContact O-CB 3.44Å; W149-T153 PolarHBondContact O-N 2.99Å; W149-L154 HydrophobicContact CD2-CD1 4.13Å; W149-L154 HydrophobicContact CD2-CG 4.38Å; W149-L154 HydrophobicContact CG-CD1 4.43Å; W149-L154 HydrophobicContact CH2-CD2 4.41Å; W149-L154 HydrophobicContact CZ2-CD1 3.8Å; W149-L154 HydrophobicContact CZ2-CD2 4.32Å; W149-L154 HydrophobicContact CZ2-CG 4.3Å; W149-L154 WeakPolarHBondContact O-CG 3.24Å; W149-L154 PolarHBondContact O-N 2.73Å; W149-T371 HydrophobicContact CZ2-CG2 4.31Å; W149-F375 HydrophobicContact CD2-CB 4.13Å; W149-F375 HydrophobicContact CE3-CB 3.56Å; W149-F375 HydrophobicContact CE3-CD1 4.49Å; W149-F375 HydrophobicContact CE3-CD2 4.41Å; W149-F375 AromaticContact CE3-CG 3.93Å; W149-F375 HydrophobicContact CE3-CG 3.93Å; W149-F375 HydrophobicContact CH2-CB 4.25Å; W149-F375 AromaticContact CH2-CD2 3.6Å; W149-F375 HydrophobicContact CH2-CD2 3.6Å; W149-F375 HydrophobicContact CH2-CE2 4.12Å; W149-F375 AromaticContact CH2-CG 3.95Å; W149-F375 HydrophobicContact CH2-CG 3.95Å; W149-F375 HydrophobicContact CZ2-CD2 4.42Å; W149-F375 HydrophobicContact CZ3-CB 3.62Å; W149-F375 AromaticContact CZ3-CD1 3.94Å; W149-F375 HydrophobicContact CZ3-CD1 3.94Å; W149-F375 AromaticContact CZ3-CD2 3.6Å; W149-F375 HydrophobicContact CZ3-CD2 3.6Å; W149-F375 HydrophobicContact CZ3-CE2 4.24Å; W149-F375 AromaticContact CZ3-CG 3.44Å; W149-F375 HydrophobicContact CZ3-CG 3.44Å; W149-F375 VanDerWaalsContact CZ3-CG 3.44Å; W149-I376 HydrophobicContact CB-CD1 4.34Å; W149-I376 HydrophobicContact CB-CG1 4.01Å; W149-I376 HydrophobicContact CG-CD1 4.12Å; W149-I376 HydrophobicContact CG-CG1 4.04Å |
| 150 | Y | 94.3 | Very high | 92.5 | Very high | 16 Ų | 16 | 33.2 Ų | 33.2 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -73.8 | -37.6 | -171.5 | -70.8 | -66 | 0 | 0 | 0 | 113.5 | Q146 L154 N155 I156 I376 W539 L546 | Q146-Y150 HydrophobicContact CB-CD2 4.41Å; Q146-Y150 WeakPolarHBondContact O-CD2 3.19Å; Q146-Y150 PolarHBondContact O-N 3.05Å; Y150-L154 HydrophobicContact CD1-CD1 4.3Å; Y150-N155 CarbonylContact O-C 3.2Å; Y150-N155 WeakPolarHBondContact O-CA 3.49Å; Y150-N155 PolarHBondContact O-N 2.67Å; Y150-N155 VanDerWaalsContact O-N 3.08Å; Y150-I156 HydrophobicContact CD1-CB 4.44Å; Y150-I156 HydrophobicContact CD1-CD1 3.89Å; Y150-I156 HydrophobicContact CD1-CG2 3.93Å; Y150-I156 HydrophobicContact CE1-CD1 4.14Å; Y150-I156 HydrophobicContact CG-CG2 4.36Å; Y150-I156 PolarHBondContact O-N 3.43Å; Y150-I376 HydrophobicContact CE2-CD1 4.02Å; Y150-W539 HydrophobicContact CD1-CB 4.16Å; Y150-W539 HydrophobicContact CD1-CD2 4.11Å; Y150-W539 HydrophobicContact CD1-CE3 4.19Å; Y150-W539 HydrophobicContact CD1-CG 4.11Å; Y150-W539 AromaticContact CD2-CD2 3.68Å; Y150-W539 HydrophobicContact CD2-CD2 3.68Å; Y150-W539 AromaticContact CD2-CE2 3.98Å; Y150-W539 AromaticContact CD2-CE3 3.36Å; Y150-W539 HydrophobicContact CD2-CE3 3.36Å; Y150-W539 HydrophobicContact CD2-CG 4.48Å; Y150-W539 AromaticContact CD2-CH2 3.72Å; Y150-W539 HydrophobicContact CD2-CH2 3.72Å; Y150-W539 HydrophobicContact CD2-CZ2 4.01Å; Y150-W539 AromaticContact CD2-CZ3 3.39Å; Y150-W539 HydrophobicContact CD2-CZ3 3.39Å; Y150-W539 HydrophobicContact CE1-CB 4.5Å; Y150-W539 HydrophobicContact CE1-CE3 4.26Å; Y150-W539 HydrophobicContact CE2-CD2 4.21Å; Y150-W539 AromaticContact CE2-CE3 3.46Å; Y150-W539 HydrophobicContact CE2-CE3 3.46Å; Y150-W539 VanDerWaalsContact CE2-CE3 3.46Å; Y150-W539 HydrophobicContact CE2-CH2 4.17Å; Y150-W539 AromaticContact CE2-CZ3 3.44Å; Y150-W539 HydrophobicContact CE2-CZ3 3.44Å; Y150-W539 VanDerWaalsContact CE2-CZ3 3.44Å; Y150-W539 AromaticContact CG-CD2 3.63Å; Y150-W539 HydrophobicContact CG-CD2 3.63Å; Y150-W539 AromaticContact CG-CE2 3.99Å; Y150-W539 AromaticContact CG-CE3 3.77Å; Y150-W539 HydrophobicContact CG-CE3 3.77Å; Y150-W539 AromaticContact CG-CG 3.98Å; Y150-W539 HydrophobicContact CG-CG 3.98Å; Y150-W539 HydrophobicContact CG-CZ2 4.43Å; Y150-W539 HydrophobicContact CG-CZ3 4.23Å; Y150-W539 AromaticContact CZ-CE3 3.92Å; Y150-L546 HydrophobicContact CE1-CD2 4.14Å; Y150-L546 WeakPolarHBondContact OH-CD1 3.3Å |
| 151 | R | 93.3 | Very high | 92.4 | Very high | 65 Ų | 65 | 33.9 Ų | 33.9 | 25% | 0.245 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -97 | -45.2 | -175.7 | -169.9 | 59.2 | 60.4 | -154.3 | -4.4 | 113.3 | E138 Y147 N155 | E138-R151 IonicContact OE1-CZ 2.79Å; E138-R151 IonicContact OE1-NE 3.18Å; E138-R151 PolarHBondContact OE1-NE 3.09Å; E138-R151 IonicContact OE1-NH2 2.65Å; E138-R151 PolarHBondContact OE1-NH2 2.76Å; E138-R151 IonicContact OE2-CZ 3.45Å; E138-R151 IonicContact OE2-NE 2.85Å; E138-R151 PolarHBondContact OE2-NE 3.04Å; E138-R151 IonicContact OE2-NH2 2.71Å; E138-R151 PolarHBondContact OE2-NH2 2.85Å; Y147-R151 HydrophobicContact CD1-CB 4.44Å; Y147-R151 HydrophobicContact CD2-CB 4.11Å; Y147-R151 HydrophobicContact CE1-CB 4.3Å; Y147-R151 HydrophobicContact CE1-CG 4.35Å; Y147-R151 HydrophobicContact CE2-CB 4Å; Y147-R151 HydrophobicContact CE2-CG 3.92Å; Y147-R151 HydrophobicContact CG-CB 4.35Å; Y147-R151 WeakPolarHBondContact O-CA 3.33Å; Y147-R151 VanDerWaalsContact O-CB 3.28Å; Y147-R151 WeakPolarHBondContact O-CB 3.43Å; Y147-R151 PolarHBondContact O-N 3.21Å; R151-N155 WeakPolarHBondContact O-CA 2.95Å; R151-N155 PolarHBondContact O-N 3.13Å |
| 152 | K | 93.5 | Very high | 92.4 | Very high | 116 Ų | 116 | 34.3 Ų | 34.3 | 50% | 0.504 | 17% | 0.17 | S | C | . | . | I | π-helix | trans | -87.7 | -36.1 | -175.6 | -64 | -66.8 | -177.3 | -178 | 0 | 114.3 | Y147 F148 | Y147-K152 HydrophobicContact CD1-CG 4.36Å; Y147-K152 HydrophobicContact CE1-CD 4.49Å; Y147-K152 HydrophobicContact CE1-CG 4.03Å; Y147-K152 PolarHBondContact O-N 3.34Å; F148-K152 HydrophobicContact CD2-CB 3.89Å; F148-K152 HydrophobicContact CD2-CG 4.22Å; F148-K152 HydrophobicContact CE2-CB 4.18Å; F148-K152 HydrophobicContact CG-CB 4.37Å; F148-K152 CarbonylContact O-C 3.59Å; F148-K152 WeakPolarHBondContact O-CB 3.29Å; F148-K152 PolarHBondContact O-N 3.46Å |
| 153 | T | 94.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -89.3 | -50.9 | -177.5 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | W111 Y112 F148 W149 P170 | W111-T153 VanDerWaalsContact CD1-CG2 3.49Å; W111-T153 HydrophobicContact CG-CG2 4.32Å; W111-T153 PolarHBondContact NE1-OG1 3.49Å; W111-T153 VanDerWaalsContact NE1-OG1 3.08Å; Y112-T153 HydrophobicContact CE2-CG2 4.13Å; F148-T153 WeakPolarHBondContact CE1-OG1 3.47Å; F148-T153 WeakPolarHBondContact O-CB 3.49Å; F148-T153 PolarHBondContact O-N 3.45Å; F148-T153 PolarHBondContact O-OG1 3.01Å; W149-T153 HydrophobicContact CE3-CG2 4.11Å; W149-T153 HydrophobicContact CZ3-CG2 4.14Å; W149-T153 WeakPolarHBondContact O-CB 3.44Å; W149-T153 PolarHBondContact O-N 2.99Å; T153-P170 WeakPolarHBondContact O-CG 3.3Å |
| 154 | L | 93.7 | Very high | 91.2 | Very high | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.063 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -93 | -30.3 | -176 | -62.8 | 178.3 | 0 | 0 | 0 | 113.2 | W108 W149 Y150 I156 N454 | W108-L154 HydrophobicContact CZ2-CD2 3.8Å; W149-L154 HydrophobicContact CD2-CD1 4.13Å; W149-L154 HydrophobicContact CD2-CG 4.38Å; W149-L154 HydrophobicContact CG-CD1 4.43Å; W149-L154 HydrophobicContact CH2-CD2 4.41Å; W149-L154 HydrophobicContact CZ2-CD1 3.8Å; W149-L154 HydrophobicContact CZ2-CD2 4.32Å; W149-L154 HydrophobicContact CZ2-CG 4.3Å; W149-L154 WeakPolarHBondContact O-CG 3.24Å; W149-L154 PolarHBondContact O-N 2.73Å; Y150-L154 HydrophobicContact CD1-CD1 4.3Å; L154-I156 VanDerWaalsContact C-N 3.29Å; L154-I156 HydrophobicContact CB-CB 4.24Å; L154-I156 HydrophobicContact CD1-CD1 4.49Å; L154-I156 PolarHBondContact O-N 3.01Å; L154-N454 HydrophobicContact CD1-CB 3.88Å; L154-N454 HydrophobicContact CD2-CB 4.49Å |
| 155 | N | 94.4 | Very high | 91 | Very high | 47 Ų | 47 | 39.4 Ų | 39.4 | 25% | 0.251 | 21% | 0.207 | S | C | . | . | trans | 44.1 | 57.3 | -164.8 | -172.1 | 29.8 | 0 | 0 | 0 | 111.3 | Y150 R151 Q167 E451 | Y150-N155 CarbonylContact O-C 3.2Å; Y150-N155 WeakPolarHBondContact O-CA 3.49Å; Y150-N155 PolarHBondContact O-N 2.67Å; Y150-N155 VanDerWaalsContact O-N 3.08Å; R151-N155 WeakPolarHBondContact O-CA 2.95Å; R151-N155 PolarHBondContact O-N 3.13Å; N155-Q167 HydrophobicContact CB-CG 4.39Å; N155-Q167 PolarHBondContact ND2-OE1 3.38Å; N155-E451 PolarHBondContact ND2-OE1 3.48Å; N155-E451 VanDerWaalsContact O-CB 3.32Å; N155-E451 WeakPolarHBondContact O-CB 3.18Å; N155-E451 VanDerWaalsContact O-CG 3.24Å; N155-E451 WeakPolarHBondContact O-CG 3.47Å | ||
| 156 | I | 93.5 | Very high | 90.9 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | trans | -68.5 | 141.1 | -164.8 | -161 | 170 | 0 | 0 | 0 | 112.3 | Y150 L154 E451 N454 Y455 W539 | Y150-I156 HydrophobicContact CD1-CB 4.44Å; Y150-I156 HydrophobicContact CD1-CD1 3.89Å; Y150-I156 HydrophobicContact CD1-CG2 3.93Å; Y150-I156 HydrophobicContact CE1-CD1 4.14Å; Y150-I156 HydrophobicContact CG-CG2 4.36Å; Y150-I156 PolarHBondContact O-N 3.43Å; L154-I156 VanDerWaalsContact C-N 3.29Å; L154-I156 HydrophobicContact CB-CB 4.24Å; L154-I156 HydrophobicContact CD1-CD1 4.49Å; L154-I156 PolarHBondContact O-N 3.01Å; I156-E451 WeakPolarHBondContact CA-O 3.38Å; I156-N454 HydrophobicContact CD1-CB 4.15Å; I156-Y455 HydrophobicContact CD1-CE1 3.71Å; I156-Y455 HydrophobicContact CD1-CE2 4.26Å; I156-Y455 WeakPolarHBondContact CD1-OH 3.45Å; I156-Y455 HydrophobicContact CG1-CE1 4.38Å; I156-Y455 HydrophobicContact CG1-CE2 4.03Å; I156-W539 HydrophobicContact CD1-CB 4.31Å; I156-W539 HydrophobicContact CG2-CB 3.6Å; I156-W539 HydrophobicContact CG2-CG 3.78Å | ||
| 157 | S | 93.9 | Very high | 91 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | trans | -76.4 | 154.5 | 173.8 | 64.6 | 0 | 0 | 0 | 0 | 112 | S159 E162 E451 Y455 | S157-S159 PolarHBondContact O-N 3.02Å; S157-S159 PolarHBondContact OG-O 3.19Å; S157-E162 WeakPolarHBondContact CB-O 3.23Å; S157-E162 PolarHBondContact OG-O 3.5Å; S157-E451 PolarHBondContact N-O 2.85Å; S157-E451 VanDerWaalsContact N-O 3.13Å; S157-Y455 WeakPolarHBondContact O-CE2 3.35Å; S157-Y455 PolarHBondContact O-OH 3.03Å | ||
| 158 | P | 91.2 | Very high | 91 | Very high | 65 Ų | 65 | 49.2 Ų | 49.2 | 42% | 0.422 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -65.3 | -20 | 178.8 | -21.2 | 32.7 | 0 | 0 | 0 | 114.4 | K549 | P158-K549 PolarHBondContact O-NZ 3.34Š|
| 159 | S | 91 | Very high | 90.9 | Very high | 9 Ų | 9 | 53.4 Ų | 53.4 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -154.5 | 160.2 | -176.2 | 75.3 | 0 | 0 | 0 | 0 | 111.9 | S157 Q161 E162 | S157-S159 PolarHBondContact O-N 3.02Å; S157-S159 PolarHBondContact OG-O 3.19Å; S159-Q161 PolarHBondContact O-N 3.43Å; S159-Q161 PolarHBondContact OG-N 3.35Å; S159-E162 PolarHBondContact O-N 3.12Å; S159-E162 PolarHBondContact OG-OE1 3.18Å |
| 160 | L | 89.7 | Confident | 90.8 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -19.4 | 176.1 | -176 | 67.7 | 0 | 0 | 0 | 112.7 | Y455 W456 I459 Y536 Y551 P552 Y554 A555 | L160-Y455 HydrophobicContact CB-CD2 4.36Å; L160-Y455 HydrophobicContact CD1-CD2 4.36Å; L160-Y455 HydrophobicContact CD1-CG 4.4Å; L160-W456 HydrophobicContact CD1-CD2 4.1Å; L160-W456 HydrophobicContact CD1-CG 4.31Å; L160-W456 HydrophobicContact CD1-CZ2 4.2Å; L160-I459 HydrophobicContact CD2-CD1 4.1Å; L160-Y536 HydrophobicContact CB-CE2 4.37Å; L160-Y536 PolarHBondContact N-OH 2.85Å; L160-Y551 HydrophobicContact CD2-CD1 4.07Å; L160-Y551 HydrophobicContact CD2-CE1 4.42Å; L160-P552 HydrophobicContact CD2-CG 3.87Å; L160-P552 HydrophobicContact CG-CG 4.46Å; L160-Y554 HydrophobicContact CD2-CE2 4.34Å; L160-Y554 HydrophobicContact CG-CE2 4.38Å; L160-Y554 PolarHBondContact O-OH 3.03Å; L160-A555 HydrophobicContact CD2-CB 3.47Å; L160-A555 VanDerWaalsContact CD2-CB 3.47Å |
| 161 | Q | 87.2 | Confident | 90.9 | Very high | 133 Ų | 133 | 53.2 Ų | 53.2 | 62% | 0.621 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -29.4 | -177.2 | -65.2 | 170.8 | -3.5 | 0 | 0 | 112 | S159 N163 P552 Y554 | S159-Q161 PolarHBondContact O-N 3.43Å; S159-Q161 PolarHBondContact OG-N 3.35Å; Q161-N163 PolarHBondContact O-N 3.01Å; Q161-N163 VanDerWaalsContact O-N 3.16Å; Q161-P552 HydrophobicContact CG-CB 4.31Å; Q161-P552 HydrophobicContact CG-CG 4.34Å; Q161-Y554 VanDerWaalsContact CA-OH 3.3Å; Q161-Y554 WeakPolarHBondContact CA-OH 3.39Å; Q161-Y554 HydrophobicContact CG-CE1 4.29Å; Q161-Y554 PolarHBondContact N-OH 3.38Å |
| 162 | E | 86.5 | Confident | 91.1 | Very high | 105 Ų | 105 | 55.6 Ų | 55.6 | 49% | 0.491 | 29% | 0.287 | S | S | . | . | trans | -84.8 | 87.3 | 176.5 | -70.5 | 163.9 | -114.1 | 0 | 0 | 109.1 | S157 S159 G164 | S157-E162 WeakPolarHBondContact CB-O 3.23Å; S157-E162 PolarHBondContact OG-O 3.5Å; S159-E162 PolarHBondContact O-N 3.12Å; S159-E162 PolarHBondContact OG-OE1 3.18Å; E162-G164 PolarHBondContact O-N 3.23Å | ||
| 163 | N | 71.1 | Confident | 91.3 | Very high | 98 Ų | 98 | 50.5 Ų | 50.5 | 52% | 0.524 | 27% | 0.265 | S | S | . | . | trans | -73.7 | 96 | 170.8 | -69.9 | -27.3 | 0 | 0 | 0 | 108.4 | Q161 | Q161-N163 PolarHBondContact O-N 3.01Å; Q161-N163 VanDerWaalsContact O-N 3.16Å | ||
| 164 | G | 83.4 | Confident | 91.4 | Very high | 24 Ų | 24 | 50.4 Ų | 50.4 | 25% | 0.247 | 27% | 0.265 | C | S | . | . | trans | -73.3 | -164.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E162 E451 | E162-G164 PolarHBondContact O-N 3.23Å; G164-E451 WeakPolarHBondContact CA-OE2 3.45Å | ||
| 165 | G | 89.3 | Confident | 91.6 | Very high | 39 Ų | 39 | 54 Ų | 54 | 40% | 0.402 | 28% | 0.284 | S | S | . | . | trans | -75.4 | 164.4 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | Q167 M450 E451 | G165-Q167 PolarHBondContact O-NE2 3.23Å; G165-M450 WeakPolarHBondContact O-CA 3.17Å; G165-E451 PolarHBondContact O-N 3.08Å | ||
| 166 | V | 91.6 | Very high | 91.8 | Very high | 53 Ų | 53 | 54.3 Ų | 54.3 | 32% | 0.321 | 29% | 0.285 | S | S | . | . | B | Isolated β-bridge | trans | -72.8 | 124.7 | 165.6 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | W168 A171 M446 M450 | V166-W168 PolarHBondContact O-N 2.8Å; V166-A171 HydrophobicContact CG1-CB 4.23Å; V166-M446 HydrophobicContact CG1-CE 4.09Å; V166-M450 HydrophobicContact CG2-CG 4.14Å |
| 167 | Q | 94 | Very high | 92 | Very high | 28 Ų | 28 | 54.2 Ų | 54.2 | 13% | 0.131 | 28% | 0.284 | C | S | . | . | trans | -78.5 | 114.4 | 173.2 | -54.8 | -54.1 | -59.2 | 0 | 0 | 108.8 | N155 G165 E169 P170 A171 T449 E451 | N155-Q167 HydrophobicContact CB-CG 4.39Å; N155-Q167 PolarHBondContact ND2-OE1 3.38Å; G165-Q167 PolarHBondContact O-NE2 3.23Å; Q167-E169 PolarHBondContact O-N 2.92Å; Q167-P170 HydrophobicContact CB-CG 4.03Å; Q167-A171 VanDerWaalsContact O-CB 3.25Å; Q167-A171 WeakPolarHBondContact O-CB 3.19Å; Q167-A171 PolarHBondContact O-N 2.95Å; Q167-T449 WeakPolarHBondContact CB-O 3.36Å; Q167-T449 PolarHBondContact N-O 3.24Å; Q167-E451 PolarHBondContact NE2-OE1 3.3Å | ||
| 168 | W | 93.6 | Very high | 92.1 | Very high | 203 Ų | 203 | 54.4 Ų | 54.4 | 77% | 0.769 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -71 | -31.6 | -169.2 | -65.1 | 86.1 | 0 | 0 | 0 | 112.3 | V166 A171 L172 | V166-W168 PolarHBondContact O-N 2.8Å; W168-A171 PolarHBondContact O-N 3.25Å; W168-L172 WeakPolarHBondContact O-CG 3.22Å; W168-L172 PolarHBondContact O-N 3.32Å |
| 169 | E | 93.8 | Very high | 92.4 | Very high | 100 Ų | 100 | 55.6 Ų | 55.6 | 47% | 0.467 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -72.5 | -49.7 | -176.7 | -50.8 | 86.7 | 156.6 | 0 | 0 | 112.7 | W111 Q167 A171 L172 C173 | W111-E169 HydrophobicContact CE3-CB 4.09Å; W111-E169 HydrophobicContact CH2-CB 3.89Å; W111-E169 HydrophobicContact CH2-CG 4.25Å; W111-E169 HydrophobicContact CZ3-CB 3.38Å; W111-E169 HydrophobicContact CZ3-CG 4.05Å; Q167-E169 PolarHBondContact O-N 2.92Å; E169-A171 VanDerWaalsContact C-N 3.26Å; E169-A171 PolarHBondContact O-N 2.85Å; E169-L172 PolarHBondContact O-N 3.48Å; E169-C173 PolarHBondContact O-N 3.4Å; E169-C173 VanDerWaalsContact O-N 3.15Å; E169-C173 PolarHBondContact O-SG 2.9Å |
| 170 | P | 93.4 | Very high | 92.7 | Very high | 7 Ų | 7 | 56.8 Ų | 56.8 | 5% | 0.045 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62 | -33 | 169.7 | -22.8 | 35.3 | 0 | 0 | 0 | 112.8 | T153 Q167 C173 L174 T449 | T153-P170 WeakPolarHBondContact O-CG 3.3Å; Q167-P170 HydrophobicContact CB-CG 4.03Å; P170-C173 WeakPolarHBondContact O-CB 3.44Å; P170-C173 PolarHBondContact O-N 2.67Å; P170-L174 PolarHBondContact O-N 3.41Å; P170-T449 HydrophobicContact CB-CG2 4.4Å |
| 171 | A | 95.8 | Very high | 93 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 3% | 0.033 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | V166 Q167 W168 E169 C173 L174 L175 M446 T449 | V166-A171 HydrophobicContact CG1-CB 4.23Å; Q167-A171 VanDerWaalsContact O-CB 3.25Å; Q167-A171 WeakPolarHBondContact O-CB 3.19Å; Q167-A171 PolarHBondContact O-N 2.95Å; W168-A171 PolarHBondContact O-N 3.25Å; E169-A171 VanDerWaalsContact C-N 3.26Å; E169-A171 PolarHBondContact O-N 2.85Å; A171-C173 VanDerWaalsContact C-N 3.33Å; A171-L174 WeakPolarHBondContact O-CB 3.29Å; A171-L174 PolarHBondContact O-N 3.38Å; A171-L175 WeakPolarHBondContact O-CG 3.34Å; A171-L175 PolarHBondContact O-N 3.37Å; A171-M446 HydrophobicContact CB-CE 3.67Å; A171-M446 HydrophobicContact CB-SD 4.12Å; A171-T449 HydrophobicContact CB-CG2 4.45Å |
| 172 | L | 97.1 | Very high | 93.4 | Very high | 116 Ų | 116 | 53.6 Ų | 53.6 | 61% | 0.607 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.7 | -39.2 | 172.3 | -73.2 | 172.4 | 0 | 0 | 0 | 111.7 | W168 E169 L174 L175 L176 | W168-L172 WeakPolarHBondContact O-CG 3.22Å; W168-L172 PolarHBondContact O-N 3.32Å; E169-L172 PolarHBondContact O-N 3.48Å; L172-L174 VanDerWaalsContact C-N 3.3Å; L172-L174 PolarHBondContact O-N 2.79Å; L172-L175 HydrophobicContact CD2-CD1 4.33Å; L172-L175 PolarHBondContact O-N 3.35Å; L172-L176 PolarHBondContact O-N 3.3Å |
| 173 | C | 97.8 | Very high | 93.8 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 5% | 0.054 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65 | -34.4 | 174.5 | -62.9 | 0 | 0 | 0 | 0 | 112 | A107 F110 E169 P170 A171 L176 A177 | A107-C173 HydrophobicContact CB-CB 3.94Å; A107-C173 VanDerWaalsContact O-CB 3.3Å; A107-C173 WeakPolarHBondContact O-CB 3.38Å; F110-C173 HydrophobicContact CB-CB 4.24Å; E169-C173 PolarHBondContact O-N 3.4Å; E169-C173 VanDerWaalsContact O-N 3.15Å; E169-C173 PolarHBondContact O-SG 2.9Å; P170-C173 WeakPolarHBondContact O-CB 3.44Å; P170-C173 PolarHBondContact O-N 2.67Å; A171-C173 VanDerWaalsContact C-N 3.33Å; C173-L176 PolarHBondContact O-N 3.44Å; C173-A177 WeakPolarHBondContact O-CB 3.44Å; C173-A177 PolarHBondContact O-N 2.95Å |
| 174 | L | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.6 | -42.7 | 175.6 | -179.3 | 63.2 | 0 | 0 | 0 | 111.7 | V104 A107 P170 A171 L172 L176 A177 W178 G445 M446 T449 | V104-L174 HydrophobicContact CG2-CD1 4.2Å; A107-L174 HydrophobicContact CB-CB 3.92Å; A107-L174 HydrophobicContact CB-CD1 4.33Å; P170-L174 PolarHBondContact O-N 3.41Å; A171-L174 WeakPolarHBondContact O-CB 3.29Å; A171-L174 PolarHBondContact O-N 3.38Å; L172-L174 VanDerWaalsContact C-N 3.3Å; L172-L174 PolarHBondContact O-N 2.79Å; L174-L176 VanDerWaalsContact C-N 3.31Å; L174-L176 PolarHBondContact O-N 3.36Å; L174-A177 PolarHBondContact O-N 2.91Å; L174-W178 PolarHBondContact O-N 3.35Å; L174-G445 WeakPolarHBondContact CD2-O 3.28Å; L174-M446 HydrophobicContact CD2-SD 4.3Å; L174-T449 HydrophobicContact CB-CG2 4.41Å; L174-T449 HydrophobicContact CD2-CG2 3.91Å |
| 175 | L | 97.8 | Very high | 95.4 | Very high | 89 Ų | 89 | 48.5 Ų | 48.5 | 47% | 0.466 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.7 | -44.5 | 172.8 | -74.1 | 166.5 | 0 | 0 | 0 | 111.1 | A171 L172 W178 L179 C442 | A171-L175 WeakPolarHBondContact O-CG 3.34Å; A171-L175 PolarHBondContact O-N 3.37Å; L172-L175 HydrophobicContact CD2-CD1 4.33Å; L172-L175 PolarHBondContact O-N 3.35Å; L175-W178 PolarHBondContact O-N 2.94Å; L175-L179 WeakPolarHBondContact O-CB 3.29Å; L175-L179 PolarHBondContact O-N 2.89Å; L175-C442 VanDerWaalsContact CD2-SG 3.57Å |
| 176 | L | 98.1 | Very high | 95.4 | Very high | 53 Ų | 53 | 49.3 Ų | 49.3 | 28% | 0.277 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 175 | 178 | 62.6 | 0 | 0 | 0 | 111.8 | F110 F114 L172 C173 L174 W178 L179 V180 | F110-L176 HydrophobicContact CD1-CD2 3.88Å; F110-L176 HydrophobicContact CD2-CD2 4.34Å; F110-L176 HydrophobicContact CD2-CG 4.47Å; F110-L176 HydrophobicContact CE1-CD2 3.98Å; F110-L176 HydrophobicContact CE1-CG 4.46Å; F110-L176 HydrophobicContact CE2-CD2 4.44Å; F110-L176 HydrophobicContact CE2-CG 4.27Å; F110-L176 HydrophobicContact CG-CD2 4.08Å; F110-L176 HydrophobicContact CZ-CD2 4.27Å; F110-L176 HydrophobicContact CZ-CG 4.27Å; F114-L176 HydrophobicContact CE2-CD2 4.03Å; F114-L176 HydrophobicContact CZ-CD2 3.57Å; L172-L176 PolarHBondContact O-N 3.3Å; C173-L176 PolarHBondContact O-N 3.44Å; L174-L176 VanDerWaalsContact C-N 3.31Å; L174-L176 PolarHBondContact O-N 3.36Å; L176-W178 VanDerWaalsContact C-N 3.35Å; L176-W178 PolarHBondContact O-N 3.1Å; L176-L179 WeakPolarHBondContact O-CB 3.45Å; L176-L179 PolarHBondContact O-N 3.18Å; L176-V180 HydrophobicContact CD1-CG2 4.2Å; L176-V180 WeakPolarHBondContact O-CG2 3.27Å; L176-V180 PolarHBondContact O-N 3.15Å |
| 177 | A | 97.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N106 F110 C173 L174 V180 V181 | N106-A177 HydrophobicContact CB-CB 3.95Å; F110-A177 HydrophobicContact CD2-CB 4.15Å; F110-A177 HydrophobicContact CE2-CB 4.05Å; C173-A177 WeakPolarHBondContact O-CB 3.44Å; C173-A177 PolarHBondContact O-N 2.95Å; L174-A177 PolarHBondContact O-N 2.91Å; A177-V180 PolarHBondContact O-N 3.4Å; A177-V181 WeakPolarHBondContact O-CG2 3.47Å; A177-V181 PolarHBondContact O-N 2.75Å |
| 178 | W | 97.5 | Very high | 94.6 | Very high | 7 Ų | 7 | 55.7 Ų | 55.7 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.1 | -36.6 | 175.5 | -83 | 108.8 | 0 | 0 | 0 | 113.3 | S99 N103 L174 L175 L176 V181 Y182 M407 T411 C438 N441 C442 | S99-W178 VanDerWaalsContact O-CZ2 3.28Å; S99-W178 WeakPolarHBondContact O-CZ2 3.28Å; N103-W178 HydrophobicContact CB-CZ2 3.85Å; N103-W178 PolarHBondContact ND2-N 3.05Å; N103-W178 PolarHBondContact ND2-NE1 3.15Å; L174-W178 PolarHBondContact O-N 3.35Å; L175-W178 PolarHBondContact O-N 2.94Å; L176-W178 VanDerWaalsContact C-N 3.35Å; L176-W178 PolarHBondContact O-N 3.1Å; W178-V181 HydrophobicContact CE3-CG1 4.46Å; W178-V181 HydrophobicContact CZ3-CG1 4.39Å; W178-V181 PolarHBondContact O-N 3.38Å; W178-Y182 WeakPolarHBondContact O-CB 3.13Å; W178-Y182 PolarHBondContact O-N 3.44Å; W178-M407 HydrophobicContact CH2-CE 4.36Å; W178-T411 HydrophobicContact CZ3-CG2 4.36Å; W178-C438 HydrophobicContact CE3-CB 3.75Å; W178-C438 HydrophobicContact CZ3-CB 4.22Å; W178-N441 HydrophobicContact CH2-CB 3.3Å; W178-N441 HydrophobicContact CZ2-CB 3.25Å; W178-N441 HydrophobicContact CZ3-CB 4.02Å; W178-C442 HydrophobicContact CB-CB 4.1Å; W178-C442 VanDerWaalsContact CD1-CB 3.42Å; W178-C442 VanDerWaalsContact CD1-SG 3.51Å; W178-C442 HydrophobicContact CD2-CB 4.28Å; W178-C442 HydrophobicContact CG-CB 3.65Å |
| 179 | L | 96.9 | Very high | 94.1 | Very high | 90 Ų | 90 | 47 Ų | 47 | 47% | 0.471 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.1 | -46.8 | 173.8 | 178.9 | 64 | 0 | 0 | 0 | 111 | L175 L176 Y182 L183 | L175-L179 WeakPolarHBondContact O-CB 3.29Å; L175-L179 PolarHBondContact O-N 2.89Å; L176-L179 WeakPolarHBondContact O-CB 3.45Å; L176-L179 PolarHBondContact O-N 3.18Å; L179-Y182 PolarHBondContact O-N 2.99Å; L179-L183 HydrophobicContact CD1-CD1 4.45Å; L179-L183 HydrophobicContact CD1-CG 4.41Å; L179-L183 HydrophobicContact CG-CD1 4.23Å; L179-L183 VanDerWaalsContact O-CG 3.28Å; L179-L183 WeakPolarHBondContact O-CG 3.37Å; L179-L183 PolarHBondContact O-N 3.01Å |
| 180 | V | 96.8 | Very high | 93.7 | Very high | 35 Ų | 35 | 48.7 Ų | 48.7 | 21% | 0.212 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.7 | -47.2 | 177.7 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | F110 L176 A177 Y182 L183 C184 I404 | F110-V180 HydrophobicContact CZ-CG2 4.1Å; L176-V180 HydrophobicContact CD1-CG2 4.2Å; L176-V180 WeakPolarHBondContact O-CG2 3.27Å; L176-V180 PolarHBondContact O-N 3.15Å; A177-V180 PolarHBondContact O-N 3.4Å; V180-Y182 VanDerWaalsContact C-N 3.34Å; V180-Y182 PolarHBondContact O-N 3.01Å; V180-L183 PolarHBondContact O-N 3.26Å; V180-C184 PolarHBondContact O-N 2.74Å; V180-C184 PolarHBondContact O-SG 2.97Å; V180-I404 HydrophobicContact CG1-CD1 3.75Å; V180-I404 HydrophobicContact CG1-CG1 4.45Å |
| 181 | V | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.9 | -48.4 | 175.9 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | A177 W178 L183 C184 I185 M407 T411 | A177-V181 WeakPolarHBondContact O-CG2 3.47Å; A177-V181 PolarHBondContact O-N 2.75Å; W178-V181 HydrophobicContact CE3-CG1 4.46Å; W178-V181 HydrophobicContact CZ3-CG1 4.39Å; W178-V181 PolarHBondContact O-N 3.38Å; V181-L183 PolarHBondContact O-N 3.3Å; V181-C184 WeakPolarHBondContact O-CB 3.33Å; V181-C184 PolarHBondContact O-N 3.19Å; V181-C184 VanDerWaalsContact O-N 3.14Å; V181-I185 WeakPolarHBondContact O-CG1 3.45Å; V181-I185 PolarHBondContact O-N 2.66Å; V181-I185 VanDerWaalsContact O-N 3.12Å; V181-M407 HydrophobicContact CG1-CB 4.45Å; V181-M407 HydrophobicContact CG2-CB 3.86Å; V181-M407 HydrophobicContact CG2-CG 4.22Å; V181-T411 HydrophobicContact CG1-CG2 3.95Å |
| 182 | Y | 95.9 | Very high | 93.1 | Very high | 65 Ų | 65 | 49.9 Ų | 49.9 | 26% | 0.255 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.5 | -46.2 | 178 | 173.9 | -113.9 | 0 | 0 | 0 | 112.5 | W178 L179 V180 C184 I185 L186 G435 | W178-Y182 WeakPolarHBondContact O-CB 3.13Å; W178-Y182 PolarHBondContact O-N 3.44Å; L179-Y182 PolarHBondContact O-N 2.99Å; V180-Y182 VanDerWaalsContact C-N 3.34Å; V180-Y182 PolarHBondContact O-N 3.01Å; Y182-C184 VanDerWaalsContact C-N 3.29Å; Y182-C184 PolarHBondContact O-N 2.87Å; Y182-I185 WeakPolarHBondContact O-CG1 3.23Å; Y182-I185 PolarHBondContact O-N 3.02Å; Y182-L186 HydrophobicContact CE1-CD1 3.87Å; Y182-L186 HydrophobicContact CE2-CD1 3.82Å; Y182-L186 PolarHBondContact O-N 3.36Å; Y182-L186 VanDerWaalsContact OH-CD1 3.23Å; Y182-L186 WeakPolarHBondContact OH-CD1 3.39Å; Y182-G435 VanDerWaalsContact CE2-CA 3.42Å |
| 183 | L | 95 | Very high | 92.7 | Very high | 97 Ų | 97 | 44.3 Ų | 44.3 | 51% | 0.508 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.3 | -38.4 | 177.1 | -69.4 | 174.1 | 0 | 0 | 0 | 111.9 | L179 V180 V181 I185 | L179-L183 HydrophobicContact CD1-CD1 4.45Å; L179-L183 HydrophobicContact CD1-CG 4.41Å; L179-L183 HydrophobicContact CG-CD1 4.23Å; L179-L183 VanDerWaalsContact O-CG 3.28Å; L179-L183 WeakPolarHBondContact O-CG 3.37Å; L179-L183 PolarHBondContact O-N 3.01Å; V180-L183 PolarHBondContact O-N 3.26Å; V181-L183 PolarHBondContact O-N 3.3Å; L183-I185 PolarHBondContact O-N 2.72Å |
| 184 | C | 94.4 | Very high | 92.3 | Very high | 16 Ų | 16 | 51.5 Ų | 51.5 | 11% | 0.108 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.9 | -32.1 | 178.2 | -64.4 | 0 | 0 | 0 | 0 | 113.2 | V180 V181 Y182 S191 T192 V195 L408 | V180-C184 PolarHBondContact O-N 2.74Å; V180-C184 PolarHBondContact O-SG 2.97Å; V181-C184 WeakPolarHBondContact O-CB 3.33Å; V181-C184 PolarHBondContact O-N 3.19Å; V181-C184 VanDerWaalsContact O-N 3.14Å; Y182-C184 VanDerWaalsContact C-N 3.29Å; Y182-C184 PolarHBondContact O-N 2.87Å; C184-S191 WeakPolarHBondContact O-CB 3.49Å; C184-S191 PolarHBondContact O-OG 3.15Å; C184-T192 PolarHBondContact O-N 3.36Å; C184-V195 HydrophobicContact CB-CG1 4.26Å; C184-V195 HydrophobicContact CB-CG2 4.23Å; C184-L408 HydrophobicContact CB-CD2 3.59Å |
| 185 | I | 92.6 | Very high | 92.1 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -97.1 | -5.2 | -178.9 | 65.7 | 168.9 | 0 | 0 | 0 | 114.3 | V181 Y182 L183 R187 G188 L408 L415 | V181-I185 WeakPolarHBondContact O-CG1 3.45Å; V181-I185 PolarHBondContact O-N 2.66Å; V181-I185 VanDerWaalsContact O-N 3.12Å; Y182-I185 WeakPolarHBondContact O-CG1 3.23Å; Y182-I185 PolarHBondContact O-N 3.02Å; L183-I185 PolarHBondContact O-N 2.72Å; I185-R187 VanDerWaalsContact C-N 3.27Å; I185-R187 PolarHBondContact O-N 3.06Å; I185-G188 WeakPolarHBondContact O-CA 3.27Å; I185-G188 PolarHBondContact O-N 3.41Å; I185-L408 HydrophobicContact CG2-CD2 3.62Å; I185-L415 HydrophobicContact CD1-CD1 3.49Å; I185-L415 VanDerWaalsContact CD1-CD1 3.49Å |
| 186 | L | 89.3 | Confident | 91.9 | Very high | 56 Ų | 56 | 49.1 Ų | 49.1 | 29% | 0.293 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -41.4 | -168.2 | -175.3 | 68.4 | 0 | 0 | 0 | 114.1 | Y182 E431 | Y182-L186 HydrophobicContact CE1-CD1 3.87Å; Y182-L186 HydrophobicContact CE2-CD1 3.82Å; Y182-L186 PolarHBondContact O-N 3.36Å; Y182-L186 VanDerWaalsContact OH-CD1 3.23Å; Y182-L186 WeakPolarHBondContact OH-CD1 3.39Å; L186-E431 HydrophobicContact CD1-CB 4.41Å; L186-E431 HydrophobicContact CD1-CG 4.48Å |
| 187 | R | 85.6 | Confident | 91.6 | Very high | 180 Ų | 180 | 50.2 Ų | 50.2 | 68% | 0.679 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 20.2 | 179 | -58.4 | -174.2 | -179.8 | 177.8 | 1.1 | 113.6 | I185 | I185-R187 VanDerWaalsContact C-N 3.27Å; I185-R187 PolarHBondContact O-N 3.06Å |
| 188 | G | 84.8 | Confident | 91.4 | Very high | 35 Ų | 35 | 55 Ų | 55 | 36% | 0.361 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | -137.9 | -175 | 0 | 0 | 0 | 0 | 0 | 112.5 | I185 E190 S191 T192 | I185-G188 WeakPolarHBondContact O-CA 3.27Å; I185-G188 PolarHBondContact O-N 3.41Å; G188-E190 PolarHBondContact O-N 2.87Å; G188-E190 VanDerWaalsContact O-N 3.12Å; G188-S191 PolarHBondContact O-N 2.88Å; G188-S191 VanDerWaalsContact O-N 3.1Å; G188-T192 PolarHBondContact O-N 2.99Å; G188-T192 PolarHBondContact O-OG1 3.44Å; G188-T192 VanDerWaalsContact O-OG1 3.06Å |
| 189 | T | 81.4 | Confident | 91.3 | Very high | 21 Ų | 21 | 54.9 Ų | 54.9 | 13% | 0.129 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.7 | -25.7 | -172 | 54 | 0 | 0 | 0 | 0 | 114.4 | W8 G193 Y265 | W8-T189 HydrophobicContact CH2-CG2 4.04Å; W8-T189 HydrophobicContact CZ2-CG2 4.11Å; W8-T189 HydrophobicContact CZ3-CG2 4.26Å; T189-G193 WeakPolarHBondContact O-CA 3.39Å; T189-G193 PolarHBondContact O-N 3Å; T189-Y265 HydrophobicContact CG2-CD1 4.14Å; T189-Y265 HydrophobicContact CG2-CD2 3.85Å; T189-Y265 HydrophobicContact CG2-CE1 4.34Å; T189-Y265 HydrophobicContact CG2-CE2 4.08Å; T189-Y265 HydrophobicContact CG2-CG 3.9Å |
| 190 | E | 85.4 | Confident | 91.1 | Very high | 135 Ų | 135 | 50.9 Ų | 50.9 | 63% | 0.631 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -67.6 | -41.4 | 175.4 | -84.8 | -168.4 | 155.4 | 0 | 0 | 113.2 | G188 | G188-E190 PolarHBondContact O-N 2.87Å; G188-E190 VanDerWaalsContact O-N 3.12Å |
| 191 | S | 88.8 | Confident | 90.9 | Very high | 25 Ų | 25 | 51.6 Ų | 51.6 | 18% | 0.175 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -79.2 | -52 | 178.7 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | C184 G188 G193 K194 V195 | C184-S191 WeakPolarHBondContact O-CB 3.49Å; C184-S191 PolarHBondContact O-OG 3.15Å; G188-S191 PolarHBondContact O-N 2.88Å; G188-S191 VanDerWaalsContact O-N 3.1Å; S191-G193 PolarHBondContact O-N 2.92Å; S191-K194 PolarHBondContact O-N 3.49Å; S191-V195 WeakPolarHBondContact O-CG2 3.36Å; S191-V195 PolarHBondContact O-N 3.37Å |
| 192 | T | 89.4 | Confident | 90.9 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -53.2 | -45.1 | 178.6 | -55.4 | 0 | 0 | 0 | 0 | 110.6 | C184 G188 K194 V195 V196 L408 | C184-T192 PolarHBondContact O-N 3.36Å; G188-T192 PolarHBondContact O-N 2.99Å; G188-T192 PolarHBondContact O-OG1 3.44Å; G188-T192 VanDerWaalsContact O-OG1 3.06Å; T192-K194 PolarHBondContact O-N 3.22Å; T192-K194 VanDerWaalsContact O-N 3.17Å; T192-V195 PolarHBondContact O-N 3Å; T192-V195 VanDerWaalsContact O-N 3.17Å; T192-V196 HydrophobicContact CG2-CG1 4.06Å; T192-V196 VanDerWaalsContact O-CG1 3.28Å; T192-V196 WeakPolarHBondContact O-CG1 3.14Å; T192-V196 WeakPolarHBondContact O-CG2 3.4Å; T192-V196 PolarHBondContact O-N 3.48Å; T192-L408 HydrophobicContact CG2-CB 4.22Å; T192-L408 HydrophobicContact CG2-CD1 4.18Å; T192-L408 HydrophobicContact CG2-CD2 4.46Å |
| 193 | G | 87.5 | Confident | 90.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.2 | -22.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q13 T189 S191 V196 Y197 | Q13-G193 WeakPolarHBondContact CG-O 3.49Å; Q13-G193 PolarHBondContact NE2-O 3.38Å; T189-G193 WeakPolarHBondContact O-CA 3.39Å; T189-G193 PolarHBondContact O-N 3Å; S191-G193 PolarHBondContact O-N 2.92Å; G193-V196 WeakPolarHBondContact O-CG2 3.44Å; G193-Y197 WeakPolarHBondContact O-CD2 3.12Å; G193-Y197 VanDerWaalsContact O-CE2 3.24Å; G193-Y197 WeakPolarHBondContact O-CE2 3.47Å |
| 194 | K | 90.6 | Very high | 90.8 | Very high | 159 Ų | 159 | 47.9 Ų | 47.9 | 69% | 0.691 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -84.9 | -41.3 | 173.9 | -67.5 | 176 | -175 | 177.3 | 0 | 111 | S191 T192 V196 Y197 | S191-K194 PolarHBondContact O-N 3.49Å; T192-K194 PolarHBondContact O-N 3.22Å; T192-K194 VanDerWaalsContact O-N 3.17Å; K194-V196 VanDerWaalsContact C-N 3.35Å; K194-V196 PolarHBondContact O-N 3.29Å; K194-Y197 PolarHBondContact O-N 3.33Å |
| 195 | V | 93.1 | Very high | 90.9 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 22% | 0.218 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.5 | -36.2 | -179.6 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | C184 S191 T192 Y197 F198 T199 L408 | C184-V195 HydrophobicContact CB-CG1 4.26Å; C184-V195 HydrophobicContact CB-CG2 4.23Å; S191-V195 WeakPolarHBondContact O-CG2 3.36Å; S191-V195 PolarHBondContact O-N 3.37Å; T192-V195 PolarHBondContact O-N 3Å; T192-V195 VanDerWaalsContact O-N 3.17Å; V195-Y197 VanDerWaalsContact C-N 3.26Å; V195-Y197 PolarHBondContact O-N 3.44Å; V195-F198 PolarHBondContact O-N 3.02Å; V195-F198 VanDerWaalsContact O-N 3.13Å; V195-T199 HydrophobicContact CG1-CG2 3.78Å; V195-T199 PolarHBondContact O-N 3.26Å; V195-T199 PolarHBondContact O-OG1 3.4Å; V195-L408 HydrophobicContact CG1-CD1 4.09Å |
| 196 | V | 93.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -29 | -178.6 | -67.1 | 0 | 0 | 0 | 0 | 113.7 | Q13 F16 A17 T192 G193 K194 F198 T199 A200 L408 | Q13-V196 HydrophobicContact CG-CG2 4.48Å; F16-V196 HydrophobicContact CB-CG2 4.36Å; A17-V196 HydrophobicContact CB-CB 4.42Å; A17-V196 HydrophobicContact CB-CG1 4Å; A17-V196 HydrophobicContact CB-CG2 4.31Å; T192-V196 HydrophobicContact CG2-CG1 4.06Å; T192-V196 VanDerWaalsContact O-CG1 3.28Å; T192-V196 WeakPolarHBondContact O-CG1 3.14Å; T192-V196 WeakPolarHBondContact O-CG2 3.4Å; T192-V196 PolarHBondContact O-N 3.48Å; G193-V196 WeakPolarHBondContact O-CG2 3.44Å; K194-V196 VanDerWaalsContact C-N 3.35Å; K194-V196 PolarHBondContact O-N 3.29Å; V196-F198 VanDerWaalsContact C-N 3.32Å; V196-F198 PolarHBondContact O-N 3.16Å; V196-T199 VanDerWaalsContact CA-OG1 3.26Å; V196-T199 WeakPolarHBondContact CA-OG1 3.32Å; V196-A200 WeakPolarHBondContact O-CB 3.4Å; V196-A200 PolarHBondContact O-N 3.29Å; V196-L408 HydrophobicContact CG1-CD1 3.95Å |
| 197 | Y | 92.5 | Very high | 91.4 | Very high | 77 Ų | 77 | 47.8 Ų | 47.8 | 30% | 0.302 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.3 | -42 | 175.4 | -73.3 | -70.5 | 0 | 0 | 0 | 111.5 | N10 Q13 F16 G193 K194 V195 S201 | N10-Y197 PolarHBondContact ND2-OH 3.17Å; N10-Y197 PolarHBondContact OD1-OH 3.19Å; Q13-Y197 HydrophobicContact CB-CE2 4.46Å; Q13-Y197 WeakPolarHBondContact CB-OH 3.14Å; Q13-Y197 HydrophobicContact CG-CE2 4.11Å; F16-Y197 HydrophobicContact CD1-CD1 4.06Å; F16-Y197 HydrophobicContact CD2-CD1 4.21Å; F16-Y197 AromaticContact CD2-CE1 3.94Å; F16-Y197 HydrophobicContact CD2-CE1 3.94Å; F16-Y197 HydrophobicContact CE1-CD1 4.33Å; F16-Y197 HydrophobicContact CE2-CD1 4.47Å; F16-Y197 HydrophobicContact CE2-CE1 4.29Å; F16-Y197 HydrophobicContact CG-CD1 4Å; F16-Y197 HydrophobicContact CG-CE1 4.1Å; G193-Y197 WeakPolarHBondContact O-CD2 3.12Å; G193-Y197 VanDerWaalsContact O-CE2 3.24Å; G193-Y197 WeakPolarHBondContact O-CE2 3.47Å; K194-Y197 PolarHBondContact O-N 3.33Å; V195-Y197 VanDerWaalsContact C-N 3.26Å; V195-Y197 PolarHBondContact O-N 3.44Å; Y197-S201 WeakPolarHBondContact O-CB 3.49Å; Y197-S201 PolarHBondContact O-N 3.43Å; Y197-S201 PolarHBondContact O-OG 3.39Å |
| 198 | F | 92.9 | Very high | 92 | Very high | 101 Ų | 101 | 43.4 Ų | 43.4 | 44% | 0.443 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -75.2 | -50.9 | 179.9 | -174.4 | -105 | 0 | 0 | 0 | 111.5 | V195 V196 A200 S201 L202 F397 M401 | V195-F198 PolarHBondContact O-N 3.02Å; V195-F198 VanDerWaalsContact O-N 3.13Å; V196-F198 VanDerWaalsContact C-N 3.32Å; V196-F198 PolarHBondContact O-N 3.16Å; F198-A200 VanDerWaalsContact C-N 3.27Å; F198-A200 PolarHBondContact O-N 3.35Å; F198-S201 PolarHBondContact O-N 2.82Å; F198-S201 PolarHBondContact O-OG 3Å; F198-L202 HydrophobicContact CE1-CD2 4.19Å; F198-L202 HydrophobicContact CE2-CB 4.46Å; F198-L202 HydrophobicContact CE2-CD1 4.2Å; F198-L202 HydrophobicContact CZ-CB 4.43Å; F198-L202 HydrophobicContact CZ-CD1 4.16Å; F198-L202 HydrophobicContact CZ-CD2 3.96Å; F198-L202 HydrophobicContact CZ-CG 4.4Å; F198-L202 WeakPolarHBondContact O-CB 3.45Å; F198-L202 PolarHBondContact O-N 2.85Å; F198-F397 HydrophobicContact CE1-CE1 4.37Å; F198-F397 AromaticContact CE1-CZ 4Å; F198-F397 HydrophobicContact CE1-CZ 4Å; F198-F397 HydrophobicContact CZ-CE1 4.02Å; F198-F397 AromaticContact CZ-CZ 3.96Å; F198-F397 HydrophobicContact CZ-CZ 3.96Å; F198-M401 HydrophobicContact CD1-SD 3.66Å; F198-M401 HydrophobicContact CE1-CE 4.4Å; F198-M401 HydrophobicContact CE1-CG 4.18Å; F198-M401 HydrophobicContact CE1-SD 3.5Å; F198-M401 VanDerWaalsContact CE1-SD 3.5Å |
| 199 | T | 94 | Very high | 92.5 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.5 | -28.4 | -178 | 49.5 | 0 | 0 | 0 | 0 | 113.2 | S20 V195 V196 P203 M401 I404 | S20-T199 PolarHBondContact OG-OG1 3.22Å; V195-T199 HydrophobicContact CG1-CG2 3.78Å; V195-T199 PolarHBondContact O-N 3.26Å; V195-T199 PolarHBondContact O-OG1 3.4Å; V196-T199 VanDerWaalsContact CA-OG1 3.26Å; V196-T199 WeakPolarHBondContact CA-OG1 3.32Å; T199-P203 WeakPolarHBondContact O-CD 3.4Å; T199-P203 VanDerWaalsContact O-CG 3.28Å; T199-P203 WeakPolarHBondContact O-CG 3.41Å; T199-M401 HydrophobicContact CG2-SD 3.84Å; T199-I404 HydrophobicContact CG2-CB 4.47Å; T199-I404 HydrophobicContact CG2-CG2 4.06Å |
| 200 | A | 92.8 | Very high | 93.2 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -83.9 | -33.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F16 V196 F198 Y204 | F16-A200 HydrophobicContact CD1-CB 3.84Å; F16-A200 HydrophobicContact CE1-CB 4.49Å; V196-A200 WeakPolarHBondContact O-CB 3.4Å; V196-A200 PolarHBondContact O-N 3.29Å; F198-A200 VanDerWaalsContact C-N 3.27Å; F198-A200 PolarHBondContact O-N 3.35Å; A200-Y204 WeakPolarHBondContact O-CD2 3.43Å; A200-Y204 VanDerWaalsContact O-CE2 3.29Å; A200-Y204 WeakPolarHBondContact O-CE2 3.4Å |
| 201 | S | 93.8 | Very high | 93.7 | Very high | 50 Ų | 50 | 39.7 Ų | 39.7 | 35% | 0.35 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -86.1 | -42.2 | -173.2 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | Y197 F198 Y204 C205 | Y197-S201 WeakPolarHBondContact O-CB 3.49Å; Y197-S201 PolarHBondContact O-N 3.43Å; Y197-S201 PolarHBondContact O-OG 3.39Å; F198-S201 PolarHBondContact O-N 2.82Å; F198-S201 PolarHBondContact O-OG 3Å; S201-Y204 PolarHBondContact O-N 3.27Å; S201-Y204 VanDerWaalsContact O-N 3.1Å; S201-C205 PolarHBondContact O-N 3.31Å |
| 202 | L | 94.9 | Very high | 94.1 | Very high | 32 Ų | 32 | 43.8 Ų | 43.8 | 17% | 0.168 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.5 | -42.9 | -176.5 | -174.1 | 84.7 | 0 | 0 | 0 | 112.7 | F198 Y204 C205 V206 F397 M401 | F198-L202 HydrophobicContact CE1-CD2 4.19Å; F198-L202 HydrophobicContact CE2-CB 4.46Å; F198-L202 HydrophobicContact CE2-CD1 4.2Å; F198-L202 HydrophobicContact CZ-CB 4.43Å; F198-L202 HydrophobicContact CZ-CD1 4.16Å; F198-L202 HydrophobicContact CZ-CD2 3.96Å; F198-L202 HydrophobicContact CZ-CG 4.4Å; F198-L202 WeakPolarHBondContact O-CB 3.45Å; F198-L202 PolarHBondContact O-N 2.85Å; L202-Y204 VanDerWaalsContact C-N 3.26Å; L202-Y204 PolarHBondContact O-N 2.86Å; L202-C205 WeakPolarHBondContact O-CB 3.19Å; L202-C205 PolarHBondContact O-N 2.62Å; L202-C205 VanDerWaalsContact O-N 3.1Å; L202-V206 HydrophobicContact CG-CG2 4.35Å; L202-V206 PolarHBondContact O-N 3.34Å; L202-F397 HydrophobicContact CD1-CE1 4.41Å; L202-F397 HydrophobicContact CD2-CD1 3.38Å; L202-F397 HydrophobicContact CD2-CE1 3.23Å; L202-F397 HydrophobicContact CD2-CG 4.34Å; L202-F397 HydrophobicContact CD2-CZ 4.11Å; L202-F397 HydrophobicContact CG-CE1 4.43Å; L202-M401 HydrophobicContact CB-CG 4.44Å; L202-M401 HydrophobicContact CD2-CB 4.42Å; L202-M401 HydrophobicContact CD2-CG 3.47Å; L202-M401 VanDerWaalsContact CD2-CG 3.47Å |
| 203 | P | 95.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.1 | -36.6 | 178 | -27.1 | 37.2 | 0 | 0 | 0 | 113.8 | T199 V206 L207 M398 M401 L402 | T199-P203 WeakPolarHBondContact O-CD 3.4Å; T199-P203 VanDerWaalsContact O-CG 3.28Å; T199-P203 WeakPolarHBondContact O-CG 3.41Å; P203-V206 PolarHBondContact O-N 3.49Å; P203-L207 WeakPolarHBondContact O-CB 2.99Å; P203-L207 VanDerWaalsContact O-CG 3.24Å; P203-L207 WeakPolarHBondContact O-CG 3.45Å; P203-L207 PolarHBondContact O-N 2.98Å; P203-M398 HydrophobicContact CB-CG 3.98Å; P203-M401 HydrophobicContact CG-CB 4.01Å; P203-L402 HydrophobicContact CB-CD1 4.31Å; P203-L402 HydrophobicContact CB-CD2 3.6Å; P203-L402 HydrophobicContact CB-CG 3.82Å; P203-L402 HydrophobicContact CG-CD2 3.64Å; P203-L402 HydrophobicContact CG-CG 3.76Å |
| 204 | Y | 95.1 | Very high | 94.7 | Very high | 50 Ų | 50 | 45.7 Ų | 45.7 | 20% | 0.196 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.1 | -41.7 | 175.5 | -69.7 | -80.5 | 0 | 0 | 0 | 112.3 | I19 A200 S201 L202 V206 L207 I208 I282 T286 | I19-Y204 HydrophobicContact CG2-CE2 4.44Å; A200-Y204 WeakPolarHBondContact O-CD2 3.43Å; A200-Y204 VanDerWaalsContact O-CE2 3.29Å; A200-Y204 WeakPolarHBondContact O-CE2 3.4Å; S201-Y204 PolarHBondContact O-N 3.27Å; S201-Y204 VanDerWaalsContact O-N 3.1Å; L202-Y204 VanDerWaalsContact C-N 3.26Å; L202-Y204 PolarHBondContact O-N 2.86Å; Y204-V206 VanDerWaalsContact C-N 3.3Å; Y204-V206 PolarHBondContact O-N 2.59Å; Y204-L207 PolarHBondContact O-N 3.48Å; Y204-I208 WeakPolarHBondContact O-CB 3.49Å; Y204-I208 WeakPolarHBondContact O-CD1 3.43Å; Y204-I208 VanDerWaalsContact O-CG1 3.24Å; Y204-I208 WeakPolarHBondContact O-CG1 3.33Å; Y204-I208 PolarHBondContact O-N 2.71Å; Y204-I282 VanDerWaalsContact OH-CG2 3.28Å; Y204-I282 WeakPolarHBondContact OH-CG2 3.24Å; Y204-T286 HydrophobicContact CE1-CG2 3.84Å; Y204-T286 WeakPolarHBondContact CE1-OG1 3.28Å; Y204-T286 PolarHBondContact OH-OG1 3.25Å |
| 205 | C | 96.4 | Very high | 94.9 | Very high | 70 Ų | 70 | 42.6 Ų | 42.6 | 47% | 0.473 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.7 | -46.3 | 175.2 | -64 | 0 | 0 | 0 | 0 | 110.8 | S201 L202 I208 I209 | S201-C205 PolarHBondContact O-N 3.31Å; L202-C205 WeakPolarHBondContact O-CB 3.19Å; L202-C205 PolarHBondContact O-N 2.62Å; L202-C205 VanDerWaalsContact O-N 3.1Å; C205-I208 PolarHBondContact O-N 3.1Å; C205-I209 WeakPolarHBondContact O-CG1 3.38Å; C205-I209 PolarHBondContact O-N 2.88Å; C205-I209 VanDerWaalsContact O-N 3.11Å |
| 206 | V | 96.4 | Very high | 95 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.7 | -43.5 | 179.5 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | L202 P203 Y204 I208 I209 Y210 L394 M398 | L202-V206 HydrophobicContact CG-CG2 4.35Å; L202-V206 PolarHBondContact O-N 3.34Å; P203-V206 PolarHBondContact O-N 3.49Å; Y204-V206 VanDerWaalsContact C-N 3.3Å; Y204-V206 PolarHBondContact O-N 2.59Å; V206-I208 VanDerWaalsContact C-N 3.31Å; V206-I208 PolarHBondContact O-N 2.78Å; V206-I209 PolarHBondContact O-N 2.81Å; V206-Y210 HydrophobicContact CG1-CD2 3.59Å; V206-Y210 HydrophobicContact CG1-CE2 3.87Å; V206-Y210 WeakPolarHBondContact O-CB 3.33Å; V206-Y210 WeakPolarHBondContact O-CD2 3.31Å; V206-Y210 PolarHBondContact O-N 2.87Å; V206-L394 HydrophobicContact CG1-CB 4.2Å; V206-L394 HydrophobicContact CG2-CD2 4.49Å; V206-M398 HydrophobicContact CB-CB 3.9Å; V206-M398 HydrophobicContact CB-CG 4.19Å; V206-M398 HydrophobicContact CB-SD 3.95Å; V206-M398 HydrophobicContact CG1-CB 3.71Å; V206-M398 HydrophobicContact CG1-CG 4.19Å; V206-M398 HydrophobicContact CG1-SD 3.68Å; V206-M398 HydrophobicContact CG2-CB 4.14Å |
| 207 | L | 95.7 | Very high | 95 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -37.7 | 176.7 | -73.5 | 172.7 | 0 | 0 | 0 | 112.2 | P203 Y204 Y210 L211 T286 F289 A290 V293 M398 | P203-L207 WeakPolarHBondContact O-CB 2.99Å; P203-L207 VanDerWaalsContact O-CG 3.24Å; P203-L207 WeakPolarHBondContact O-CG 3.45Å; P203-L207 PolarHBondContact O-N 2.98Å; Y204-L207 PolarHBondContact O-N 3.48Å; L207-Y210 PolarHBondContact O-N 2.73Å; L207-L211 WeakPolarHBondContact O-CB 3.4Å; L207-L211 PolarHBondContact O-N 3.36Å; L207-T286 HydrophobicContact CD1-CG2 4.42Å; L207-F289 HydrophobicContact CB-CD1 4.15Å; L207-F289 HydrophobicContact CB-CE1 3.62Å; L207-F289 HydrophobicContact CD1-CD1 4.25Å; L207-A290 HydrophobicContact CD1-CB 4.37Å; L207-A290 HydrophobicContact CD2-CB 4.35Å; L207-V293 HydrophobicContact CD2-CG1 4.45Å; L207-M398 HydrophobicContact CD2-CE 4.31Å; L207-M398 HydrophobicContact CD2-SD 3.76Å; L207-M398 HydrophobicContact CG-SD 3.76Å |
| 208 | I | 96.8 | Very high | 95.1 | Very high | 88 Ų | 88 | 48.1 Ų | 48.1 | 45% | 0.451 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 175 | -69.1 | 163.8 | 0 | 0 | 0 | 110.8 | Y204 C205 V206 Y210 L211 I212 F289 | Y204-I208 WeakPolarHBondContact O-CB 3.49Å; Y204-I208 WeakPolarHBondContact O-CD1 3.43Å; Y204-I208 VanDerWaalsContact O-CG1 3.24Å; Y204-I208 WeakPolarHBondContact O-CG1 3.33Å; Y204-I208 PolarHBondContact O-N 2.71Å; C205-I208 PolarHBondContact O-N 3.1Å; V206-I208 VanDerWaalsContact C-N 3.31Å; V206-I208 PolarHBondContact O-N 2.78Å; I208-Y210 VanDerWaalsContact C-N 3.31Å; I208-Y210 PolarHBondContact O-N 3.45Å; I208-L211 WeakPolarHBondContact O-CB 3.19Å; I208-L211 PolarHBondContact O-N 2.92Å; I208-I212 HydrophobicContact CG2-CD1 4.31Å; I208-I212 WeakPolarHBondContact O-CG1 3.47Å; I208-I212 PolarHBondContact O-N 3.28Å; I208-I212 VanDerWaalsContact O-N 3.09Å; I208-F289 HydrophobicContact CG1-CE1 4.24Å; I208-F289 HydrophobicContact CG1-CZ 3.89Å |
| 209 | I | 97 | Very high | 95.1 | Very high | 73 Ų | 73 | 43.7 Ų | 43.7 | 37% | 0.374 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.5 | -45.3 | 175.8 | -70.1 | 164.9 | 0 | 0 | 0 | 110.4 | C205 V206 L211 I212 R213 W391 L394 | C205-I209 WeakPolarHBondContact O-CG1 3.38Å; C205-I209 PolarHBondContact O-N 2.88Å; C205-I209 VanDerWaalsContact O-N 3.11Å; V206-I209 PolarHBondContact O-N 2.81Å; I209-L211 VanDerWaalsContact C-N 3.35Å; I209-L211 PolarHBondContact O-N 2.84Å; I209-I212 PolarHBondContact O-N 3.32Å; I209-R213 PolarHBondContact O-N 3.44Å; I209-W391 HydrophobicContact CG2-CH2 4.41Å; I209-W391 HydrophobicContact CG2-CZ3 3.83Å; I209-L394 HydrophobicContact CG2-CD1 4.31Å |
| 210 | Y | 95.5 | Very high | 95.1 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.6 | -31.7 | 177.4 | -97.2 | -78 | 0 | 0 | 0 | 113.6 | V206 L207 I208 G214 I297 W391 L394 Y395 | V206-Y210 HydrophobicContact CG1-CD2 3.59Å; V206-Y210 HydrophobicContact CG1-CE2 3.87Å; V206-Y210 WeakPolarHBondContact O-CB 3.33Å; V206-Y210 WeakPolarHBondContact O-CD2 3.31Å; V206-Y210 PolarHBondContact O-N 2.87Å; L207-Y210 PolarHBondContact O-N 2.73Å; I208-Y210 VanDerWaalsContact C-N 3.31Å; I208-Y210 PolarHBondContact O-N 3.45Å; Y210-G214 WeakPolarHBondContact O-CA 3.18Å; Y210-G214 PolarHBondContact O-N 3.17Å; Y210-I297 HydrophobicContact CD1-CD1 3.65Å; Y210-I297 HydrophobicContact CE1-CD1 4.14Å; Y210-W391 HydrophobicContact CE1-CE3 4.12Å; Y210-W391 HydrophobicContact CE2-CE3 4.42Å; Y210-W391 WeakPolarHBondContact OH-CA 3.48Å; Y210-W391 WeakPolarHBondContact OH-CB 3.38Å; Y210-W391 PolarHBondContact OH-O 3.45Å; Y210-L394 HydrophobicContact CE2-CB 4.12Å; Y210-Y395 WeakPolarHBondContact OH-CB 3.23Å |
| 211 | L | 96.2 | Very high | 95.2 | Very high | 35 Ų | 35 | 47.7 Ų | 47.7 | 18% | 0.183 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.7 | -49.4 | 173.2 | -179 | 63.3 | 0 | 0 | 0 | 110.6 | L207 I208 I209 R213 G214 L215 F289 I292 V293 | L207-L211 WeakPolarHBondContact O-CB 3.4Å; L207-L211 PolarHBondContact O-N 3.36Å; I208-L211 WeakPolarHBondContact O-CB 3.19Å; I208-L211 PolarHBondContact O-N 2.92Å; I209-L211 VanDerWaalsContact C-N 3.35Å; I209-L211 PolarHBondContact O-N 2.84Å; L211-R213 VanDerWaalsContact C-N 3.32Å; L211-R213 PolarHBondContact O-N 3.25Å; L211-G214 PolarHBondContact O-N 2.98Å; L211-L215 HydrophobicContact CD1-CD1 3.86Å; L211-L215 HydrophobicContact CD1-CD2 4.5Å; L211-L215 HydrophobicContact CD1-CG 3.98Å; L211-L215 HydrophobicContact CG-CD1 3.95Å; L211-L215 HydrophobicContact CG-CG 4.4Å; L211-L215 WeakPolarHBondContact O-CB 3.47Å; L211-L215 VanDerWaalsContact O-CG 3.27Å; L211-L215 WeakPolarHBondContact O-CG 3.36Å; L211-L215 PolarHBondContact O-N 3.46Å; L211-F289 HydrophobicContact CB-CZ 4.49Å; L211-F289 HydrophobicContact CD2-CE2 3.55Å; L211-F289 HydrophobicContact CD2-CZ 3.89Å; L211-I292 HydrophobicContact CD1-CG2 3.78Å; L211-V293 HydrophobicContact CB-CG2 3.81Å; L211-V293 HydrophobicContact CD1-CG2 4.05Å; L211-V293 HydrophobicContact CG-CG2 4.49Å |
| 212 | I | 96.4 | Very high | 95.2 | Very high | 111 Ų | 111 | 47.8 Ų | 47.8 | 57% | 0.569 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -58.8 | -48.9 | 179.2 | -64.5 | 167.2 | 0 | 0 | 0 | 109.3 | I208 I209 T216 | I208-I212 HydrophobicContact CG2-CD1 4.31Å; I208-I212 WeakPolarHBondContact O-CG1 3.47Å; I208-I212 PolarHBondContact O-N 3.28Å; I208-I212 VanDerWaalsContact O-N 3.09Å; I209-I212 PolarHBondContact O-N 3.32Å; I212-T216 WeakPolarHBondContact O-CG2 3.42Å; I212-T216 PolarHBondContact O-N 3.17Å |
| 213 | R | 95.4 | Very high | 95.1 | Very high | 49 Ų | 49 | 46.3 Ų | 46.3 | 19% | 0.185 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.3 | -49.8 | 177.6 | -178.3 | 55.6 | 171.4 | 165.3 | -8.7 | 111.8 | I209 L211 L215 T216 L217 M385 E386 W391 | I209-R213 PolarHBondContact O-N 3.44Å; L211-R213 VanDerWaalsContact C-N 3.32Å; L211-R213 PolarHBondContact O-N 3.25Å; R213-L215 VanDerWaalsContact C-N 3.31Å; R213-L215 PolarHBondContact O-N 3.04Å; R213-T216 PolarHBondContact O-N 3.26Å; R213-T216 PolarHBondContact O-OG1 2.81Å; R213-L217 WeakPolarHBondContact O-CG 3.08Å; R213-L217 PolarHBondContact O-N 3.31Å; R213-M385 HydrophobicContact CG-SD 4.49Å; R213-E386 IonicContact NH2-OE2 3.7Å; R213-W391 HydrophobicContact CB-CE3 4.45Å; R213-W391 HydrophobicContact CB-CH2 3.47Å; R213-W391 VanDerWaalsContact CB-CH2 3.47Å; R213-W391 HydrophobicContact CB-CZ2 4.15Å; R213-W391 HydrophobicContact CB-CZ3 3.61Å; R213-W391 HydrophobicContact CG-CD2 4.4Å; R213-W391 HydrophobicContact CG-CE3 4.23Å; R213-W391 HydrophobicContact CG-CH2 3.46Å; R213-W391 VanDerWaalsContact CG-CH2 3.46Å; R213-W391 HydrophobicContact CG-CZ2 3.61Å; R213-W391 HydrophobicContact CG-CZ3 3.76Å |
| 214 | G | 93.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.2 | -43.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y210 L211 T216 L217 A220 S296 | Y210-G214 WeakPolarHBondContact O-CA 3.18Å; Y210-G214 PolarHBondContact O-N 3.17Å; L211-G214 PolarHBondContact O-N 2.98Å; G214-T216 VanDerWaalsContact C-N 3.3Å; G214-T216 PolarHBondContact O-N 3.11Å; G214-L217 PolarHBondContact O-N 3.08Å; G214-A220 WeakPolarHBondContact O-CB 3.43Å; G214-S296 WeakPolarHBondContact CA-OG 3.43Å |
| 215 | L | 95.7 | Very high | 95 | Very high | 94 Ų | 94 | 51.1 Ų | 51.1 | 49% | 0.492 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.9 | -24.1 | 177 | -66.9 | 176.6 | 0 | 0 | 0 | 114 | L211 R213 L224 | L211-L215 HydrophobicContact CD1-CD1 3.86Å; L211-L215 HydrophobicContact CD1-CD2 4.5Å; L211-L215 HydrophobicContact CD1-CG 3.98Å; L211-L215 HydrophobicContact CG-CD1 3.95Å; L211-L215 HydrophobicContact CG-CG 4.4Å; L211-L215 WeakPolarHBondContact O-CB 3.47Å; L211-L215 VanDerWaalsContact O-CG 3.27Å; L211-L215 WeakPolarHBondContact O-CG 3.36Å; L211-L215 PolarHBondContact O-N 3.46Å; R213-L215 VanDerWaalsContact C-N 3.31Å; R213-L215 PolarHBondContact O-N 3.04Å; L215-L224 HydrophobicContact CD2-CD1 3.63Å |
| 216 | T | 95.1 | Very high | 94.8 | Very high | 92 Ų | 92 | 49.3 Ų | 49.3 | 56% | 0.564 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -82.9 | -11.2 | 174.9 | 62.9 | 0 | 0 | 0 | 0 | 113.8 | I212 R213 G214 | I212-T216 WeakPolarHBondContact O-CG2 3.42Å; I212-T216 PolarHBondContact O-N 3.17Å; R213-T216 PolarHBondContact O-N 3.26Å; R213-T216 PolarHBondContact O-OG1 2.81Å; G214-T216 VanDerWaalsContact C-N 3.3Å; G214-T216 PolarHBondContact O-N 3.11Å |
| 217 | L | 94.3 | Very high | 94.6 | Very high | 18 Ų | 18 | 49.1 Ų | 49.1 | 9% | 0.094 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -78.2 | 143.4 | -179.9 | -67 | 171.4 | 0 | 0 | 0 | 111.3 | R213 G214 G219 A220 F300 M385 | R213-L217 WeakPolarHBondContact O-CG 3.08Å; R213-L217 PolarHBondContact O-N 3.31Å; G214-L217 PolarHBondContact O-N 3.08Å; L217-G219 PolarHBondContact O-N 3.41Å; L217-A220 VanDerWaalsContact O-CB 3.3Å; L217-A220 WeakPolarHBondContact O-CB 3.27Å; L217-A220 PolarHBondContact O-N 2.77Å; L217-F300 HydrophobicContact CB-CB 3.89Å; L217-F300 HydrophobicContact CB-CD2 3.88Å; L217-F300 HydrophobicContact CB-CG 3.94Å; L217-F300 HydrophobicContact CD1-CB 4.17Å; L217-F300 HydrophobicContact CD1-CD1 4Å; L217-F300 HydrophobicContact CD1-CD2 4.5Å; L217-F300 HydrophobicContact CD1-CG 3.97Å; L217-F300 HydrophobicContact CD2-CD2 4.35Å; L217-F300 HydrophobicContact CD2-CE2 4.33Å; L217-F300 HydrophobicContact CG-CD2 4.46Å; L217-F300 HydrophobicContact CG-CG 4.38Å; L217-M385 HydrophobicContact CD1-CE 3.59Å; L217-M385 HydrophobicContact CD1-CG 4.41Å; L217-M385 HydrophobicContact CD1-SD 4.1Å; L217-M385 HydrophobicContact CD2-CG 4.49Å |
| 218 | H | 93.8 | Very high | 94.5 | Very high | 122 Ų | 122 | 54 Ų | 54 | 57% | 0.565 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 134.2 | 176.9 | 179.9 | 57 | 0 | 0 | 0 | 111.1 | A220 F300 E307 | H218-A220 VanDerWaalsContact C-N 3.3Å; H218-A220 PolarHBondContact O-N 3.28Å; H218-F300 WeakPolarHBondContact O-CA 3.42Å; H218-F300 WeakPolarHBondContact O-CD2 3.24Å; H218-E307 IonicContact CD2-OE1 3.48Å; H218-E307 IonicContact NE2-OE1 3.56Å; H218-E307 PolarHBondContact NE2-OE1 3.4Å |
| 219 | G | 92.6 | Very high | 94.3 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 2.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | L217 T221 N222 G299 T303 | L217-G219 PolarHBondContact O-N 3.41Å; G219-T221 PolarHBondContact O-N 3.29Å; G219-N222 WeakPolarHBondContact O-CB 3.39Å; G219-N222 PolarHBondContact O-N 3.35Å; G219-N222 VanDerWaalsContact O-N 3.15Å; G219-G299 CarbonylContact O-C 3.6Å; G219-G299 WeakPolarHBondContact O-CA 3.19Å; G219-T303 WeakPolarHBondContact CA-OG1 3.37Å |
| 220 | A | 94.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59 | -35.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G214 L217 H218 N222 G223 L224 S296 | G214-A220 WeakPolarHBondContact O-CB 3.43Å; L217-A220 VanDerWaalsContact O-CB 3.3Å; L217-A220 WeakPolarHBondContact O-CB 3.27Å; L217-A220 PolarHBondContact O-N 2.77Å; H218-A220 VanDerWaalsContact C-N 3.3Å; H218-A220 PolarHBondContact O-N 3.28Å; A220-N222 VanDerWaalsContact C-N 3.29Å; A220-N222 PolarHBondContact O-N 3.33Å; A220-G223 PolarHBondContact O-N 2.92Å; A220-L224 PolarHBondContact O-N 3.38Å; A220-S296 WeakPolarHBondContact CA-O 3.28Å |
| 221 | T | 94.2 | Very high | 93.9 | Very high | 92 Ų | 92 | 56.7 Ų | 56.7 | 56% | 0.564 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.6 | -35.1 | 177.4 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | G219 G223 L224 M225 | G219-T221 PolarHBondContact O-N 3.29Å; T221-G223 PolarHBondContact O-N 3.17Å; T221-L224 PolarHBondContact O-N 3.31Å; T221-M225 WeakPolarHBondContact O-CB 3.43Å; T221-M225 VanDerWaalsContact O-CG 3.3Å; T221-M225 WeakPolarHBondContact O-CG 3.3Å; T221-M225 PolarHBondContact O-N 3.36Å |
| 222 | N | 93.7 | Very high | 93.6 | Very high | 52 Ų | 52 | 61 Ų | 61 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 179.1 | -64.4 | -28.8 | 0 | 0 | 0 | 111.2 | G219 A220 Y226 T303 L360 | G219-N222 WeakPolarHBondContact O-CB 3.39Å; G219-N222 PolarHBondContact O-N 3.35Å; G219-N222 VanDerWaalsContact O-N 3.15Å; A220-N222 VanDerWaalsContact C-N 3.29Å; A220-N222 PolarHBondContact O-N 3.33Å; N222-Y226 WeakPolarHBondContact O-CB 3.39Å; N222-Y226 PolarHBondContact O-N 2.74Å; N222-T303 PolarHBondContact ND2-OG1 3.36Å; N222-L360 HydrophobicContact CB-CD2 4.41Å |
| 223 | G | 93.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.4 | -38 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | A220 T221 Y226 M227 F295 | A220-G223 PolarHBondContact O-N 2.92Å; T221-G223 PolarHBondContact O-N 3.17Å; G223-Y226 WeakPolarHBondContact O-CB 3.27Å; G223-Y226 PolarHBondContact O-N 3.05Å; G223-M227 PolarHBondContact O-N 3.45Å; G223-F295 WeakPolarHBondContact CA-O 3.35Å |
| 224 | L | 94.9 | Very high | 93.1 | Very high | 30 Ų | 30 | 63.9 Ų | 63.9 | 16% | 0.157 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68 | -41.3 | 175.1 | -66.5 | 178.6 | 0 | 0 | 0 | 112.4 | L215 A220 T221 Y226 M227 F228 I292 F295 | L215-L224 HydrophobicContact CD2-CD1 3.63Å; A220-L224 PolarHBondContact O-N 3.38Å; T221-L224 PolarHBondContact O-N 3.31Å; L224-Y226 VanDerWaalsContact C-N 3.3Å; L224-Y226 PolarHBondContact O-N 3.12Å; L224-M227 PolarHBondContact O-N 3.31Å; L224-F228 VanDerWaalsContact O-CD2 3.31Å; L224-F228 WeakPolarHBondContact O-CD2 3.48Å; L224-F228 PolarHBondContact O-N 3.05Å; L224-I292 HydrophobicContact CD2-CB 4.48Å; L224-I292 HydrophobicContact CD2-CG2 3.87Å; L224-F295 HydrophobicContact CD2-CB 4.36Å |
| 225 | M | 93.9 | Very high | 92.9 | Very high | 124 Ų | 124 | 66.2 Ų | 66.2 | 61% | 0.611 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.6 | -43.2 | 173.3 | -75.8 | 179.4 | 63.8 | 0 | 0 | 110.8 | T221 M227 F228 T229 | T221-M225 WeakPolarHBondContact O-CB 3.43Å; T221-M225 VanDerWaalsContact O-CG 3.3Å; T221-M225 WeakPolarHBondContact O-CG 3.3Å; T221-M225 PolarHBondContact O-N 3.36Å; M225-M227 PolarHBondContact O-N 2.66Å; M225-F228 PolarHBondContact O-N 3.46Å; M225-T229 WeakPolarHBondContact O-CB 3.32Å; M225-T229 PolarHBondContact O-N 3.42Å; M225-T229 PolarHBondContact O-OG1 3.1Å |
| 226 | Y | 91.8 | Very high | 92.7 | Very high | 31 Ų | 31 | 65.9 Ų | 65.9 | 12% | 0.122 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 173.9 | -178.1 | -84.8 | 0 | 0 | 0 | 111.7 | Q36 N222 G223 L224 F228 F295 L364 D365 | Q36-Y226 HydrophobicContact CG-CE1 3.88Å; N222-Y226 WeakPolarHBondContact O-CB 3.39Å; N222-Y226 PolarHBondContact O-N 2.74Å; G223-Y226 WeakPolarHBondContact O-CB 3.27Å; G223-Y226 PolarHBondContact O-N 3.05Å; L224-Y226 VanDerWaalsContact C-N 3.3Å; L224-Y226 PolarHBondContact O-N 3.12Å; Y226-F228 PolarHBondContact O-N 3.46Å; Y226-F295 HydrophobicContact CD1-CD1 4.29Å; Y226-F295 AromaticContact CD1-CE1 3.77Å; Y226-F295 HydrophobicContact CD1-CE1 3.77Å; Y226-F295 HydrophobicContact CE1-CE1 4.13Å; Y226-L364 HydrophobicContact CD2-CB 3.99Å; Y226-L364 HydrophobicContact CD2-CD1 4.4Å; Y226-L364 HydrophobicContact CE2-CB 4.28Å; Y226-L364 HydrophobicContact CG-CB 4.41Å; Y226-D365 VanDerWaalsContact CE2-OD1 3.31Å; Y226-D365 WeakPolarHBondContact CE2-OD1 3.48Å; Y226-D365 PolarHBondContact OH-OD1 2.88Å |
| 227 | M | 92.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.9 | -43 | 178.4 | -177.8 | -176.2 | 164.9 | 0 | 0 | 112.6 | G40 G41 G223 L224 M225 I292 F295 | G40-M227 CarbonylContact C-O 3.34Å; G40-M227 VanDerWaalsContact C-O 3.28Å; G40-M227 WeakPolarHBondContact CA-O 3.34Å; G41-M227 WeakPolarHBondContact CA-O 3.23Å; G41-M227 PolarHBondContact N-O 3.2Å; G223-M227 PolarHBondContact O-N 3.45Å; L224-M227 PolarHBondContact O-N 3.31Å; M225-M227 PolarHBondContact O-N 2.66Å; M227-I292 HydrophobicContact CE-CG1 4.16Å; M227-I292 HydrophobicContact SD-CG1 4.19Å; M227-F295 HydrophobicContact CB-CB 4.11Å; M227-F295 HydrophobicContact CB-CD1 3.88Å; M227-F295 HydrophobicContact CB-CD2 3.87Å; M227-F295 HydrophobicContact CB-CE1 4.24Å; M227-F295 HydrophobicContact CB-CE2 4.24Å; M227-F295 HydrophobicContact CB-CG 3.69Å; M227-F295 HydrophobicContact CB-CZ 4.4Å; M227-F295 HydrophobicContact CG-CD2 3.69Å; M227-F295 HydrophobicContact CG-CE2 3.89Å; M227-F295 HydrophobicContact CG-CG 4.05Å; M227-F295 HydrophobicContact CG-CZ 4.4Å; M227-F295 HydrophobicContact SD-CB 4.21Å; M227-F295 HydrophobicContact SD-CD2 3.51Å; M227-F295 VanDerWaalsContact SD-CD2 3.51Å; M227-F295 HydrophobicContact SD-CE2 4.13Å; M227-F295 HydrophobicContact SD-CG 4.05Å |
| 228 | F | 94.1 | Very high | 92.1 | Very high | 106 Ų | 106 | 66 Ų | 66 | 47% | 0.465 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -92.4 | -5.3 | -173.2 | -72.1 | -66 | 0 | 0 | 0 | 114.7 | L44 L224 M225 Y226 P230 I292 | L44-F228 HydrophobicContact CD1-CE1 4.44Å; L224-F228 VanDerWaalsContact O-CD2 3.31Å; L224-F228 WeakPolarHBondContact O-CD2 3.48Å; L224-F228 PolarHBondContact O-N 3.05Å; M225-F228 PolarHBondContact O-N 3.46Å; Y226-F228 PolarHBondContact O-N 3.46Å; F228-P230 WeakPolarHBondContact O-CD 3.33Å; F228-I292 HydrophobicContact CE2-CG1 4.4Å; F228-I292 HydrophobicContact CZ-CD1 4.25Å; F228-I292 HydrophobicContact CZ-CG1 4.08Å |
| 229 | T | 92.3 | Very high | 91.8 | Very high | 83 Ų | 83 | 63.7 Ų | 63.7 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -84.6 | 108.6 | 177 | -58.9 | 0 | 0 | 0 | 0 | 110 | M225 K231 | M225-T229 WeakPolarHBondContact O-CB 3.32Å; M225-T229 PolarHBondContact O-N 3.42Å; M225-T229 PolarHBondContact O-OG1 3.1Å; T229-K231 PolarHBondContact O-N 2.93Å |
| 230 | P | 92.4 | Very high | 91.7 | Very high | 60 Ų | 60 | 63.4 Ų | 63.4 | 39% | 0.39 | 34% | 0.338 | S | S | . | . | trans | -78.2 | 121.7 | -174.5 | 31.1 | -34 | 0 | 0 | 0 | 112 | F228 M232 | F228-P230 WeakPolarHBondContact O-CD 3.33Å; P230-M232 HydrophobicContact CB-CE 3.87Å; P230-M232 HydrophobicContact CB-SD 4.42Å; P230-M232 HydrophobicContact CG-CE 3.6Å; P230-M232 PolarHBondContact O-N 3.2Å | ||
| 231 | K | 90.7 | Very high | 91.5 | Very high | 79 Ų | 79 | 66.9 Ų | 66.9 | 34% | 0.343 | 35% | 0.351 | S | S | . | . | trans | -83.9 | 95.9 | 167.8 | -61.8 | -178 | -180 | 175.8 | 0 | 109.1 | G39 S42 T229 E233 Q234 D365 | G39-K231 PolarHBondContact O-N 3.27Å; S42-K231 PolarHBondContact OG-N 3.21Å; S42-K231 PolarHBondContact OG-O 3.23Å; T229-K231 PolarHBondContact O-N 2.93Å; K231-E233 PolarHBondContact O-N 3.43Å; K231-E233 VanDerWaalsContact O-N 3.16Å; K231-Q234 HydrophobicContact CB-CG 4.24Å; K231-Q234 WeakPolarHBondContact O-CB 3.42Å; K231-Q234 PolarHBondContact O-N 3.36Å; K231-D365 IonicContact NZ-OD1 2.74Å; K231-D365 PolarHBondContact NZ-OD1 3.38Å | ||
| 232 | M | 90.4 | Very high | 91.2 | Very high | 127 Ų | 127 | 63.1 Ų | 63.1 | 63% | 0.626 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -59.9 | -28.2 | -170.8 | -65 | -59.9 | 172.3 | 0 | 0 | 114.1 | P230 Q234 L235 | P230-M232 HydrophobicContact CB-CE 3.87Å; P230-M232 HydrophobicContact CB-SD 4.42Å; P230-M232 HydrophobicContact CG-CE 3.6Å; P230-M232 PolarHBondContact O-N 3.2Å; M232-Q234 PolarHBondContact O-N 2.96Å; M232-L235 WeakPolarHBondContact O-CB 3.44Å; M232-L235 PolarHBondContact O-N 3.15Å; M232-L235 VanDerWaalsContact O-N 3.09Å; M232-L235 HydrophobicContact SD-CD1 3.93Å |
| 233 | E | 90.6 | Very high | 90.9 | Very high | 167 Ų | 167 | 62.6 Ų | 62.6 | 78% | 0.78 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -57.9 | -31.3 | 176.6 | -62.1 | 176.5 | -179.7 | 0 | 0 | 112.4 | K231 L235 A236 | K231-E233 PolarHBondContact O-N 3.43Å; K231-E233 VanDerWaalsContact O-N 3.16Å; E233-L235 VanDerWaalsContact C-N 3.28Å; E233-L235 PolarHBondContact O-N 3.01Å; E233-A236 PolarHBondContact O-N 3.42Å |
| 234 | Q | 89.9 | Confident | 90.9 | Very high | 53 Ų | 53 | 62.6 Ų | 62.6 | 25% | 0.248 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -71.8 | -19.9 | 179.9 | -64.5 | -62.4 | -23.2 | 0 | 0 | 113.3 | Y38 K231 M232 A236 N237 | Y38-Q234 WeakPolarHBondContact O-CB 3.39Å; K231-Q234 HydrophobicContact CB-CG 4.24Å; K231-Q234 WeakPolarHBondContact O-CB 3.42Å; K231-Q234 PolarHBondContact O-N 3.36Å; M232-Q234 PolarHBondContact O-N 2.96Å; Q234-A236 VanDerWaalsContact C-N 3.27Å; Q234-A236 PolarHBondContact O-N 2.9Å; Q234-N237 WeakPolarHBondContact O-CB 3.29Å; Q234-N237 PolarHBondContact O-N 2.88Å |
| 235 | L | 90.2 | Very high | 90.7 | Very high | 49 Ų | 49 | 61.1 Ų | 61.1 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -70.2 | -26.5 | 175.4 | -68.6 | 174.2 | 0 | 0 | 0 | 112.6 | S42 V45 M232 E233 N237 W241 | S42-L235 WeakPolarHBondContact O-CD2 3.16Å; V45-L235 HydrophobicContact CB-CD2 4.18Å; M232-L235 WeakPolarHBondContact O-CB 3.44Å; M232-L235 PolarHBondContact O-N 3.15Å; M232-L235 VanDerWaalsContact O-N 3.09Å; M232-L235 HydrophobicContact SD-CD1 3.93Å; E233-L235 VanDerWaalsContact C-N 3.28Å; E233-L235 PolarHBondContact O-N 3.01Å; L235-N237 VanDerWaalsContact C-N 3.26Å; L235-W241 PolarHBondContact O-NE1 3.02Å |
| 236 | A | 91.3 | Very high | 90.4 | Very high | 87 Ų | 87 | 55.6 Ų | 55.6 | 72% | 0.719 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -77.5 | -14.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E233 Q234 P238 | E233-A236 PolarHBondContact O-N 3.42Å; Q234-A236 VanDerWaalsContact C-N 3.27Å; Q234-A236 PolarHBondContact O-N 2.9Å; A236-P238 VanDerWaalsContact O-CD 3.29Å; A236-P238 WeakPolarHBondContact O-CD 3.16Å |
| 237 | N | 89.5 | Confident | 90.4 | Very high | 49 Ų | 49 | 54.1 Ų | 54.1 | 26% | 0.262 | 29% | 0.285 | S | S | . | . | trans | -77.4 | 113.8 | 179.1 | -174 | -9.8 | 0 | 0 | 0 | 110.3 | Q234 L235 K239 A240 | Q234-N237 WeakPolarHBondContact O-CB 3.29Å; Q234-N237 PolarHBondContact O-N 2.88Å; L235-N237 VanDerWaalsContact C-N 3.26Å; N237-K239 PolarHBondContact O-N 3.35Å; N237-K239 WeakPolarHBondContact OD1-CB 3.21Å; N237-K239 PolarHBondContact OD1-N 2.88Å; N237-A240 WeakPolarHBondContact O-CB 3.41Å; N237-A240 PolarHBondContact O-N 3.17Å | ||
| 238 | P | 86.8 | Confident | 90.4 | Very high | 64 Ų | 64 | 54.1 Ų | 54.1 | 42% | 0.416 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.6 | -24.4 | -179.1 | 27.5 | -35.6 | 0 | 0 | 0 | 112.7 | A236 A240 W241 V242 F523 | A236-P238 VanDerWaalsContact O-CD 3.29Å; A236-P238 WeakPolarHBondContact O-CD 3.16Å; P238-A240 PolarHBondContact O-N 3.42Å; P238-W241 PolarHBondContact O-N 2.93Å; P238-V242 WeakPolarHBondContact O-CG2 3.14Å; P238-V242 PolarHBondContact O-N 3.48Å; P238-V242 VanDerWaalsContact O-N 3.15Å; P238-F523 HydrophobicContact CB-CD2 4.14Å; P238-F523 HydrophobicContact CB-CE1 4.44Å; P238-F523 HydrophobicContact CB-CE2 3.41Å; P238-F523 VanDerWaalsContact CB-CE2 3.41Å; P238-F523 HydrophobicContact CB-CZ 3.59Å; P238-F523 HydrophobicContact CG-CE2 3.47Å; P238-F523 VanDerWaalsContact CG-CE2 3.47Å; P238-F523 HydrophobicContact CG-CZ 3.55Å |
| 239 | K | 87.7 | Confident | 90.2 | Very high | 73 Ų | 73 | 49.1 Ų | 49.1 | 32% | 0.317 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.2 | -31.2 | 174.5 | -61.8 | -170 | 178.3 | -153.8 | 0 | 112.2 | Y38 N237 W241 V242 N243 F523 D527 | Y38-K239 HydrophobicContact CE1-CB 4.06Å; N237-K239 PolarHBondContact O-N 3.35Å; N237-K239 WeakPolarHBondContact OD1-CB 3.21Å; N237-K239 PolarHBondContact OD1-N 2.88Å; K239-W241 VanDerWaalsContact C-N 3.34Å; K239-W241 PolarHBondContact O-N 3.11Å; K239-V242 PolarHBondContact O-N 3.24Å; K239-N243 WeakPolarHBondContact O-CB 3.36Å; K239-N243 PolarHBondContact O-N 2.97Å; K239-N243 PolarHBondContact O-ND2 3.44Å; K239-F523 HydrophobicContact CG-CE1 4.19Å; K239-F523 HydrophobicContact CG-CZ 4.1Å; K239-D527 WeakPolarHBondContact CE-OD1 3.47Å; K239-D527 VanDerWaalsContact NZ-CG 3.32Å; K239-D527 IonicContact NZ-OD1 3.37Å; K239-D527 PolarHBondContact NZ-OD1 3.16Å; K239-D527 IonicContact NZ-OD2 2.84Å; K239-D527 PolarHBondContact NZ-OD2 2.69Å; K239-D527 VanDerWaalsContact NZ-OD2 3.12Å |
| 240 | A | 90.4 | Very high | 90.1 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y38 N237 P238 A244 | Y38-A240 HydrophobicContact CD1-CB 3.64Å; Y38-A240 HydrophobicContact CE1-CB 4.27Å; Y38-A240 HydrophobicContact CG-CB 3.94Å; N237-A240 WeakPolarHBondContact O-CB 3.41Å; N237-A240 PolarHBondContact O-N 3.17Å; P238-A240 PolarHBondContact O-N 3.42Å; A240-A244 VanDerWaalsContact O-CB 3.3Å; A240-A244 WeakPolarHBondContact O-CB 3.41Å; A240-A244 PolarHBondContact O-N 3.25Å |
| 241 | W | 90.5 | Very high | 90.1 | Very high | 77 Ų | 77 | 43.5 Ų | 43.5 | 29% | 0.292 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.6 | -42 | 178.7 | -68.6 | 87 | 0 | 0 | 0 | 112.6 | P46 I49 M50 L235 P238 K239 A244 A245 | P46-W241 HydrophobicContact CB-CD2 3.6Å; P46-W241 HydrophobicContact CB-CE3 3.44Å; P46-W241 VanDerWaalsContact CB-CE3 3.44Å; P46-W241 HydrophobicContact CB-CG 4.2Å; P46-W241 HydrophobicContact CB-CH2 4.14Å; P46-W241 HydrophobicContact CB-CZ2 4.25Å; P46-W241 HydrophobicContact CB-CZ3 3.74Å; I49-W241 HydrophobicContact CB-CZ3 4.35Å; I49-W241 HydrophobicContact CD1-CH2 3.82Å; I49-W241 HydrophobicContact CD1-CZ3 4.13Å; I49-W241 HydrophobicContact CG2-CZ3 4.2Å; M50-W241 HydrophobicContact CE-CB 4.49Å; M50-W241 HydrophobicContact CE-CE3 3.8Å; L235-W241 PolarHBondContact O-NE1 3.02Å; P238-W241 PolarHBondContact O-N 2.93Å; K239-W241 VanDerWaalsContact C-N 3.34Å; K239-W241 PolarHBondContact O-N 3.11Å; W241-A244 PolarHBondContact O-N 2.94Å; W241-A245 PolarHBondContact O-N 2.81Å |
| 242 | V | 87.3 | Confident | 90.2 | Very high | 12 Ų | 12 | 39.8 Ų | 39.8 | 7% | 0.073 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.8 | -43.2 | 177.6 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | P238 K239 A244 A245 T246 L520 F523 | P238-V242 WeakPolarHBondContact O-CG2 3.14Å; P238-V242 PolarHBondContact O-N 3.48Å; P238-V242 VanDerWaalsContact O-N 3.15Å; K239-V242 PolarHBondContact O-N 3.24Å; V242-A244 VanDerWaalsContact C-N 3.33Å; V242-A244 PolarHBondContact O-N 2.95Å; V242-A245 PolarHBondContact O-N 3.42Å; V242-T246 WeakPolarHBondContact O-CB 3.37Å; V242-T246 PolarHBondContact O-N 3.48Å; V242-T246 PolarHBondContact O-OG1 3.39Å; V242-L520 HydrophobicContact CB-CD2 4.2Å; V242-L520 HydrophobicContact CG1-CD2 4.49Å; V242-L520 HydrophobicContact CG2-CD2 3.66Å; V242-F523 HydrophobicContact CB-CD1 4.11Å; V242-F523 HydrophobicContact CB-CE1 4.33Å; V242-F523 HydrophobicContact CG1-CD1 4.36Å; V242-F523 HydrophobicContact CG2-CB 4.26Å; V242-F523 HydrophobicContact CG2-CD1 3.18Å; V242-F523 HydrophobicContact CG2-CE1 3.68Å; V242-F523 HydrophobicContact CG2-CG 3.86Å |
| 243 | N | 88.6 | Confident | 90.3 | Very high | 41 Ų | 41 | 33.8 Ų | 33.8 | 22% | 0.219 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.4 | -33.7 | 176.2 | -78 | -76.4 | 0 | 0 | 0 | 112.4 | L34 Y38 F43 K239 Q247 | L34-N243 HydrophobicContact CD2-CB 4.14Å; Y38-N243 HydrophobicContact CE2-CB 3.83Å; Y38-N243 PolarHBondContact OH-ND2 3.38Å; F43-N243 HydrophobicContact CE2-CB 4.48Å; K239-N243 WeakPolarHBondContact O-CB 3.36Å; K239-N243 PolarHBondContact O-N 2.97Å; K239-N243 PolarHBondContact O-ND2 3.44Å; N243-Q247 WeakPolarHBondContact O-CB 3.3Å; N243-Q247 PolarHBondContact O-N 3.36Å |
| 244 | A | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.4 | -48.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F43 P46 A240 W241 V242 Q247 I248 | F43-A244 HydrophobicContact CE2-CB 3.8Å; F43-A244 HydrophobicContact CZ-CB 4.04Å; P46-A244 HydrophobicContact CB-CB 3.92Å; P46-A244 HydrophobicContact CG-CB 4.21Å; A240-A244 VanDerWaalsContact O-CB 3.3Å; A240-A244 WeakPolarHBondContact O-CB 3.41Å; A240-A244 PolarHBondContact O-N 3.25Å; W241-A244 PolarHBondContact O-N 2.94Å; V242-A244 VanDerWaalsContact C-N 3.33Å; V242-A244 PolarHBondContact O-N 2.95Å; A244-Q247 PolarHBondContact O-N 2.92Å; A244-I248 WeakPolarHBondContact O-CG1 3.31Å; A244-I248 PolarHBondContact O-N 3.4Å; A244-I248 VanDerWaalsContact O-N 3.1Å |
| 245 | A | 90.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.8 | -47.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M50 W241 V242 Q247 I248 F249 L520 | M50-A245 HydrophobicContact CB-CB 4.44Å; M50-A245 HydrophobicContact CE-CB 4.29Å; M50-A245 HydrophobicContact CG-CB 4Å; M50-A245 HydrophobicContact SD-CB 4Å; W241-A245 PolarHBondContact O-N 2.81Å; V242-A245 PolarHBondContact O-N 3.42Å; A245-Q247 VanDerWaalsContact C-N 3.26Å; A245-Q247 PolarHBondContact O-N 2.74Å; A245-I248 WeakPolarHBondContact O-CA 3.12Å; A245-I248 WeakPolarHBondContact O-CB 3.44Å; A245-I248 PolarHBondContact O-N 3.18Å; A245-F249 WeakPolarHBondContact O-CD1 3.47Å; A245-F249 PolarHBondContact O-N 3.18Å; A245-L520 HydrophobicContact CB-CD1 3.39Å; A245-L520 HydrophobicContact CB-CD2 4.04Å; A245-L520 HydrophobicContact CB-CG 4.38Å |
| 246 | T | 87.3 | Confident | 90.6 | Very high | 7 Ų | 7 | 21.2 Ų | 21.2 | 4% | 0.043 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.6 | -40.6 | 176.9 | -49.2 | 0 | 0 | 0 | 0 | 111 | V242 I248 F249 F250 T466 | V242-T246 WeakPolarHBondContact O-CB 3.37Å; V242-T246 PolarHBondContact O-N 3.48Å; V242-T246 PolarHBondContact O-OG1 3.39Å; T246-I248 VanDerWaalsContact C-N 3.33Å; T246-I248 PolarHBondContact O-N 3.34Å; T246-F249 PolarHBondContact O-N 3.09Å; T246-F250 HydrophobicContact CG2-CD2 3.74Å; T246-F250 HydrophobicContact CG2-CE2 3.63Å; T246-F250 WeakPolarHBondContact O-CD2 3.45Å; T246-F250 PolarHBondContact O-N 3.43Å; T246-T466 HydrophobicContact CG2-CG2 3.81Å |
| 247 | Q | 92 | Very high | 90.7 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.4 | -38.8 | 175.3 | 179.6 | 62.1 | 24.2 | 0 | 0 | 112.1 | G26 R30 F31 L34 Y47 N243 A244 A245 S251 | G26-Q247 PolarHBondContact O-NE2 2.96Å; R30-Q247 VanDerWaalsContact CD-OE1 3.23Å; F31-Q247 HydrophobicContact CD2-CG 3.98Å; L34-Q247 HydrophobicContact CD1-CB 3.92Å; L34-Q247 HydrophobicContact CD1-CG 4.09Å; Y47-Q247 HydrophobicContact CE2-CG 4.1Å; N243-Q247 WeakPolarHBondContact O-CB 3.3Å; N243-Q247 PolarHBondContact O-N 3.36Å; A244-Q247 PolarHBondContact O-N 2.92Å; A245-Q247 VanDerWaalsContact C-N 3.26Å; A245-Q247 PolarHBondContact O-N 2.74Å; Q247-S251 WeakPolarHBondContact O-CB 3.27Å; Q247-S251 PolarHBondContact O-N 3.32Å |
| 248 | I | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 173.8 | -69.3 | -70.5 | 0 | 0 | 0 | 111 | Y47 M50 L51 G55 A244 A245 T246 S251 L252 | Y47-I248 HydrophobicContact CD2-CD1 3.68Å; Y47-I248 HydrophobicContact CD2-CG1 3.88Å; Y47-I248 HydrophobicContact CE1-CD1 4.31Å; Y47-I248 HydrophobicContact CE2-CD1 3.18Å; Y47-I248 HydrophobicContact CE2-CG1 3.74Å; Y47-I248 HydrophobicContact CG-CD1 4.44Å; M50-I248 HydrophobicContact CB-CG1 4.29Å; L51-I248 HydrophobicContact CB-CD1 3.75Å; L51-I248 HydrophobicContact CD1-CD1 3.84Å; L51-I248 HydrophobicContact CG-CD1 4.4Å; G55-I248 VanDerWaalsContact CA-CG2 3.48Å; A244-I248 WeakPolarHBondContact O-CG1 3.31Å; A244-I248 PolarHBondContact O-N 3.4Å; A244-I248 VanDerWaalsContact O-N 3.1Å; A245-I248 WeakPolarHBondContact O-CA 3.12Å; A245-I248 WeakPolarHBondContact O-CB 3.44Å; A245-I248 PolarHBondContact O-N 3.18Å; T246-I248 VanDerWaalsContact C-N 3.33Å; T246-I248 PolarHBondContact O-N 3.34Å; I248-S251 PolarHBondContact O-N 3.38Å; I248-L252 HydrophobicContact CG2-CD1 3.82Å; I248-L252 HydrophobicContact CG2-CG 4.4Å; I248-L252 WeakPolarHBondContact O-CB 3.35Å; I248-L252 PolarHBondContact O-N 3.47Å |
| 249 | F | 91.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 0% | 0.004 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -65.8 | -47.2 | -178.8 | -67.9 | 4.9 | 0 | 0 | 0 | 111.4 | E54 L58 A245 T246 G253 L254 L470 I517 | E54-F249 HydrophobicContact CB-CE1 4.03Å; E54-F249 WeakPolarHBondContact OE2-CZ 3.15Å; L58-F249 HydrophobicContact CD1-CE1 3.87Å; L58-F249 HydrophobicContact CD1-CZ 4.07Å; A245-F249 WeakPolarHBondContact O-CD1 3.47Å; A245-F249 PolarHBondContact O-N 3.18Å; T246-F249 PolarHBondContact O-N 3.09Å; F249-G253 WeakPolarHBondContact O-CA 3.28Å; F249-G253 PolarHBondContact O-N 3.19Å; F249-L254 HydrophobicContact CD1-CD1 3.78Å; F249-L254 HydrophobicContact CE1-CD1 4.27Å; F249-L254 PolarHBondContact O-N 3.44Å; F249-L470 HydrophobicContact CD2-CD2 3.8Å; F249-L470 HydrophobicContact CE2-CD2 3.52Å; F249-I517 HydrophobicContact CZ-CG1 4.08Å |
| 250 | F | 88.8 | Confident | 91.6 | Very high | 19 Ų | 19 | 8.2 Ų | 8.2 | 8% | 0.083 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -64.9 | -41.3 | 175.1 | -84.4 | -78.6 | 0 | 0 | 0 | 112.7 | T246 G253 F256 A465 L469 | T246-F250 HydrophobicContact CG2-CD2 3.74Å; T246-F250 HydrophobicContact CG2-CE2 3.63Å; T246-F250 WeakPolarHBondContact O-CD2 3.45Å; T246-F250 PolarHBondContact O-N 3.43Å; F250-G253 PolarHBondContact O-N 3.27Å; F250-F256 AromaticContact CD1-CZ 3.92Å; F250-F256 HydrophobicContact CD1-CZ 3.92Å; F250-F256 HydrophobicContact CE1-CZ 4.09Å; F250-A465 HydrophobicContact CE1-CB 3.59Å; F250-A465 HydrophobicContact CZ-CB 3.58Å; F250-L469 HydrophobicContact CD1-CD1 4.23Å; F250-L469 HydrophobicContact CD2-CD1 4.35Å; F250-L469 HydrophobicContact CE1-CD1 3.93Å; F250-L469 HydrophobicContact CE2-CD1 4.06Å; F250-L469 HydrophobicContact CG-CD1 4.44Å; F250-L469 HydrophobicContact CZ-CD1 3.84Å |
| 251 | S | 92 | Very high | 91.8 | Very high | 6 Ų | 6 | 8.1 Ų | 8.1 | 4% | 0.042 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -75.5 | -36.5 | -174.5 | -173.7 | 0 | 0 | 0 | 0 | 112.7 | A22 N27 Q247 I248 G253 N283 | A22-S251 CarbonylContact C-O 3.59Å; A22-S251 VanDerWaalsContact C-O 3.32Å; A22-S251 WeakPolarHBondContact CA-O 3.42Å; A22-S251 WeakPolarHBondContact CB-O 3.38Å; N27-S251 PolarHBondContact ND2-OG 3.43Å; Q247-S251 WeakPolarHBondContact O-CB 3.27Å; Q247-S251 PolarHBondContact O-N 3.32Å; I248-S251 PolarHBondContact O-N 3.38Å; S251-G253 VanDerWaalsContact C-N 3.32Å; S251-N283 VanDerWaalsContact OG-CG 3.29Å; S251-N283 PolarHBondContact OG-ND2 3.44Å; S251-N283 PolarHBondContact OG-OD1 3.37Å |
| 252 | L | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -81.9 | -16.6 | 173.2 | -65.4 | 178.9 | 0 | 0 | 0 | 112.5 | L51 L59 I248 L254 L259 N283 | L51-L252 HydrophobicContact CD1-CD1 4.25Å; L59-L252 HydrophobicContact CD2-CD2 4.48Å; I248-L252 HydrophobicContact CG2-CD1 3.82Å; I248-L252 HydrophobicContact CG2-CG 4.4Å; I248-L252 WeakPolarHBondContact O-CB 3.35Å; I248-L252 PolarHBondContact O-N 3.47Å; L252-L254 HydrophobicContact CB-CD1 4.44Å; L252-L254 HydrophobicContact CB-CD2 4.26Å; L252-L254 HydrophobicContact CB-CG 3.98Å; L252-L254 HydrophobicContact CD1-CD1 4.49Å; L252-L259 WeakPolarHBondContact O-CD1 3.36Å; L252-N283 HydrophobicContact CD2-CB 3.89Å; L252-N283 WeakPolarHBondContact CD2-ND2 3.4Å |
| 253 | G | 91.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 4.2 Ų | 4.2 | 1% | 0.01 | 2% | 0.022 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 36.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F249 F250 S251 F256 | F249-G253 WeakPolarHBondContact O-CA 3.28Å; F249-G253 PolarHBondContact O-N 3.19Å; F250-G253 PolarHBondContact O-N 3.27Å; S251-G253 VanDerWaalsContact C-N 3.32Å; G253-F256 VanDerWaalsContact C-CD2 3.44Å; G253-F256 VanDerWaalsContact CA-CD2 3.48Å; G253-F256 WeakPolarHBondContact O-CD2 3.05Å |
| 254 | L | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 1% | 0.011 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 141.3 | -178.2 | -58.2 | 176.5 | 0 | 0 | 0 | 111.3 | L58 L59 E62 F249 L252 F256 L259 L469 V473 | L58-L254 HydrophobicContact CB-CD1 3.82Å; L58-L254 HydrophobicContact CB-CD2 4.3Å; L58-L254 HydrophobicContact CD1-CD1 4.18Å; L59-L254 HydrophobicContact CB-CD2 3.95Å; L59-L254 HydrophobicContact CD1-CD2 4.25Å; E62-L254 VanDerWaalsContact OE1-CA 3.28Å; E62-L254 WeakPolarHBondContact OE1-CA 3.21Å; F249-L254 HydrophobicContact CD1-CD1 3.78Å; F249-L254 HydrophobicContact CE1-CD1 4.27Å; F249-L254 PolarHBondContact O-N 3.44Å; L252-L254 HydrophobicContact CB-CD1 4.44Å; L252-L254 HydrophobicContact CB-CD2 4.26Å; L252-L254 HydrophobicContact CB-CG 3.98Å; L252-L254 HydrophobicContact CD1-CD1 4.49Å; L254-F256 PolarHBondContact O-N 2.68Å; L254-L259 HydrophobicContact CD2-CD1 4.15Å; L254-L469 WeakPolarHBondContact O-CD2 3.4Å; L254-V473 HydrophobicContact CB-CG2 4.22Å |
| 255 | G | 91.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.017 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | -6.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | E62 S91 G257 I472 | E62-G255 PolarHBondContact OE1-N 2.97Å; S91-G255 WeakPolarHBondContact CB-O 3.5Å; S91-G255 PolarHBondContact OG-O 3.29Å; G255-G257 VanDerWaalsContact C-N 3.33Å; G255-I472 WeakPolarHBondContact O-CG2 3.36Å |
| 256 | F | 92.8 | Very high | 92.8 | Very high | 5 Ų | 5 | 3.7 Ų | 3.7 | 2% | 0.022 | 2% | 0.017 | C | C | . | . | S | Bend | trans | -78.6 | -17.2 | 177.1 | -62 | -54.5 | 0 | 0 | 0 | 113.2 | Y21 S91 V94 S95 L98 F250 G253 L254 S258 A413 A465 L469 | Y21-F256 WeakPolarHBondContact OH-CB 3.37Å; Y21-F256 WeakPolarHBondContact OH-CD2 3.11Å; S91-F256 WeakPolarHBondContact CB-O 3.38Å; V94-F256 HydrophobicContact CG1-CD1 3.72Å; V94-F256 HydrophobicContact CG1-CE1 3.57Å; S95-F256 PolarHBondContact OG-O 3.27Å; L98-F256 HydrophobicContact CD1-CD1 3.54Å; L98-F256 HydrophobicContact CD1-CE1 2.96Å; L98-F256 HydrophobicContact CD1-CE2 4.39Å; L98-F256 HydrophobicContact CD1-CG 4.45Å; L98-F256 HydrophobicContact CD1-CZ 3.44Å; L98-F256 VanDerWaalsContact CD1-CZ 3.44Å; L98-F256 HydrophobicContact CG-CE1 4.41Å; F250-F256 AromaticContact CD1-CZ 3.92Å; F250-F256 HydrophobicContact CD1-CZ 3.92Å; F250-F256 HydrophobicContact CE1-CZ 4.09Å; G253-F256 VanDerWaalsContact C-CD2 3.44Å; G253-F256 VanDerWaalsContact CA-CD2 3.48Å; G253-F256 WeakPolarHBondContact O-CD2 3.05Å; L254-F256 PolarHBondContact O-N 2.68Å; F256-S258 PolarHBondContact O-N 3.3Å; F256-A413 WeakPolarHBondContact O-CB 3.34Å; F256-A465 HydrophobicContact CE1-CB 4.29Å; F256-L469 HydrophobicContact CD1-CD2 3.59Å; F256-L469 HydrophobicContact CD1-CG 4.5Å; F256-L469 HydrophobicContact CE1-CD1 3.58Å; F256-L469 HydrophobicContact CE1-CD2 3.28Å; F256-L469 HydrophobicContact CE1-CG 3.74Å; F256-L469 HydrophobicContact CE2-CD1 4.25Å; F256-L469 HydrophobicContact CE2-CD2 4.39Å; F256-L469 HydrophobicContact CG-CD2 4.24Å; F256-L469 HydrophobicContact CZ-CD1 3.37Å; F256-L469 HydrophobicContact CZ-CD2 3.79Å; F256-L469 HydrophobicContact CZ-CG 4.05Å |
| 257 | G | 92.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.036 | C | C | . | . | S | Bend | trans | 76.7 | -0.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | G255 I260 A261 | G255-G257 VanDerWaalsContact C-N 3.33Å; G257-I260 PolarHBondContact O-N 3.32Å; G257-A261 WeakPolarHBondContact O-CB 3.49Å; G257-A261 PolarHBondContact O-N 3.08Å |
| 258 | S | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62 | -43.6 | 173.8 | -62 | 0 | 0 | 0 | 0 | 111.7 | Y21 F256 A261 F262 G409 A413 | Y21-S258 WeakPolarHBondContact OH-CB 3.3Å; Y21-S258 PolarHBondContact OH-OG 2.91Å; F256-S258 PolarHBondContact O-N 3.3Å; S258-A261 WeakPolarHBondContact O-CB 3.44Å; S258-A261 PolarHBondContact O-N 3.2Å; S258-F262 PolarHBondContact O-N 3.02Å; S258-G409 VanDerWaalsContact CB-O 3.29Å; S258-G409 WeakPolarHBondContact CB-O 3.25Å; S258-G409 VanDerWaalsContact OG-C 3.29Å; S258-G409 PolarHBondContact OG-O 3.46Å; S258-A413 WeakPolarHBondContact OG-CB 3.33Å |
| 259 | L | 95 | Very high | 92.5 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -69.8 | -39.7 | 179.9 | -66.5 | 165.3 | 0 | 0 | 0 | 111.8 | Y21 L59 L63 L252 L254 A261 F262 A263 | Y21-L259 HydrophobicContact CD1-CD2 4.12Å; Y21-L259 HydrophobicContact CD1-CG 4.41Å; Y21-L259 HydrophobicContact CE1-CD2 4.31Å; Y21-L259 HydrophobicContact CE1-CG 4.1Å; L59-L259 HydrophobicContact CD1-CD1 3.26Å; L59-L259 HydrophobicContact CD1-CD2 3.98Å; L59-L259 HydrophobicContact CD1-CG 4.15Å; L63-L259 HydrophobicContact CD2-CB 4.05Å; L63-L259 HydrophobicContact CD2-CD2 4.28Å; L252-L259 WeakPolarHBondContact O-CD1 3.36Å; L254-L259 HydrophobicContact CD2-CD1 4.15Å; L259-A261 VanDerWaalsContact C-N 3.31Å; L259-A261 PolarHBondContact O-N 2.97Å; L259-F262 PolarHBondContact O-N 3.36Å; L259-A263 WeakPolarHBondContact O-CB 3.35Å; L259-A263 PolarHBondContact O-N 2.84Å |
| 260 | I | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58 | -47.4 | 170.6 | -60.3 | 178.1 | 0 | 0 | 0 | 109.3 | E62 A76 W77 G257 A263 S264 | E62-I260 HydrophobicContact CB-CG1 4.14Å; E62-I260 HydrophobicContact CG-CD1 4.46Å; E62-I260 HydrophobicContact CG-CG1 4.29Å; A76-I260 HydrophobicContact CB-CG2 4.17Å; W77-I260 HydrophobicContact CZ2-CD1 3.89Å; G257-I260 PolarHBondContact O-N 3.32Å; I260-A263 PolarHBondContact O-N 3.3Å; I260-S264 WeakPolarHBondContact O-CB 3.25Å; I260-S264 PolarHBondContact O-N 3.2Å; I260-S264 PolarHBondContact O-OG 3.25Å |
| 261 | A | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.1 | -49.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G257 S258 L259 S264 Y265 T416 | G257-A261 WeakPolarHBondContact O-CB 3.49Å; G257-A261 PolarHBondContact O-N 3.08Å; S258-A261 WeakPolarHBondContact O-CB 3.44Å; S258-A261 PolarHBondContact O-N 3.2Å; L259-A261 VanDerWaalsContact C-N 3.31Å; L259-A261 PolarHBondContact O-N 2.97Å; A261-S264 PolarHBondContact O-N 2.73Å; A261-S264 PolarHBondContact O-OG 3.25Å; A261-Y265 WeakPolarHBondContact O-CD2 3.35Å; A261-Y265 WeakPolarHBondContact O-CE2 3.38Å; A261-T416 HydrophobicContact CB-CG2 4.04Å |
| 262 | F | 94.5 | Very high | 92.7 | Very high | 6 Ų | 6 | 17.1 Ų | 17.1 | 3% | 0.026 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.2 | -44.7 | 177.8 | -71.3 | -20.3 | 0 | 0 | 0 | 113.3 | W8 F14 A17 Y21 S258 L259 S264 Y265 G409 A412 | W8-F262 HydrophobicContact CH2-CD1 4.43Å; W8-F262 HydrophobicContact CZ2-CB 4.38Å; W8-F262 AromaticContact CZ2-CD1 3.9Å; W8-F262 HydrophobicContact CZ2-CD1 3.9Å; W8-F262 HydrophobicContact CZ2-CE1 4.48Å; W8-F262 HydrophobicContact CZ2-CG 4.3Å; W8-F262 PolarHBondContact NE1-O 3.18Å; F14-F262 HydrophobicContact CD2-CB 4.35Å; F14-F262 HydrophobicContact CE2-CB 3.93Å; A17-F262 HydrophobicContact CB-CE2 4.41Å; Y21-F262 HydrophobicContact CG-CE2 4.31Å; S258-F262 PolarHBondContact O-N 3.02Å; L259-F262 PolarHBondContact O-N 3.36Å; F262-S264 PolarHBondContact O-N 2.81Å; F262-Y265 PolarHBondContact O-N 3.49Å; F262-G409 VanDerWaalsContact CZ-CA 3.47Å; F262-A412 HydrophobicContact CD1-CB 4.12Å; F262-A412 HydrophobicContact CE1-CB 3.52Å; F262-A412 HydrophobicContact CZ-CB 4.23Å |
| 263 | A | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.7 | -28.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F14 L63 Q67 L259 I260 Y265 N266 | F14-A263 HydrophobicContact CE2-CB 4.42Å; L63-A263 HydrophobicContact CB-CB 4.48Å; L63-A263 HydrophobicContact CD2-CB 3.89Å; L63-A263 WeakPolarHBondContact O-CB 3.49Å; Q67-A263 WeakPolarHBondContact CA-O 3.5Å; Q67-A263 HydrophobicContact CB-CB 4.4Å; L259-A263 WeakPolarHBondContact O-CB 3.35Å; L259-A263 PolarHBondContact O-N 2.84Å; I260-A263 PolarHBondContact O-N 3.3Å; A263-Y265 PolarHBondContact O-N 2.94Å; A263-N266 VanDerWaalsContact O-CB 3.29Å; A263-N266 WeakPolarHBondContact O-CB 2.99Å; A263-N266 PolarHBondContact O-N 2.92Å |
| 264 | S | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -11.7 | -179.6 | 74.3 | 0 | 0 | 0 | 0 | 114.6 | R5 G66 Q71 I260 A261 F262 | R5-S264 VanDerWaalsContact CD-O 3.27Å; R5-S264 WeakPolarHBondContact CD-O 3.3Å; R5-S264 PolarHBondContact NH1-O 3.11Å; R5-S264 PolarHBondContact NH1-OG 3.15Å; G66-S264 VanDerWaalsContact O-CA 3.24Å; G66-S264 WeakPolarHBondContact O-CA 3.49Å; G66-S264 WeakPolarHBondContact O-CB 3.44Å; Q71-S264 WeakPolarHBondContact O-CB 3.47Å; I260-S264 WeakPolarHBondContact O-CB 3.25Å; I260-S264 PolarHBondContact O-N 3.2Å; I260-S264 PolarHBondContact O-OG 3.25Å; A261-S264 PolarHBondContact O-N 2.73Å; A261-S264 PolarHBondContact O-OG 3.25Å; F262-S264 PolarHBondContact O-N 2.81Å |
| 265 | Y | 92.1 | Very high | 92.9 | Very high | 29 Ų | 29 | 26.2 Ų | 26.2 | 11% | 0.114 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 1.7 | 169.1 | -59.7 | -76 | 0 | 0 | 0 | 113.1 | R5 P6 L7 W8 T189 A261 F262 A263 T416 | R5-Y265 HydrophobicContact CG-CD1 3.61Å; R5-Y265 HydrophobicContact CG-CE1 3.82Å; P6-Y265 HydrophobicContact CG-CD1 3.95Å; P6-Y265 HydrophobicContact CG-CE1 3.86Å; P6-Y265 WeakPolarHBondContact O-CD1 3.47Å; L7-Y265 WeakPolarHBondContact CA-O 3.36Å; L7-Y265 WeakPolarHBondContact CD2-O 3.38Å; W8-Y265 PolarHBondContact N-O 3.25Å; T189-Y265 HydrophobicContact CG2-CD1 4.14Å; T189-Y265 HydrophobicContact CG2-CD2 3.85Å; T189-Y265 HydrophobicContact CG2-CE1 4.34Å; T189-Y265 HydrophobicContact CG2-CE2 4.08Å; T189-Y265 HydrophobicContact CG2-CG 3.9Å; A261-Y265 WeakPolarHBondContact O-CD2 3.35Å; A261-Y265 WeakPolarHBondContact O-CE2 3.38Å; F262-Y265 PolarHBondContact O-N 3.49Å; A263-Y265 PolarHBondContact O-N 2.94Å; Y265-T416 HydrophobicContact CE2-CG2 4.28Å; Y265-T416 PolarHBondContact OH-OG1 3.45Å |
| 266 | N | 92.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.011 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -77.3 | 160.3 | 173.2 | -77.1 | -28.3 | 0 | 0 | 0 | 112.1 | F14 Q67 R70 A263 | F14-N266 WeakPolarHBondContact CB-OD1 3.47Å; F14-N266 WeakPolarHBondContact CD1-ND2 3.4Å; F14-N266 WeakPolarHBondContact CD2-ND2 3.28Å; F14-N266 WeakPolarHBondContact CD2-OD1 3.43Å; F14-N266 VanDerWaalsContact CE1-ND2 3.33Å; F14-N266 WeakPolarHBondContact CE1-ND2 3.45Å; F14-N266 WeakPolarHBondContact CE2-ND2 3.33Å; F14-N266 WeakPolarHBondContact CG-ND2 3.3Å; F14-N266 VanDerWaalsContact CG-OD1 3.23Å; F14-N266 WeakPolarHBondContact CG-OD1 3.42Å; F14-N266 WeakPolarHBondContact CZ-ND2 3.44Å; Q67-N266 HydrophobicContact CG-CB 4.13Å; R70-N266 PolarHBondContact NH1-O 3.01Å; A263-N266 VanDerWaalsContact O-CB 3.29Å; A263-N266 WeakPolarHBondContact O-CB 2.99Å; A263-N266 PolarHBondContact O-N 2.92Å |
| 267 | E | 90.4 | Very high | 93.3 | Very high | 94 Ų | 94 | 28.5 Ų | 28.5 | 44% | 0.439 | 15% | 0.149 | S | C | . | . | trans | -65.3 | 138.3 | 163.8 | -67.9 | -174.7 | -177.9 | 0 | 0 | 110.5 | L7 Q67 S269 N270 | L7-E267 HydrophobicContact CD1-CG 4.13Å; L7-E267 HydrophobicContact CD2-CG 4.45Å; Q67-E267 PolarHBondContact NE2-O 2.84Å; Q67-E267 VanDerWaalsContact NE2-O 3.15Å; E267-S269 PolarHBondContact O-N 2.87Å; E267-S269 VanDerWaalsContact O-N 3.17Å; E267-N270 WeakPolarHBondContact O-CB 3.2Å; E267-N270 PolarHBondContact O-N 3.26Å; E267-N270 VanDerWaalsContact O-N 3.13Å | ||
| 268 | P | 88.1 | Confident | 93.5 | Very high | 70 Ų | 70 | 31.3 Ų | 31.3 | 46% | 0.455 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -29.4 | -178.6 | -27 | 35.6 | 0 | 0 | 0 | 114.5 | Q67 N270 M496 | Q67-P268 PolarHBondContact NE2-O 2.98Å; P268-N270 VanDerWaalsContact C-N 3.34Å; P268-M496 WeakPolarHBondContact O-CB 3.46Å; P268-M496 WeakPolarHBondContact O-CE 3.37Å |
| 269 | S | 88.6 | Confident | 93.6 | Very high | 79 Ų | 79 | 31.4 Ų | 31.4 | 55% | 0.552 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -9.7 | -179.1 | 49.6 | 0 | 0 | 0 | 0 | 114.6 | E267 M496 | E267-S269 PolarHBondContact O-N 2.87Å; E267-S269 VanDerWaalsContact O-N 3.17Å; S269-M496 WeakPolarHBondContact CA-O 3.36Å |
| 270 | N | 90.9 | Very high | 93.7 | Very high | 28 Ų | 28 | 31.3 Ų | 31.3 | 15% | 0.15 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -64.7 | 145 | -177.7 | -85.5 | -14.6 | 0 | 0 | 0 | 112 | Q67 E267 P268 C272 | Q67-N270 PolarHBondContact NE2-O 3.46Å; E267-N270 WeakPolarHBondContact O-CB 3.2Å; E267-N270 PolarHBondContact O-N 3.26Å; E267-N270 VanDerWaalsContact O-N 3.13Å; P268-N270 VanDerWaalsContact C-N 3.34Å; N270-C272 PolarHBondContact O-N 3.37Å |
| 271 | N | 92.3 | Very high | 93.7 | Very high | 44 Ų | 44 | 35.9 Ų | 35.9 | 24% | 0.235 | 19% | 0.187 | C | C | . | . | trans | -79.7 | 85.4 | -178.6 | -171 | -22.2 | 0 | 0 | 0 | 111.6 | Q273 K274 H275 | N271-Q273 VanDerWaalsContact C-N 3.27Å; N271-Q273 PolarHBondContact O-N 3.09Å; N271-Q273 WeakPolarHBondContact OD1-CB 3.27Å; N271-Q273 PolarHBondContact OD1-N 3.22Å; N271-K274 HydrophobicContact CB-CB 4.19Å; N271-K274 PolarHBondContact O-N 2.8Å; N271-K274 PolarHBondContact OD1-N 3.13Å; N271-H275 PolarHBondContact O-N 2.79Å | ||
| 272 | C | 93.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.3 | -30 | 178 | 51.7 | 0 | 0 | 0 | 0 | 113.4 | Y60 L63 N270 H275 A276 | Y60-C272 HydrophobicContact CE2-CB 4.48Å; L63-C272 HydrophobicContact CB-CB 4.38Å; N270-C272 PolarHBondContact O-N 3.37Å; C272-H275 PolarHBondContact O-N 2.87Å; C272-A276 WeakPolarHBondContact O-CB 3.4Å; C272-A276 PolarHBondContact O-N 3.27Å |
| 273 | Q | 94.6 | Very high | 93.9 | Very high | 50 Ų | 50 | 38.1 Ų | 38.1 | 23% | 0.234 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.9 | -47.4 | 175.4 | -173.9 | -169.1 | -19.2 | 0 | 0 | 111.2 | Y60 N271 H275 A276 I277 W505 | Y60-Q273 HydrophobicContact CD1-CG 4.42Å; Y60-Q273 HydrophobicContact CD2-CB 4.16Å; Y60-Q273 HydrophobicContact CE1-CB 4.25Å; Y60-Q273 HydrophobicContact CE1-CG 4.11Å; Y60-Q273 HydrophobicContact CE2-CB 3.67Å; Y60-Q273 HydrophobicContact CE2-CG 4.36Å; N271-Q273 VanDerWaalsContact C-N 3.27Å; N271-Q273 PolarHBondContact O-N 3.09Å; N271-Q273 WeakPolarHBondContact OD1-CB 3.27Å; N271-Q273 PolarHBondContact OD1-N 3.22Å; Q273-H275 VanDerWaalsContact C-N 3.3Å; Q273-H275 PolarHBondContact O-N 2.95Å; Q273-A276 PolarHBondContact O-N 2.97Å; Q273-I277 HydrophobicContact CG-CD1 4.27Å; Q273-I277 WeakPolarHBondContact O-CG1 3.49Å; Q273-I277 PolarHBondContact O-N 3.38Å; Q273-I277 VanDerWaalsContact O-N 3.15Å; Q273-W505 HydrophobicContact CG-CZ2 4.14Å |
| 274 | K | 94 | Very high | 93.9 | Very high | 124 Ų | 124 | 38.5 Ų | 38.5 | 54% | 0.539 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 177.9 | -176.9 | 179.2 | 176.7 | -177 | 0 | 110.9 | N271 I277 I278 | N271-K274 HydrophobicContact CB-CB 4.19Å; N271-K274 PolarHBondContact O-N 2.8Å; N271-K274 PolarHBondContact OD1-N 3.13Å; K274-I277 PolarHBondContact O-N 2.73Å; K274-I278 HydrophobicContact CD-CD1 4.35Å; K274-I278 HydrophobicContact CG-CD1 3.75Å; K274-I278 HydrophobicContact CG-CG1 4.45Å; K274-I278 WeakPolarHBondContact O-CB 3.41Å; K274-I278 VanDerWaalsContact O-CG1 3.28Å; K274-I278 WeakPolarHBondContact O-CG1 3.29Å; K274-I278 PolarHBondContact O-N 3.05Å |
| 275 | H | 94.4 | Very high | 93.9 | Very high | 18 Ų | 18 | 44.7 Ų | 44.7 | 8% | 0.083 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.1 | -43.7 | 177.7 | -62.2 | 169 | 0 | 0 | 0 | 112 | F14 N271 C272 Q273 I277 I278 V279 | F14-H275 AromaticContact CD1-CE1 3.93Å; F14-H275 AromaticContact CD1-ND1 3.49Å; F14-H275 WeakPolarHBondContact CD1-ND1 3.41Å; F14-H275 HydrophobicContact CE1-CB 3.93Å; F14-H275 AromaticContact CE1-CG 3.86Å; F14-H275 AromaticContact CE1-ND1 3.3Å; F14-H275 VanDerWaalsContact CE1-ND1 3.3Å; F14-H275 WeakPolarHBondContact CE1-ND1 3.47Å; N271-H275 PolarHBondContact O-N 2.79Å; C272-H275 PolarHBondContact O-N 2.87Å; Q273-H275 VanDerWaalsContact C-N 3.3Å; Q273-H275 PolarHBondContact O-N 2.95Å; H275-I277 PolarHBondContact O-N 3.27Å; H275-I278 PolarHBondContact O-N 2.81Å; H275-V279 WeakPolarHBondContact O-CB 3.29Å; H275-V279 VanDerWaalsContact O-CG2 3.28Å; H275-V279 WeakPolarHBondContact O-CG2 3.29Å; H275-V279 PolarHBondContact O-N 2.86Å |
| 276 | A | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.9 | -46.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L59 Y60 L63 C272 Q273 S280 | L59-A276 HydrophobicContact CD2-CB 4.32Å; L59-A276 WeakPolarHBondContact CD2-O 3.45Å; L59-A276 HydrophobicContact CG-CB 4.16Å; Y60-A276 HydrophobicContact CD2-CB 4.43Å; Y60-A276 HydrophobicContact CG-CB 4.42Å; L63-A276 HydrophobicContact CD1-CB 4Å; C272-A276 WeakPolarHBondContact O-CB 3.4Å; C272-A276 PolarHBondContact O-N 3.27Å; Q273-A276 PolarHBondContact O-N 2.97Å; A276-S280 VanDerWaalsContact O-CB 3.29Å; A276-S280 WeakPolarHBondContact O-CB 3.22Å; A276-S280 PolarHBondContact O-N 3.23Å; A276-S280 PolarHBondContact O-OG 2.91Å |
| 277 | I | 96.4 | Very high | 94.2 | Very high | 53 Ų | 53 | 43.2 Ų | 43.2 | 27% | 0.272 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.1 | -48 | 178.9 | -64.5 | 168 | 0 | 0 | 0 | 110.7 | Q273 K274 H275 S280 L281 W505 | Q273-I277 HydrophobicContact CG-CD1 4.27Å; Q273-I277 WeakPolarHBondContact O-CG1 3.49Å; Q273-I277 PolarHBondContact O-N 3.38Å; Q273-I277 VanDerWaalsContact O-N 3.15Å; K274-I277 PolarHBondContact O-N 2.73Å; H275-I277 PolarHBondContact O-N 3.27Å; I277-S280 PolarHBondContact O-N 3.39Å; I277-L281 HydrophobicContact CG2-CD1 3.75Å; I277-L281 HydrophobicContact CG2-CG 4.29Å; I277-L281 WeakPolarHBondContact O-CB 3.29Å; I277-L281 VanDerWaalsContact O-CG 3.29Å; I277-L281 WeakPolarHBondContact O-CG 3.08Å; I277-L281 PolarHBondContact O-N 3.5Å; I277-W505 HydrophobicContact CD1-CZ2 4.17Å; I277-W505 HydrophobicContact CG1-CH2 4.31Å; I277-W505 HydrophobicContact CG1-CZ2 4.34Å |
| 278 | I | 96.3 | Very high | 94.4 | Very high | 58 Ų | 58 | 41 Ų | 41 | 30% | 0.297 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61 | -49.3 | -178.7 | -71.4 | 171.9 | 0 | 0 | 0 | 110.9 | V15 K274 H275 S280 L281 I282 | V15-I278 HydrophobicContact CG1-CG2 4.2Å; K274-I278 HydrophobicContact CD-CD1 4.35Å; K274-I278 HydrophobicContact CG-CD1 3.75Å; K274-I278 HydrophobicContact CG-CG1 4.45Å; K274-I278 WeakPolarHBondContact O-CB 3.41Å; K274-I278 VanDerWaalsContact O-CG1 3.28Å; K274-I278 WeakPolarHBondContact O-CG1 3.29Å; K274-I278 PolarHBondContact O-N 3.05Å; H275-I278 PolarHBondContact O-N 2.81Å; I278-S280 VanDerWaalsContact C-N 3.35Å; I278-S280 PolarHBondContact O-N 3.45Å; I278-L281 PolarHBondContact O-N 2.84Å; I278-I282 HydrophobicContact CG2-CD1 3.61Å; I278-I282 HydrophobicContact CG2-CG1 4.42Å; I278-I282 WeakPolarHBondContact O-CB 3.16Å; I278-I282 VanDerWaalsContact O-CG1 3.32Å; I278-I282 WeakPolarHBondContact O-CG1 3.49Å; I278-I282 PolarHBondContact O-N 3.39Å |
| 279 | V | 96.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | -179.3 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | V15 C18 I19 A22 L59 H275 L281 N283 | V15-V279 HydrophobicContact CG1-CG2 4.49Å; C18-V279 HydrophobicContact CB-CG1 4.14Å; C18-V279 HydrophobicContact CB-CG2 3.67Å; I19-V279 HydrophobicContact CG1-CG2 4.49Å; A22-V279 HydrophobicContact CB-CG1 4.24Å; L59-V279 HydrophobicContact CD2-CB 4.23Å; L59-V279 HydrophobicContact CD2-CG1 4.17Å; H275-V279 WeakPolarHBondContact O-CB 3.29Å; H275-V279 VanDerWaalsContact O-CG2 3.28Å; H275-V279 WeakPolarHBondContact O-CG2 3.29Å; H275-V279 PolarHBondContact O-N 2.86Å; V279-L281 PolarHBondContact O-N 3.31Å; V279-N283 VanDerWaalsContact O-CB 3.23Å; V279-N283 WeakPolarHBondContact O-CB 3.39Å; V279-N283 PolarHBondContact O-N 2.94Å |
| 280 | S | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.6 | -44.1 | 178.8 | -61.1 | 0 | 0 | 0 | 0 | 113.1 | L59 A276 I277 I278 S284 | L59-S280 WeakPolarHBondContact CD2-OG 3.36Å; A276-S280 VanDerWaalsContact O-CB 3.29Å; A276-S280 WeakPolarHBondContact O-CB 3.22Å; A276-S280 PolarHBondContact O-N 3.23Å; A276-S280 PolarHBondContact O-OG 2.91Å; I277-S280 PolarHBondContact O-N 3.39Å; I278-S280 VanDerWaalsContact C-N 3.35Å; I278-S280 PolarHBondContact O-N 3.45Å; S280-S284 WeakPolarHBondContact O-CB 3.39Å; S280-S284 PolarHBondContact O-N 2.95Å; S280-S284 VanDerWaalsContact O-N 3.09Å; S280-S284 PolarHBondContact O-OG 3.14Å |
| 281 | L | 96.6 | Very high | 95.3 | Very high | 95 Ų | 95 | 34 Ų | 34 | 50% | 0.497 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -68.7 | -45.1 | 179.8 | -72.2 | 176.9 | 0 | 0 | 0 | 111.5 | M56 I277 I278 V279 S284 F285 | M56-L281 HydrophobicContact CE-CD2 3.57Å; M56-L281 HydrophobicContact CE-CG 3.87Å; I277-L281 HydrophobicContact CG2-CD1 3.75Å; I277-L281 HydrophobicContact CG2-CG 4.29Å; I277-L281 WeakPolarHBondContact O-CB 3.29Å; I277-L281 VanDerWaalsContact O-CG 3.29Å; I277-L281 WeakPolarHBondContact O-CG 3.08Å; I277-L281 PolarHBondContact O-N 3.5Å; I278-L281 PolarHBondContact O-N 2.84Å; V279-L281 PolarHBondContact O-N 3.31Å; L281-S284 PolarHBondContact O-N 3.39Å; L281-F285 WeakPolarHBondContact O-CB 3.31Å; L281-F285 PolarHBondContact O-N 2.94Å |
| 282 | I | 96.4 | Very high | 95.4 | Very high | 53 Ų | 53 | 33.9 Ų | 33.9 | 27% | 0.272 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.2 | -48.5 | 176.9 | -70.9 | 172.6 | 0 | 0 | 0 | 109.8 | I19 Y204 I278 S284 F285 T286 | I19-I282 HydrophobicContact CD1-CD1 3.57Å; I19-I282 HydrophobicContact CD1-CG2 4.21Å; I19-I282 HydrophobicContact CG1-CD1 4.33Å; I19-I282 HydrophobicContact CG1-CG2 4.15Å; I19-I282 HydrophobicContact CG2-CG2 4.02Å; Y204-I282 VanDerWaalsContact OH-CG2 3.28Å; Y204-I282 WeakPolarHBondContact OH-CG2 3.24Å; I278-I282 HydrophobicContact CG2-CD1 3.61Å; I278-I282 HydrophobicContact CG2-CG1 4.42Å; I278-I282 WeakPolarHBondContact O-CB 3.16Å; I278-I282 VanDerWaalsContact O-CG1 3.32Å; I278-I282 WeakPolarHBondContact O-CG1 3.49Å; I278-I282 PolarHBondContact O-N 3.39Å; I282-S284 VanDerWaalsContact C-N 3.34Å; I282-S284 PolarHBondContact O-N 2.8Å; I282-F285 PolarHBondContact O-N 3.47Å; I282-T286 WeakPolarHBondContact O-CB 3.49Å; I282-T286 PolarHBondContact O-N 3.07Å; I282-T286 PolarHBondContact O-OG1 3.5Å |
| 283 | N | 95.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.6 | -48.6 | 179 | 176.9 | 59.4 | 0 | 0 | 0 | 112.5 | A22 V23 N27 S251 L252 V279 T286 S287 | A22-N283 HydrophobicContact CB-CB 4.38Å; A22-N283 PolarHBondContact O-OD1 3.37Å; V23-N283 HydrophobicContact CG2-CB 4.48Å; N27-N283 PolarHBondContact ND2-O 3.48Å; N27-N283 PolarHBondContact ND2-OD1 3.08Å; S251-N283 VanDerWaalsContact OG-CG 3.29Å; S251-N283 PolarHBondContact OG-ND2 3.44Å; S251-N283 PolarHBondContact OG-OD1 3.37Å; L252-N283 HydrophobicContact CD2-CB 3.89Å; L252-N283 WeakPolarHBondContact CD2-ND2 3.4Å; V279-N283 VanDerWaalsContact O-CB 3.23Å; V279-N283 WeakPolarHBondContact O-CB 3.39Å; V279-N283 PolarHBondContact O-N 2.94Å; N283-T286 PolarHBondContact O-N 3.24Å; N283-S287 PolarHBondContact O-N 2.9Å; N283-S287 PolarHBondContact O-OG 2.88Å |
| 284 | S | 95.1 | Very high | 95.4 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 5% | 0.049 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.2 | -39 | -177.1 | -53.3 | 0 | 0 | 0 | 0 | 112.4 | L51 S280 L281 I282 T286 S287 I288 | L51-S284 WeakPolarHBondContact CD1-OG 3.41Å; L51-S284 WeakPolarHBondContact CD2-OG 3.46Å; S280-S284 WeakPolarHBondContact O-CB 3.39Å; S280-S284 PolarHBondContact O-N 2.95Å; S280-S284 VanDerWaalsContact O-N 3.09Å; S280-S284 PolarHBondContact O-OG 3.14Å; L281-S284 PolarHBondContact O-N 3.39Å; I282-S284 VanDerWaalsContact C-N 3.34Å; I282-S284 PolarHBondContact O-N 2.8Å; S284-T286 VanDerWaalsContact C-N 3.27Å; S284-T286 PolarHBondContact O-N 3.23Å; S284-S287 PolarHBondContact O-N 2.79Å; S284-I288 WeakPolarHBondContact O-CG1 3.33Å; S284-I288 PolarHBondContact O-N 3.43Å; S284-I288 VanDerWaalsContact O-N 3.16Å |
| 285 | F | 95.8 | Very high | 95.4 | Very high | 130 Ų | 130 | 26.1 Ų | 26.1 | 57% | 0.57 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -57.8 | -44.1 | 171.2 | 174.6 | -99.9 | 0 | 0 | 0 | 110.6 | L281 I282 S287 I288 F289 | L281-F285 WeakPolarHBondContact O-CB 3.31Å; L281-F285 PolarHBondContact O-N 2.94Å; I282-F285 PolarHBondContact O-N 3.47Å; F285-S287 PolarHBondContact O-N 3.5Å; F285-I288 PolarHBondContact O-N 3.4Å; F285-F289 HydrophobicContact CE1-CB 4.37Å; F285-F289 HydrophobicContact CZ-CD2 4.42Å; F285-F289 VanDerWaalsContact O-CB 3.24Å; F285-F289 WeakPolarHBondContact O-CB 3.45Å; F285-F289 PolarHBondContact O-N 3.06Å |
| 286 | T | 95.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.9 | -38.3 | 179.3 | -55.4 | 0 | 0 | 0 | 0 | 112.7 | V23 Y204 L207 I282 N283 S284 I288 F289 A290 | V23-T286 HydrophobicContact CG1-CG2 3.57Å; V23-T286 HydrophobicContact CG2-CG2 4.42Å; Y204-T286 HydrophobicContact CE1-CG2 3.84Å; Y204-T286 WeakPolarHBondContact CE1-OG1 3.28Å; Y204-T286 PolarHBondContact OH-OG1 3.25Å; L207-T286 HydrophobicContact CD1-CG2 4.42Å; I282-T286 WeakPolarHBondContact O-CB 3.49Å; I282-T286 PolarHBondContact O-N 3.07Å; I282-T286 PolarHBondContact O-OG1 3.5Å; N283-T286 PolarHBondContact O-N 3.24Å; S284-T286 VanDerWaalsContact C-N 3.27Å; S284-T286 PolarHBondContact O-N 3.23Å; T286-I288 PolarHBondContact O-N 3.14Å; T286-F289 PolarHBondContact O-N 2.79Å; T286-A290 WeakPolarHBondContact O-CB 3.41Å; T286-A290 PolarHBondContact O-N 3.4Å |
| 287 | S | 95.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.9 | -46.9 | 172.7 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | N27 F31 Y47 N283 S284 F285 S291 | N27-S287 PolarHBondContact ND2-OG 3.32Å; F31-S287 WeakPolarHBondContact CD1-O 3.33Å; Y47-S287 PolarHBondContact OH-OG 3.02Å; N283-S287 PolarHBondContact O-N 2.9Å; N283-S287 PolarHBondContact O-OG 2.88Å; S284-S287 PolarHBondContact O-N 2.79Å; F285-S287 PolarHBondContact O-N 3.5Å; S287-S291 WeakPolarHBondContact O-CB 2.98Å; S287-S291 PolarHBondContact O-N 3.48Å; S287-S291 PolarHBondContact O-OG 3.38Å |
| 288 | I | 95.3 | Very high | 95 | Very high | 46 Ų | 46 | 23.3 Ų | 23.3 | 24% | 0.236 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.2 | -43.9 | 179 | -63.6 | 169.5 | 0 | 0 | 0 | 110.1 | F31 L44 S284 F285 T286 S291 I292 | F31-I288 HydrophobicContact CZ-CG1 4.34Å; L44-I288 HydrophobicContact CD2-CG1 4.4Å; S284-I288 WeakPolarHBondContact O-CG1 3.33Å; S284-I288 PolarHBondContact O-N 3.43Å; S284-I288 VanDerWaalsContact O-N 3.16Å; F285-I288 PolarHBondContact O-N 3.4Å; T286-I288 PolarHBondContact O-N 3.14Å; I288-S291 WeakPolarHBondContact O-CB 3.37Å; I288-S291 PolarHBondContact O-N 3.45Å; I288-I292 HydrophobicContact CG2-CD1 4.23Å; I288-I292 WeakPolarHBondContact O-CG1 3.39Å; I288-I292 PolarHBondContact O-N 3.24Å |
| 289 | F | 96 | Very high | 94.8 | Very high | 31 Ų | 31 | 20.6 Ų | 20.6 | 14% | 0.136 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.8 | -48 | 178.9 | -176.1 | -109.7 | 0 | 0 | 0 | 112.2 | L207 I208 L211 F285 T286 S291 I292 V293 | L207-F289 HydrophobicContact CB-CD1 4.15Å; L207-F289 HydrophobicContact CB-CE1 3.62Å; L207-F289 HydrophobicContact CD1-CD1 4.25Å; I208-F289 HydrophobicContact CG1-CE1 4.24Å; I208-F289 HydrophobicContact CG1-CZ 3.89Å; L211-F289 HydrophobicContact CB-CZ 4.49Å; L211-F289 HydrophobicContact CD2-CE2 3.55Å; L211-F289 HydrophobicContact CD2-CZ 3.89Å; F285-F289 HydrophobicContact CE1-CB 4.37Å; F285-F289 HydrophobicContact CZ-CD2 4.42Å; F285-F289 VanDerWaalsContact O-CB 3.24Å; F285-F289 WeakPolarHBondContact O-CB 3.45Å; F285-F289 PolarHBondContact O-N 3.06Å; T286-F289 PolarHBondContact O-N 2.79Å; F289-S291 PolarHBondContact O-N 2.74Å; F289-I292 PolarHBondContact O-N 3.34Å; F289-V293 WeakPolarHBondContact O-CG2 3.17Å; F289-V293 PolarHBondContact O-N 3.47Å; F289-V293 VanDerWaalsContact O-N 3.13Å |
| 290 | A | 94.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.4 | -33.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V28 L207 T286 V293 T294 | V28-A290 HydrophobicContact CG2-CB 4.28Å; L207-A290 HydrophobicContact CD1-CB 4.37Å; L207-A290 HydrophobicContact CD2-CB 4.35Å; T286-A290 WeakPolarHBondContact O-CB 3.41Å; T286-A290 PolarHBondContact O-N 3.4Å; A290-V293 PolarHBondContact O-N 2.82Å; A290-T294 WeakPolarHBondContact O-CB 3.49Å; A290-T294 PolarHBondContact O-N 2.89Å; A290-T294 PolarHBondContact O-OG1 3.4Å |
| 291 | S | 94.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.6 | -46 | 172.8 | -58.5 | 0 | 0 | 0 | 0 | 112.3 | F31 S287 I288 F289 V293 T294 F295 | F31-S291 WeakPolarHBondContact CD1-OG 3.35Å; F31-S291 VanDerWaalsContact CE1-OG 3.28Å; F31-S291 WeakPolarHBondContact CE1-OG 3.2Å; S287-S291 WeakPolarHBondContact O-CB 2.98Å; S287-S291 PolarHBondContact O-N 3.48Å; S287-S291 PolarHBondContact O-OG 3.38Å; I288-S291 WeakPolarHBondContact O-CB 3.37Å; I288-S291 PolarHBondContact O-N 3.45Å; F289-S291 PolarHBondContact O-N 2.74Å; S291-V293 PolarHBondContact O-N 2.95Å; S291-T294 PolarHBondContact O-N 2.98Å; S291-F295 WeakPolarHBondContact O-CB 3.17Å; S291-F295 VanDerWaalsContact O-CD2 3.28Å; S291-F295 WeakPolarHBondContact O-CD2 3.3Å; S291-F295 PolarHBondContact O-N 3.08Å |
| 292 | I | 95.8 | Very high | 94.2 | Very high | 41 Ų | 41 | 18 Ų | 18 | 21% | 0.21 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -56.8 | -44.2 | 177 | -67 | 165.8 | 0 | 0 | 0 | 110 | L211 L224 M227 F228 I288 F289 S296 | L211-I292 HydrophobicContact CD1-CG2 3.78Å; L224-I292 HydrophobicContact CD2-CB 4.48Å; L224-I292 HydrophobicContact CD2-CG2 3.87Å; M227-I292 HydrophobicContact CE-CG1 4.16Å; M227-I292 HydrophobicContact SD-CG1 4.19Å; F228-I292 HydrophobicContact CE2-CG1 4.4Å; F228-I292 HydrophobicContact CZ-CD1 4.25Å; F228-I292 HydrophobicContact CZ-CG1 4.08Å; I288-I292 HydrophobicContact CG2-CD1 4.23Å; I288-I292 WeakPolarHBondContact O-CG1 3.39Å; I288-I292 PolarHBondContact O-N 3.24Å; F289-I292 PolarHBondContact O-N 3.34Å; I292-S296 WeakPolarHBondContact O-CB 3.18Å; I292-S296 PolarHBondContact O-N 3.3Å; I292-S296 PolarHBondContact O-OG 3.5Å |
| 293 | V | 95.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.006 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.8 | -50.2 | 173.8 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | L207 L211 F289 A290 S291 S296 I297 | L207-V293 HydrophobicContact CD2-CG1 4.45Å; L211-V293 HydrophobicContact CB-CG2 3.81Å; L211-V293 HydrophobicContact CD1-CG2 4.05Å; L211-V293 HydrophobicContact CG-CG2 4.49Å; F289-V293 WeakPolarHBondContact O-CG2 3.17Å; F289-V293 PolarHBondContact O-N 3.47Å; F289-V293 VanDerWaalsContact O-N 3.13Å; A290-V293 PolarHBondContact O-N 2.82Å; S291-V293 PolarHBondContact O-N 2.95Å; V293-S296 PolarHBondContact O-N 3.16Å; V293-S296 PolarHBondContact O-OG 2.86Å; V293-I297 HydrophobicContact CG1-CD1 4.06Å; V293-I297 PolarHBondContact O-N 3.38Å |
| 294 | T | 92.9 | Very high | 93.9 | Very high | 7 Ų | 7 | 18.6 Ų | 18.6 | 4% | 0.043 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.1 | -51.6 | -179 | -52.9 | 0 | 0 | 0 | 0 | 111.8 | P32 A290 S291 S296 I297 Y298 L373 Y378 | P32-T294 HydrophobicContact CB-CG2 3.86Å; P32-T294 HydrophobicContact CG-CG2 4.25Å; A290-T294 WeakPolarHBondContact O-CB 3.49Å; A290-T294 PolarHBondContact O-N 2.89Å; A290-T294 PolarHBondContact O-OG1 3.4Å; S291-T294 PolarHBondContact O-N 2.98Å; T294-S296 VanDerWaalsContact C-N 3.31Å; T294-S296 PolarHBondContact O-N 3.5Å; T294-I297 PolarHBondContact O-N 2.67Å; T294-Y298 VanDerWaalsContact O-CB 3.26Å; T294-Y298 WeakPolarHBondContact O-CB 3.29Å; T294-Y298 PolarHBondContact O-N 2.91Å; T294-L373 HydrophobicContact CG2-CD2 4.46Å; T294-Y378 WeakPolarHBondContact CA-OH 3.43Å; T294-Y378 WeakPolarHBondContact CB-OH 3.28Å; T294-Y378 HydrophobicContact CG2-CE2 4.03Å; T294-Y378 PolarHBondContact OG1-OH 3.24Å |
| 295 | F | 93.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.018 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.9 | -29.3 | -178.6 | -82.3 | -81.7 | 0 | 0 | 0 | 112.6 | P32 C35 Q36 G223 L224 Y226 M227 S291 G299 | P32-F295 HydrophobicContact CB-CE2 4.16Å; C35-F295 HydrophobicContact CB-CE2 4.19Å; C35-F295 HydrophobicContact CB-CZ 4.39Å; Q36-F295 HydrophobicContact CB-CE1 4.26Å; Q36-F295 HydrophobicContact CB-CZ 3.87Å; Q36-F295 HydrophobicContact CG-CE1 4.43Å; G223-F295 WeakPolarHBondContact CA-O 3.35Å; L224-F295 HydrophobicContact CD2-CB 4.36Å; Y226-F295 HydrophobicContact CD1-CD1 4.29Å; Y226-F295 AromaticContact CD1-CE1 3.77Å; Y226-F295 HydrophobicContact CD1-CE1 3.77Å; Y226-F295 HydrophobicContact CE1-CE1 4.13Å; M227-F295 HydrophobicContact CB-CB 4.11Å; M227-F295 HydrophobicContact CB-CD1 3.88Å; M227-F295 HydrophobicContact CB-CD2 3.87Å; M227-F295 HydrophobicContact CB-CE1 4.24Å; M227-F295 HydrophobicContact CB-CE2 4.24Å; M227-F295 HydrophobicContact CB-CG 3.69Å; M227-F295 HydrophobicContact CB-CZ 4.4Å; M227-F295 HydrophobicContact CG-CD2 3.69Å; M227-F295 HydrophobicContact CG-CE2 3.89Å; M227-F295 HydrophobicContact CG-CG 4.05Å; M227-F295 HydrophobicContact CG-CZ 4.4Å; M227-F295 HydrophobicContact SD-CB 4.21Å; M227-F295 HydrophobicContact SD-CD2 3.51Å; M227-F295 VanDerWaalsContact SD-CD2 3.51Å; M227-F295 HydrophobicContact SD-CE2 4.13Å; M227-F295 HydrophobicContact SD-CG 4.05Å; S291-F295 WeakPolarHBondContact O-CB 3.17Å; S291-F295 VanDerWaalsContact O-CD2 3.28Å; S291-F295 WeakPolarHBondContact O-CD2 3.3Å; S291-F295 PolarHBondContact O-N 3.08Å; F295-G299 PolarHBondContact O-N 3.18Å |
| 296 | S | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.5 | -44.9 | 172 | 73.7 | 0 | 0 | 0 | 0 | 112.3 | G214 A220 I292 V293 T294 G299 F300 | G214-S296 WeakPolarHBondContact CA-OG 3.43Å; A220-S296 WeakPolarHBondContact CA-O 3.28Å; I292-S296 WeakPolarHBondContact O-CB 3.18Å; I292-S296 PolarHBondContact O-N 3.3Å; I292-S296 PolarHBondContact O-OG 3.5Å; V293-S296 PolarHBondContact O-N 3.16Å; V293-S296 PolarHBondContact O-OG 2.86Å; T294-S296 VanDerWaalsContact C-N 3.31Å; T294-S296 PolarHBondContact O-N 3.5Å; S296-G299 PolarHBondContact O-N 3.29Å; S296-F300 PolarHBondContact O-N 2.84Å |
| 297 | I | 92.4 | Very high | 93.3 | Very high | 5 Ų | 5 | 20.1 Ų | 20.1 | 3% | 0.026 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -70.7 | -38.6 | 178.1 | -64.9 | 165.2 | 0 | 0 | 0 | 110.7 | Y210 V293 T294 F300 K301 Y378 A381 M385 | Y210-I297 HydrophobicContact CD1-CD1 3.65Å; Y210-I297 HydrophobicContact CE1-CD1 4.14Å; V293-I297 HydrophobicContact CG1-CD1 4.06Å; V293-I297 PolarHBondContact O-N 3.38Å; T294-I297 PolarHBondContact O-N 2.67Å; I297-F300 WeakPolarHBondContact O-CB 3.41Å; I297-F300 PolarHBondContact O-N 3.38Å; I297-K301 PolarHBondContact O-N 3.03Å; I297-Y378 HydrophobicContact CD1-CD1 4.32Å; I297-Y378 HydrophobicContact CD1-CE1 3.61Å; I297-A381 HydrophobicContact CG2-CB 3.36Å; I297-M385 HydrophobicContact CG1-CE 4.35Å; I297-M385 HydrophobicContact CG2-CE 3.87Å |
| 298 | Y | 89.7 | Confident | 93 | Very high | 8 Ų | 8 | 22.4 Ų | 22.4 | 3% | 0.031 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.9 | -39.5 | 177.3 | -169.6 | -106.2 | 0 | 0 | 0 | 112 | Q36 T294 F300 K301 A302 E363 L364 T366 V377 | Q36-Y298 PolarHBondContact NE2-OH 3.31Å; T294-Y298 VanDerWaalsContact O-CB 3.26Å; T294-Y298 WeakPolarHBondContact O-CB 3.29Å; T294-Y298 PolarHBondContact O-N 2.91Å; Y298-F300 VanDerWaalsContact C-N 3.33Å; Y298-F300 PolarHBondContact O-N 3.02Å; Y298-K301 WeakPolarHBondContact O-CB 3.25Å; Y298-K301 PolarHBondContact O-N 3.22Å; Y298-A302 WeakPolarHBondContact O-CB 3.41Å; Y298-A302 PolarHBondContact O-N 3.38Å; Y298-E363 PolarHBondContact OH-O 2.76Å; Y298-E363 VanDerWaalsContact OH-O 3.04Å; Y298-L364 HydrophobicContact CD1-CD2 4.04Å; Y298-L364 HydrophobicContact CE1-CD2 4.08Å; Y298-L364 WeakPolarHBondContact CE1-O 3.41Å; Y298-L364 PolarHBondContact OH-O 3.04Å; Y298-T366 VanDerWaalsContact OH-C 3.23Å; Y298-T366 PolarHBondContact OH-O 3.17Å; Y298-V377 HydrophobicContact CD2-CG1 3.74Å; Y298-V377 HydrophobicContact CE2-CG1 4.05Å |
| 299 | G | 93.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.6 | -41.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G219 F295 S296 T303 | G219-G299 CarbonylContact O-C 3.6Å; G219-G299 WeakPolarHBondContact O-CA 3.19Å; F295-G299 PolarHBondContact O-N 3.18Å; S296-G299 PolarHBondContact O-N 3.29Å; G299-T303 VanDerWaalsContact O-CB 3.29Å; G299-T303 WeakPolarHBondContact O-CB 3.26Å; G299-T303 PolarHBondContact O-N 3.38Å; G299-T303 PolarHBondContact O-OG1 3.04Å |
| 300 | F | 93.3 | Very high | 92.5 | Very high | 21 Ų | 21 | 20.1 Ų | 20.1 | 9% | 0.092 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.7 | -49.7 | 171.5 | 164.5 | -104.3 | 0 | 0 | 0 | 111.9 | L217 H218 S296 I297 Y298 A302 T303 F304 N384 M385 | L217-F300 HydrophobicContact CB-CB 3.89Å; L217-F300 HydrophobicContact CB-CD2 3.88Å; L217-F300 HydrophobicContact CB-CG 3.94Å; L217-F300 HydrophobicContact CD1-CB 4.17Å; L217-F300 HydrophobicContact CD1-CD1 4Å; L217-F300 HydrophobicContact CD1-CD2 4.5Å; L217-F300 HydrophobicContact CD1-CG 3.97Å; L217-F300 HydrophobicContact CD2-CD2 4.35Å; L217-F300 HydrophobicContact CD2-CE2 4.33Å; L217-F300 HydrophobicContact CG-CD2 4.46Å; L217-F300 HydrophobicContact CG-CG 4.38Å; H218-F300 WeakPolarHBondContact O-CA 3.42Å; H218-F300 WeakPolarHBondContact O-CD2 3.24Å; S296-F300 PolarHBondContact O-N 2.84Å; I297-F300 WeakPolarHBondContact O-CB 3.41Å; I297-F300 PolarHBondContact O-N 3.38Å; Y298-F300 VanDerWaalsContact C-N 3.33Å; Y298-F300 PolarHBondContact O-N 3.02Å; F300-A302 PolarHBondContact O-N 3.28Å; F300-T303 PolarHBondContact O-N 3.33Å; F300-F304 VanDerWaalsContact O-CB 3.3Å; F300-F304 WeakPolarHBondContact O-CB 3.42Å; F300-F304 PolarHBondContact O-N 2.78Å; F300-N384 HydrophobicContact CE1-CB 4.07Å; F300-N384 HydrophobicContact CZ-CB 4.05Å; F300-M385 HydrophobicContact CE1-CG 4.37Å |
| 301 | K | 91.6 | Very high | 92.2 | Very high | 19 Ų | 19 | 26.2 Ų | 26.2 | 8% | 0.083 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.7 | -50.1 | 177.6 | 178.7 | -172.9 | -177.3 | -73.3 | 0 | 112 | I297 Y298 T303 F304 N305 V377 E380 A381 | I297-K301 PolarHBondContact O-N 3.03Å; Y298-K301 WeakPolarHBondContact O-CB 3.25Å; Y298-K301 PolarHBondContact O-N 3.22Å; K301-T303 PolarHBondContact O-N 2.9Å; K301-F304 PolarHBondContact O-N 3.14Å; K301-N305 PolarHBondContact NZ-ND2 2.88Å; K301-N305 WeakPolarHBondContact O-CB 3.2Å; K301-N305 PolarHBondContact O-N 3.31Å; K301-V377 HydrophobicContact CD-CG1 3.72Å; K301-E380 WeakPolarHBondContact CE-OE1 3.44Å; K301-E380 WeakPolarHBondContact CE-OE2 3.26Å; K301-E380 IonicContact NZ-OE1 2.73Å; K301-E380 PolarHBondContact NZ-OE1 3.21Å; K301-E380 IonicContact NZ-OE2 3.12Å; K301-E380 PolarHBondContact NZ-OE2 3.15Å; K301-A381 HydrophobicContact CB-CB 4.39Å |
| 302 | A | 92.3 | Very high | 92 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 2% | 0.017 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y298 F300 N305 Y306 L360 E363 L364 | Y298-A302 WeakPolarHBondContact O-CB 3.41Å; Y298-A302 PolarHBondContact O-N 3.38Å; F300-A302 PolarHBondContact O-N 3.28Å; A302-N305 PolarHBondContact O-N 2.87Å; A302-Y306 WeakPolarHBondContact O-CB 3.47Å; A302-Y306 PolarHBondContact O-N 3.32Å; A302-L360 HydrophobicContact CB-CD1 4.15Å; A302-E363 HydrophobicContact CB-CB 3.96Å; A302-L364 HydrophobicContact CB-CD2 3.67Å; A302-L364 HydrophobicContact CB-CG 3.9Å |
| 303 | T | 93.3 | Very high | 91.6 | Very high | 7 Ų | 7 | 32.1 Ų | 32.1 | 4% | 0.043 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65 | -43.7 | 177.7 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | G219 N222 G299 F300 K301 Y306 E307 | G219-T303 WeakPolarHBondContact CA-OG1 3.37Å; N222-T303 PolarHBondContact ND2-OG1 3.36Å; G299-T303 VanDerWaalsContact O-CB 3.29Å; G299-T303 WeakPolarHBondContact O-CB 3.26Å; G299-T303 PolarHBondContact O-N 3.38Å; G299-T303 PolarHBondContact O-OG1 3.04Å; F300-T303 PolarHBondContact O-N 3.33Å; K301-T303 PolarHBondContact O-N 2.9Å; T303-Y306 PolarHBondContact O-N 3.41Å; T303-E307 WeakPolarHBondContact O-CB 3.42Å; T303-E307 WeakPolarHBondContact O-CG 3.4Å; T303-E307 PolarHBondContact O-N 3.07Å |
| 304 | F | 91.8 | Very high | 91.3 | Very high | 61 Ų | 61 | 33.3 Ų | 33.3 | 27% | 0.268 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 177.2 | -174.9 | -98.7 | 0 | 0 | 0 | 112.4 | F300 K301 E307 N308 N384 | F300-F304 VanDerWaalsContact O-CB 3.3Å; F300-F304 WeakPolarHBondContact O-CB 3.42Å; F300-F304 PolarHBondContact O-N 2.78Å; K301-F304 PolarHBondContact O-N 3.14Å; F304-E307 PolarHBondContact O-N 3.5Å; F304-N308 VanDerWaalsContact CD1-ND2 3.32Å; F304-N308 WeakPolarHBondContact CD1-ND2 3.2Å; F304-N308 WeakPolarHBondContact CE1-ND2 3.36Å; F304-N308 VanDerWaalsContact CZ-ND2 3.32Å; F304-N308 WeakPolarHBondContact CZ-ND2 3.21Å; F304-N308 WeakPolarHBondContact O-CB 3.45Å; F304-N308 VanDerWaalsContact O-CG 3.3Å; F304-N308 PolarHBondContact O-N 2.83Å; F304-N308 PolarHBondContact O-ND2 3.22Å; F304-N384 HydrophobicContact CE1-CB 4.35Å; F304-N384 WeakPolarHBondContact CE1-ND2 3.39Å; F304-N384 HydrophobicContact CZ-CB 4.44Å |
| 305 | N | 89.9 | Confident | 91.1 | Very high | 34 Ų | 34 | 38.2 Ų | 38.2 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.4 | -41.7 | 177.3 | -75.5 | 0.3 | 0 | 0 | 0 | 111.7 | K301 A302 N308 C309 E380 | K301-N305 PolarHBondContact NZ-ND2 2.88Å; K301-N305 WeakPolarHBondContact O-CB 3.2Å; K301-N305 PolarHBondContact O-N 3.31Å; A302-N305 PolarHBondContact O-N 2.87Å; N305-N308 PolarHBondContact O-N 3.07Å; N305-C309 WeakPolarHBondContact O-CB 3.12Å; N305-C309 PolarHBondContact O-N 2.7Å; N305-E380 PolarHBondContact ND2-OE1 2.85Å; N305-E380 VanDerWaalsContact ND2-OE1 3.16Å |
| 306 | Y | 91.5 | Very high | 90.8 | Very high | 71 Ų | 71 | 40.5 Ų | 40.5 | 28% | 0.278 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60 | -50.5 | 174.1 | 171 | -107.1 | 0 | 0 | 0 | 111.9 | A302 T303 N308 C309 L310 C358 L360 | A302-Y306 WeakPolarHBondContact O-CB 3.47Å; A302-Y306 PolarHBondContact O-N 3.32Å; T303-Y306 PolarHBondContact O-N 3.41Å; Y306-N308 VanDerWaalsContact C-N 3.32Å; Y306-N308 PolarHBondContact O-N 3.07Å; Y306-C309 WeakPolarHBondContact O-CB 3.3Å; Y306-C309 PolarHBondContact O-N 3.24Å; Y306-L310 HydrophobicContact CD1-CD1 4.16Å; Y306-L310 HydrophobicContact CE1-CD1 3.53Å; Y306-L310 HydrophobicContact CE1-CG 4.39Å; Y306-L310 HydrophobicContact CE2-CD1 4.07Å; Y306-L310 HydrophobicContact CE2-CD2 4.33Å; Y306-L310 HydrophobicContact CE2-CG 4.17Å; Y306-L310 VanDerWaalsContact CZ-CD1 3.48Å; Y306-L310 WeakPolarHBondContact O-CG 3.42Å; Y306-L310 PolarHBondContact O-N 3.49Å; Y306-C358 HydrophobicContact CD2-CB 4.16Å; Y306-C358 HydrophobicContact CE2-CB 4.17Å; Y306-L360 HydrophobicContact CD1-CB 4.47Å; Y306-L360 HydrophobicContact CD2-CB 4.18Å; Y306-L360 HydrophobicContact CE2-CB 4.47Å; Y306-L360 HydrophobicContact CG-CB 4.17Å; Y306-L360 HydrophobicContact CG-CD1 4.4Å |
| 307 | E | 91.4 | Very high | 90.5 | Very high | 64 Ų | 64 | 40.5 Ų | 40.5 | 30% | 0.299 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.7 | -38.1 | 178.6 | -73.7 | 178.3 | -177.7 | 0 | 0 | 112.2 | H218 T303 F304 L310 K311 | H218-E307 IonicContact CD2-OE1 3.48Å; H218-E307 IonicContact NE2-OE1 3.56Å; H218-E307 PolarHBondContact NE2-OE1 3.4Å; T303-E307 WeakPolarHBondContact O-CB 3.42Å; T303-E307 WeakPolarHBondContact O-CG 3.4Å; T303-E307 PolarHBondContact O-N 3.07Å; F304-E307 PolarHBondContact O-N 3.5Å; E307-L310 PolarHBondContact O-N 3.1Å; E307-K311 WeakPolarHBondContact O-CG 3.37Å; E307-K311 PolarHBondContact O-N 3.25Å |
| 308 | N | 89.9 | Confident | 90.3 | Very high | 49 Ų | 49 | 40.8 Ų | 40.8 | 26% | 0.262 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -68.7 | -36.6 | 175 | -75.8 | -22.2 | 0 | 0 | 0 | 112.7 | F304 N305 Y306 K311 K312 | F304-N308 VanDerWaalsContact CD1-ND2 3.32Å; F304-N308 WeakPolarHBondContact CD1-ND2 3.2Å; F304-N308 WeakPolarHBondContact CE1-ND2 3.36Å; F304-N308 VanDerWaalsContact CZ-ND2 3.32Å; F304-N308 WeakPolarHBondContact CZ-ND2 3.21Å; F304-N308 WeakPolarHBondContact O-CB 3.45Å; F304-N308 VanDerWaalsContact O-CG 3.3Å; F304-N308 PolarHBondContact O-N 2.83Å; F304-N308 PolarHBondContact O-ND2 3.22Å; N305-N308 PolarHBondContact O-N 3.07Å; Y306-N308 VanDerWaalsContact C-N 3.32Å; Y306-N308 PolarHBondContact O-N 3.07Å; N308-K311 PolarHBondContact O-N 3.39Å; N308-K312 WeakPolarHBondContact O-CG 3.49Å; N308-K312 PolarHBondContact O-N 3.24Å |
| 309 | C | 90.3 | Very high | 90.3 | Very high | 14 Ų | 14 | 45.5 Ų | 45.5 | 10% | 0.095 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | 172.2 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | N305 Y306 K311 K312 V313 C358 | N305-C309 WeakPolarHBondContact O-CB 3.12Å; N305-C309 PolarHBondContact O-N 2.7Å; Y306-C309 WeakPolarHBondContact O-CB 3.3Å; Y306-C309 PolarHBondContact O-N 3.24Å; C309-K311 PolarHBondContact O-N 3.45Å; C309-K312 PolarHBondContact O-N 3.36Å; C309-V313 WeakPolarHBondContact O-CG2 3.41Å; C309-V313 PolarHBondContact O-N 2.72Å; C309-C358 HydrophobicContact CB-CB 3.81Å; C309-C358 WeakPolarHBondContact CB-SG 3.49Å; C309-C358 WeakPolarHBondContact SG-CB 3.44Å; C309-C358 CovalentContact SG-SG 2.04Å; C309-C358 PolarHBondContact SG-SG 3.14Å |
| 310 | L | 90.4 | Very high | 90 | Very high | 15 Ų | 15 | 47 Ų | 47 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.3 | -46.2 | 176.6 | -68.6 | 179.9 | 0 | 0 | 0 | 112.1 | Y306 E307 K312 V313 T314 A330 L333 C358 | Y306-L310 HydrophobicContact CD1-CD1 4.16Å; Y306-L310 HydrophobicContact CE1-CD1 3.53Å; Y306-L310 HydrophobicContact CE1-CG 4.39Å; Y306-L310 HydrophobicContact CE2-CD1 4.07Å; Y306-L310 HydrophobicContact CE2-CD2 4.33Å; Y306-L310 HydrophobicContact CE2-CG 4.17Å; Y306-L310 VanDerWaalsContact CZ-CD1 3.48Å; Y306-L310 WeakPolarHBondContact O-CG 3.42Å; Y306-L310 PolarHBondContact O-N 3.49Å; E307-L310 PolarHBondContact O-N 3.1Å; L310-K312 VanDerWaalsContact C-N 3.33Å; L310-K312 PolarHBondContact O-N 3.45Å; L310-V313 PolarHBondContact O-N 2.96Å; L310-T314 WeakPolarHBondContact O-CB 3.24Å; L310-T314 PolarHBondContact O-N 3.03Å; L310-T314 PolarHBondContact O-OG1 2.68Å; L310-T314 VanDerWaalsContact O-OG1 3.13Å; L310-A330 HydrophobicContact CD1-CB 3.93Å; L310-L333 HydrophobicContact CD2-CD2 3.6Å; L310-C358 HydrophobicContact CD2-CB 3.86Å; L310-C358 HydrophobicContact CG-CB 4.31Å |
| 311 | K | 89.4 | Confident | 89.8 | Confident | 128 Ų | 128 | 47 Ų | 47 | 56% | 0.557 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -58.2 | -42.9 | 177.5 | -75.7 | 172.1 | -175.1 | 170.5 | 0 | 112.3 | E307 N308 C309 T314 L315 | E307-K311 WeakPolarHBondContact O-CG 3.37Å; E307-K311 PolarHBondContact O-N 3.25Å; N308-K311 PolarHBondContact O-N 3.39Å; C309-K311 PolarHBondContact O-N 3.45Å; K311-T314 PolarHBondContact O-N 3.15Å; K311-L315 WeakPolarHBondContact O-CB 3.28Å; K311-L315 PolarHBondContact O-N 3.47Å |
| 312 | K | 88.8 | Confident | 89.6 | Confident | 159 Ų | 159 | 52.6 Ų | 52.6 | 69% | 0.691 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -63.1 | -44 | 176.8 | -74.7 | 179.9 | 179.2 | -174.3 | 0 | 111.8 | N308 C309 L310 L315 L316 | N308-K312 WeakPolarHBondContact O-CG 3.49Å; N308-K312 PolarHBondContact O-N 3.24Å; C309-K312 PolarHBondContact O-N 3.36Å; L310-K312 VanDerWaalsContact C-N 3.33Å; L310-K312 PolarHBondContact O-N 3.45Å; K312-L315 PolarHBondContact O-N 3.04Å; K312-L316 WeakPolarHBondContact O-CB 3.46Å; K312-L316 PolarHBondContact O-N 2.84Å |
| 313 | V | 88.8 | Confident | 89.4 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 177.2 | 172 | 0 | 0 | 0 | 0 | 110.9 | C309 L310 L316 L317 L333 I355 | C309-V313 WeakPolarHBondContact O-CG2 3.41Å; C309-V313 PolarHBondContact O-N 2.72Å; L310-V313 PolarHBondContact O-N 2.96Å; V313-L316 PolarHBondContact O-N 3.38Å; V313-L317 HydrophobicContact CG1-CD1 4.07Å; V313-L317 WeakPolarHBondContact O-CG 3.23Å; V313-L317 PolarHBondContact O-N 3.06Å; V313-L333 HydrophobicContact CG1-CD1 4.38Å; V313-L333 HydrophobicContact CG1-CD2 4.33Å; V313-I355 HydrophobicContact CG1-CG2 4.07Å |
| 314 | T | 88.3 | Confident | 89.1 | Confident | 26 Ų | 26 | 61.9 Ų | 61.9 | 16% | 0.16 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.8 | -50.2 | 175.6 | -67.3 | 0 | 0 | 0 | 0 | 110.9 | L310 K311 L316 L317 T318 L328 | L310-T314 WeakPolarHBondContact O-CB 3.24Å; L310-T314 PolarHBondContact O-N 3.03Å; L310-T314 PolarHBondContact O-OG1 2.68Å; L310-T314 VanDerWaalsContact O-OG1 3.13Å; K311-T314 PolarHBondContact O-N 3.15Å; T314-L316 VanDerWaalsContact C-N 3.33Å; T314-L316 PolarHBondContact O-N 3.22Å; T314-L317 PolarHBondContact O-N 2.95Å; T314-T318 WeakPolarHBondContact O-CB 3.48Å; T314-T318 PolarHBondContact O-N 3.33Å; T314-T318 PolarHBondContact O-OG1 2.71Å; T314-L328 HydrophobicContact CG2-CB 3.61Å; T314-L328 HydrophobicContact CG2-CD1 4.45Å |
| 315 | L | 88.2 | Confident | 88.6 | Confident | 110 Ų | 110 | 66 Ų | 66 | 58% | 0.576 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.2 | -40.1 | 179.8 | -175.7 | 139.2 | 0 | 0 | 0 | 112.2 | K311 K312 N319 | K311-L315 WeakPolarHBondContact O-CB 3.28Å; K311-L315 PolarHBondContact O-N 3.47Å; K312-L315 PolarHBondContact O-N 3.04Å; L315-N319 WeakPolarHBondContact CD2-ND2 3.5Å; L315-N319 WeakPolarHBondContact O-CB 3.18Å; L315-N319 VanDerWaalsContact O-CG 3.23Å; L315-N319 PolarHBondContact O-N 3.21Å; L315-N319 PolarHBondContact O-ND2 3.06Å |
| 316 | L | 87.6 | Confident | 88.1 | Confident | 52 Ų | 52 | 67.3 Ų | 67.3 | 27% | 0.272 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60 | -47.3 | 174.3 | 178.8 | 65.2 | 0 | 0 | 0 | 111.5 | K312 V313 T314 T320 V351 H354 | K312-L316 WeakPolarHBondContact O-CB 3.46Å; K312-L316 PolarHBondContact O-N 2.84Å; V313-L316 PolarHBondContact O-N 3.38Å; T314-L316 VanDerWaalsContact C-N 3.33Å; T314-L316 PolarHBondContact O-N 3.22Å; L316-T320 WeakPolarHBondContact O-CB 3.27Å; L316-T320 PolarHBondContact O-N 3.33Å; L316-T320 PolarHBondContact O-OG1 3.44Å; L316-V351 HydrophobicContact CD1-CG1 4.25Å; L316-V351 HydrophobicContact CD2-CG1 3.69Å; L316-V351 HydrophobicContact CG-CG1 3.8Å; L316-H354 HydrophobicContact CD2-CB 3.91Å |
| 317 | L | 87.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.9 | -44.1 | 179.1 | -69.7 | 174.3 | 0 | 0 | 0 | 111.9 | V313 T314 N319 T320 F321 L328 L333 K337 L340 I355 | V313-L317 HydrophobicContact CG1-CD1 4.07Å; V313-L317 WeakPolarHBondContact O-CG 3.23Å; V313-L317 PolarHBondContact O-N 3.06Å; T314-L317 PolarHBondContact O-N 2.95Å; L317-N319 VanDerWaalsContact C-N 3.33Å; L317-N319 PolarHBondContact O-N 3.37Å; L317-T320 PolarHBondContact O-N 3.09Å; L317-F321 HydrophobicContact CD2-CD2 4.08Å; L317-F321 HydrophobicContact CD2-CE2 3.75Å; L317-F321 WeakPolarHBondContact O-CB 3.45Å; L317-F321 WeakPolarHBondContact O-CD2 3.46Å; L317-F321 PolarHBondContact O-N 3.23Å; L317-L328 HydrophobicContact CB-CD1 3.78Å; L317-L333 HydrophobicContact CD1-CD1 3.88Å; L317-K337 HydrophobicContact CD1-CG 4.18Å; L317-L340 HydrophobicContact CD2-CD1 4.27Å; L317-I355 HydrophobicContact CD2-CD1 4.05Å |
| 318 | T | 88.4 | Confident | 87.1 | Confident | 12 Ų | 12 | 66.7 Ų | 66.7 | 7% | 0.074 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.7 | -47.5 | 176.9 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | T314 D322 L323 | T314-T318 WeakPolarHBondContact O-CB 3.48Å; T314-T318 PolarHBondContact O-N 3.33Å; T314-T318 PolarHBondContact O-OG1 2.71Å; T318-D322 VanDerWaalsContact O-CA 3.3Å; T318-D322 WeakPolarHBondContact O-CA 3.41Å; T318-D322 PolarHBondContact O-N 2.81Å; T318-L323 HydrophobicContact CG2-CB 4.29Å; T318-L323 WeakPolarHBondContact CG2-O 3.44Å; T318-L323 PolarHBondContact O-N 3.49Å |
| 319 | N | 89.3 | Confident | 86.8 | Confident | 106 Ų | 106 | 67 Ų | 67 | 57% | 0.567 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -71.6 | -31.5 | -179.9 | -69 | -18.1 | 0 | 0 | 0 | 113.6 | L315 L317 | L315-N319 WeakPolarHBondContact CD2-ND2 3.5Å; L315-N319 WeakPolarHBondContact O-CB 3.18Å; L315-N319 VanDerWaalsContact O-CG 3.23Å; L315-N319 PolarHBondContact O-N 3.21Å; L315-N319 PolarHBondContact O-ND2 3.06Å; L317-N319 VanDerWaalsContact C-N 3.33Å; L317-N319 PolarHBondContact O-N 3.37Å |
| 320 | T | 88.3 | Confident | 86.1 | Confident | 31 Ų | 31 | 69.8 Ų | 69.8 | 19% | 0.19 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -76.7 | -38 | -178.8 | -57.7 | 0 | 0 | 0 | 0 | 112 | L316 L317 K347 V351 | L316-T320 WeakPolarHBondContact O-CB 3.27Å; L316-T320 PolarHBondContact O-N 3.33Å; L316-T320 PolarHBondContact O-OG1 3.44Å; L317-T320 PolarHBondContact O-N 3.09Å; T320-K347 PolarHBondContact O-NZ 3.45Å; T320-V351 HydrophobicContact CG2-CG2 3.48Å; T320-V351 VanDerWaalsContact CG2-CG2 3.48Å |
| 321 | F | 88.8 | Confident | 85.7 | Confident | 21 Ų | 21 | 74.5 Ų | 74.5 | 9% | 0.092 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -103.9 | 6.4 | -174.6 | -66.8 | -78.7 | 0 | 0 | 0 | 113.2 | L317 L323 L340 Y344 K347 Y348 | L317-F321 HydrophobicContact CD2-CD2 4.08Å; L317-F321 HydrophobicContact CD2-CE2 3.75Å; L317-F321 WeakPolarHBondContact O-CB 3.45Å; L317-F321 WeakPolarHBondContact O-CD2 3.46Å; L317-F321 PolarHBondContact O-N 3.23Å; F321-L323 VanDerWaalsContact C-N 3.26Å; F321-L323 HydrophobicContact CB-CD1 4.11Å; F321-L323 HydrophobicContact CB-CD2 4.3Å; F321-L323 HydrophobicContact CB-CG 3.87Å; F321-L323 PolarHBondContact O-N 3.2Å; F321-L340 HydrophobicContact CB-CD2 4.25Å; F321-L340 HydrophobicContact CD1-CD2 3.8Å; F321-L340 HydrophobicContact CD2-CD1 3.84Å; F321-L340 HydrophobicContact CD2-CD2 4.2Å; F321-L340 HydrophobicContact CE1-CD2 4.17Å; F321-L340 HydrophobicContact CE2-CD1 4.02Å; F321-L340 HydrophobicContact CG-CD1 4.28Å; F321-L340 HydrophobicContact CG-CD2 3.82Å; F321-L340 HydrophobicContact CZ-CB 4.35Å; F321-Y344 HydrophobicContact CD1-CD2 4.01Å; F321-Y344 HydrophobicContact CD1-CG 4.39Å; F321-Y344 HydrophobicContact CE1-CD2 4.07Å; F321-Y344 HydrophobicContact CE1-CG 4.16Å; F321-K347 HydrophobicContact CD1-CD 4.48Å; F321-K347 HydrophobicContact CE1-CB 3.97Å; F321-K347 HydrophobicContact CE1-CD 4.35Å; F321-K347 HydrophobicContact CZ-CB 4.37Å; F321-Y348 HydrophobicContact CE2-CD2 4.44Å; F321-Y348 HydrophobicContact CZ-CD2 4.11Å |
| 322 | D | 87.8 | Confident | 85.5 | Confident | 137 Ų | 137 | 70.1 Ų | 70.1 | 73% | 0.733 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 46 | -179.7 | -59.6 | -56.7 | 0 | 0 | 0 | 112.4 | T318 | T318-D322 VanDerWaalsContact O-CA 3.3Å; T318-D322 WeakPolarHBondContact O-CA 3.41Å; T318-D322 PolarHBondContact O-N 2.81Å |
| 323 | L | 88.1 | Confident | 85.3 | Confident | 43 Ų | 43 | 62.7 Ų | 62.7 | 23% | 0.225 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 154 | -179.8 | -57.4 | 169.3 | 0 | 0 | 0 | 110.4 | T318 F321 F327 L328 L340 | T318-L323 HydrophobicContact CG2-CB 4.29Å; T318-L323 WeakPolarHBondContact CG2-O 3.44Å; T318-L323 PolarHBondContact O-N 3.49Å; F321-L323 VanDerWaalsContact C-N 3.26Å; F321-L323 HydrophobicContact CB-CD1 4.11Å; F321-L323 HydrophobicContact CB-CD2 4.3Å; F321-L323 HydrophobicContact CB-CG 3.87Å; F321-L323 PolarHBondContact O-N 3.2Å; L323-F327 HydrophobicContact CB-CD1 4.5Å; L323-F327 HydrophobicContact CD1-CD1 4.43Å; L323-F327 HydrophobicContact CD2-CD1 4.35Å; L323-F327 HydrophobicContact CD2-CE1 4.45Å; L323-L328 HydrophobicContact CD1-CD1 3.4Å; L323-L328 HydrophobicContact CD1-CG 4.07Å; L323-L340 HydrophobicContact CD1-CD1 4.46Å |
| 324 | E | 86.9 | Confident | 85.1 | Confident | 162 Ų | 162 | 68.5 Ų | 68.5 | 76% | 0.757 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 141.7 | 175.9 | -166.3 | 174.5 | -171.9 | 0 | 0 | 111.3 | G326 F327 | E324-G326 PolarHBondContact O-N 3.11Å; E324-F327 WeakPolarHBondContact O-CB 3.38Å; E324-F327 PolarHBondContact O-N 3.45Å |
| 325 | D | 81 | Confident | 85.1 | Confident | 148 Ų | 148 | 74.7 Ų | 74.7 | 79% | 0.791 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 125.6 | 177.3 | -78.1 | -30.9 | 0 | 0 | 0 | 110.8 | ||
| 326 | G | 78.4 | Confident | 85 | Confident | 61 Ų | 61 | 70.2 Ų | 70.2 | 63% | 0.629 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | -5.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | E324 | E324-G326 PolarHBondContact O-N 3.11Š|
| 327 | F | 81.9 | Confident | 84.9 | Confident | 112 Ų | 112 | 68.5 Ų | 68.5 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -41.2 | 171.3 | -179.3 | -99.5 | 0 | 0 | 0 | 111.8 | L323 E324 N332 V336 | L323-F327 HydrophobicContact CB-CD1 4.5Å; L323-F327 HydrophobicContact CD1-CD1 4.43Å; L323-F327 HydrophobicContact CD2-CD1 4.35Å; L323-F327 HydrophobicContact CD2-CE1 4.45Å; E324-F327 WeakPolarHBondContact O-CB 3.38Å; E324-F327 PolarHBondContact O-N 3.45Å; F327-N332 PolarHBondContact O-ND2 3.37Å; F327-V336 HydrophobicContact CE1-CG1 4.44Å; F327-V336 HydrophobicContact CE1-CG2 4.49Å |
| 328 | L | 81.7 | Confident | 84.9 | Confident | 9 Ų | 9 | 70.6 Ų | 70.6 | 5% | 0.047 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -89.9 | 121.9 | 174.5 | -85.1 | 162.6 | 0 | 0 | 0 | 110.7 | T314 L317 L323 L333 V336 | T314-L328 HydrophobicContact CG2-CB 3.61Å; T314-L328 HydrophobicContact CG2-CD1 4.45Å; L317-L328 HydrophobicContact CB-CD1 3.78Å; L323-L328 HydrophobicContact CD1-CD1 3.4Å; L323-L328 HydrophobicContact CD1-CG 4.07Å; L328-L333 HydrophobicContact CD2-CD1 3.88Å; L328-V336 HydrophobicContact CD2-CB 3.7Å; L328-V336 HydrophobicContact CD2-CG1 3.55Å; L328-V336 HydrophobicContact CD2-CG2 4.13Å; L328-V336 HydrophobicContact CG-CG1 4.32Å |
| 329 | T | 82 | Confident | 84.9 | Confident | 57 Ų | 57 | 76.8 Ų | 76.8 | 35% | 0.35 | 43% | 0.427 | S | S | . | . | trans | -125.5 | 161.4 | 176.6 | 58.7 | 0 | 0 | 0 | 0 | 109.9 | S331 N332 L333 | T329-S331 PolarHBondContact O-N 3.38Å; T329-S331 VanDerWaalsContact O-N 3.12Å; T329-S331 PolarHBondContact OG1-OG 3.44Å; T329-N332 PolarHBondContact N-OD1 3.1Å; T329-N332 PolarHBondContact O-N 2.95Å; T329-N332 PolarHBondContact O-OD1 3.29Å; T329-N332 PolarHBondContact OG1-ND2 2.85Å; T329-N332 PolarHBondContact OG1-OD1 3.42Å; T329-L333 WeakPolarHBondContact O-CB 3.46Å; T329-L333 PolarHBondContact O-N 3.38Å; T329-L333 VanDerWaalsContact O-N 3.08Å | ||
| 330 | A | 77.1 | Confident | 84.9 | Confident | 71 Ų | 71 | 71.9 Ų | 71.9 | 59% | 0.587 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -28 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L310 | L310-A330 HydrophobicContact CD1-CB 3.93Š|
| 331 | S | 81.2 | Confident | 84.9 | Confident | 114 Ų | 114 | 72.1 Ų | 72.1 | 80% | 0.797 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -29.5 | -179.3 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | T329 | T329-S331 PolarHBondContact O-N 3.38Å; T329-S331 VanDerWaalsContact O-N 3.12Å; T329-S331 PolarHBondContact OG1-OG 3.44Å |
| 332 | N | 85.9 | Confident | 85 | Confident | 37 Ų | 37 | 75.4 Ų | 75.4 | 20% | 0.198 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -5.6 | -178.7 | 72.2 | 13.9 | 0 | 0 | 0 | 113.4 | F327 T329 E334 Q335 V336 | F327-N332 PolarHBondContact O-ND2 3.37Å; T329-N332 PolarHBondContact N-OD1 3.1Å; T329-N332 PolarHBondContact O-N 2.95Å; T329-N332 PolarHBondContact O-OD1 3.29Å; T329-N332 PolarHBondContact OG1-ND2 2.85Å; T329-N332 PolarHBondContact OG1-OD1 3.42Å; N332-E334 PolarHBondContact O-N 3.41Å; N332-Q335 PolarHBondContact O-N 3.26Å; N332-V336 HydrophobicContact CB-CG2 4.33Å; N332-V336 WeakPolarHBondContact O-CG2 3.17Å; N332-V336 PolarHBondContact O-N 3.03Å |
| 333 | L | 84.9 | Confident | 85.1 | Confident | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.01 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -55.4 | -46.8 | -172.1 | -176.7 | 64.5 | 0 | 0 | 0 | 113.3 | L310 V313 L317 L328 T329 V336 K337 | L310-L333 HydrophobicContact CD2-CD2 3.6Å; V313-L333 HydrophobicContact CG1-CD1 4.38Å; V313-L333 HydrophobicContact CG1-CD2 4.33Å; L317-L333 HydrophobicContact CD1-CD1 3.88Å; L328-L333 HydrophobicContact CD2-CD1 3.88Å; T329-L333 WeakPolarHBondContact O-CB 3.46Å; T329-L333 PolarHBondContact O-N 3.38Å; T329-L333 VanDerWaalsContact O-N 3.08Å; L333-V336 PolarHBondContact O-N 3.25Å; L333-K337 HydrophobicContact CG-CD 4.34Å; L333-K337 WeakPolarHBondContact O-CB 3.07Å; L333-K337 VanDerWaalsContact O-CG 3.25Å; L333-K337 WeakPolarHBondContact O-CG 3.42Å; L333-K337 PolarHBondContact O-N 3.29Å |
| 334 | E | 84.7 | Confident | 85.2 | Confident | 127 Ų | 127 | 74.6 Ų | 74.6 | 59% | 0.593 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -67.1 | -38.9 | -179.4 | -70.6 | -54.2 | 130.8 | 0 | 0 | 112.5 | N332 K337 G338 | N332-E334 PolarHBondContact O-N 3.41Å; E334-K337 IonicContact OE1-NZ 3.66Å; E334-K337 PolarHBondContact OE1-NZ 3.44Å; E334-G338 PolarHBondContact O-N 3.1Å; E334-G338 VanDerWaalsContact O-N 3.14Å |
| 335 | Q | 86.8 | Confident | 85.3 | Confident | 157 Ų | 157 | 70.9 Ų | 70.9 | 73% | 0.734 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66 | -44.2 | 176.1 | -173.9 | -178.9 | 2.9 | 0 | 0 | 111.2 | N332 G338 Y339 | N332-Q335 PolarHBondContact O-N 3.26Å; Q335-G338 PolarHBondContact O-N 3.46Å; Q335-Y339 PolarHBondContact O-N 3.26Å |
| 336 | V | 86.2 | Confident | 85.6 | Confident | 15 Ų | 15 | 67.9 Ų | 67.9 | 9% | 0.091 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -69.7 | -36 | 179.8 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | F327 L328 N332 L333 G338 Y339 L340 | F327-V336 HydrophobicContact CE1-CG1 4.44Å; F327-V336 HydrophobicContact CE1-CG2 4.49Å; L328-V336 HydrophobicContact CD2-CB 3.7Å; L328-V336 HydrophobicContact CD2-CG1 3.55Å; L328-V336 HydrophobicContact CD2-CG2 4.13Å; L328-V336 HydrophobicContact CG-CG1 4.32Å; N332-V336 HydrophobicContact CB-CG2 4.33Å; N332-V336 WeakPolarHBondContact O-CG2 3.17Å; N332-V336 PolarHBondContact O-N 3.03Å; L333-V336 PolarHBondContact O-N 3.25Å; V336-G338 VanDerWaalsContact C-N 3.33Å; V336-G338 PolarHBondContact O-N 2.95Å; V336-Y339 PolarHBondContact O-N 3.49Å; V336-L340 HydrophobicContact CG1-CD1 3.85Å; V336-L340 HydrophobicContact CG1-CG 4.01Å; V336-L340 WeakPolarHBondContact O-CB 3.24Å; V336-L340 VanDerWaalsContact O-CG 3.28Å; V336-L340 WeakPolarHBondContact O-CG 3.5Å; V336-L340 PolarHBondContact O-N 3.22Å |
| 337 | K | 86.9 | Confident | 86 | Confident | 17 Ų | 17 | 69 Ų | 69 | 7% | 0.074 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -55.8 | -47.6 | 169.9 | -79.1 | 172.4 | -179.2 | 172.7 | 0 | 111.4 | L317 L333 E334 Y339 L340 A341 | L317-K337 HydrophobicContact CD1-CG 4.18Å; L333-K337 HydrophobicContact CG-CD 4.34Å; L333-K337 WeakPolarHBondContact O-CB 3.07Å; L333-K337 VanDerWaalsContact O-CG 3.25Å; L333-K337 WeakPolarHBondContact O-CG 3.42Å; L333-K337 PolarHBondContact O-N 3.29Å; E334-K337 IonicContact OE1-NZ 3.66Å; E334-K337 PolarHBondContact OE1-NZ 3.44Å; K337-Y339 VanDerWaalsContact C-N 3.35Å; K337-Y339 PolarHBondContact O-N 3.48Å; K337-L340 PolarHBondContact O-N 2.96Å; K337-A341 VanDerWaalsContact O-CB 3.31Å; K337-A341 WeakPolarHBondContact O-CB 3.26Å; K337-A341 PolarHBondContact O-N 3Å |
| 338 | G | 87.4 | Confident | 86.2 | Confident | 44 Ų | 44 | 65.2 Ų | 65.2 | 45% | 0.454 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E334 Q335 V336 S342 | E334-G338 PolarHBondContact O-N 3.1Å; E334-G338 VanDerWaalsContact O-N 3.14Å; Q335-G338 PolarHBondContact O-N 3.46Å; V336-G338 VanDerWaalsContact C-N 3.33Å; V336-G338 PolarHBondContact O-N 2.95Å; G338-S342 PolarHBondContact O-N 3.13Å; G338-S342 PolarHBondContact O-OG 3.17Å |
| 339 | Y | 88.4 | Confident | 86.4 | Confident | 142 Ų | 142 | 68.3 Ų | 68.3 | 56% | 0.557 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.8 | -50.8 | 175.2 | 175.3 | -101.1 | 0 | 0 | 0 | 112.2 | Q335 V336 K337 A341 S342 A343 | Q335-Y339 PolarHBondContact O-N 3.26Å; V336-Y339 PolarHBondContact O-N 3.49Å; K337-Y339 VanDerWaalsContact C-N 3.35Å; K337-Y339 PolarHBondContact O-N 3.48Å; Y339-A341 VanDerWaalsContact C-N 3.33Å; Y339-A341 PolarHBondContact O-N 2.95Å; Y339-S342 PolarHBondContact O-N 3.17Å; Y339-S342 VanDerWaalsContact O-N 3.08Å; Y339-S342 PolarHBondContact O-OG 2.96Å; Y339-A343 HydrophobicContact CE1-CB 4.28Å; Y339-A343 HydrophobicContact CE2-CB 4.45Å; Y339-A343 WeakPolarHBondContact O-CB 3.34Å; Y339-A343 PolarHBondContact O-N 3.22Å |
| 340 | L | 87.7 | Confident | 86.6 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.016 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62 | -39.5 | -179.9 | -69.7 | 172.5 | 0 | 0 | 0 | 112.1 | L317 F321 L323 V336 K337 S342 A343 Y344 Y348 | L317-L340 HydrophobicContact CD2-CD1 4.27Å; F321-L340 HydrophobicContact CB-CD2 4.25Å; F321-L340 HydrophobicContact CD1-CD2 3.8Å; F321-L340 HydrophobicContact CD2-CD1 3.84Å; F321-L340 HydrophobicContact CD2-CD2 4.2Å; F321-L340 HydrophobicContact CE1-CD2 4.17Å; F321-L340 HydrophobicContact CE2-CD1 4.02Å; F321-L340 HydrophobicContact CG-CD1 4.28Å; F321-L340 HydrophobicContact CG-CD2 3.82Å; F321-L340 HydrophobicContact CZ-CB 4.35Å; L323-L340 HydrophobicContact CD1-CD1 4.46Å; V336-L340 HydrophobicContact CG1-CD1 3.85Å; V336-L340 HydrophobicContact CG1-CG 4.01Å; V336-L340 WeakPolarHBondContact O-CB 3.24Å; V336-L340 VanDerWaalsContact O-CG 3.28Å; V336-L340 WeakPolarHBondContact O-CG 3.5Å; V336-L340 PolarHBondContact O-N 3.22Å; K337-L340 PolarHBondContact O-N 2.96Å; L340-S342 VanDerWaalsContact C-N 3.26Å; L340-S342 PolarHBondContact O-N 3.17Å; L340-A343 PolarHBondContact O-N 2.92Å; L340-Y344 HydrophobicContact CD2-CD2 4.16Å; L340-Y344 CarbonylContact O-C 3.55Å; L340-Y344 PolarHBondContact O-N 3Å; L340-Y348 HydrophobicContact CB-CD2 3.98Å; L340-Y348 HydrophobicContact CB-CE2 4.3Å |
| 341 | A | 88.9 | Confident | 87.1 | Confident | 36 Ų | 36 | 69.5 Ų | 69.5 | 30% | 0.298 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.2 | -36 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K337 Y339 Y348 | K337-A341 VanDerWaalsContact O-CB 3.31Å; K337-A341 WeakPolarHBondContact O-CB 3.26Å; K337-A341 PolarHBondContact O-N 3Å; Y339-A341 VanDerWaalsContact C-N 3.33Å; Y339-A341 PolarHBondContact O-N 2.95Å; A341-Y348 HydrophobicContact CB-CD1 3.8Å; A341-Y348 HydrophobicContact CB-CD2 4.29Å; A341-Y348 HydrophobicContact CB-CE1 3.77Å; A341-Y348 HydrophobicContact CB-CE2 4.27Å; A341-Y348 HydrophobicContact CB-CG 4.07Å |
| 342 | S | 90.4 | Very high | 87.2 | Confident | 90 Ų | 90 | 70.2 Ų | 70.2 | 63% | 0.629 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -81.3 | -39.2 | 178.4 | 71.8 | 0 | 0 | 0 | 0 | 113.8 | G338 Y339 L340 | G338-S342 PolarHBondContact O-N 3.13Å; G338-S342 PolarHBondContact O-OG 3.17Å; Y339-S342 PolarHBondContact O-N 3.17Å; Y339-S342 VanDerWaalsContact O-N 3.08Å; Y339-S342 PolarHBondContact O-OG 2.96Å; L340-S342 VanDerWaalsContact C-N 3.26Å; L340-S342 PolarHBondContact O-N 3.17Å |
| 343 | A | 90.3 | Very high | 87.1 | Confident | 41 Ų | 41 | 73.1 Ų | 73.1 | 34% | 0.339 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -80.8 | -34.4 | -175 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y339 L340 | Y339-A343 HydrophobicContact CE1-CB 4.28Å; Y339-A343 HydrophobicContact CE2-CB 4.45Å; Y339-A343 WeakPolarHBondContact O-CB 3.34Å; Y339-A343 PolarHBondContact O-N 3.22Å; L340-A343 PolarHBondContact O-N 2.92Å |
| 344 | Y | 90.2 | Very high | 87 | Confident | 122 Ų | 122 | 79.6 Ų | 79.6 | 48% | 0.478 | 43% | 0.428 | S | S | . | . | trans | -134.1 | 62.3 | -175.3 | -58.1 | -71.4 | 0 | 0 | 0 | 112.1 | F321 L340 S346 K347 Y348 | F321-Y344 HydrophobicContact CD1-CD2 4.01Å; F321-Y344 HydrophobicContact CD1-CG 4.39Å; F321-Y344 HydrophobicContact CE1-CD2 4.07Å; F321-Y344 HydrophobicContact CE1-CG 4.16Å; L340-Y344 HydrophobicContact CD2-CD2 4.16Å; L340-Y344 CarbonylContact O-C 3.55Å; L340-Y344 PolarHBondContact O-N 3Å; Y344-S346 VanDerWaalsContact C-N 3.34Å; Y344-S346 PolarHBondContact O-N 2.6Å; Y344-K347 PolarHBondContact O-N 3.33Å; Y344-Y348 VanDerWaalsContact O-CB 3.26Å; Y344-Y348 WeakPolarHBondContact O-CB 3.28Å; Y344-Y348 PolarHBondContact O-N 3.17Å | ||
| 345 | P | 88.3 | Confident | 87 | Confident | 83 Ų | 83 | 74.8 Ų | 74.8 | 54% | 0.539 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.8 | -36.4 | -170.9 | 20.6 | -31.8 | 0 | 0 | 0 | 114.1 | S349 | P345-S349 WeakPolarHBondContact O-CB 3.44Å; P345-S349 PolarHBondContact O-N 3.1Å; P345-S349 PolarHBondContact O-OG 3.12Å |
| 346 | S | 87.6 | Confident | 86.8 | Confident | 85 Ų | 85 | 73.6 Ų | 73.6 | 59% | 0.594 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -66.7 | -55.4 | 177.7 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | Y344 Y348 S349 E350 | Y344-S346 VanDerWaalsContact C-N 3.34Å; Y344-S346 PolarHBondContact O-N 2.6Å; S346-Y348 VanDerWaalsContact C-N 3.28Å; S346-Y348 PolarHBondContact O-N 3.23Å; S346-S349 PolarHBondContact O-N 3.49Å; S346-S349 VanDerWaalsContact O-N 3.16Å; S346-S349 PolarHBondContact O-OG 3.4Å; S346-E350 PolarHBondContact O-N 2.98Å |
| 347 | K | 86.5 | Confident | 86.7 | Confident | 86 Ų | 86 | 79.5 Ų | 79.5 | 37% | 0.374 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.1 | -38.5 | 177.3 | -115.7 | -172.4 | 179.7 | -163.5 | 0 | 112.1 | T320 F321 Y344 E350 | T320-K347 PolarHBondContact O-NZ 3.45Å; F321-K347 HydrophobicContact CD1-CD 4.48Å; F321-K347 HydrophobicContact CE1-CB 3.97Å; F321-K347 HydrophobicContact CE1-CD 4.35Å; F321-K347 HydrophobicContact CZ-CB 4.37Å; Y344-K347 PolarHBondContact O-N 3.33Å; K347-E350 PolarHBondContact O-N 3.19Å |
| 348 | Y | 87.4 | Confident | 86.8 | Confident | 31 Ų | 31 | 79.6 Ų | 79.6 | 12% | 0.122 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -67.2 | -39.2 | 178.2 | -169.3 | -92.4 | 0 | 0 | 0 | 112 | F321 L340 A341 Y344 S346 E350 V351 F352 I355 | F321-Y348 HydrophobicContact CE2-CD2 4.44Å; F321-Y348 HydrophobicContact CZ-CD2 4.11Å; L340-Y348 HydrophobicContact CB-CD2 3.98Å; L340-Y348 HydrophobicContact CB-CE2 4.3Å; A341-Y348 HydrophobicContact CB-CD1 3.8Å; A341-Y348 HydrophobicContact CB-CD2 4.29Å; A341-Y348 HydrophobicContact CB-CE1 3.77Å; A341-Y348 HydrophobicContact CB-CE2 4.27Å; A341-Y348 HydrophobicContact CB-CG 4.07Å; Y344-Y348 VanDerWaalsContact O-CB 3.26Å; Y344-Y348 WeakPolarHBondContact O-CB 3.28Å; Y344-Y348 PolarHBondContact O-N 3.17Å; S346-Y348 VanDerWaalsContact C-N 3.28Å; S346-Y348 PolarHBondContact O-N 3.23Å; Y348-E350 VanDerWaalsContact C-N 3.27Å; Y348-E350 PolarHBondContact O-N 2.86Å; Y348-V351 PolarHBondContact O-N 2.84Å; Y348-F352 HydrophobicContact CE1-CB 4.47Å; Y348-F352 AromaticContact CE1-CD2 3.71Å; Y348-F352 HydrophobicContact CE1-CD2 3.71Å; Y348-F352 HydrophobicContact CE1-CE2 4.47Å; Y348-F352 WeakPolarHBondContact O-CB 3.42Å; Y348-F352 PolarHBondContact O-N 2.9Å; Y348-I355 HydrophobicContact CE2-CD1 4.08Å |
| 349 | S | 84.9 | Confident | 86.9 | Confident | 75 Ų | 75 | 79.6 Ų | 79.6 | 52% | 0.524 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.8 | -30.2 | 178.5 | 71.8 | 0 | 0 | 0 | 0 | 113.8 | P345 S346 P353 | P345-S349 WeakPolarHBondContact O-CB 3.44Å; P345-S349 PolarHBondContact O-N 3.1Å; P345-S349 PolarHBondContact O-OG 3.12Å; S346-S349 PolarHBondContact O-N 3.49Å; S346-S349 VanDerWaalsContact O-N 3.16Å; S346-S349 PolarHBondContact O-OG 3.4Å; S349-P353 WeakPolarHBondContact O-CD 3.49Å |
| 350 | E | 86.8 | Confident | 86.9 | Confident | 138 Ų | 138 | 74.8 Ų | 74.8 | 65% | 0.645 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -70.9 | -35.3 | 176.2 | -68.5 | 175.7 | -178 | 0 | 0 | 112.2 | S346 K347 Y348 P353 | S346-E350 PolarHBondContact O-N 2.98Å; K347-E350 PolarHBondContact O-N 3.19Å; Y348-E350 VanDerWaalsContact C-N 3.27Å; Y348-E350 PolarHBondContact O-N 2.86Å; E350-P353 WeakPolarHBondContact O-CD 3.38Å |
| 351 | V | 86.9 | Confident | 86.9 | Confident | 15 Ų | 15 | 80.3 Ų | 80.3 | 9% | 0.091 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -92.7 | -21.4 | -177.6 | -179.8 | 0 | 0 | 0 | 0 | 112.8 | L316 T320 Y348 P353 H354 I355 | L316-V351 HydrophobicContact CD1-CG1 4.25Å; L316-V351 HydrophobicContact CD2-CG1 3.69Å; L316-V351 HydrophobicContact CG-CG1 3.8Å; T320-V351 HydrophobicContact CG2-CG2 3.48Å; T320-V351 VanDerWaalsContact CG2-CG2 3.48Å; Y348-V351 PolarHBondContact O-N 2.84Å; V351-P353 VanDerWaalsContact C-N 3.32Å; V351-P353 VanDerWaalsContact O-N 3.16Å; V351-H354 WeakPolarHBondContact O-CA 3.22Å; V351-H354 WeakPolarHBondContact O-CB 3.21Å; V351-H354 PolarHBondContact O-N 3.33Å; V351-I355 HydrophobicContact CG1-CD1 4.48Å; V351-I355 HydrophobicContact CG1-CG1 4.19Å; V351-I355 PolarHBondContact O-N 2.82Å |
| 352 | F | 83.7 | Confident | 86.8 | Confident | 128 Ų | 128 | 81.9 Ų | 81.9 | 56% | 0.561 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -47.5 | -43.3 | 179.7 | -175.9 | -101 | 0 | 0 | 0 | 114.7 | Y348 H354 I355 | Y348-F352 HydrophobicContact CE1-CB 4.47Å; Y348-F352 AromaticContact CE1-CD2 3.71Å; Y348-F352 HydrophobicContact CE1-CD2 3.71Å; Y348-F352 HydrophobicContact CE1-CE2 4.47Å; Y348-F352 WeakPolarHBondContact O-CB 3.42Å; Y348-F352 PolarHBondContact O-N 2.9Å; F352-H354 PolarHBondContact O-N 2.98Å; F352-I355 PolarHBondContact O-N 3.12Å; F352-I355 VanDerWaalsContact O-N 3.13Å |
| 353 | P | 84.4 | Confident | 86.7 | Confident | 99 Ų | 99 | 79.5 Ų | 79.5 | 64% | 0.643 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -62.9 | -24 | 177.3 | -21.5 | 34.1 | 0 | 0 | 0 | 114.2 | S349 E350 V351 | S349-P353 WeakPolarHBondContact O-CD 3.49Å; E350-P353 WeakPolarHBondContact O-CD 3.38Å; V351-P353 VanDerWaalsContact C-N 3.32Å; V351-P353 VanDerWaalsContact O-N 3.16Å |
| 354 | H | 83 | Confident | 86.6 | Confident | 137 Ų | 137 | 78.1 Ų | 78.1 | 63% | 0.634 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -91.7 | -10.5 | 179.9 | -60 | -69.8 | 0 | 0 | 0 | 112.8 | L316 V351 F352 K356 | L316-H354 HydrophobicContact CD2-CB 3.91Å; V351-H354 WeakPolarHBondContact O-CA 3.22Å; V351-H354 WeakPolarHBondContact O-CB 3.21Å; V351-H354 PolarHBondContact O-N 3.33Å; F352-H354 PolarHBondContact O-N 2.98Å; H354-K356 PolarHBondContact O-N 3.44Å |
| 355 | I | 83.8 | Confident | 86.3 | Confident | 27 Ų | 27 | 75.6 Ų | 75.6 | 14% | 0.138 | 40% | 0.404 | C | S | . | . | trans | -78.9 | 102.3 | 176.2 | -60.1 | 175.1 | 0 | 0 | 0 | 108.7 | V313 L317 Y348 V351 F352 | V313-I355 HydrophobicContact CG1-CG2 4.07Å; L317-I355 HydrophobicContact CD2-CD1 4.05Å; Y348-I355 HydrophobicContact CE2-CD1 4.08Å; V351-I355 HydrophobicContact CG1-CD1 4.48Å; V351-I355 HydrophobicContact CG1-CG1 4.19Å; V351-I355 PolarHBondContact O-N 2.82Å; F352-I355 PolarHBondContact O-N 3.12Å; F352-I355 VanDerWaalsContact O-N 3.13Å | ||
| 356 | K | 83.1 | Confident | 85.9 | Confident | 132 Ų | 132 | 75 Ų | 75 | 57% | 0.574 | 40% | 0.399 | S | S | * | . | trans | -70.2 | 134.9 | 173.4 | -167 | 172.6 | -179.5 | -175.6 | 0 | 110.3 | H354 C358 | H354-K356 PolarHBondContact O-N 3.44Å; K356-C358 PolarHBondContact O-N 3.1Å | ||
| 357 | N | 84.8 | Confident | 84.8 | Confident | 138 Ų | 138 | 73 Ų | 73 | 74% | 0.738 | 39% | 0.387 | S | S | * | . | trans | -73.2 | 109.6 | 170.8 | -170.2 | 16.5 | 0 | 0 | 0 | 109.2 | ||||
| 358 | C | 88.1 | Confident | 84 | Confident | 19 Ų | 19 | 70.8 Ų | 70.8 | 13% | 0.128 | 38% | 0.381 | C | S | . | . | trans | -95.1 | 111.4 | -179.6 | -51.4 | 0 | 0 | 0 | 0 | 108.8 | Y306 C309 L310 K356 | Y306-C358 HydrophobicContact CD2-CB 4.16Å; Y306-C358 HydrophobicContact CE2-CB 4.17Å; C309-C358 HydrophobicContact CB-CB 3.81Å; C309-C358 WeakPolarHBondContact CB-SG 3.49Å; C309-C358 WeakPolarHBondContact SG-CB 3.44Å; C309-C358 CovalentContact SG-SG 2.04Å; C309-C358 PolarHBondContact SG-SG 3.14Å; L310-C358 HydrophobicContact CD2-CB 3.86Å; L310-C358 HydrophobicContact CG-CB 4.31Å; K356-C358 PolarHBondContact O-N 3.1Å | ||
| 359 | S | 89.6 | Confident | 83 | Confident | 45 Ų | 45 | 74.5 Ų | 74.5 | 32% | 0.315 | 40% | 0.4 | S | S | . | . | trans | -128.5 | 126.6 | 174.7 | 172.6 | 0 | 0 | 0 | 0 | 110.2 | E361 S362 E363 | S359-E361 VanDerWaalsContact C-N 3.3Å; S359-E361 PolarHBondContact O-N 3.4Å; S359-E361 PolarHBondContact OG-N 2.96Å; S359-S362 PolarHBondContact O-N 3.06Å; S359-S362 PolarHBondContact OG-N 3.17Å; S359-E363 PolarHBondContact O-N 3.19Å | ||
| 360 | L | 88.7 | Confident | 82.5 | Confident | 41 Ų | 41 | 72 Ų | 72 | 22% | 0.215 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.2 | -38.3 | 176.4 | -179.6 | 63.6 | 0 | 0 | 0 | 111.6 | N222 A302 Y306 S362 E363 L364 | N222-L360 HydrophobicContact CB-CD2 4.41Å; A302-L360 HydrophobicContact CB-CD1 4.15Å; Y306-L360 HydrophobicContact CD1-CB 4.47Å; Y306-L360 HydrophobicContact CD2-CB 4.18Å; Y306-L360 HydrophobicContact CE2-CB 4.47Å; Y306-L360 HydrophobicContact CG-CB 4.17Å; Y306-L360 HydrophobicContact CG-CD1 4.4Å; L360-S362 VanDerWaalsContact C-N 3.33Å; L360-S362 PolarHBondContact O-N 3.27Å; L360-E363 PolarHBondContact O-N 2.97Å; L360-L364 HydrophobicContact CD1-CD1 4.44Å; L360-L364 HydrophobicContact CG-CD1 4.04Å; L360-L364 WeakPolarHBondContact O-CG 3.32Å; L360-L364 PolarHBondContact O-N 3.3Å |
| 361 | E | 87.7 | Confident | 82.3 | Confident | 119 Ų | 119 | 66 Ų | 66 | 56% | 0.556 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64 | -40.6 | 177.9 | -173.4 | 169.3 | -163.7 | 0 | 0 | 111 | S359 E363 L364 D365 | S359-E361 VanDerWaalsContact C-N 3.3Å; S359-E361 PolarHBondContact O-N 3.4Å; S359-E361 PolarHBondContact OG-N 2.96Å; E361-E363 VanDerWaalsContact C-N 3.33Å; E361-E363 PolarHBondContact O-N 3.49Å; E361-L364 CarbonylContact O-C 3.28Å; E361-L364 PolarHBondContact O-N 2.84Å; E361-L364 VanDerWaalsContact O-N 3.14Å; E361-D365 WeakPolarHBondContact O-CB 3.28Å; E361-D365 PolarHBondContact O-N 3.18Å |
| 362 | S | 87.2 | Confident | 82.1 | Confident | 68 Ų | 68 | 65.4 Ų | 65.4 | 48% | 0.476 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 175.3 | -174.3 | 0 | 0 | 0 | 0 | 112.5 | S359 L360 L364 D365 T366 | S359-S362 PolarHBondContact O-N 3.06Å; S359-S362 PolarHBondContact OG-N 3.17Å; L360-S362 VanDerWaalsContact C-N 3.33Å; L360-S362 PolarHBondContact O-N 3.27Å; S362-L364 VanDerWaalsContact C-N 3.34Å; S362-D365 PolarHBondContact O-N 2.64Å; S362-T366 PolarHBondContact O-N 3.28Å; S362-T366 PolarHBondContact O-OG1 3.33Å |
| 363 | E | 88.3 | Confident | 82.2 | Confident | 40 Ų | 40 | 59.6 Ų | 59.6 | 19% | 0.187 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68 | -35.2 | 175.7 | -67.5 | -69.8 | 151.5 | 0 | 0 | 111.3 | Y298 A302 S359 L360 E361 | Y298-E363 PolarHBondContact OH-O 2.76Å; Y298-E363 VanDerWaalsContact OH-O 3.04Å; A302-E363 HydrophobicContact CB-CB 3.96Å; S359-E363 PolarHBondContact O-N 3.19Å; L360-E363 PolarHBondContact O-N 2.97Å; E361-E363 VanDerWaalsContact C-N 3.33Å; E361-E363 PolarHBondContact O-N 3.49Å |
| 364 | L | 86.6 | Confident | 82.3 | Confident | 12 Ų | 12 | 54.9 Ų | 54.9 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -75.9 | -26.7 | 176 | -73.4 | 169 | 0 | 0 | 0 | 113.7 | Q36 Y226 Y298 A302 L360 E361 S362 T366 | Q36-L364 PolarHBondContact NE2-O 3.35Å; Y226-L364 HydrophobicContact CD2-CB 3.99Å; Y226-L364 HydrophobicContact CD2-CD1 4.4Å; Y226-L364 HydrophobicContact CE2-CB 4.28Å; Y226-L364 HydrophobicContact CG-CB 4.41Å; Y298-L364 HydrophobicContact CD1-CD2 4.04Å; Y298-L364 HydrophobicContact CE1-CD2 4.08Å; Y298-L364 WeakPolarHBondContact CE1-O 3.41Å; Y298-L364 PolarHBondContact OH-O 3.04Å; A302-L364 HydrophobicContact CB-CD2 3.67Å; A302-L364 HydrophobicContact CB-CG 3.9Å; L360-L364 HydrophobicContact CD1-CD1 4.44Å; L360-L364 HydrophobicContact CG-CD1 4.04Å; L360-L364 WeakPolarHBondContact O-CG 3.32Å; L360-L364 PolarHBondContact O-N 3.3Å; E361-L364 CarbonylContact O-C 3.28Å; E361-L364 PolarHBondContact O-N 2.84Å; E361-L364 VanDerWaalsContact O-N 3.14Å; S362-L364 VanDerWaalsContact C-N 3.34Å; L364-T366 VanDerWaalsContact C-N 3.27Å |
| 365 | D | 84 | Confident | 82.8 | Confident | 69 Ų | 69 | 48.3 Ų | 48.3 | 37% | 0.369 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -81.4 | -8.2 | 175.8 | -78 | -25.7 | 0 | 0 | 0 | 112.1 | Y226 K231 E361 S362 A367 | Y226-D365 VanDerWaalsContact CE2-OD1 3.31Å; Y226-D365 WeakPolarHBondContact CE2-OD1 3.48Å; Y226-D365 PolarHBondContact OH-OD1 2.88Å; K231-D365 IonicContact NZ-OD1 2.74Å; K231-D365 PolarHBondContact NZ-OD1 3.38Å; E361-D365 WeakPolarHBondContact O-CB 3.28Å; E361-D365 PolarHBondContact O-N 3.18Å; S362-D365 PolarHBondContact O-N 2.64Å; D365-A367 VanDerWaalsContact C-N 3.28Å; D365-A367 PolarHBondContact O-N 3.43Å |
| 366 | T | 81.4 | Confident | 83.1 | Confident | 71 Ų | 71 | 47.4 Ų | 47.4 | 44% | 0.436 | 26% | 0.264 | S | S | . | . | trans | -75.1 | 76.7 | -178.4 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | Y298 S362 L364 | Y298-T366 VanDerWaalsContact OH-C 3.23Å; Y298-T366 PolarHBondContact OH-O 3.17Å; S362-T366 PolarHBondContact O-N 3.28Å; S362-T366 PolarHBondContact O-OG1 3.33Å; L364-T366 VanDerWaalsContact C-N 3.27Å | ||
| 367 | A | 64.9 | Low | 83.5 | Confident | 42 Ų | 42 | 41.4 Ų | 41.4 | 35% | 0.347 | 24% | 0.239 | S | C | . | . | trans | -72.8 | 128.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y33 Q36 D365 | Y33-A367 HydrophobicContact CD2-CB 4.15Å; Y33-A367 HydrophobicContact CE2-CB 3.93Å; Q36-A367 HydrophobicContact CG-CB 4.18Å; D365-A367 VanDerWaalsContact C-N 3.28Å; D365-A367 PolarHBondContact O-N 3.43Å | ||
| 368 | V | 69.3 | Low | 83.8 | Confident | 41 Ų | 41 | 35.1 Ų | 35.1 | 25% | 0.248 | 21% | 0.205 | C | C | . | . | trans | -110.3 | 121.8 | 174.6 | -173 | 0 | 0 | 0 | 0 | 108.8 | Y33 G372 V377 | Y33-V368 VanDerWaalsContact CD2-O 3.28Å; Y33-V368 WeakPolarHBondContact CD2-O 3.48Å; V368-G372 VanDerWaalsContact CG1-CA 3.49Å; V368-V377 HydrophobicContact CB-CG2 3.78Å; V368-V377 HydrophobicContact CG1-CG2 4.28Å; V368-V377 HydrophobicContact CG2-CG2 3.55Å | ||
| 369 | Q | 66.9 | Low | 84 | Confident | 109 Ų | 109 | 34.2 Ų | 34.2 | 51% | 0.509 | 20% | 0.199 | S | C | . | . | trans | -83.4 | 147.9 | -177.4 | -171.2 | 173.1 | -12.9 | 0 | 0 | 111.9 | Y33 T371 G372 | Y33-Q369 HydrophobicContact CD1-CG 4.16Å; Y33-Q369 HydrophobicContact CD2-CB 4.16Å; Y33-Q369 HydrophobicContact CE1-CB 4.08Å; Y33-Q369 HydrophobicContact CE1-CG 3.63Å; Y33-Q369 HydrophobicContact CE2-CB 3.6Å; Y33-Q369 HydrophobicContact CE2-CG 4.13Å; Y33-Q369 PolarHBondContact OH-OE1 2.88Å; Y33-Q369 VanDerWaalsContact OH-OE1 3.14Å; Q369-T371 PolarHBondContact O-N 3.12Å; Q369-G372 PolarHBondContact O-N 3.31Å | ||
| 370 | G | 73.3 | Confident | 84.2 | Confident | 21 Ų | 21 | 33.3 Ų | 33.3 | 22% | 0.216 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | -128.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G372 L373 | G370-G372 PolarHBondContact O-N 2.91Å; G370-L373 PolarHBondContact O-N 3.47Å |
| 371 | T | 83 | Confident | 84.3 | Confident | 13 Ų | 13 | 31.4 Ų | 31.4 | 8% | 0.08 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.7 | -29.9 | -177.6 | 51.4 | 0 | 0 | 0 | 0 | 112.7 | W108 W149 Q369 L373 A374 F375 F457 | W108-T371 HydrophobicContact CE3-CG2 4.16Å; W108-T371 HydrophobicContact CH2-CG2 4.27Å; W108-T371 HydrophobicContact CZ3-CG2 3.48Å; W108-T371 VanDerWaalsContact CZ3-CG2 3.48Å; W149-T371 HydrophobicContact CZ2-CG2 4.31Å; Q369-T371 PolarHBondContact O-N 3.12Å; T371-L373 PolarHBondContact O-N 3.3Å; T371-A374 PolarHBondContact O-N 3.28Å; T371-A374 VanDerWaalsContact O-N 3.17Å; T371-F375 WeakPolarHBondContact O-CD2 3.4Å; T371-F375 PolarHBondContact O-N 3.11Å; T371-F457 HydrophobicContact CG2-CD1 4.49Å; T371-F457 HydrophobicContact CG2-CE1 3.73Å; T371-F457 HydrophobicContact CG2-CZ 4.04Å |
| 372 | G | 83.5 | Confident | 84.6 | Confident | 3 Ų | 3 | 25.7 Ų | 25.7 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.1 | -35.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V368 Q369 G370 A374 I376 V377 | V368-G372 VanDerWaalsContact CG1-CA 3.49Å; Q369-G372 PolarHBondContact O-N 3.31Å; G370-G372 PolarHBondContact O-N 2.91Å; G372-A374 VanDerWaalsContact C-N 3.3Å; G372-A374 PolarHBondContact O-N 3.25Å; G372-I376 WeakPolarHBondContact O-CA 3.36Å; G372-I376 WeakPolarHBondContact O-CB 3.44Å; G372-I376 PolarHBondContact O-N 3.46Å; G372-V377 PolarHBondContact O-N 2.91Å |
| 373 | L | 84.1 | Confident | 84.9 | Confident | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -62.3 | -44.9 | 174.5 | -174.5 | 62.5 | 0 | 0 | 0 | 110 | W29 T294 G370 T371 V377 Y378 | W29-L373 HydrophobicContact CB-CB 4.3Å; W29-L373 HydrophobicContact CB-CD2 3.88Å; W29-L373 HydrophobicContact CB-CG 4.34Å; W29-L373 WeakPolarHBondContact O-CD2 3.49Å; T294-L373 HydrophobicContact CG2-CD2 4.46Å; G370-L373 PolarHBondContact O-N 3.47Å; T371-L373 PolarHBondContact O-N 3.3Å; L373-V377 HydrophobicContact CD1-CB 3.91Å; L373-V377 HydrophobicContact CD1-CG1 3.89Å; L373-V377 HydrophobicContact CD1-CG2 4.14Å; L373-V377 WeakPolarHBondContact O-CB 3.46Å; L373-V377 PolarHBondContact O-N 3.4Å; L373-Y378 WeakPolarHBondContact O-CD2 3.38Å; L373-Y378 PolarHBondContact O-N 3.38Å; L373-Y378 VanDerWaalsContact O-N 3.16Å |
| 374 | A | 87.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -73.8 | -42.2 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | W29 T371 G372 Y395 L399 | W29-A374 HydrophobicContact CD2-CB 4.24Å; W29-A374 HydrophobicContact CE3-CB 3.32Å; W29-A374 HydrophobicContact CZ3-CB 3.69Å; T371-A374 PolarHBondContact O-N 3.28Å; T371-A374 VanDerWaalsContact O-N 3.17Å; G372-A374 VanDerWaalsContact C-N 3.3Å; G372-A374 PolarHBondContact O-N 3.25Å; A374-Y395 WeakPolarHBondContact CA-OH 3.38Å; A374-Y395 VanDerWaalsContact O-CE1 3.29Å; A374-Y395 WeakPolarHBondContact O-CE1 3.37Å; A374-Y395 PolarHBondContact O-OH 3.41Å; A374-L399 HydrophobicContact CB-CD1 4.47Å |
| 375 | F | 92.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -105.3 | -15.7 | -170.6 | -65.7 | -75.6 | 0 | 0 | 0 | 113.8 | I105 W108 Y112 W149 T371 T379 F396 L399 | I105-F375 HydrophobicContact CG2-CE2 3.85Å; I105-F375 HydrophobicContact CG2-CZ 3.94Å; W108-F375 HydrophobicContact CB-CE1 3.8Å; W108-F375 HydrophobicContact CB-CE2 4.13Å; W108-F375 HydrophobicContact CB-CZ 3.52Å; W108-F375 HydrophobicContact CE3-CE2 4.1Å; Y112-F375 HydrophobicContact CD1-CD1 4.48Å; Y112-F375 AromaticContact CD2-CD1 3.47Å; Y112-F375 HydrophobicContact CD2-CD1 3.47Å; Y112-F375 VanDerWaalsContact CD2-CD1 3.47Å; Y112-F375 AromaticContact CD2-CE1 3.79Å; Y112-F375 HydrophobicContact CD2-CE1 3.79Å; Y112-F375 HydrophobicContact CE1-CD1 4.48Å; Y112-F375 HydrophobicContact CE2-CB 4.24Å; Y112-F375 AromaticContact CE2-CD1 3.47Å; Y112-F375 HydrophobicContact CE2-CD1 3.47Å; Y112-F375 VanDerWaalsContact CE2-CD1 3.47Å; Y112-F375 HydrophobicContact CE2-CE1 4.18Å; Y112-F375 HydrophobicContact CE2-CG 4.17Å; Y112-F375 AromaticContact CG-CD1 4Å; Y112-F375 HydrophobicContact CG-CD1 4Å; Y112-F375 HydrophobicContact CG-CE1 4.34Å; Y112-F375 AromaticContact CZ-CD1 4Å; W149-F375 HydrophobicContact CD2-CB 4.13Å; W149-F375 HydrophobicContact CE3-CB 3.56Å; W149-F375 HydrophobicContact CE3-CD1 4.49Å; W149-F375 HydrophobicContact CE3-CD2 4.41Å; W149-F375 AromaticContact CE3-CG 3.93Å; W149-F375 HydrophobicContact CE3-CG 3.93Å; W149-F375 HydrophobicContact CH2-CB 4.25Å; W149-F375 AromaticContact CH2-CD2 3.6Å; W149-F375 HydrophobicContact CH2-CD2 3.6Å; W149-F375 HydrophobicContact CH2-CE2 4.12Å; W149-F375 AromaticContact CH2-CG 3.95Å; W149-F375 HydrophobicContact CH2-CG 3.95Å; W149-F375 HydrophobicContact CZ2-CD2 4.42Å; W149-F375 HydrophobicContact CZ3-CB 3.62Å; W149-F375 AromaticContact CZ3-CD1 3.94Å; W149-F375 HydrophobicContact CZ3-CD1 3.94Å; W149-F375 AromaticContact CZ3-CD2 3.6Å; W149-F375 HydrophobicContact CZ3-CD2 3.6Å; W149-F375 HydrophobicContact CZ3-CE2 4.24Å; W149-F375 AromaticContact CZ3-CG 3.44Å; W149-F375 HydrophobicContact CZ3-CG 3.44Å; W149-F375 VanDerWaalsContact CZ3-CG 3.44Å; T371-F375 WeakPolarHBondContact O-CD2 3.4Å; T371-F375 PolarHBondContact O-N 3.11Å; F375-T379 WeakPolarHBondContact O-CG2 3.18Å; F375-T379 PolarHBondContact O-OG1 3.48Å; F375-F396 AromaticContact CD1-CE1 3.62Å; F375-F396 HydrophobicContact CD1-CE1 3.62Å; F375-F396 HydrophobicContact CD1-CZ 4.26Å; F375-F396 HydrophobicContact CE1-CD1 4.25Å; F375-F396 AromaticContact CE1-CE1 3.65Å; F375-F396 HydrophobicContact CE1-CE1 3.65Å; F375-L399 HydrophobicContact CE1-CD2 4.11Å; F375-L399 HydrophobicContact CZ-CD2 3.76Å |
| 376 | I | 91.8 | Very high | 85.6 | Confident | 7 Ų | 7 | 29.1 Ų | 29.1 | 4% | 0.036 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -111.7 | -56 | 179.7 | -52.9 | 171.5 | 0 | 0 | 0 | 110.5 | Q146 W149 Y150 G372 T379 E380 | Q146-I376 HydrophobicContact CG-CD1 4.31Å; Q146-I376 HydrophobicContact CG-CG2 3.59Å; W149-I376 HydrophobicContact CB-CD1 4.34Å; W149-I376 HydrophobicContact CB-CG1 4.01Å; W149-I376 HydrophobicContact CG-CD1 4.12Å; W149-I376 HydrophobicContact CG-CG1 4.04Å; Y150-I376 HydrophobicContact CE2-CD1 4.02Å; G372-I376 WeakPolarHBondContact O-CA 3.36Å; G372-I376 WeakPolarHBondContact O-CB 3.44Å; G372-I376 PolarHBondContact O-N 3.46Å; I376-T379 WeakPolarHBondContact CA-OG1 3.31Å; I376-T379 PolarHBondContact O-OG1 3.17Å; I376-E380 WeakPolarHBondContact O-CB 3.4Å; I376-E380 PolarHBondContact O-N 3.42Å |
| 377 | V | 90.1 | Very high | 86.2 | Confident | 7 Ų | 7 | 30.3 Ų | 30.3 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -69.1 | -47.2 | -173.5 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | Y298 K301 V368 G372 L373 E380 A381 | Y298-V377 HydrophobicContact CD2-CG1 3.74Å; Y298-V377 HydrophobicContact CE2-CG1 4.05Å; K301-V377 HydrophobicContact CD-CG1 3.72Å; V368-V377 HydrophobicContact CB-CG2 3.78Å; V368-V377 HydrophobicContact CG1-CG2 4.28Å; V368-V377 HydrophobicContact CG2-CG2 3.55Å; G372-V377 PolarHBondContact O-N 2.91Å; L373-V377 HydrophobicContact CD1-CB 3.91Å; L373-V377 HydrophobicContact CD1-CG1 3.89Å; L373-V377 HydrophobicContact CD1-CG2 4.14Å; L373-V377 WeakPolarHBondContact O-CB 3.46Å; L373-V377 PolarHBondContact O-N 3.4Å; V377-E380 PolarHBondContact O-N 3.47Å; V377-A381 PolarHBondContact O-N 3.46Å |
| 378 | Y | 90.8 | Very high | 87.6 | Confident | 6 Ų | 6 | 29.1 Ų | 29.1 | 2% | 0.024 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 177.5 | -95 | -82.3 | 0 | 0 | 0 | 112.4 | T294 I297 L373 E380 A381 I382 Y395 | T294-Y378 WeakPolarHBondContact CA-OH 3.43Å; T294-Y378 WeakPolarHBondContact CB-OH 3.28Å; T294-Y378 HydrophobicContact CG2-CE2 4.03Å; T294-Y378 PolarHBondContact OG1-OH 3.24Å; I297-Y378 HydrophobicContact CD1-CD1 4.32Å; I297-Y378 HydrophobicContact CD1-CE1 3.61Å; L373-Y378 WeakPolarHBondContact O-CD2 3.38Å; L373-Y378 PolarHBondContact O-N 3.38Å; L373-Y378 VanDerWaalsContact O-N 3.16Å; Y378-E380 VanDerWaalsContact C-N 3.33Å; Y378-E380 PolarHBondContact O-N 2.85Å; Y378-A381 PolarHBondContact O-N 3.16Å; Y378-I382 WeakPolarHBondContact O-CB 3.4Å; Y378-I382 WeakPolarHBondContact O-CD1 3.31Å; Y378-I382 WeakPolarHBondContact O-CG1 3.17Å; Y378-I382 PolarHBondContact O-N 3.44Å; Y378-Y395 AromaticContact CD1-CD2 3.89Å; Y378-Y395 HydrophobicContact CD1-CD2 3.89Å; Y378-Y395 AromaticContact CD1-CE2 3.47Å; Y378-Y395 HydrophobicContact CD1-CE2 3.47Å; Y378-Y395 VanDerWaalsContact CD1-CE2 3.47Å; Y378-Y395 AromaticContact CD1-CZ 3.9Å; Y378-Y395 AromaticContact CD2-CE2 3.92Å; Y378-Y395 HydrophobicContact CD2-CE2 3.92Å; Y378-Y395 AromaticContact CD2-CZ 3.8Å; Y378-Y395 VanDerWaalsContact CD2-OH 3.27Å; Y378-Y395 WeakPolarHBondContact CD2-OH 3.46Å; Y378-Y395 HydrophobicContact CE1-CD2 4.15Å; Y378-Y395 AromaticContact CE1-CE2 3.71Å; Y378-Y395 HydrophobicContact CE1-CE2 3.71Å; Y378-Y395 HydrophobicContact CE2-CE2 4.16Å; Y378-Y395 HydrophobicContact CG-CD2 4.35Å; Y378-Y395 HydrophobicContact CG-CE1 4.26Å; Y378-Y395 AromaticContact CG-CE2 3.56Å; Y378-Y395 HydrophobicContact CG-CE2 3.56Å; Y378-Y395 AromaticContact CG-CZ 3.5Å |
| 379 | T | 94 | Very high | 88.9 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.2 | -34.6 | 179 | 57.1 | 0 | 0 | 0 | 0 | 112 | Y112 W123 F375 I376 I382 K383 F396 | Y112-T379 HydrophobicContact CD1-CG2 4.1Å; Y112-T379 HydrophobicContact CE1-CG2 3.85Å; W123-T379 HydrophobicContact CZ2-CG2 4.48Å; F375-T379 WeakPolarHBondContact O-CG2 3.18Å; F375-T379 PolarHBondContact O-OG1 3.48Å; I376-T379 WeakPolarHBondContact CA-OG1 3.31Å; I376-T379 PolarHBondContact O-OG1 3.17Å; T379-I382 PolarHBondContact O-N 3.39Å; T379-K383 PolarHBondContact O-N 3.12Å; T379-F396 HydrophobicContact CG2-CE2 3.95Å; T379-F396 HydrophobicContact CG2-CZ 3.52Å |
| 380 | E | 92.3 | Very high | 90.3 | Very high | 25 Ų | 25 | 28.3 Ų | 28.3 | 12% | 0.117 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.3 | -39.1 | 174.1 | -169.1 | -177.2 | 155.4 | 0 | 0 | 111.7 | T145 K301 N305 I376 V377 Y378 K383 N384 | T145-E380 HydrophobicContact CG2-CB 4.01Å; K301-E380 WeakPolarHBondContact CE-OE1 3.44Å; K301-E380 WeakPolarHBondContact CE-OE2 3.26Å; K301-E380 IonicContact NZ-OE1 2.73Å; K301-E380 PolarHBondContact NZ-OE1 3.21Å; K301-E380 IonicContact NZ-OE2 3.12Å; K301-E380 PolarHBondContact NZ-OE2 3.15Å; N305-E380 PolarHBondContact ND2-OE1 2.85Å; N305-E380 VanDerWaalsContact ND2-OE1 3.16Å; I376-E380 WeakPolarHBondContact O-CB 3.4Å; I376-E380 PolarHBondContact O-N 3.42Å; V377-E380 PolarHBondContact O-N 3.47Å; Y378-E380 VanDerWaalsContact C-N 3.33Å; Y378-E380 PolarHBondContact O-N 2.85Å; E380-K383 VanDerWaalsContact O-CG 3.22Å; E380-K383 WeakPolarHBondContact O-CG 3.28Å; E380-N384 PolarHBondContact O-ND2 2.82Å |
| 381 | A | 92.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.9 | -46.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I297 K301 V377 Y378 K383 N384 M385 | I297-A381 HydrophobicContact CG2-CB 3.36Å; K301-A381 HydrophobicContact CB-CB 4.39Å; V377-A381 PolarHBondContact O-N 3.46Å; Y378-A381 PolarHBondContact O-N 3.16Å; A381-K383 PolarHBondContact O-N 3.41Å; A381-N384 PolarHBondContact O-N 3.17Å; A381-N384 VanDerWaalsContact O-N 3.14Å; A381-M385 HydrophobicContact CB-CE 4.17Å; A381-M385 WeakPolarHBondContact O-CG 3.19Å |
| 382 | I | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.1 | -41 | -177.1 | -74.5 | 165.9 | 0 | 0 | 0 | 112 | L121 Y378 T379 N384 M385 S388 W391 Y395 | L121-I382 HydrophobicContact CD1-CG2 4.36Å; Y378-I382 WeakPolarHBondContact O-CB 3.4Å; Y378-I382 WeakPolarHBondContact O-CD1 3.31Å; Y378-I382 WeakPolarHBondContact O-CG1 3.17Å; Y378-I382 PolarHBondContact O-N 3.44Å; T379-I382 PolarHBondContact O-N 3.39Å; I382-N384 PolarHBondContact O-N 3.5Å; I382-N384 VanDerWaalsContact O-N 3.14Å; I382-M385 WeakPolarHBondContact O-CB 3.22Å; I382-M385 PolarHBondContact O-N 3.43Å; I382-S388 VanDerWaalsContact CG2-O 3.29Å; I382-S388 WeakPolarHBondContact CG2-O 3.2Å; I382-S388 VanDerWaalsContact O-CB 3.26Å; I382-S388 WeakPolarHBondContact O-CB 3.37Å; I382-W391 HydrophobicContact CG1-CB 4.33Å; I382-W391 HydrophobicContact CG2-CB 3.99Å; I382-Y395 HydrophobicContact CD1-CD1 4.15Å; I382-Y395 HydrophobicContact CD1-CG 4.04Å |
| 383 | K | 93.1 | Very high | 92.7 | Very high | 53 Ų | 53 | 29.8 Ų | 29.8 | 23% | 0.23 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21.7 | 179.5 | 68.9 | 165.1 | -172.9 | 170.9 | 0 | 113.5 | S144 T145 T379 E380 A381 | S144-K383 PolarHBondContact OG-NZ 3.45Å; T145-K383 HydrophobicContact CG2-CD 4.22Å; T379-K383 PolarHBondContact O-N 3.12Å; E380-K383 VanDerWaalsContact O-CG 3.22Å; E380-K383 WeakPolarHBondContact O-CG 3.28Å; A381-K383 PolarHBondContact O-N 3.41Å |
| 384 | N | 91.6 | Very high | 93.3 | Very high | 53 Ų | 53 | 31.4 Ų | 31.4 | 28% | 0.283 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -1.2 | 178.7 | -62.1 | -33.1 | 0 | 0 | 0 | 112.6 | F300 F304 E380 A381 I382 | F300-N384 HydrophobicContact CE1-CB 4.07Å; F300-N384 HydrophobicContact CZ-CB 4.05Å; F304-N384 HydrophobicContact CE1-CB 4.35Å; F304-N384 WeakPolarHBondContact CE1-ND2 3.39Å; F304-N384 HydrophobicContact CZ-CB 4.44Å; E380-N384 PolarHBondContact O-ND2 2.82Å; A381-N384 PolarHBondContact O-N 3.17Å; A381-N384 VanDerWaalsContact O-N 3.14Å; I382-N384 PolarHBondContact O-N 3.5Å; I382-N384 VanDerWaalsContact O-N 3.14Å |
| 385 | M | 91.8 | Very high | 93.7 | Very high | 9 Ų | 9 | 31.4 Ų | 31.4 | 4% | 0.044 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -89.2 | 144.7 | 175 | -59.5 | -177 | -166.5 | 0 | 0 | 110.8 | R213 L217 I297 F300 A381 I382 V387 S388 W391 | R213-M385 HydrophobicContact CG-SD 4.49Å; L217-M385 HydrophobicContact CD1-CE 3.59Å; L217-M385 HydrophobicContact CD1-CG 4.41Å; L217-M385 HydrophobicContact CD1-SD 4.1Å; L217-M385 HydrophobicContact CD2-CG 4.49Å; I297-M385 HydrophobicContact CG1-CE 4.35Å; I297-M385 HydrophobicContact CG2-CE 3.87Å; F300-M385 HydrophobicContact CE1-CG 4.37Å; A381-M385 HydrophobicContact CB-CE 4.17Å; A381-M385 WeakPolarHBondContact O-CG 3.19Å; I382-M385 WeakPolarHBondContact O-CB 3.22Å; I382-M385 PolarHBondContact O-N 3.43Å; M385-V387 PolarHBondContact O-N 3Å; M385-S388 PolarHBondContact O-N 3.36Å; M385-W391 HydrophobicContact SD-CG 4.29Å |
| 386 | E | 90.5 | Very high | 93.9 | Very high | 146 Ų | 146 | 31.4 Ų | 31.4 | 68% | 0.682 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 136.5 | 168.4 | -63.3 | 175.3 | 162.9 | 0 | 0 | 110.9 | R213 W391 | R213-E386 IonicContact NH2-OE2 3.7Å; E386-W391 VanDerWaalsContact O-CD1 3.29Å; E386-W391 PolarHBondContact O-NE1 3.24Å |
| 387 | V | 93.3 | Very high | 94.2 | Very high | 96 Ų | 96 | 34.3 Ų | 34.3 | 58% | 0.582 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 48.8 | -176.5 | -160.3 | 0 | 0 | 0 | 0 | 111.9 | M385 Q389 L390 | M385-V387 PolarHBondContact O-N 3Å; V387-Q389 PolarHBondContact O-N 3.19Å; V387-Q389 VanDerWaalsContact O-N 3.07Å; V387-L390 HydrophobicContact CG1-CB 3.88Å; V387-L390 PolarHBondContact O-N 2.73Å; V387-L390 VanDerWaalsContact O-N 3.11Å |
| 388 | S | 94.8 | Very high | 94.5 | Very high | 17 Ų | 17 | 34.1 Ų | 34.1 | 12% | 0.119 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -51.6 | -32.7 | -174.1 | 68.1 | 0 | 0 | 0 | 0 | 114.9 | L121 I382 M385 W391 S392 | L121-S388 VanDerWaalsContact CD1-OG 3.29Å; L121-S388 WeakPolarHBondContact CD1-OG 3.44Å; I382-S388 VanDerWaalsContact CG2-O 3.29Å; I382-S388 WeakPolarHBondContact CG2-O 3.2Å; I382-S388 VanDerWaalsContact O-CB 3.26Å; I382-S388 WeakPolarHBondContact O-CB 3.37Å; M385-S388 PolarHBondContact O-N 3.36Å; S388-W391 PolarHBondContact O-N 2.97Å; S388-S392 WeakPolarHBondContact O-CB 3.39Å; S388-S392 PolarHBondContact O-N 2.88Å |
| 389 | Q | 95.7 | Very high | 94.7 | Very high | 38 Ų | 38 | 33.9 Ų | 33.9 | 18% | 0.178 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 179.2 | -65.8 | 78.2 | 6.8 | 0 | 0 | 112.4 | Q118 D119 L121 V387 W391 S392 V393 | Q118-Q389 VanDerWaalsContact O-CG 3.24Å; Q118-Q389 WeakPolarHBondContact O-CG 3.22Å; Q118-Q389 PolarHBondContact O-NE2 3.33Å; D119-Q389 VanDerWaalsContact CB-NE2 3.33Å; D119-Q389 PolarHBondContact OD1-NE2 3.21Å; L121-Q389 HydrophobicContact CD2-CG 4.09Å; L121-Q389 HydrophobicContact CG-CG 4.36Å; V387-Q389 PolarHBondContact O-N 3.19Å; V387-Q389 VanDerWaalsContact O-N 3.07Å; Q389-W391 PolarHBondContact O-N 2.96Å; Q389-S392 PolarHBondContact O-N 3.41Å; Q389-V393 WeakPolarHBondContact O-CG2 3.36Å; Q389-V393 PolarHBondContact O-N 3.38Å |
| 390 | L | 95.9 | Very high | 94.8 | Very high | 94 Ų | 94 | 34.1 Ų | 34.1 | 49% | 0.492 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.6 | -47.1 | -179.3 | 175.5 | 63.3 | 0 | 0 | 0 | 110.5 | V387 V393 L394 | V387-L390 HydrophobicContact CG1-CB 3.88Å; V387-L390 PolarHBondContact O-N 2.73Å; V387-L390 VanDerWaalsContact O-N 3.11Å; L390-V393 PolarHBondContact O-N 2.92Å; L390-L394 HydrophobicContact CD1-CD1 4.23Å; L390-L394 HydrophobicContact CD1-CG 4.39Å; L390-L394 HydrophobicContact CG-CD1 4.2Å; L390-L394 WeakPolarHBondContact O-CG 3.48Å; L390-L394 PolarHBondContact O-N 3.39Å |
| 391 | W | 96.4 | Very high | 94.9 | Very high | 33 Ų | 33 | 33.5 Ų | 33.5 | 13% | 0.125 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 177.5 | -59.1 | 112.2 | 0 | 0 | 0 | 110.5 | I209 Y210 R213 I382 M385 E386 S388 Q389 V393 L394 Y395 | I209-W391 HydrophobicContact CG2-CH2 4.41Å; I209-W391 HydrophobicContact CG2-CZ3 3.83Å; Y210-W391 HydrophobicContact CE1-CE3 4.12Å; Y210-W391 HydrophobicContact CE2-CE3 4.42Å; Y210-W391 WeakPolarHBondContact OH-CA 3.48Å; Y210-W391 WeakPolarHBondContact OH-CB 3.38Å; Y210-W391 PolarHBondContact OH-O 3.45Å; R213-W391 HydrophobicContact CB-CE3 4.45Å; R213-W391 HydrophobicContact CB-CH2 3.47Å; R213-W391 VanDerWaalsContact CB-CH2 3.47Å; R213-W391 HydrophobicContact CB-CZ2 4.15Å; R213-W391 HydrophobicContact CB-CZ3 3.61Å; R213-W391 HydrophobicContact CG-CD2 4.4Å; R213-W391 HydrophobicContact CG-CE3 4.23Å; R213-W391 HydrophobicContact CG-CH2 3.46Å; R213-W391 VanDerWaalsContact CG-CH2 3.46Å; R213-W391 HydrophobicContact CG-CZ2 3.61Å; R213-W391 HydrophobicContact CG-CZ3 3.76Å; I382-W391 HydrophobicContact CG1-CB 4.33Å; I382-W391 HydrophobicContact CG2-CB 3.99Å; M385-W391 HydrophobicContact SD-CG 4.29Å; E386-W391 VanDerWaalsContact O-CD1 3.29Å; E386-W391 PolarHBondContact O-NE1 3.24Å; S388-W391 PolarHBondContact O-N 2.97Å; Q389-W391 PolarHBondContact O-N 2.96Å; W391-V393 PolarHBondContact O-N 3.3Å; W391-L394 PolarHBondContact O-N 3.24Å; W391-Y395 WeakPolarHBondContact O-CB 3.46Å; W391-Y395 PolarHBondContact O-N 3.48Å |
| 392 | S | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.1 | -49.5 | 177.6 | -167.5 | 0 | 0 | 0 | 0 | 112.7 | S116 W123 S388 Q389 L394 Y395 F396 | S116-S392 WeakPolarHBondContact CB-OG 3.45Å; S116-S392 PolarHBondContact OG-OG 2.86Å; W123-S392 VanDerWaalsContact CZ2-OG 3.24Å; W123-S392 WeakPolarHBondContact CZ2-OG 3.29Å; S388-S392 WeakPolarHBondContact O-CB 3.39Å; S388-S392 PolarHBondContact O-N 2.88Å; Q389-S392 PolarHBondContact O-N 3.41Å; S392-L394 PolarHBondContact O-N 2.97Å; S392-Y395 PolarHBondContact O-N 2.81Å; S392-F396 VanDerWaalsContact O-CD2 3.28Å; S392-F396 WeakPolarHBondContact O-CD2 3.29Å; S392-F396 PolarHBondContact O-N 3.02Å; S392-F396 WeakPolarHBondContact OG-CD2 3.35Å |
| 393 | V | 97.6 | Very high | 95.1 | Very high | 35 Ų | 35 | 33.8 Ų | 33.8 | 21% | 0.212 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.2 | -48.1 | 178 | 171.9 | 0 | 0 | 0 | 0 | 111 | L113 F117 Q389 L390 W391 Y395 F397 | L113-V393 HydrophobicContact CD1-CG1 4.15Å; F117-V393 HydrophobicContact CD1-CG2 4.14Å; F117-V393 HydrophobicContact CE1-CG1 4.27Å; F117-V393 HydrophobicContact CE1-CG2 3.85Å; F117-V393 HydrophobicContact CE2-CG2 4.47Å; F117-V393 HydrophobicContact CZ-CG1 4.12Å; F117-V393 HydrophobicContact CZ-CG2 4.03Å; Q389-V393 WeakPolarHBondContact O-CG2 3.36Å; Q389-V393 PolarHBondContact O-N 3.38Å; L390-V393 PolarHBondContact O-N 2.92Å; W391-V393 PolarHBondContact O-N 3.3Å; V393-Y395 VanDerWaalsContact C-N 3.33Å; V393-Y395 PolarHBondContact O-N 2.96Å; V393-F397 WeakPolarHBondContact O-CB 3.28Å; V393-F397 PolarHBondContact O-N 3.08Å |
| 394 | L | 96.9 | Very high | 95.2 | Very high | 40 Ų | 40 | 31.7 Ų | 31.7 | 21% | 0.209 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.1 | -43.9 | 179 | -72.1 | 174.1 | 0 | 0 | 0 | 111.9 | V206 I209 Y210 L390 W391 S392 M398 | V206-L394 HydrophobicContact CG1-CB 4.2Å; V206-L394 HydrophobicContact CG2-CD2 4.49Å; I209-L394 HydrophobicContact CG2-CD1 4.31Å; Y210-L394 HydrophobicContact CE2-CB 4.12Å; L390-L394 HydrophobicContact CD1-CD1 4.23Å; L390-L394 HydrophobicContact CD1-CG 4.39Å; L390-L394 HydrophobicContact CG-CD1 4.2Å; L390-L394 WeakPolarHBondContact O-CG 3.48Å; L390-L394 PolarHBondContact O-N 3.39Å; W391-L394 PolarHBondContact O-N 3.24Å; S392-L394 PolarHBondContact O-N 2.97Å; L394-M398 WeakPolarHBondContact O-CB 3.43Å; L394-M398 PolarHBondContact O-N 3.25Å |
| 395 | Y | 96 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.5 | -51.9 | -178.2 | 174.9 | -103.3 | 0 | 0 | 0 | 112.4 | Y210 A374 Y378 I382 W391 S392 V393 F397 M398 L399 | Y210-Y395 WeakPolarHBondContact OH-CB 3.23Å; A374-Y395 WeakPolarHBondContact CA-OH 3.38Å; A374-Y395 VanDerWaalsContact O-CE1 3.29Å; A374-Y395 WeakPolarHBondContact O-CE1 3.37Å; A374-Y395 PolarHBondContact O-OH 3.41Å; Y378-Y395 AromaticContact CD1-CD2 3.89Å; Y378-Y395 HydrophobicContact CD1-CD2 3.89Å; Y378-Y395 AromaticContact CD1-CE2 3.47Å; Y378-Y395 HydrophobicContact CD1-CE2 3.47Å; Y378-Y395 VanDerWaalsContact CD1-CE2 3.47Å; Y378-Y395 AromaticContact CD1-CZ 3.9Å; Y378-Y395 AromaticContact CD2-CE2 3.92Å; Y378-Y395 HydrophobicContact CD2-CE2 3.92Å; Y378-Y395 AromaticContact CD2-CZ 3.8Å; Y378-Y395 VanDerWaalsContact CD2-OH 3.27Å; Y378-Y395 WeakPolarHBondContact CD2-OH 3.46Å; Y378-Y395 HydrophobicContact CE1-CD2 4.15Å; Y378-Y395 AromaticContact CE1-CE2 3.71Å; Y378-Y395 HydrophobicContact CE1-CE2 3.71Å; Y378-Y395 HydrophobicContact CE2-CE2 4.16Å; Y378-Y395 HydrophobicContact CG-CD2 4.35Å; Y378-Y395 HydrophobicContact CG-CE1 4.26Å; Y378-Y395 AromaticContact CG-CE2 3.56Å; Y378-Y395 HydrophobicContact CG-CE2 3.56Å; Y378-Y395 AromaticContact CG-CZ 3.5Å; I382-Y395 HydrophobicContact CD1-CD1 4.15Å; I382-Y395 HydrophobicContact CD1-CG 4.04Å; W391-Y395 WeakPolarHBondContact O-CB 3.46Å; W391-Y395 PolarHBondContact O-N 3.48Å; S392-Y395 PolarHBondContact O-N 2.81Å; V393-Y395 VanDerWaalsContact C-N 3.33Å; V393-Y395 PolarHBondContact O-N 2.96Å; Y395-F397 VanDerWaalsContact C-N 3.31Å; Y395-F397 PolarHBondContact O-N 3.49Å; Y395-M398 HydrophobicContact CD2-CE 3.8Å; Y395-M398 HydrophobicContact CE2-CE 4.04Å; Y395-M398 WeakPolarHBondContact O-CB 3.27Å; Y395-M398 PolarHBondContact O-N 3.38Å; Y395-L399 WeakPolarHBondContact O-CB 3.46Å; Y395-L399 PolarHBondContact O-N 3.23Å |
| 396 | F | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.1 | -29.8 | -179.1 | -73.4 | -65 | 0 | 0 | 0 | 112.6 | Y112 L113 W123 F375 T379 S392 L399 L400 | Y112-F396 VanDerWaalsContact CB-CE1 3.43Å; Y112-F396 VanDerWaalsContact CB-CZ 3.44Å; Y112-F396 AromaticContact CD1-CE1 3.94Å; Y112-F396 HydrophobicContact CD1-CE1 3.94Å; Y112-F396 AromaticContact CD1-CE2 3.64Å; Y112-F396 HydrophobicContact CD1-CE2 3.64Å; Y112-F396 AromaticContact CD1-CZ 3.24Å; Y112-F396 HydrophobicContact CD1-CZ 3.24Å; Y112-F396 HydrophobicContact CD2-CE1 4.38Å; Y112-F396 HydrophobicContact CD2-CZ 4.46Å; Y112-F396 HydrophobicContact CE1-CZ 4.08Å; Y112-F396 HydrophobicContact CG-CD1 4.31Å; Y112-F396 AromaticContact CG-CE1 3.67Å; Y112-F396 HydrophobicContact CG-CE1 3.67Å; Y112-F396 AromaticContact CG-CE2 3.98Å; Y112-F396 HydrophobicContact CG-CE2 3.98Å; Y112-F396 AromaticContact CG-CZ 3.47Å; Y112-F396 HydrophobicContact CG-CZ 3.47Å; Y112-F396 VanDerWaalsContact CG-CZ 3.47Å; L113-F396 HydrophobicContact CB-CB 4.05Å; L113-F396 HydrophobicContact CD1-CB 4.32Å; W123-F396 HydrophobicContact CH2-CE2 4.17Å; W123-F396 HydrophobicContact CZ2-CE2 4.22Å; F375-F396 AromaticContact CD1-CE1 3.62Å; F375-F396 HydrophobicContact CD1-CE1 3.62Å; F375-F396 HydrophobicContact CD1-CZ 4.26Å; F375-F396 HydrophobicContact CE1-CD1 4.25Å; F375-F396 AromaticContact CE1-CE1 3.65Å; F375-F396 HydrophobicContact CE1-CE1 3.65Å; T379-F396 HydrophobicContact CG2-CE2 3.95Å; T379-F396 HydrophobicContact CG2-CZ 3.52Å; S392-F396 VanDerWaalsContact O-CD2 3.28Å; S392-F396 WeakPolarHBondContact O-CD2 3.29Å; S392-F396 PolarHBondContact O-N 3.02Å; S392-F396 WeakPolarHBondContact OG-CD2 3.35Å; F396-L399 HydrophobicContact CD1-CD2 4.31Å; F396-L399 PolarHBondContact O-N 3.39Å; F396-L400 VanDerWaalsContact O-CB 3.3Å; F396-L400 WeakPolarHBondContact O-CB 3.39Å; F396-L400 PolarHBondContact O-N 3.35Å |
| 397 | F | 96.7 | Very high | 95.7 | Very high | 67 Ų | 67 | 22.1 Ų | 22.1 | 29% | 0.294 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -69.6 | -39.5 | 172.8 | -168.3 | -125.3 | 0 | 0 | 0 | 112.2 | L113 F198 L202 V393 Y395 L400 M401 | L113-F397 HydrophobicContact CD1-CB 4.35Å; L113-F397 HydrophobicContact CD2-CD2 4.24Å; F198-F397 HydrophobicContact CE1-CE1 4.37Å; F198-F397 AromaticContact CE1-CZ 4Å; F198-F397 HydrophobicContact CE1-CZ 4Å; F198-F397 HydrophobicContact CZ-CE1 4.02Å; F198-F397 AromaticContact CZ-CZ 3.96Å; F198-F397 HydrophobicContact CZ-CZ 3.96Å; L202-F397 HydrophobicContact CD1-CE1 4.41Å; L202-F397 HydrophobicContact CD2-CD1 3.38Å; L202-F397 HydrophobicContact CD2-CE1 3.23Å; L202-F397 HydrophobicContact CD2-CG 4.34Å; L202-F397 HydrophobicContact CD2-CZ 4.11Å; L202-F397 HydrophobicContact CG-CE1 4.43Å; V393-F397 WeakPolarHBondContact O-CB 3.28Å; V393-F397 PolarHBondContact O-N 3.08Å; Y395-F397 VanDerWaalsContact C-N 3.31Å; Y395-F397 PolarHBondContact O-N 3.49Å; F397-L400 PolarHBondContact O-N 3.01Å; F397-M401 HydrophobicContact CD2-CE 4.16Å; F397-M401 HydrophobicContact CE2-CE 3.65Å; F397-M401 HydrophobicContact CZ-CE 4.08Å; F397-M401 WeakPolarHBondContact O-CG 3.5Å; F397-M401 PolarHBondContact O-N 3.14Å |
| 398 | M | 95.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 17.7 Ų | 17.7 | 2% | 0.015 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.6 | -48.8 | 169.6 | 169.8 | -171.7 | 79.6 | 0 | 0 | 111.6 | V28 P203 V206 L207 L394 Y395 L400 M401 L402 | V28-M398 HydrophobicContact CG1-CE 4.29Å; P203-M398 HydrophobicContact CB-CG 3.98Å; V206-M398 HydrophobicContact CB-CB 3.9Å; V206-M398 HydrophobicContact CB-CG 4.19Å; V206-M398 HydrophobicContact CB-SD 3.95Å; V206-M398 HydrophobicContact CG1-CB 3.71Å; V206-M398 HydrophobicContact CG1-CG 4.19Å; V206-M398 HydrophobicContact CG1-SD 3.68Å; V206-M398 HydrophobicContact CG2-CB 4.14Å; L207-M398 HydrophobicContact CD2-CE 4.31Å; L207-M398 HydrophobicContact CD2-SD 3.76Å; L207-M398 HydrophobicContact CG-SD 3.76Å; L394-M398 WeakPolarHBondContact O-CB 3.43Å; L394-M398 PolarHBondContact O-N 3.25Å; Y395-M398 HydrophobicContact CD2-CE 3.8Å; Y395-M398 HydrophobicContact CE2-CE 4.04Å; Y395-M398 WeakPolarHBondContact O-CB 3.27Å; Y395-M398 PolarHBondContact O-N 3.38Å; M398-L400 VanDerWaalsContact C-N 3.25Å; M398-L400 PolarHBondContact O-N 3.42Å; M398-M401 PolarHBondContact O-N 3.3Å; M398-M401 VanDerWaalsContact O-N 3.14Å; M398-L402 HydrophobicContact CG-CD1 4.08Å; M398-L402 WeakPolarHBondContact O-CG 3.48Å; M398-L402 PolarHBondContact O-N 3.49Å |
| 399 | L | 95.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -55.8 | -44.6 | 179.4 | -161.6 | 93.2 | 0 | 0 | 0 | 110.6 | L25 W29 A109 A374 F375 Y395 F396 L402 G403 | L25-L399 HydrophobicContact CD2-CD1 3.89Å; L25-L399 HydrophobicContact CD2-CG 3.67Å; L25-L399 WeakPolarHBondContact CD2-O 3.36Å; W29-L399 HydrophobicContact CE3-CD1 4.02Å; W29-L399 HydrophobicContact CZ3-CD1 3.88Å; W29-L399 HydrophobicContact CZ3-CD2 4.38Å; W29-L399 HydrophobicContact CZ3-CG 4.41Å; A109-L399 HydrophobicContact CB-CD2 3.81Å; A374-L399 HydrophobicContact CB-CD1 4.47Å; F375-L399 HydrophobicContact CE1-CD2 4.11Å; F375-L399 HydrophobicContact CZ-CD2 3.76Å; Y395-L399 WeakPolarHBondContact O-CB 3.46Å; Y395-L399 PolarHBondContact O-N 3.23Å; F396-L399 HydrophobicContact CD1-CD2 4.31Å; F396-L399 PolarHBondContact O-N 3.39Å; L399-L402 PolarHBondContact O-N 3.46Å; L399-G403 PolarHBondContact O-N 2.87Å |
| 400 | L | 95.7 | Very high | 95.5 | Very high | 5 Ų | 5 | 15.2 Ų | 15.2 | 3% | 0.026 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63 | -43 | 177 | -177.4 | 68 | 0 | 0 | 0 | 112.3 | N106 A109 F110 L113 F396 F397 M398 G403 I404 | N106-L400 HydrophobicContact CB-CD1 4.12Å; A109-L400 HydrophobicContact CB-CB 4.34Å; A109-L400 HydrophobicContact CB-CD1 4.36Å; F110-L400 HydrophobicContact CD1-CD1 4.45Å; F110-L400 HydrophobicContact CD1-CD2 4.02Å; F110-L400 HydrophobicContact CD2-CD1 3.83Å; F110-L400 HydrophobicContact CE1-CD1 4.14Å; F110-L400 HydrophobicContact CE1-CD2 3.42Å; F110-L400 VanDerWaalsContact CE1-CD2 3.42Å; F110-L400 HydrophobicContact CE1-CG 4.42Å; F110-L400 HydrophobicContact CE2-CD1 3.45Å; F110-L400 VanDerWaalsContact CE2-CD1 3.45Å; F110-L400 HydrophobicContact CE2-CD2 4.27Å; F110-L400 HydrophobicContact CE2-CG 4.47Å; F110-L400 HydrophobicContact CG-CD1 4.3Å; F110-L400 HydrophobicContact CZ-CD1 3.63Å; F110-L400 HydrophobicContact CZ-CD2 3.57Å; F110-L400 HydrophobicContact CZ-CG 4.18Å; L113-L400 HydrophobicContact CD2-CD2 4.32Å; F396-L400 VanDerWaalsContact O-CB 3.3Å; F396-L400 WeakPolarHBondContact O-CB 3.39Å; F396-L400 PolarHBondContact O-N 3.35Å; F397-L400 PolarHBondContact O-N 3.01Å; M398-L400 VanDerWaalsContact C-N 3.25Å; M398-L400 PolarHBondContact O-N 3.42Å; L400-G403 PolarHBondContact O-N 3.04Å; L400-I404 HydrophobicContact CD1-CD1 4.02Å; L400-I404 HydrophobicContact CD1-CG1 4.29Å; L400-I404 HydrophobicContact CD2-CD1 4.38Å; L400-I404 HydrophobicContact CG-CD1 3.79Å; L400-I404 HydrophobicContact CG-CG1 4.41Å; L400-I404 WeakPolarHBondContact O-CB 3.22Å; L400-I404 VanDerWaalsContact O-CG1 3.25Å; L400-I404 WeakPolarHBondContact O-CG1 3.43Å; L400-I404 PolarHBondContact O-N 3.12Å |
| 401 | M | 95.7 | Very high | 95.4 | Very high | 13 Ų | 13 | 10.8 Ų | 10.8 | 6% | 0.064 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -64.9 | -40.3 | 177.8 | -72.9 | -49.2 | 108.6 | 0 | 0 | 112.7 | F198 T199 L202 P203 F397 M398 I404 G405 | F198-M401 HydrophobicContact CD1-SD 3.66Å; F198-M401 HydrophobicContact CE1-CE 4.4Å; F198-M401 HydrophobicContact CE1-CG 4.18Å; F198-M401 HydrophobicContact CE1-SD 3.5Å; F198-M401 VanDerWaalsContact CE1-SD 3.5Å; T199-M401 HydrophobicContact CG2-SD 3.84Å; L202-M401 HydrophobicContact CB-CG 4.44Å; L202-M401 HydrophobicContact CD2-CB 4.42Å; L202-M401 HydrophobicContact CD2-CG 3.47Å; L202-M401 VanDerWaalsContact CD2-CG 3.47Å; P203-M401 HydrophobicContact CG-CB 4.01Å; F397-M401 HydrophobicContact CD2-CE 4.16Å; F397-M401 HydrophobicContact CE2-CE 3.65Å; F397-M401 HydrophobicContact CZ-CE 4.08Å; F397-M401 WeakPolarHBondContact O-CG 3.5Å; F397-M401 PolarHBondContact O-N 3.14Å; M398-M401 PolarHBondContact O-N 3.3Å; M398-M401 VanDerWaalsContact O-N 3.14Å; M401-I404 HydrophobicContact CE-CD1 4.01Å; M401-G405 PolarHBondContact O-N 3.48Å |
| 402 | L | 95.1 | Very high | 95.3 | Very high | 5 Ų | 5 | 9.9 Ų | 9.9 | 3% | 0.026 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 174.9 | -71.2 | 171.2 | 0 | 0 | 0 | 111.3 | V23 L25 V28 P203 M398 L399 G405 S406 | V23-L402 HydrophobicContact CG1-CD2 3.92Å; L25-L402 HydrophobicContact CD2-CB 4.29Å; V28-L402 HydrophobicContact CB-CD1 4.48Å; V28-L402 HydrophobicContact CG2-CD1 3.47Å; V28-L402 VanDerWaalsContact CG2-CD1 3.47Å; P203-L402 HydrophobicContact CB-CD1 4.31Å; P203-L402 HydrophobicContact CB-CD2 3.6Å; P203-L402 HydrophobicContact CB-CG 3.82Å; P203-L402 HydrophobicContact CG-CD2 3.64Å; P203-L402 HydrophobicContact CG-CG 3.76Å; M398-L402 HydrophobicContact CG-CD1 4.08Å; M398-L402 WeakPolarHBondContact O-CG 3.48Å; M398-L402 PolarHBondContact O-N 3.49Å; L399-L402 PolarHBondContact O-N 3.46Å; L402-G405 PolarHBondContact O-N 2.95Å; L402-S406 PolarHBondContact O-N 3.19Å; L402-S406 PolarHBondContact O-OG 3.14Å |
| 403 | G | 95.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 9.9 Ų | 9.9 | 1% | 0.01 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -67.8 | -39.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N106 L399 L400 S406 M407 | N106-G403 VanDerWaalsContact OD1-CA 3.22Å; N106-G403 WeakPolarHBondContact OD1-CA 3.42Å; L399-G403 PolarHBondContact O-N 2.87Å; L400-G403 PolarHBondContact O-N 3.04Å; G403-S406 PolarHBondContact O-N 2.78Å; G403-M407 WeakPolarHBondContact O-CG 3.35Å; G403-M407 PolarHBondContact O-N 3.43Å |
| 404 | I | 95.1 | Very high | 95.1 | Very high | 9 Ų | 9 | 8.5 Ų | 8.5 | 5% | 0.046 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 172.7 | -69 | 168.1 | 0 | 0 | 0 | 110.3 | V180 T199 L400 M401 S406 M407 L408 | V180-I404 HydrophobicContact CG1-CD1 3.75Å; V180-I404 HydrophobicContact CG1-CG1 4.45Å; T199-I404 HydrophobicContact CG2-CB 4.47Å; T199-I404 HydrophobicContact CG2-CG2 4.06Å; L400-I404 HydrophobicContact CD1-CD1 4.02Å; L400-I404 HydrophobicContact CD1-CG1 4.29Å; L400-I404 HydrophobicContact CD2-CD1 4.38Å; L400-I404 HydrophobicContact CG-CD1 3.79Å; L400-I404 HydrophobicContact CG-CG1 4.41Å; L400-I404 WeakPolarHBondContact O-CB 3.22Å; L400-I404 VanDerWaalsContact O-CG1 3.25Å; L400-I404 WeakPolarHBondContact O-CG1 3.43Å; L400-I404 PolarHBondContact O-N 3.12Å; M401-I404 HydrophobicContact CE-CD1 4.01Å; I404-S406 PolarHBondContact O-N 3.34Å; I404-M407 WeakPolarHBondContact O-CA 3.47Å; I404-M407 WeakPolarHBondContact O-CB 3.41Å; I404-M407 PolarHBondContact O-N 2.96Å; I404-L408 WeakPolarHBondContact O-CG 3.46Å; I404-L408 PolarHBondContact O-N 3Å |
| 405 | G | 94.6 | Very high | 95 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.01 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -56.4 | -48.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | S20 M401 L402 M407 L408 | S20-G405 CarbonylContact O-C 3.59Å; S20-G405 WeakPolarHBondContact O-CA 3.47Å; S20-G405 WeakPolarHBondContact OG-CA 3.35Å; M401-G405 PolarHBondContact O-N 3.48Å; L402-G405 PolarHBondContact O-N 2.95Å; G405-M407 VanDerWaalsContact C-N 3.29Å; G405-M407 PolarHBondContact O-N 3.07Å; G405-L408 PolarHBondContact O-N 3.32Å |
| 406 | S | 94.2 | Very high | 94.8 | Very high | 6 Ų | 6 | 7.5 Ų | 7.5 | 4% | 0.042 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -59 | -40.1 | 173.3 | -61.7 | 0 | 0 | 0 | 0 | 112 | S20 G24 L402 G403 I404 L408 G409 N410 | S20-S406 PolarHBondContact O-N 3.23Å; G24-S406 WeakPolarHBondContact CA-OG 3.44Å; L402-S406 PolarHBondContact O-N 3.19Å; L402-S406 PolarHBondContact O-OG 3.14Å; G403-S406 PolarHBondContact O-N 2.78Å; I404-S406 PolarHBondContact O-N 3.34Å; S406-L408 VanDerWaalsContact C-N 3.33Å; S406-L408 PolarHBondContact O-N 2.75Å; S406-G409 PolarHBondContact O-N 3.03Å; S406-N410 PolarHBondContact O-N 3.17Å; S406-N410 VanDerWaalsContact O-N 3.1Å |
| 407 | M | 95 | Very high | 94.7 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -65.2 | -31.8 | 179 | -77.6 | -40.3 | -44.6 | 0 | 0 | 114 | S99 N103 W178 V181 G403 I404 G405 G409 N410 T411 | S99-M407 VanDerWaalsContact CA-CE 3.44Å; S99-M407 VanDerWaalsContact CB-CE 3.47Å; N103-M407 HydrophobicContact CB-CG 4.42Å; N103-M407 HydrophobicContact CB-SD 4.3Å; W178-M407 HydrophobicContact CH2-CE 4.36Å; V181-M407 HydrophobicContact CG1-CB 4.45Å; V181-M407 HydrophobicContact CG2-CB 3.86Å; V181-M407 HydrophobicContact CG2-CG 4.22Å; G403-M407 WeakPolarHBondContact O-CG 3.35Å; G403-M407 PolarHBondContact O-N 3.43Å; I404-M407 WeakPolarHBondContact O-CA 3.47Å; I404-M407 WeakPolarHBondContact O-CB 3.41Å; I404-M407 PolarHBondContact O-N 2.96Å; G405-M407 VanDerWaalsContact C-N 3.29Å; G405-M407 PolarHBondContact O-N 3.07Å; M407-G409 VanDerWaalsContact C-N 3.32Å; M407-G409 PolarHBondContact O-N 2.86Å; M407-N410 HydrophobicContact CE-CB 3.98Å; M407-N410 PolarHBondContact O-N 2.93Å; M407-T411 HydrophobicContact CE-CG2 4.01Å; M407-T411 WeakPolarHBondContact O-CB 3.45Å; M407-T411 WeakPolarHBondContact O-CG2 3.33Å; M407-T411 PolarHBondContact O-N 3.28Å; M407-T411 PolarHBondContact O-OG1 2.66Å |
| 408 | L | 93.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 7 Ų | 7 | 2% | 0.016 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -62.9 | -38.8 | 175.5 | -62.9 | 174.1 | 0 | 0 | 0 | 111.8 | C184 I185 T192 V195 V196 I404 G405 S406 T411 A412 | C184-L408 HydrophobicContact CB-CD2 3.59Å; I185-L408 HydrophobicContact CG2-CD2 3.62Å; T192-L408 HydrophobicContact CG2-CB 4.22Å; T192-L408 HydrophobicContact CG2-CD1 4.18Å; T192-L408 HydrophobicContact CG2-CD2 4.46Å; V195-L408 HydrophobicContact CG1-CD1 4.09Å; V196-L408 HydrophobicContact CG1-CD1 3.95Å; I404-L408 WeakPolarHBondContact O-CG 3.46Å; I404-L408 PolarHBondContact O-N 3Å; G405-L408 PolarHBondContact O-N 3.32Å; S406-L408 VanDerWaalsContact C-N 3.33Å; S406-L408 PolarHBondContact O-N 2.75Å; L408-T411 PolarHBondContact O-OG1 2.84Å; L408-A412 VanDerWaalsContact O-CB 3.29Å; L408-A412 WeakPolarHBondContact O-CB 3.49Å; L408-A412 PolarHBondContact O-N 3.21Å; L408-A412 VanDerWaalsContact O-N 3.15Å |
| 409 | G | 92.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -74.5 | -42.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | S258 F262 S406 M407 A412 A413 | S258-G409 VanDerWaalsContact CB-O 3.29Å; S258-G409 WeakPolarHBondContact CB-O 3.25Å; S258-G409 VanDerWaalsContact OG-C 3.29Å; S258-G409 PolarHBondContact OG-O 3.46Å; F262-G409 VanDerWaalsContact CZ-CA 3.47Å; S406-G409 PolarHBondContact O-N 3.03Å; M407-G409 VanDerWaalsContact C-N 3.32Å; M407-G409 PolarHBondContact O-N 2.86Å; G409-A412 PolarHBondContact O-N 3Å; G409-A413 PolarHBondContact O-N 3.39Å; G409-A413 VanDerWaalsContact O-N 3.09Å |
| 410 | N | 93.8 | Very high | 94 | Very high | 4 Ų | 4 | 10.9 Ų | 10.9 | 2% | 0.021 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.9 | -43.1 | 178.1 | -72.8 | -19.8 | 0 | 0 | 0 | 111.8 | Y21 S99 S406 M407 A412 A413 I414 | Y21-N410 WeakPolarHBondContact CE2-OD1 3.35Å; S99-N410 WeakPolarHBondContact OG-CB 3.43Å; S406-N410 PolarHBondContact O-N 3.17Å; S406-N410 VanDerWaalsContact O-N 3.1Å; M407-N410 HydrophobicContact CE-CB 3.98Å; M407-N410 PolarHBondContact O-N 2.93Å; N410-A412 PolarHBondContact O-N 3.14Å; N410-A413 WeakPolarHBondContact O-CB 3.48Å; N410-A413 PolarHBondContact O-N 3.18Å; N410-I414 PolarHBondContact O-N 2.81Å |
| 411 | T | 94.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.006 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67.2 | -36.1 | 175.7 | 52.5 | 0 | 0 | 0 | 0 | 112 | W178 V181 M407 L408 A413 I414 L415 | W178-T411 HydrophobicContact CZ3-CG2 4.36Å; V181-T411 HydrophobicContact CG1-CG2 3.95Å; M407-T411 HydrophobicContact CE-CG2 4.01Å; M407-T411 WeakPolarHBondContact O-CB 3.45Å; M407-T411 WeakPolarHBondContact O-CG2 3.33Å; M407-T411 PolarHBondContact O-N 3.28Å; M407-T411 PolarHBondContact O-OG1 2.66Å; L408-T411 PolarHBondContact O-OG1 2.84Å; T411-A413 VanDerWaalsContact C-N 3.34Å; T411-A413 PolarHBondContact O-N 3.08Å; T411-I414 PolarHBondContact O-N 2.78Å; T411-L415 WeakPolarHBondContact O-CB 3.42Å; T411-L415 WeakPolarHBondContact O-CG 3.32Å; T411-L415 PolarHBondContact O-N 3.38Å |
| 412 | A | 93.8 | Very high | 93.1 | Very high | 14 Ų | 14 | 19.9 Ų | 19.9 | 12% | 0.116 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.4 | -39.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F262 L408 G409 N410 I414 L415 T416 | F262-A412 HydrophobicContact CD1-CB 4.12Å; F262-A412 HydrophobicContact CE1-CB 3.52Å; F262-A412 HydrophobicContact CZ-CB 4.23Å; L408-A412 VanDerWaalsContact O-CB 3.29Å; L408-A412 WeakPolarHBondContact O-CB 3.49Å; L408-A412 PolarHBondContact O-N 3.21Å; L408-A412 VanDerWaalsContact O-N 3.15Å; G409-A412 PolarHBondContact O-N 3Å; N410-A412 PolarHBondContact O-N 3.14Å; A412-I414 PolarHBondContact O-N 3.43Å; A412-L415 PolarHBondContact O-N 3.27Å; A412-T416 VanDerWaalsContact O-CB 3.29Å; A412-T416 WeakPolarHBondContact O-CB 3.39Å; A412-T416 PolarHBondContact O-N 2.75Å; A412-T416 PolarHBondContact O-OG1 3.47Å; A412-T416 VanDerWaalsContact O-OG1 3.09Å |
| 413 | A | 94.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.5 | -33.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S95 F256 S258 G409 N410 T411 P417 | S95-A413 WeakPolarHBondContact OG-CB 3.39Å; F256-A413 WeakPolarHBondContact O-CB 3.34Å; S258-A413 WeakPolarHBondContact OG-CB 3.33Å; G409-A413 PolarHBondContact O-N 3.39Å; G409-A413 VanDerWaalsContact O-N 3.09Å; N410-A413 WeakPolarHBondContact O-CB 3.48Å; N410-A413 PolarHBondContact O-N 3.18Å; T411-A413 VanDerWaalsContact C-N 3.34Å; T411-A413 PolarHBondContact O-N 3.08Å; A413-P417 WeakPolarHBondContact O-CD 3.42Å; A413-P417 VanDerWaalsContact O-CG 3.25Å; A413-P417 WeakPolarHBondContact O-CG 3.39Å |
| 414 | I | 95.7 | Very high | 92.3 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -81.5 | -47.4 | 178.2 | -57.5 | 166.4 | 0 | 0 | 0 | 110.1 | V92 F96 N410 T411 A412 P417 L418 V437 | V92-I414 HydrophobicContact CG1-CG2 4.33Å; F96-I414 HydrophobicContact CB-CD1 4.14Å; F96-I414 HydrophobicContact CD2-CD1 4.46Å; N410-I414 PolarHBondContact O-N 2.81Å; T411-I414 PolarHBondContact O-N 2.78Å; A412-I414 PolarHBondContact O-N 3.43Å; I414-P417 WeakPolarHBondContact O-CD 3.47Å; I414-L418 HydrophobicContact CG2-CD1 3.8Å; I414-L418 VanDerWaalsContact O-CG 3.25Å; I414-L418 WeakPolarHBondContact O-CG 3.46Å; I414-L418 PolarHBondContact O-N 3.45Å; I414-V437 HydrophobicContact CG2-CG1 3.92Å; I414-V437 HydrophobicContact CG2-CG2 4.29Å |
| 415 | L | 94.1 | Very high | 91.8 | Very high | 15 Ų | 15 | 30.6 Ų | 30.6 | 8% | 0.079 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -73.9 | -36.7 | -170.4 | -68.3 | 169.5 | 0 | 0 | 0 | 113.2 | I185 T411 A412 L418 T419 I433 V437 | I185-L415 HydrophobicContact CD1-CD1 3.49Å; I185-L415 VanDerWaalsContact CD1-CD1 3.49Å; T411-L415 WeakPolarHBondContact O-CB 3.42Å; T411-L415 WeakPolarHBondContact O-CG 3.32Å; T411-L415 PolarHBondContact O-N 3.38Å; A412-L415 PolarHBondContact O-N 3.27Å; L415-L418 PolarHBondContact O-N 3.28Å; L415-T419 WeakPolarHBondContact O-CB 3.31Å; L415-T419 PolarHBondContact O-N 3.39Å; L415-T419 PolarHBondContact O-OG1 2.72Å; L415-I433 HydrophobicContact CD2-CG2 4.1Å; L415-V437 HydrophobicContact CD2-CB 4Å; L415-V437 HydrophobicContact CD2-CG1 4.35Å; L415-V437 HydrophobicContact CD2-CG2 3.82Å |
| 416 | T | 93.5 | Very high | 91.5 | Very high | 5 Ų | 5 | 34.7 Ų | 34.7 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.8 | -50.7 | -177.3 | -64.5 | 0 | 0 | 0 | 0 | 111.7 | A261 Y265 A412 L418 T419 D420 | A261-T416 HydrophobicContact CB-CG2 4.04Å; Y265-T416 HydrophobicContact CE2-CG2 4.28Å; Y265-T416 PolarHBondContact OH-OG1 3.45Å; A412-T416 VanDerWaalsContact O-CB 3.29Å; A412-T416 WeakPolarHBondContact O-CB 3.39Å; A412-T416 PolarHBondContact O-N 2.75Å; A412-T416 PolarHBondContact O-OG1 3.47Å; A412-T416 VanDerWaalsContact O-OG1 3.09Å; T416-L418 PolarHBondContact O-N 2.93Å; T416-T419 PolarHBondContact O-N 2.81Å; T416-D420 WeakPolarHBondContact O-CB 3.37Å; T416-D420 PolarHBondContact O-N 3.24Å |
| 417 | P | 93.2 | Very high | 91.3 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62 | -39.3 | 174.3 | -22.9 | 34.3 | 0 | 0 | 0 | 114.1 | S73 I74 V92 A413 I414 D420 S421 | S73-P417 WeakPolarHBondContact OG-CG 3.37Å; I74-P417 HydrophobicContact CB-CB 4.2Å; I74-P417 HydrophobicContact CD1-CB 3.79Å; I74-P417 HydrophobicContact CG1-CB 3.91Å; I74-P417 HydrophobicContact CG1-CG 4.48Å; V92-P417 HydrophobicContact CG2-CB 4.28Å; V92-P417 HydrophobicContact CG2-CG 3.91Å; A413-P417 WeakPolarHBondContact O-CD 3.42Å; A413-P417 VanDerWaalsContact O-CG 3.25Å; A413-P417 WeakPolarHBondContact O-CG 3.39Å; I414-P417 WeakPolarHBondContact O-CD 3.47Å; P417-D420 PolarHBondContact O-N 3.21Å; P417-S421 PolarHBondContact O-N 2.98Å |
| 418 | L | 92.4 | Very high | 91.1 | Very high | 47 Ų | 47 | 45.1 Ų | 45.1 | 25% | 0.246 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.8 | -40.1 | 178.2 | -69.3 | 176.6 | 0 | 0 | 0 | 111.9 | I414 L415 T416 S421 I424 I433 V437 | I414-L418 HydrophobicContact CG2-CD1 3.8Å; I414-L418 VanDerWaalsContact O-CG 3.25Å; I414-L418 WeakPolarHBondContact O-CG 3.46Å; I414-L418 PolarHBondContact O-N 3.45Å; L415-L418 PolarHBondContact O-N 3.28Å; T416-L418 PolarHBondContact O-N 2.93Å; L418-S421 WeakPolarHBondContact O-CB 3.26Å; L418-S421 PolarHBondContact O-N 3.24Å; L418-I424 HydrophobicContact CD2-CD1 3.64Å; L418-I433 HydrophobicContact CB-CG2 4.21Å; L418-V437 HydrophobicContact CD1-CG2 3.81Å |
| 419 | T | 90.8 | Very high | 91 | Very high | 23 Ų | 23 | 48.7 Ų | 48.7 | 14% | 0.141 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.7 | -29.7 | 179.1 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | L415 T416 S421 K430 | L415-T419 WeakPolarHBondContact O-CB 3.31Å; L415-T419 PolarHBondContact O-N 3.39Å; L415-T419 PolarHBondContact O-OG1 2.72Å; T416-T419 PolarHBondContact O-N 2.81Å; T419-S421 VanDerWaalsContact C-N 3.27Å; T419-K430 HydrophobicContact CG2-CD 3.81Å; T419-K430 HydrophobicContact CG2-CG 3.7Å |
| 420 | D | 90.2 | Very high | 90.7 | Very high | 63 Ų | 63 | 54 Ų | 54 | 34% | 0.337 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -74.9 | -18.1 | 174.4 | -72 | -10.8 | 0 | 0 | 0 | 112.4 | R5 G72 T416 P417 K422 | R5-D420 IonicContact CZ-OD1 3.34Å; R5-D420 IonicContact CZ-OD2 3.5Å; R5-D420 IonicContact NH2-OD1 3.03Å; R5-D420 PolarHBondContact NH2-OD1 3.25Å; R5-D420 IonicContact NH2-OD2 3.91Å; R5-D420 PolarHBondContact NH2-OD2 3.27Å; G72-D420 PolarHBondContact N-OD2 3.42Å; T416-D420 WeakPolarHBondContact O-CB 3.37Å; T416-D420 PolarHBondContact O-N 3.24Å; P417-D420 PolarHBondContact O-N 3.21Å; D420-K422 PolarHBondContact O-N 2.9Å |
| 421 | S | 88.2 | Confident | 90.6 | Very high | 40 Ų | 40 | 58 Ų | 58 | 28% | 0.28 | 31% | 0.308 | S | S | . | . | trans | -68.7 | 117.8 | 176.6 | -177.7 | 0 | 0 | 0 | 0 | 111 | P417 L418 T419 I423 I424 S425 | P417-S421 PolarHBondContact O-N 2.98Å; L418-S421 WeakPolarHBondContact O-CB 3.26Å; L418-S421 PolarHBondContact O-N 3.24Å; T419-S421 VanDerWaalsContact C-N 3.27Å; S421-I423 PolarHBondContact O-N 2.87Å; S421-I424 PolarHBondContact O-N 3.11Å; S421-S425 VanDerWaalsContact O-CB 3.3Å; S421-S425 WeakPolarHBondContact O-CB 3.46Å; S421-S425 PolarHBondContact O-N 3.13Å; S421-S425 PolarHBondContact O-OG 2.86Å | ||
| 422 | K | 85.2 | Confident | 90.5 | Very high | 168 Ų | 168 | 60 Ų | 60 | 73% | 0.73 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -59.4 | -32.6 | 177.9 | -67.9 | -171.9 | -180 | -178.1 | 0 | 113.1 | D420 S425 S426 | D420-K422 PolarHBondContact O-N 2.9Å; K422-S425 WeakPolarHBondContact CA-OG 3.28Å; K422-S426 WeakPolarHBondContact O-CB 3.42Å; K422-S426 PolarHBondContact O-N 3.41Å; K422-S426 PolarHBondContact O-OG 3.31Å; K422-S426 VanDerWaalsContact O-OG 3.08Å |
| 423 | I | 85.9 | Confident | 90.5 | Very high | 126 Ų | 126 | 59.6 Ų | 59.6 | 65% | 0.646 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -68 | -48 | 179.9 | -61.5 | 170.2 | 0 | 0 | 0 | 109.9 | S421 S426 H427 | S421-I423 PolarHBondContact O-N 2.87Å; I423-S426 PolarHBondContact O-OG 3.09Å; I423-H427 PolarHBondContact O-CD2 2.04Å |
| 424 | I | 87.1 | Confident | 90.4 | Very high | 57 Ų | 57 | 60 Ų | 60 | 29% | 0.292 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -76.3 | -45.7 | -174.6 | -59.8 | 176.2 | 0 | 0 | 0 | 110.4 | L418 S421 S426 H427 L428 I433 | L418-I424 HydrophobicContact CD2-CD1 3.64Å; S421-I424 PolarHBondContact O-N 3.11Å; I424-S426 PolarHBondContact O-N 2.83Å; I424-H427 PolarHBondContact O-N 3.21Å; I424-L428 PolarHBondContact O-N 3.45Å; I424-I433 HydrophobicContact CG2-CD1 3.77Å; I424-I433 HydrophobicContact CG2-CG1 4.05Å |
| 425 | S | 85.1 | Confident | 90.4 | Very high | 56 Ų | 56 | 60.8 Ų | 60.8 | 39% | 0.392 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.3 | -18.8 | -178.6 | 60.4 | 0 | 0 | 0 | 0 | 114.3 | S421 K422 | S421-S425 VanDerWaalsContact O-CB 3.3Å; S421-S425 WeakPolarHBondContact O-CB 3.46Å; S421-S425 PolarHBondContact O-N 3.13Å; S421-S425 PolarHBondContact O-OG 2.86Å; K422-S425 WeakPolarHBondContact CA-OG 3.28Å |
| 426 | S | 87.4 | Confident | 90.4 | Very high | 87 Ų | 87 | 64.4 Ų | 64.4 | 61% | 0.608 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -78.5 | -25.2 | 171.6 | 59.4 | 0 | 0 | 0 | 0 | 113.4 | K422 I423 I424 | K422-S426 WeakPolarHBondContact O-CB 3.42Å; K422-S426 PolarHBondContact O-N 3.41Å; K422-S426 PolarHBondContact O-OG 3.31Å; K422-S426 VanDerWaalsContact O-OG 3.08Å; I423-S426 PolarHBondContact O-OG 3.09Å; I424-S426 PolarHBondContact O-N 2.83Å |
| 427 | H | 90.2 | Very high | 90.5 | Very high | 155 Ų | 155 | 65 Ų | 65 | 72% | 0.718 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -97 | -31.4 | -177.6 | -73.3 | -70.6 | 0 | 0 | 0 | 113.4 | I423 I424 | I423-H427 PolarHBondContact O-CD2 2.04Å; I424-H427 PolarHBondContact O-N 3.21Å |
| 428 | L | 90.7 | Very high | 90.6 | Very high | 71 Ų | 71 | 65 Ų | 65 | 37% | 0.372 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -131 | 138 | -174.2 | -65.7 | 173.2 | 0 | 0 | 0 | 111.9 | I424 A432 I433 L436 | I424-L428 PolarHBondContact O-N 3.45Å; L428-A432 HydrophobicContact CD2-CB 4.48Å; L428-I433 HydrophobicContact CB-CD1 4.37Å; L428-I433 HydrophobicContact CB-CG1 3.77Å; L428-I433 HydrophobicContact CD1-CG1 4.47Å; L428-L436 HydrophobicContact CD1-CD2 4.5Å |
| 429 | P | 91.3 | Very high | 90.8 | Very high | 77 Ų | 77 | 68.2 Ų | 68.2 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | trans | -68.4 | 159.9 | 169.5 | 30.9 | -34.7 | 0 | 0 | 0 | 110.9 | E431 A432 I433 | P429-E431 VanDerWaalsContact C-N 3.25Å; P429-E431 PolarHBondContact O-N 2.86Å; P429-A432 HydrophobicContact CG-CB 3.72Å; P429-A432 PolarHBondContact O-N 3.44Å; P429-A432 VanDerWaalsContact O-N 3.08Å; P429-I433 WeakPolarHBondContact O-CG1 3.25Å; P429-I433 PolarHBondContact O-N 3.37Å | ||
| 430 | K | 87.4 | Confident | 91 | Very high | 113 Ų | 113 | 69.8 Ų | 69.8 | 49% | 0.491 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.8 | -36.6 | -173 | -61.3 | -172.4 | 177 | -179.5 | 0 | 112.7 | T419 I433 S434 | T419-K430 HydrophobicContact CG2-CD 3.81Å; T419-K430 HydrophobicContact CG2-CG 3.7Å; K430-I433 PolarHBondContact O-N 3.03Å; K430-S434 WeakPolarHBondContact O-CB 3.41Å; K430-S434 PolarHBondContact O-N 3.33Å; K430-S434 PolarHBondContact O-OG 2.9Å |
| 431 | E | 91.2 | Very high | 91.3 | Very high | 88 Ų | 88 | 66.8 Ų | 66.8 | 41% | 0.411 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 178.4 | -59.8 | 77.7 | -176.1 | 0 | 0 | 110.3 | L186 P429 S434 G435 | L186-E431 HydrophobicContact CD1-CB 4.41Å; L186-E431 HydrophobicContact CD1-CG 4.48Å; P429-E431 VanDerWaalsContact C-N 3.25Å; P429-E431 PolarHBondContact O-N 2.86Å; E431-S434 PolarHBondContact O-N 2.89Å; E431-G435 PolarHBondContact O-N 2.78Å |
| 432 | A | 92.4 | Very high | 91.7 | Very high | 41 Ų | 41 | 65.3 Ų | 65.3 | 34% | 0.339 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.5 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L428 P429 S434 G435 L436 | L428-A432 HydrophobicContact CD2-CB 4.48Å; P429-A432 HydrophobicContact CG-CB 3.72Å; P429-A432 PolarHBondContact O-N 3.44Å; P429-A432 VanDerWaalsContact O-N 3.08Å; A432-S434 VanDerWaalsContact C-N 3.32Å; A432-S434 PolarHBondContact O-N 2.89Å; A432-G435 PolarHBondContact O-N 2.82Å; A432-L436 WeakPolarHBondContact O-CB 3.47Å; A432-L436 PolarHBondContact O-N 3.19Å |
| 433 | I | 93.4 | Very high | 92.2 | Very high | 7 Ų | 7 | 60.3 Ų | 60.3 | 4% | 0.036 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60 | -46.3 | 173.3 | -62.5 | 168.8 | 0 | 0 | 0 | 109.8 | L415 L418 I424 L428 P429 K430 L436 V437 | L415-I433 HydrophobicContact CD2-CG2 4.1Å; L418-I433 HydrophobicContact CB-CG2 4.21Å; I424-I433 HydrophobicContact CG2-CD1 3.77Å; I424-I433 HydrophobicContact CG2-CG1 4.05Å; L428-I433 HydrophobicContact CB-CD1 4.37Å; L428-I433 HydrophobicContact CB-CG1 3.77Å; L428-I433 HydrophobicContact CD1-CG1 4.47Å; P429-I433 WeakPolarHBondContact O-CG1 3.25Å; P429-I433 PolarHBondContact O-N 3.37Å; K430-I433 PolarHBondContact O-N 3.03Å; I433-L436 PolarHBondContact O-N 3.5Å; I433-V437 WeakPolarHBondContact O-CG2 3.35Å; I433-V437 PolarHBondContact O-N 3.08Å |
| 434 | S | 93.3 | Very high | 92.6 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 6% | 0.063 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 178.4 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | K430 E431 A432 V437 C438 | K430-S434 WeakPolarHBondContact O-CB 3.41Å; K430-S434 PolarHBondContact O-N 3.33Å; K430-S434 PolarHBondContact O-OG 2.9Å; E431-S434 PolarHBondContact O-N 2.89Å; A432-S434 VanDerWaalsContact C-N 3.32Å; A432-S434 PolarHBondContact O-N 2.89Å; S434-V437 PolarHBondContact O-N 3.21Å; S434-C438 PolarHBondContact O-N 3.12Å; S434-C438 PolarHBondContact O-SG 3.32Å; S434-C438 VanDerWaalsContact O-SG 3.39Å |
| 435 | G | 94.8 | Very high | 93 | Very high | 20 Ų | 20 | 55.1 Ų | 55.1 | 21% | 0.206 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y182 E431 A432 C438 L439 | Y182-G435 VanDerWaalsContact CE2-CA 3.42Å; E431-G435 PolarHBondContact O-N 2.78Å; A432-G435 PolarHBondContact O-N 2.82Å; G435-C438 PolarHBondContact O-N 2.97Å; G435-L439 VanDerWaalsContact O-CB 3.25Å; G435-L439 WeakPolarHBondContact O-CB 3.36Å; G435-L439 PolarHBondContact O-N 3.4Å |
| 436 | L | 94.8 | Very high | 93.4 | Very high | 92 Ų | 92 | 55.2 Ų | 55.2 | 48% | 0.482 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 177.9 | -176.5 | 63.8 | 0 | 0 | 0 | 111.7 | L428 A432 I433 L439 V440 | L428-L436 HydrophobicContact CD1-CD2 4.5Å; A432-L436 WeakPolarHBondContact O-CB 3.47Å; A432-L436 PolarHBondContact O-N 3.19Å; I433-L436 PolarHBondContact O-N 3.5Å; L436-L439 PolarHBondContact O-N 2.9Å; L436-V440 HydrophobicContact CD1-CG2 4.17Å; L436-V440 HydrophobicContact CG-CG2 4.4Å; L436-V440 WeakPolarHBondContact O-CB 3.46Å; L436-V440 VanDerWaalsContact O-CG2 3.28Å; L436-V440 WeakPolarHBondContact O-CG2 3.34Å; L436-V440 PolarHBondContact O-N 3.18Å |
| 437 | V | 94.6 | Very high | 93.7 | Very high | 17 Ų | 17 | 54 Ų | 54 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 177 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | I414 L415 L418 I433 S434 N441 | I414-V437 HydrophobicContact CG2-CG1 3.92Å; I414-V437 HydrophobicContact CG2-CG2 4.29Å; L415-V437 HydrophobicContact CD2-CB 4Å; L415-V437 HydrophobicContact CD2-CG1 4.35Å; L415-V437 HydrophobicContact CD2-CG2 3.82Å; L418-V437 HydrophobicContact CD1-CG2 3.81Å; I433-V437 WeakPolarHBondContact O-CG2 3.35Å; I433-V437 PolarHBondContact O-N 3.08Å; S434-V437 PolarHBondContact O-N 3.21Å; V437-N441 WeakPolarHBondContact CG1-ND2 3.07Å; V437-N441 WeakPolarHBondContact O-CB 3.5Å; V437-N441 PolarHBondContact O-N 3.41Å; V437-N441 PolarHBondContact O-ND2 3.42Å |
| 438 | C | 96.1 | Very high | 94 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 176.1 | -70.2 | 0 | 0 | 0 | 0 | 111.9 | W178 S434 G435 N441 C442 | W178-C438 HydrophobicContact CE3-CB 3.75Å; W178-C438 HydrophobicContact CZ3-CB 4.22Å; S434-C438 PolarHBondContact O-N 3.12Å; S434-C438 PolarHBondContact O-SG 3.32Å; S434-C438 VanDerWaalsContact O-SG 3.39Å; G435-C438 PolarHBondContact O-N 2.97Å; C438-N441 PolarHBondContact O-N 2.89Å; C438-C442 WeakPolarHBondContact O-CB 3.49Å; C438-C442 PolarHBondContact O-N 3.35Å |
| 439 | L | 96.3 | Very high | 94.2 | Very high | 115 Ų | 115 | 43.6 Ų | 43.6 | 60% | 0.602 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -65.5 | -43.9 | -179.9 | -176.4 | 129.3 | 0 | 0 | 0 | 112.1 | G435 L436 C442 A443 | G435-L439 VanDerWaalsContact O-CB 3.25Å; G435-L439 WeakPolarHBondContact O-CB 3.36Å; G435-L439 PolarHBondContact O-N 3.4Å; L436-L439 PolarHBondContact O-N 2.9Å; L439-C442 PolarHBondContact O-N 2.96Å; L439-A443 WeakPolarHBondContact O-CB 3.39Å; L439-A443 PolarHBondContact O-N 3.47Å |
| 440 | V | 96.1 | Very high | 94.3 | Very high | 56 Ų | 56 | 42.3 Ų | 42.3 | 34% | 0.339 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.1 | -47 | 176.8 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | F96 L436 C442 A443 I444 | F96-V440 HydrophobicContact CE2-CG1 4.15Å; F96-V440 HydrophobicContact CZ-CG1 4.08Å; L436-V440 HydrophobicContact CD1-CG2 4.17Å; L436-V440 HydrophobicContact CG-CG2 4.4Å; L436-V440 WeakPolarHBondContact O-CB 3.46Å; L436-V440 VanDerWaalsContact O-CG2 3.28Å; L436-V440 WeakPolarHBondContact O-CG2 3.34Å; L436-V440 PolarHBondContact O-N 3.18Å; V440-C442 VanDerWaalsContact C-N 3.31Å; V440-C442 PolarHBondContact O-N 3.48Å; V440-A443 PolarHBondContact O-N 3.39Å; V440-I444 HydrophobicContact CG1-CD1 3.82Å; V440-I444 WeakPolarHBondContact O-CG1 3.42Å; V440-I444 PolarHBondContact O-N 3.16Å; V440-I444 VanDerWaalsContact O-N 3.09Å |
| 441 | N | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.7 | -38 | 176.8 | -79.8 | -75.8 | 0 | 0 | 0 | 112.2 | F96 M100 W178 V437 C438 G445 | F96-N441 VanDerWaalsContact CD2-OD1 3.28Å; F96-N441 WeakPolarHBondContact CD2-OD1 3.1Å; F96-N441 VanDerWaalsContact CE2-OD1 3.22Å; F96-N441 WeakPolarHBondContact CE2-OD1 3.36Å; F96-N441 PolarHBondContact O-OD1 2.91Å; M100-N441 HydrophobicContact CG-CB 4.37Å; M100-N441 WeakPolarHBondContact CG-OD1 3.37Å; W178-N441 HydrophobicContact CH2-CB 3.3Å; W178-N441 HydrophobicContact CZ2-CB 3.25Å; W178-N441 HydrophobicContact CZ3-CB 4.02Å; V437-N441 WeakPolarHBondContact CG1-ND2 3.07Å; V437-N441 WeakPolarHBondContact O-CB 3.5Å; V437-N441 PolarHBondContact O-N 3.41Å; V437-N441 PolarHBondContact O-ND2 3.42Å; C438-N441 PolarHBondContact O-N 2.89Å; N441-G445 WeakPolarHBondContact O-CA 3.47Å; N441-G445 PolarHBondContact O-N 3.49Å |
| 442 | C | 96.4 | Very high | 94.8 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 7% | 0.068 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -47.4 | 175.6 | -170.9 | 0 | 0 | 0 | 0 | 111.4 | L175 W178 C438 L439 V440 I444 G445 M446 | L175-C442 VanDerWaalsContact CD2-SG 3.57Å; W178-C442 HydrophobicContact CB-CB 4.1Å; W178-C442 VanDerWaalsContact CD1-CB 3.42Å; W178-C442 VanDerWaalsContact CD1-SG 3.51Å; W178-C442 HydrophobicContact CD2-CB 4.28Å; W178-C442 HydrophobicContact CG-CB 3.65Å; C438-C442 WeakPolarHBondContact O-CB 3.49Å; C438-C442 PolarHBondContact O-N 3.35Å; L439-C442 PolarHBondContact O-N 2.96Å; V440-C442 VanDerWaalsContact C-N 3.31Å; V440-C442 PolarHBondContact O-N 3.48Å; C442-I444 PolarHBondContact O-N 3.44Å; C442-G445 PolarHBondContact O-N 3.42Å; C442-M446 WeakPolarHBondContact O-CG 3.36Å; C442-M446 PolarHBondContact O-N 3.04Å |
| 443 | A | 96.2 | Very high | 94.9 | Very high | 63 Ų | 63 | 33.3 Ų | 33.3 | 52% | 0.521 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.1 | -44.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L439 V440 M446 | L439-A443 WeakPolarHBondContact O-CB 3.39Å; L439-A443 PolarHBondContact O-N 3.47Å; V440-A443 PolarHBondContact O-N 3.39Å; A443-M446 WeakPolarHBondContact O-CB 3.44Å; A443-M446 WeakPolarHBondContact O-CG 3.45Å |
| 444 | I | 94.6 | Very high | 94.9 | Very high | 74 Ų | 74 | 33.4 Ų | 33.4 | 38% | 0.379 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -74.4 | -34.3 | 177.5 | -53.3 | 163.7 | 0 | 0 | 0 | 110.3 | F96 M100 V440 C442 M446 V447 | F96-I444 HydrophobicContact CE1-CD1 4.2Å; F96-I444 HydrophobicContact CZ-CD1 3.73Å; M100-I444 HydrophobicContact CE-CB 3.77Å; M100-I444 HydrophobicContact CE-CG2 3.2Å; M100-I444 HydrophobicContact SD-CB 4.47Å; M100-I444 HydrophobicContact SD-CG2 4.2Å; V440-I444 HydrophobicContact CG1-CD1 3.82Å; V440-I444 WeakPolarHBondContact O-CG1 3.42Å; V440-I444 PolarHBondContact O-N 3.16Å; V440-I444 VanDerWaalsContact O-N 3.09Å; C442-I444 PolarHBondContact O-N 3.44Å; I444-M446 PolarHBondContact O-N 3.37Å; I444-M446 VanDerWaalsContact O-N 3.13Å; I444-V447 WeakPolarHBondContact O-CB 3.49Å; I444-V447 WeakPolarHBondContact O-CG2 3.33Å; I444-V447 PolarHBondContact O-N 3.37Å; I444-V447 VanDerWaalsContact O-N 3.11Å |
| 445 | G | 94.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.2 | -20 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | L174 N441 C442 V447 F448 | L174-G445 WeakPolarHBondContact CD2-O 3.28Å; N441-G445 WeakPolarHBondContact O-CA 3.47Å; N441-G445 PolarHBondContact O-N 3.49Å; C442-G445 PolarHBondContact O-N 3.42Å; G445-V447 PolarHBondContact O-N 2.93Å; G445-V447 VanDerWaalsContact O-N 3.14Å; G445-F448 WeakPolarHBondContact O-CB 3.38Å; G445-F448 WeakPolarHBondContact O-CD2 2.97Å; G445-F448 PolarHBondContact O-N 2.91Å |
| 446 | M | 94.6 | Very high | 94.9 | Very high | 57 Ų | 57 | 33.5 Ų | 33.5 | 28% | 0.281 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -58.7 | -22.3 | 173 | -62.6 | -68.5 | -71.4 | 0 | 0 | 113.1 | V166 A171 L174 C442 A443 I444 F448 T449 | V166-M446 HydrophobicContact CG1-CE 4.09Å; A171-M446 HydrophobicContact CB-CE 3.67Å; A171-M446 HydrophobicContact CB-SD 4.12Å; L174-M446 HydrophobicContact CD2-SD 4.3Å; C442-M446 WeakPolarHBondContact O-CG 3.36Å; C442-M446 PolarHBondContact O-N 3.04Å; A443-M446 WeakPolarHBondContact O-CB 3.44Å; A443-M446 WeakPolarHBondContact O-CG 3.45Å; I444-M446 PolarHBondContact O-N 3.37Å; I444-M446 VanDerWaalsContact O-N 3.13Å; M446-F448 PolarHBondContact O-N 2.83Å; M446-T449 PolarHBondContact O-N 3.01Å; M446-T449 VanDerWaalsContact O-N 3.09Å; M446-T449 PolarHBondContact O-OG1 2.96Å |
| 447 | V | 94.2 | Very high | 94.8 | Very high | 61 Ų | 61 | 29.4 Ų | 29.4 | 37% | 0.37 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -59.5 | -33.3 | 174.1 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | I444 G445 T449 M450 W456 | I444-V447 WeakPolarHBondContact O-CB 3.49Å; I444-V447 WeakPolarHBondContact O-CG2 3.33Å; I444-V447 PolarHBondContact O-N 3.37Å; I444-V447 VanDerWaalsContact O-N 3.11Å; G445-V447 PolarHBondContact O-N 2.93Å; G445-V447 VanDerWaalsContact O-N 3.14Å; V447-T449 VanDerWaalsContact C-N 3.26Å; V447-T449 PolarHBondContact O-N 2.98Å; V447-M450 WeakPolarHBondContact O-CG 3.4Å; V447-M450 PolarHBondContact O-N 3.38Å; V447-W456 HydrophobicContact CG1-CG 4.24Å |
| 448 | F | 95.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -77.8 | -9.6 | 179.6 | -54.4 | -63.4 | 0 | 0 | 0 | 113.6 | M100 V104 G445 M446 G453 W456 F457 F460 | M100-F448 HydrophobicContact CB-CE2 4Å; M100-F448 HydrophobicContact CE-CE2 3.91Å; M100-F448 HydrophobicContact CE-CZ 4.26Å; V104-F448 HydrophobicContact CB-CB 4.4Å; V104-F448 HydrophobicContact CG1-CB 4Å; V104-F448 HydrophobicContact CG2-CB 3.59Å; V104-F448 HydrophobicContact CG2-CD2 3.53Å; V104-F448 HydrophobicContact CG2-CG 3.86Å; G445-F448 WeakPolarHBondContact O-CB 3.38Å; G445-F448 WeakPolarHBondContact O-CD2 2.97Å; G445-F448 PolarHBondContact O-N 2.91Å; M446-F448 PolarHBondContact O-N 2.83Å; F448-G453 WeakPolarHBondContact O-CA 3.37Å; F448-W456 HydrophobicContact CD1-CB 3.95Å; F448-W456 HydrophobicContact CE1-CB 4.01Å; F448-F457 HydrophobicContact CD1-CB 4.01Å; F448-F460 HydrophobicContact CE1-CB 4.4Å; F448-F460 AromaticContact CE1-CD2 3.87Å; F448-F460 HydrophobicContact CE1-CD2 3.87Å; F448-F460 HydrophobicContact CE1-CE2 4.28Å; F448-F460 HydrophobicContact CE1-CG 4.07Å; F448-F460 HydrophobicContact CZ-CB 4.37Å; F448-F460 AromaticContact CZ-CD1 3.99Å; F448-F460 HydrophobicContact CZ-CD1 3.99Å; F448-F460 AromaticContact CZ-CD2 3.95Å; F448-F460 HydrophobicContact CZ-CD2 3.95Å; F448-F460 HydrophobicContact CZ-CE1 4.23Å; F448-F460 HydrophobicContact CZ-CE2 4.18Å; F448-F460 AromaticContact CZ-CG 3.84Å; F448-F460 HydrophobicContact CZ-CG 3.84Å; F448-F460 HydrophobicContact CZ-CZ 4.32Å |
| 449 | T | 95 | Very high | 94.5 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -97.5 | 7.3 | 176.3 | 68.8 | 0 | 0 | 0 | 0 | 112.5 | Q167 P170 A171 L174 M446 V447 | Q167-T449 WeakPolarHBondContact CB-O 3.36Å; Q167-T449 PolarHBondContact N-O 3.24Å; P170-T449 HydrophobicContact CB-CG2 4.4Å; A171-T449 HydrophobicContact CB-CG2 4.45Å; L174-T449 HydrophobicContact CB-CG2 4.41Å; L174-T449 HydrophobicContact CD2-CG2 3.91Å; M446-T449 PolarHBondContact O-N 3.01Å; M446-T449 VanDerWaalsContact O-N 3.09Å; M446-T449 PolarHBondContact O-OG1 2.96Å; V447-T449 VanDerWaalsContact C-N 3.26Å; V447-T449 PolarHBondContact O-N 2.98Å |
| 450 | M | 94.8 | Very high | 94.3 | Very high | 50 Ų | 50 | 26 Ų | 26 | 25% | 0.246 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -76.9 | 165.6 | 169.6 | -57.4 | -179.2 | 82.3 | 0 | 0 | 110.7 | G165 V166 V447 A452 G453 | G165-M450 WeakPolarHBondContact O-CA 3.17Å; V166-M450 HydrophobicContact CG2-CG 4.14Å; V447-M450 WeakPolarHBondContact O-CG 3.4Å; V447-M450 PolarHBondContact O-N 3.38Å; M450-A452 VanDerWaalsContact C-N 3.26Å; M450-A452 PolarHBondContact O-N 3.49Å; M450-G453 VanDerWaalsContact O-CA 3.28Å; M450-G453 WeakPolarHBondContact O-CA 3.19Å; M450-G453 PolarHBondContact O-N 3.24Å |
| 451 | E | 94.6 | Very high | 94 | Very high | 52 Ų | 52 | 24.8 Ų | 24.8 | 24% | 0.243 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -35.5 | 176.4 | -62.9 | -178.4 | -172.5 | 0 | 0 | 113 | N155 I156 S157 G164 G165 Q167 G453 | N155-E451 PolarHBondContact ND2-OE1 3.48Å; N155-E451 VanDerWaalsContact O-CB 3.32Å; N155-E451 WeakPolarHBondContact O-CB 3.18Å; N155-E451 VanDerWaalsContact O-CG 3.24Å; N155-E451 WeakPolarHBondContact O-CG 3.47Å; I156-E451 WeakPolarHBondContact CA-O 3.38Å; S157-E451 PolarHBondContact N-O 2.85Å; S157-E451 VanDerWaalsContact N-O 3.13Å; G164-E451 WeakPolarHBondContact CA-OE2 3.45Å; G165-E451 PolarHBondContact O-N 3.08Å; Q167-E451 PolarHBondContact NE2-OE1 3.3Å; E451-G453 PolarHBondContact O-N 3.05Å |
| 452 | A | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 2.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | M450 N454 Y455 W456 | M450-A452 VanDerWaalsContact C-N 3.26Å; M450-A452 PolarHBondContact O-N 3.49Å; A452-N454 PolarHBondContact O-N 2.98Å; A452-Y455 HydrophobicContact CB-CD2 4.24Å; A452-Y455 WeakPolarHBondContact O-CB 3.2Å; A452-Y455 PolarHBondContact O-N 3.22Å; A452-Y455 VanDerWaalsContact O-N 3.14Å; A452-W456 PolarHBondContact O-N 2.88Å |
| 453 | G | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.9 | -34.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114 | F448 M450 E451 Y455 W456 F457 | F448-G453 WeakPolarHBondContact O-CA 3.37Å; M450-G453 VanDerWaalsContact O-CA 3.28Å; M450-G453 WeakPolarHBondContact O-CA 3.19Å; M450-G453 PolarHBondContact O-N 3.24Å; E451-G453 PolarHBondContact O-N 3.05Å; G453-Y455 VanDerWaalsContact C-N 3.31Å; G453-Y455 PolarHBondContact O-N 2.87Å; G453-W456 PolarHBondContact O-N 2.84Å; G453-F457 WeakPolarHBondContact O-CB 3.46Å; G453-F457 PolarHBondContact O-N 2.86Å |
| 454 | N | 92.8 | Very high | 92.7 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 5% | 0.048 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.7 | -36.2 | 175.5 | -172.1 | 85.3 | 0 | 0 | 0 | 112 | L154 I156 A452 F457 D458 | L154-N454 HydrophobicContact CD1-CB 3.88Å; L154-N454 HydrophobicContact CD2-CB 4.49Å; I156-N454 HydrophobicContact CD1-CB 4.15Å; A452-N454 PolarHBondContact O-N 2.98Å; N454-F457 WeakPolarHBondContact O-CB 3.46Å; N454-F457 PolarHBondContact O-N 3.32Å; N454-D458 PolarHBondContact ND2-OD2 3.3Å; N454-D458 PolarHBondContact O-N 3.45Å |
| 455 | Y | 93.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.3 | -37.8 | 176.8 | -54.1 | -48.7 | 0 | 0 | 0 | 112 | I156 S157 L160 A452 G453 F457 D458 I459 Y536 Q537 A538 W539 | I156-Y455 HydrophobicContact CD1-CE1 3.71Å; I156-Y455 HydrophobicContact CD1-CE2 4.26Å; I156-Y455 WeakPolarHBondContact CD1-OH 3.45Å; I156-Y455 HydrophobicContact CG1-CE1 4.38Å; I156-Y455 HydrophobicContact CG1-CE2 4.03Å; S157-Y455 WeakPolarHBondContact O-CE2 3.35Å; S157-Y455 PolarHBondContact O-OH 3.03Å; L160-Y455 HydrophobicContact CB-CD2 4.36Å; L160-Y455 HydrophobicContact CD1-CD2 4.36Å; L160-Y455 HydrophobicContact CD1-CG 4.4Å; A452-Y455 HydrophobicContact CB-CD2 4.24Å; A452-Y455 WeakPolarHBondContact O-CB 3.2Å; A452-Y455 PolarHBondContact O-N 3.22Å; A452-Y455 VanDerWaalsContact O-N 3.14Å; G453-Y455 VanDerWaalsContact C-N 3.31Å; G453-Y455 PolarHBondContact O-N 2.87Å; Y455-F457 VanDerWaalsContact C-N 3.34Å; Y455-D458 PolarHBondContact O-N 3.41Å; Y455-I459 WeakPolarHBondContact O-CG1 3.25Å; Y455-I459 PolarHBondContact O-N 3.49Å; Y455-I459 VanDerWaalsContact O-N 3.12Å; Y455-Y536 AromaticContact CD1-CD2 3.86Å; Y455-Y536 HydrophobicContact CD1-CD2 3.86Å; Y455-Y536 AromaticContact CD1-CE2 3.89Å; Y455-Y536 HydrophobicContact CD1-CE2 3.89Å; Y455-Y536 HydrophobicContact CE1-CD2 4.28Å; Y455-Y536 HydrophobicContact CE1-CE2 4.07Å; Y455-Y536 HydrophobicContact CG-CD2 4.33Å; Y455-Y536 HydrophobicContact CG-CE2 4.13Å; Y455-Q537 VanDerWaalsContact CE1-O 3.26Å; Y455-Q537 WeakPolarHBondContact CE1-O 3.46Å; Y455-A538 HydrophobicContact CE1-CB 4.34Å; Y455-W539 PolarHBondContact OH-N 3.27Å; Y455-W539 VanDerWaalsContact OH-N 3.08Å |
| 456 | W | 94.2 | Very high | 91.8 | Very high | 30 Ų | 30 | 22.4 Ų | 22.4 | 11% | 0.114 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.2 | -39.3 | 171.2 | -71.4 | 114 | 0 | 0 | 0 | 111.9 | L160 V447 F448 A452 G453 D458 I459 F460 Y554 V558 | L160-W456 HydrophobicContact CD1-CD2 4.1Å; L160-W456 HydrophobicContact CD1-CG 4.31Å; L160-W456 HydrophobicContact CD1-CZ2 4.2Å; V447-W456 HydrophobicContact CG1-CG 4.24Å; F448-W456 HydrophobicContact CD1-CB 3.95Å; F448-W456 HydrophobicContact CE1-CB 4.01Å; A452-W456 PolarHBondContact O-N 2.88Å; G453-W456 PolarHBondContact O-N 2.84Å; W456-D458 VanDerWaalsContact C-N 3.34Å; W456-D458 PolarHBondContact O-N 2.87Å; W456-I459 HydrophobicContact CE3-CD1 3.76Å; W456-I459 HydrophobicContact CZ3-CD1 3.94Å; W456-I459 PolarHBondContact O-N 2.91Å; W456-F460 VanDerWaalsContact O-CD2 3.31Å; W456-F460 WeakPolarHBondContact O-CD2 3.34Å; W456-F460 PolarHBondContact O-N 3.44Å; W456-Y554 HydrophobicContact CH2-CD2 4.05Å; W456-Y554 AromaticContact CH2-CE2 3.87Å; W456-Y554 HydrophobicContact CH2-CE2 3.87Å; W456-Y554 HydrophobicContact CZ2-CD2 4.41Å; W456-Y554 AromaticContact CZ2-CE2 3.86Å; W456-Y554 HydrophobicContact CZ2-CE2 3.86Å; W456-V558 HydrophobicContact CH2-CG2 4.18Å; W456-V558 HydrophobicContact CZ3-CB 4.1Å; W456-V558 HydrophobicContact CZ3-CG1 3.89Å; W456-V558 HydrophobicContact CZ3-CG2 4.11Å |
| 457 | F | 93.9 | Very high | 91.4 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 2% | 0.022 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.2 | -47 | 174.5 | 172 | -82.4 | 0 | 0 | 0 | 110.9 | Y101 V104 I105 W108 T371 F448 G453 N454 Y455 I459 F460 N461 | Y101-F457 HydrophobicContact CD2-CD2 4.2Å; Y101-F457 AromaticContact CD2-CE2 3.66Å; Y101-F457 HydrophobicContact CD2-CE2 3.66Å; Y101-F457 HydrophobicContact CD2-CZ 4Å; Y101-F457 HydrophobicContact CG-CE2 4.34Å; Y101-F457 WeakPolarHBondContact O-CE2 3.21Å; V104-F457 HydrophobicContact CB-CD2 4.43Å; V104-F457 HydrophobicContact CG1-CD2 4.46Å; I105-F457 HydrophobicContact CD1-CE2 3.94Å; I105-F457 HydrophobicContact CD1-CZ 3.65Å; I105-F457 HydrophobicContact CG1-CE2 3.56Å; I105-F457 HydrophobicContact CG1-CZ 3.7Å; W108-F457 HydrophobicContact CH2-CB 4.32Å; W108-F457 HydrophobicContact CH2-CD1 4.08Å; W108-F457 AromaticContact CH2-CD2 3.7Å; W108-F457 HydrophobicContact CH2-CD2 3.7Å; W108-F457 HydrophobicContact CH2-CE1 4.36Å; W108-F457 AromaticContact CH2-CE2 3.98Å; W108-F457 HydrophobicContact CH2-CE2 3.98Å; W108-F457 AromaticContact CH2-CG 3.77Å; W108-F457 HydrophobicContact CH2-CG 3.77Å; W108-F457 HydrophobicContact CH2-CZ 4.32Å; W108-F457 HydrophobicContact CZ3-CD1 4.39Å; W108-F457 AromaticContact CZ3-CD2 4Å; W108-F457 HydrophobicContact CZ3-CD2 4Å; W108-F457 HydrophobicContact CZ3-CE1 4.22Å; W108-F457 AromaticContact CZ3-CE2 3.76Å; W108-F457 HydrophobicContact CZ3-CE2 3.76Å; W108-F457 HydrophobicContact CZ3-CG 4.32Å; W108-F457 AromaticContact CZ3-CZ 3.9Å; W108-F457 HydrophobicContact CZ3-CZ 3.9Å; T371-F457 HydrophobicContact CG2-CD1 4.49Å; T371-F457 HydrophobicContact CG2-CE1 3.73Å; T371-F457 HydrophobicContact CG2-CZ 4.04Å; F448-F457 HydrophobicContact CD1-CB 4.01Å; G453-F457 WeakPolarHBondContact O-CB 3.46Å; G453-F457 PolarHBondContact O-N 2.86Å; N454-F457 WeakPolarHBondContact O-CB 3.46Å; N454-F457 PolarHBondContact O-N 3.32Å; Y455-F457 VanDerWaalsContact C-N 3.34Å; F457-I459 PolarHBondContact O-N 3.26Å; F457-F460 PolarHBondContact O-N 3.01Å; F457-N461 HydrophobicContact CE1-CB 4.29Å; F457-N461 WeakPolarHBondContact O-CB 3.45Å; F457-N461 PolarHBondContact O-N 3.4Å |
| 458 | D | 91.1 | Very high | 91.2 | Very high | 39 Ų | 39 | 18.2 Ų | 18.2 | 21% | 0.209 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 178.8 | -67 | -25.1 | 0 | 0 | 0 | 111.6 | N454 Y455 W456 F460 N461 D462 | N454-D458 PolarHBondContact ND2-OD2 3.3Å; N454-D458 PolarHBondContact O-N 3.45Å; Y455-D458 PolarHBondContact O-N 3.41Å; W456-D458 VanDerWaalsContact C-N 3.34Å; W456-D458 PolarHBondContact O-N 2.87Å; D458-F460 VanDerWaalsContact C-N 3.34Å; D458-F460 PolarHBondContact O-N 3.41Å; D458-N461 PolarHBondContact O-N 3.14Å; D458-D462 WeakPolarHBondContact O-CB 3.3Å; D458-D462 PolarHBondContact O-N 2.89Å |
| 459 | I | 92.4 | Very high | 91 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -56.4 | -47.8 | 173.8 | -72.4 | 167.8 | 0 | 0 | 0 | 111.1 | L160 Y455 W456 F457 Y463 Y551 A555 I559 | L160-I459 HydrophobicContact CD2-CD1 4.1Å; Y455-I459 WeakPolarHBondContact O-CG1 3.25Å; Y455-I459 PolarHBondContact O-N 3.49Å; Y455-I459 VanDerWaalsContact O-N 3.12Å; W456-I459 HydrophobicContact CE3-CD1 3.76Å; W456-I459 HydrophobicContact CZ3-CD1 3.94Å; W456-I459 PolarHBondContact O-N 2.91Å; F457-I459 PolarHBondContact O-N 3.26Å; I459-Y463 HydrophobicContact CG2-CD2 4.42Å; I459-Y463 WeakPolarHBondContact O-CB 3.48Å; I459-Y463 VanDerWaalsContact O-CD2 3.31Å; I459-Y463 WeakPolarHBondContact O-CD2 3.35Å; I459-Y463 PolarHBondContact O-N 3.44Å; I459-Y463 VanDerWaalsContact O-N 3.1Å; I459-Y551 HydrophobicContact CD1-CD1 4.19Å; I459-Y551 HydrophobicContact CD1-CE1 3.61Å; I459-Y551 HydrophobicContact CG1-CD1 4.45Å; I459-Y551 HydrophobicContact CG1-CE1 3.49Å; I459-Y551 VanDerWaalsContact CG1-CE1 3.49Å; I459-A555 HydrophobicContact CD1-CB 4.2Å; I459-I559 HydrophobicContact CG2-CD1 4.42Å; I459-I559 HydrophobicContact CG2-CG1 3.67Å |
| 460 | F | 92.8 | Very high | 90.8 | Very high | 28 Ų | 28 | 18 Ų | 18 | 12% | 0.123 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.4 | -41.9 | -179.9 | -86.8 | -112.7 | 0 | 0 | 0 | 111.6 | F97 M100 Y101 F448 W456 F457 D458 D462 A464 L562 | F97-F460 HydrophobicContact CB-CD1 4.32Å; F97-F460 HydrophobicContact CB-CE1 4.5Å; F97-F460 HydrophobicContact CD1-CE1 4.09Å; F97-F460 HydrophobicContact CG-CE1 4.43Å; M100-F460 HydrophobicContact CE-CE1 4.31Å; Y101-F460 HydrophobicContact CD1-CB 3.93Å; Y101-F460 HydrophobicContact CE1-CB 4.5Å; Y101-F460 HydrophobicContact CG-CB 4.3Å; F448-F460 HydrophobicContact CE1-CB 4.4Å; F448-F460 AromaticContact CE1-CD2 3.87Å; F448-F460 HydrophobicContact CE1-CD2 3.87Å; F448-F460 HydrophobicContact CE1-CE2 4.28Å; F448-F460 HydrophobicContact CE1-CG 4.07Å; F448-F460 HydrophobicContact CZ-CB 4.37Å; F448-F460 AromaticContact CZ-CD1 3.99Å; F448-F460 HydrophobicContact CZ-CD1 3.99Å; F448-F460 AromaticContact CZ-CD2 3.95Å; F448-F460 HydrophobicContact CZ-CD2 3.95Å; F448-F460 HydrophobicContact CZ-CE1 4.23Å; F448-F460 HydrophobicContact CZ-CE2 4.18Å; F448-F460 AromaticContact CZ-CG 3.84Å; F448-F460 HydrophobicContact CZ-CG 3.84Å; F448-F460 HydrophobicContact CZ-CZ 4.32Å; W456-F460 VanDerWaalsContact O-CD2 3.31Å; W456-F460 WeakPolarHBondContact O-CD2 3.34Å; W456-F460 PolarHBondContact O-N 3.44Å; F457-F460 PolarHBondContact O-N 3.01Å; D458-F460 VanDerWaalsContact C-N 3.34Å; D458-F460 PolarHBondContact O-N 3.41Å; F460-D462 PolarHBondContact O-N 3.41Å; F460-A464 WeakPolarHBondContact O-CB 3.35Å; F460-A464 PolarHBondContact O-N 3.44Å; F460-L562 HydrophobicContact CD1-CD1 3.72Å; F460-L562 HydrophobicContact CD2-CD1 4.21Å; F460-L562 HydrophobicContact CE1-CD1 3.49Å; F460-L562 VanDerWaalsContact CE1-CD1 3.49Å; F460-L562 HydrophobicContact CE2-CD1 4.02Å; F460-L562 HydrophobicContact CG-CD1 4.09Å; F460-L562 HydrophobicContact CZ-CD1 3.65Å |
| 461 | N | 88.6 | Confident | 90.7 | Very high | 31 Ų | 31 | 17.5 Ų | 17.5 | 17% | 0.166 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.6 | -42.8 | 179.7 | 178.9 | 76.5 | 0 | 0 | 0 | 112.3 | Y101 F457 D458 | Y101-N461 HydrophobicContact CD2-CB 4.33Å; Y101-N461 HydrophobicContact CE2-CB 3.89Å; F457-N461 HydrophobicContact CE1-CB 4.29Å; F457-N461 WeakPolarHBondContact O-CB 3.45Å; F457-N461 PolarHBondContact O-N 3.4Å; D458-N461 PolarHBondContact O-N 3.14Å |
| 462 | D | 85.1 | Confident | 90.7 | Very high | 55 Ų | 55 | 15 Ų | 15 | 29% | 0.294 | 8% | 0.075 | S | C | . | . | H | α-helix | trans | -84.2 | -37.7 | -172.7 | -68.2 | -8.1 | 0 | 0 | 0 | 112.4 | D458 F460 T466 | D458-D462 WeakPolarHBondContact O-CB 3.3Å; D458-D462 PolarHBondContact O-N 2.89Å; F460-D462 PolarHBondContact O-N 3.41Å; D462-T466 PolarHBondContact O-OG1 2.9Å; D462-T466 VanDerWaalsContact O-OG1 3.1Å |
| 463 | Y | 87.3 | Confident | 90.8 | Very high | 30 Ų | 30 | 15.1 Ų | 15.1 | 12% | 0.118 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -110.4 | -20.4 | -168.9 | -55.6 | -73.4 | 0 | 0 | 0 | 115.4 | I459 A465 L534 Y551 I559 | I459-Y463 HydrophobicContact CG2-CD2 4.42Å; I459-Y463 WeakPolarHBondContact O-CB 3.48Å; I459-Y463 VanDerWaalsContact O-CD2 3.31Å; I459-Y463 WeakPolarHBondContact O-CD2 3.35Å; I459-Y463 PolarHBondContact O-N 3.44Å; I459-Y463 VanDerWaalsContact O-N 3.1Å; Y463-A465 PolarHBondContact O-N 3.31Å; Y463-L534 HydrophobicContact CE1-CD1 4.13Å; Y463-L534 HydrophobicContact CE1-CD2 4.31Å; Y463-Y551 HydrophobicContact CE2-CE2 4.32Å; Y463-I559 HydrophobicContact CD1-CG2 4.11Å; Y463-I559 HydrophobicContact CD2-CD1 3.96Å; Y463-I559 HydrophobicContact CD2-CG1 3.95Å; Y463-I559 HydrophobicContact CD2-CG2 4.3Å; Y463-I559 HydrophobicContact CE2-CD1 3.9Å; Y463-I559 HydrophobicContact CE2-CG1 4.42Å; Y463-I559 HydrophobicContact CG-CG1 4.36Å; Y463-I559 HydrophobicContact CG-CG2 3.89Å |
| 464 | A | 88.1 | Confident | 90.8 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.008 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -69.1 | -34.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F97 F460 L562 | F97-A464 HydrophobicContact CB-CB 4.05Å; F97-A464 HydrophobicContact CD2-CB 4.27Å; F460-A464 WeakPolarHBondContact O-CB 3.35Å; F460-A464 PolarHBondContact O-N 3.44Å; A464-L562 HydrophobicContact CB-CD1 4.01Å; A464-L562 HydrophobicContact CB-CD2 3.64Å; A464-L562 HydrophobicContact CB-CG 3.96Å; A464-L562 VanDerWaalsContact N-CD2 3.35Å |
| 465 | A | 85.4 | Confident | 90.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -117.6 | -33.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V94 L98 F250 F256 Y463 L467 S468 L469 | V94-A465 HydrophobicContact CG1-CB 3.85Å; L98-A465 HydrophobicContact CD1-CB 4.1Å; F250-A465 HydrophobicContact CE1-CB 3.59Å; F250-A465 HydrophobicContact CZ-CB 3.58Å; F256-A465 HydrophobicContact CE1-CB 4.29Å; Y463-A465 PolarHBondContact O-N 3.31Å; A465-L467 PolarHBondContact O-N 2.59Å; A465-S468 PolarHBondContact O-N 3.38Å; A465-L469 HydrophobicContact CB-CD1 4.03Å; A465-L469 HydrophobicContact CB-CG 4.29Å; A465-L469 VanDerWaalsContact O-CB 3.23Å; A465-L469 WeakPolarHBondContact O-CB 3.44Å; A465-L469 WeakPolarHBondContact O-CG 3.45Å; A465-L469 PolarHBondContact O-N 2.97Å |
| 466 | T | 85.1 | Confident | 91 | Very high | 12 Ų | 12 | 17 Ų | 17 | 7% | 0.074 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -54.3 | -59.5 | -168.6 | -53.6 | 0 | 0 | 0 | 0 | 113.6 | T246 D462 L470 Y524 | T246-T466 HydrophobicContact CG2-CG2 3.81Å; D462-T466 PolarHBondContact O-OG1 2.9Å; D462-T466 VanDerWaalsContact O-OG1 3.1Å; T466-L470 WeakPolarHBondContact O-CG 3.32Å; T466-L470 PolarHBondContact O-N 3.27Å; T466-Y524 HydrophobicContact CG2-CD2 4.21Å; T466-Y524 HydrophobicContact CG2-CE2 3.54Å |
| 467 | L | 87.5 | Confident | 91 | Very high | 29 Ų | 29 | 15.6 Ų | 15.6 | 15% | 0.152 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67.8 | -40.9 | -179.7 | -176 | 64.6 | 0 | 0 | 0 | 112 | A465 L469 L470 L471 F521 Y524 V563 | A465-L467 PolarHBondContact O-N 2.59Å; L467-L469 VanDerWaalsContact C-N 3.32Å; L467-L469 PolarHBondContact O-N 3.44Å; L467-L470 PolarHBondContact O-N 3.29Å; L467-L471 PolarHBondContact O-N 2.9Å; L467-F521 HydrophobicContact CD1-CD2 3.91Å; L467-F521 HydrophobicContact CD1-CE2 3.47Å; L467-F521 VanDerWaalsContact CD1-CE2 3.47Å; L467-F521 HydrophobicContact CD1-CZ 4.17Å; L467-F521 HydrophobicContact CG-CE2 4.3Å; L467-Y524 HydrophobicContact CB-CE1 3.97Å; L467-Y524 HydrophobicContact CD1-CD1 3.72Å; L467-Y524 HydrophobicContact CD1-CE1 3.95Å; L467-Y524 HydrophobicContact CG-CE1 4.41Å; L467-V563 HydrophobicContact CD2-CG1 3.63Å |
| 468 | S | 90.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.5 | -39.2 | -177.4 | -53.5 | 0 | 0 | 0 | 0 | 111.9 | A465 L471 I472 S566 | A465-S468 PolarHBondContact O-N 3.38Å; S468-L471 PolarHBondContact O-N 3.43Å; S468-I472 WeakPolarHBondContact O-CB 3.38Å; S468-I472 WeakPolarHBondContact O-CD1 3.29Å; S468-I472 WeakPolarHBondContact O-CG1 3.18Å; S468-I472 PolarHBondContact O-N 3.42Å; S468-S566 WeakPolarHBondContact CB-OG 3.39Å; S468-S566 PolarHBondContact OG-OG 2.68Å |
| 469 | L | 90.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.016 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.2 | -46.8 | 176.3 | -77.4 | 175.5 | 0 | 0 | 0 | 112.4 | V94 F250 L254 F256 A465 L467 L471 I472 V473 | V94-L469 HydrophobicContact CG1-CD2 4.49Å; F250-L469 HydrophobicContact CD1-CD1 4.23Å; F250-L469 HydrophobicContact CD2-CD1 4.35Å; F250-L469 HydrophobicContact CE1-CD1 3.93Å; F250-L469 HydrophobicContact CE2-CD1 4.06Å; F250-L469 HydrophobicContact CG-CD1 4.44Å; F250-L469 HydrophobicContact CZ-CD1 3.84Å; L254-L469 WeakPolarHBondContact O-CD2 3.4Å; F256-L469 HydrophobicContact CD1-CD2 3.59Å; F256-L469 HydrophobicContact CD1-CG 4.5Å; F256-L469 HydrophobicContact CE1-CD1 3.58Å; F256-L469 HydrophobicContact CE1-CD2 3.28Å; F256-L469 HydrophobicContact CE1-CG 3.74Å; F256-L469 HydrophobicContact CE2-CD1 4.25Å; F256-L469 HydrophobicContact CE2-CD2 4.39Å; F256-L469 HydrophobicContact CG-CD2 4.24Å; F256-L469 HydrophobicContact CZ-CD1 3.37Å; F256-L469 HydrophobicContact CZ-CD2 3.79Å; F256-L469 HydrophobicContact CZ-CG 4.05Å; A465-L469 HydrophobicContact CB-CD1 4.03Å; A465-L469 HydrophobicContact CB-CG 4.29Å; A465-L469 VanDerWaalsContact O-CB 3.23Å; A465-L469 WeakPolarHBondContact O-CB 3.44Å; A465-L469 WeakPolarHBondContact O-CG 3.45Å; A465-L469 PolarHBondContact O-N 2.97Å; L467-L469 VanDerWaalsContact C-N 3.32Å; L467-L469 PolarHBondContact O-N 3.44Å; L469-L471 PolarHBondContact O-N 3.28Å; L469-I472 PolarHBondContact O-N 3.46Å; L469-V473 WeakPolarHBondContact O-CB 3.4Å; L469-V473 VanDerWaalsContact O-CG2 3.27Å; L469-V473 WeakPolarHBondContact O-CG2 3.21Å; L469-V473 PolarHBondContact O-N 2.96Å |
| 470 | L | 90.9 | Very high | 91.4 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.2 | -43.9 | 177.1 | -65.5 | 180 | 0 | 0 | 0 | 110.6 | F249 T466 L467 L474 I517 F521 Y524 | F249-L470 HydrophobicContact CD2-CD2 3.8Å; F249-L470 HydrophobicContact CE2-CD2 3.52Å; T466-L470 WeakPolarHBondContact O-CG 3.32Å; T466-L470 PolarHBondContact O-N 3.27Å; L467-L470 PolarHBondContact O-N 3.29Å; L470-L474 VanDerWaalsContact O-CB 3.24Å; L470-L474 WeakPolarHBondContact O-CB 3.35Å; L470-L474 PolarHBondContact O-N 2.97Å; L470-L474 VanDerWaalsContact O-N 3.11Å; L470-I517 WeakPolarHBondContact O-CG2 3.24Å; L470-F521 HydrophobicContact CB-CD2 4.06Å; L470-Y524 HydrophobicContact CD1-CG 4.46Å |
| 471 | L | 93 | Very high | 91.4 | Very high | 39 Ų | 39 | 16 Ų | 16 | 20% | 0.204 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.1 | -46.6 | 177.7 | -177.4 | 64.5 | 0 | 0 | 0 | 112.5 | L467 S468 L469 L474 V475 F521 T567 I570 | L467-L471 PolarHBondContact O-N 2.9Å; S468-L471 PolarHBondContact O-N 3.43Å; L469-L471 PolarHBondContact O-N 3.28Å; L471-L474 PolarHBondContact O-N 3.01Å; L471-V475 HydrophobicContact CD1-CG2 4.25Å; L471-V475 VanDerWaalsContact O-CG2 3.31Å; L471-V475 WeakPolarHBondContact O-CG2 3.48Å; L471-V475 PolarHBondContact O-N 3.04Å; L471-F521 HydrophobicContact CB-CE2 4.27Å; L471-T567 HydrophobicContact CD2-CG2 3.79Å; L471-I570 HydrophobicContact CD2-CD1 4.22Å; L471-I570 HydrophobicContact CG-CD1 4.13Å |
| 472 | I | 94.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.1 | -55.2 | -179.9 | -71.4 | 162.5 | 0 | 0 | 0 | 109.4 | V87 A90 V94 G255 S468 L469 L474 V475 E476 I570 | V87-I472 HydrophobicContact CG1-CG2 4.09Å; A90-I472 HydrophobicContact CB-CD1 3.79Å; A90-I472 HydrophobicContact CB-CG1 3.87Å; V94-I472 HydrophobicContact CG2-CD1 3.94Å; G255-I472 WeakPolarHBondContact O-CG2 3.36Å; S468-I472 WeakPolarHBondContact O-CB 3.38Å; S468-I472 WeakPolarHBondContact O-CD1 3.29Å; S468-I472 WeakPolarHBondContact O-CG1 3.18Å; S468-I472 PolarHBondContact O-N 3.42Å; L469-I472 PolarHBondContact O-N 3.46Å; I472-L474 VanDerWaalsContact C-N 3.28Å; I472-L474 PolarHBondContact O-N 3.39Å; I472-V475 PolarHBondContact O-N 3.48Å; I472-E476 HydrophobicContact CG2-CG 4.08Å; I472-E476 VanDerWaalsContact O-CG 3.28Å; I472-E476 WeakPolarHBondContact O-CG 3.38Å; I472-E476 PolarHBondContact O-N 2.94Å; I472-I570 HydrophobicContact CG1-CD1 4.33Å |
| 473 | V | 94.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.4 | -36.6 | -177.4 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | L58 L254 L469 T477 I517 | L58-V473 HydrophobicContact CD1-CG1 3.69Å; L58-V473 HydrophobicContact CD2-CG1 3.99Å; L58-V473 HydrophobicContact CG-CG1 4.34Å; L254-V473 HydrophobicContact CB-CG2 4.22Å; L469-V473 WeakPolarHBondContact O-CB 3.4Å; L469-V473 VanDerWaalsContact O-CG2 3.27Å; L469-V473 WeakPolarHBondContact O-CG2 3.21Å; L469-V473 PolarHBondContact O-N 2.96Å; V473-T477 WeakPolarHBondContact O-CB 3.34Å; V473-T477 PolarHBondContact O-N 3.41Å; V473-T477 PolarHBondContact O-OG1 2.81Å; V473-I517 HydrophobicContact CG1-CD1 3.85Å |
| 474 | L | 94.7 | Very high | 92.5 | Very high | 20 Ų | 20 | 22.7 Ų | 22.7 | 11% | 0.105 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.9 | -51.4 | 172.5 | 179.3 | 58.3 | 0 | 0 | 0 | 111.4 | L470 L471 I472 E476 T477 I478 I517 V518 | L470-L474 VanDerWaalsContact O-CB 3.24Å; L470-L474 WeakPolarHBondContact O-CB 3.35Å; L470-L474 PolarHBondContact O-N 2.97Å; L470-L474 VanDerWaalsContact O-N 3.11Å; L471-L474 PolarHBondContact O-N 3.01Å; I472-L474 VanDerWaalsContact C-N 3.28Å; I472-L474 PolarHBondContact O-N 3.39Å; L474-E476 PolarHBondContact O-N 3.25Å; L474-T477 PolarHBondContact O-N 2.93Å; L474-I478 HydrophobicContact CD1-CD1 3.79Å; L474-I478 HydrophobicContact CD1-CG1 4.28Å; L474-I478 HydrophobicContact CG-CD1 3.89Å; L474-I478 VanDerWaalsContact O-CG1 3.3Å; L474-I478 WeakPolarHBondContact O-CG1 3.41Å; L474-I478 PolarHBondContact O-N 2.87Å; L474-I517 HydrophobicContact CB-CG2 3.74Å; L474-I517 HydrophobicContact CD1-CB 4.37Å; L474-I517 HydrophobicContact CD1-CG2 4.26Å; L474-I517 HydrophobicContact CG-CG2 4.46Å; L474-V518 HydrophobicContact CD1-CG2 3.69Å; L474-V518 HydrophobicContact CD2-CG2 3.92Å; L474-V518 HydrophobicContact CG-CG2 4.48Å |
| 475 | V | 95.7 | Very high | 92.8 | Very high | 28 Ų | 28 | 23.7 Ų | 23.7 | 17% | 0.17 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.1 | -37.2 | -178.3 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | L84 V87 L471 I472 I478 A479 I570 | L84-V475 HydrophobicContact CD2-CG1 4.16Å; V87-V475 HydrophobicContact CG2-CB 4.31Å; V87-V475 HydrophobicContact CG2-CG1 3.51Å; L471-V475 HydrophobicContact CD1-CG2 4.25Å; L471-V475 VanDerWaalsContact O-CG2 3.31Å; L471-V475 WeakPolarHBondContact O-CG2 3.48Å; L471-V475 PolarHBondContact O-N 3.04Å; I472-V475 PolarHBondContact O-N 3.48Å; V475-I478 PolarHBondContact O-N 3.49Å; V475-A479 WeakPolarHBondContact O-CB 3.47Å; V475-A479 PolarHBondContact O-N 2.85Å; V475-I570 HydrophobicContact CB-CD1 4.46Å; V475-I570 HydrophobicContact CG1-CG2 4.23Å; V475-I570 HydrophobicContact CG2-CD1 4.22Å; V475-I570 HydrophobicContact CG2-CG2 4.46Å |
| 476 | E | 95.4 | Very high | 93.2 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 1% | 0.014 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.9 | -46.4 | 173.9 | -71.3 | -170.6 | 155.6 | 0 | 0 | 111.7 | W77 V87 I472 L474 A479 V480 | W77-E476 HydrophobicContact CH2-CB 3.54Å; W77-E476 HydrophobicContact CH2-CG 3.62Å; W77-E476 HydrophobicContact CZ2-CB 3.7Å; W77-E476 HydrophobicContact CZ2-CG 3.24Å; W77-E476 VanDerWaalsContact CZ2-OE1 3.29Å; W77-E476 WeakPolarHBondContact CZ2-OE1 3.23Å; W77-E476 HydrophobicContact CZ3-CB 4.38Å; W77-E476 HydrophobicContact CZ3-CG 4.45Å; W77-E476 PolarHBondContact NE1-OE1 3.05Å; V87-E476 HydrophobicContact CG1-CG 3.49Å; V87-E476 VanDerWaalsContact CG1-CG 3.49Å; I472-E476 HydrophobicContact CG2-CG 4.08Å; I472-E476 VanDerWaalsContact O-CG 3.28Å; I472-E476 WeakPolarHBondContact O-CG 3.38Å; I472-E476 PolarHBondContact O-N 2.94Å; L474-E476 PolarHBondContact O-N 3.25Å; E476-A479 WeakPolarHBondContact O-CB 3.3Å; E476-A479 PolarHBondContact O-N 3.22Å; E476-V480 WeakPolarHBondContact O-CG2 3.28Å; E476-V480 PolarHBondContact O-N 2.8Å |
| 477 | T | 94.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.5 | -44 | 179 | -51 | 0 | 0 | 0 | 0 | 110.9 | L58 L61 V473 L474 V480 C481 P514 | L58-T477 HydrophobicContact CD2-CG2 4.36Å; L58-T477 WeakPolarHBondContact CD2-OG1 3.09Å; L61-T477 HydrophobicContact CD1-CG2 4.49Å; V473-T477 WeakPolarHBondContact O-CB 3.34Å; V473-T477 PolarHBondContact O-N 3.41Å; V473-T477 PolarHBondContact O-OG1 2.81Å; L474-T477 PolarHBondContact O-N 2.93Å; T477-V480 PolarHBondContact O-N 2.93Å; T477-C481 VanDerWaalsContact O-CB 3.32Å; T477-C481 WeakPolarHBondContact O-CB 3.4Å; T477-C481 PolarHBondContact O-N 3.49Å; T477-C481 PolarHBondContact O-SG 3.23Å; T477-P514 HydrophobicContact CG2-CG 3.71Å |
| 478 | I | 94.9 | Very high | 94 | Very high | 69 Ų | 69 | 41.5 Ų | 41.5 | 35% | 0.354 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 176.7 | -68.5 | 170 | 0 | 0 | 0 | 110.9 | L474 V475 V480 C481 Y482 V483 | L474-I478 HydrophobicContact CD1-CD1 3.79Å; L474-I478 HydrophobicContact CD1-CG1 4.28Å; L474-I478 HydrophobicContact CG-CD1 3.89Å; L474-I478 VanDerWaalsContact O-CG1 3.3Å; L474-I478 WeakPolarHBondContact O-CG1 3.41Å; L474-I478 PolarHBondContact O-N 2.87Å; V475-I478 PolarHBondContact O-N 3.49Å; I478-V480 PolarHBondContact O-N 3.28Å; I478-C481 PolarHBondContact O-N 3.38Å; I478-Y482 HydrophobicContact CG2-CD2 4.33Å; I478-Y482 WeakPolarHBondContact O-CB 3.3Å; I478-Y482 PolarHBondContact O-N 3.01Å; I478-V483 PolarHBondContact O-N 3.45Å |
| 479 | A | 94.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -57.8 | -47.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | W77 L84 V475 E476 V483 Y484 | W77-A479 HydrophobicContact CE3-CB 4.17Å; W77-A479 HydrophobicContact CZ3-CB 3.77Å; L84-A479 HydrophobicContact CD1-CB 3.4Å; L84-A479 VanDerWaalsContact CD1-CB 3.4Å; L84-A479 HydrophobicContact CD2-CB 4.41Å; V475-A479 WeakPolarHBondContact O-CB 3.47Å; V475-A479 PolarHBondContact O-N 2.85Å; E476-A479 WeakPolarHBondContact O-CB 3.3Å; E476-A479 PolarHBondContact O-N 3.22Å; A479-V483 WeakPolarHBondContact O-CB 3.26Å; A479-V483 PolarHBondContact O-N 2.87Å; A479-Y484 WeakPolarHBondContact O-CB 3.37Å; A479-Y484 PolarHBondContact O-N 3.2Å |
| 480 | V | 95.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -73.1 | -44.7 | -179.7 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | L61 V65 W77 I80 E476 T477 I478 G485 F489 | L61-V480 HydrophobicContact CD1-CB 4.12Å; L61-V480 HydrophobicContact CD1-CG1 4.13Å; L61-V480 HydrophobicContact CD2-CB 4.36Å; L61-V480 HydrophobicContact CD2-CG2 3.88Å; L61-V480 HydrophobicContact CG-CB 4.41Å; L61-V480 HydrophobicContact CG-CG1 4.29Å; L61-V480 HydrophobicContact CG-CG2 4.36Å; V65-V480 HydrophobicContact CG2-CG2 3.71Å; W77-V480 HydrophobicContact CH2-CG2 3.93Å; W77-V480 HydrophobicContact CZ3-CG2 3.85Å; I80-V480 HydrophobicContact CD1-CG2 4.35Å; E476-V480 WeakPolarHBondContact O-CG2 3.28Å; E476-V480 PolarHBondContact O-N 2.8Å; T477-V480 PolarHBondContact O-N 2.93Å; I478-V480 PolarHBondContact O-N 3.28Å; V480-G485 PolarHBondContact O-N 2.85Å; V480-F489 HydrophobicContact CG1-CB 4.39Å; V480-F489 HydrophobicContact CG1-CD1 3.82Å; V480-F489 HydrophobicContact CG1-CD2 3.91Å; V480-F489 HydrophobicContact CG1-CE1 3.94Å; V480-F489 HydrophobicContact CG1-CE2 4.06Å; V480-F489 HydrophobicContact CG1-CG 3.78Å; V480-F489 HydrophobicContact CG1-CZ 4.05Å |
| 481 | C | 94.1 | Very high | 94.5 | Very high | 9 Ų | 9 | 47.4 Ų | 47.4 | 6% | 0.061 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -76.6 | -39.7 | -171.3 | -61.9 | 0 | 0 | 0 | 0 | 113 | T477 I478 G485 L486 W509 | T477-C481 VanDerWaalsContact O-CB 3.32Å; T477-C481 WeakPolarHBondContact O-CB 3.4Å; T477-C481 PolarHBondContact O-N 3.49Å; T477-C481 PolarHBondContact O-SG 3.23Å; I478-C481 PolarHBondContact O-N 3.38Å; C481-G485 WeakPolarHBondContact O-CA 3.49Å; C481-L486 PolarHBondContact O-N 2.94Å; C481-W509 PolarHBondContact SG-O 2.97Å |
| 482 | Y | 94.6 | Very high | 94.6 | Very high | 152 Ų | 152 | 46.6 Ų | 46.6 | 60% | 0.596 | 22% | 0.221 | S | C | * | . | I | π-helix | trans | -111.9 | -36.8 | -169.2 | -63.1 | -85.5 | 0 | 0 | 0 | 113.8 | I478 A510 | I478-Y482 HydrophobicContact CG2-CD2 4.33Å; I478-Y482 WeakPolarHBondContact O-CB 3.3Å; I478-Y482 PolarHBondContact O-N 3.01Å; Y482-A510 PolarHBondContact OH-O 3.34Å |
| 483 | V | 94.4 | Very high | 94.5 | Very high | 81 Ų | 81 | 46.6 Ų | 46.6 | 49% | 0.491 | 22% | 0.221 | S | C | . | . | I | π-helix | trans | -84.2 | -52.1 | 179.8 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | L84 I478 A479 | L84-V483 HydrophobicContact CD1-CB 4.36Å; L84-V483 HydrophobicContact CD1-CG1 4.16Å; I478-V483 PolarHBondContact O-N 3.45Å; A479-V483 WeakPolarHBondContact O-CB 3.26Å; A479-V483 PolarHBondContact O-N 2.87Å |
| 484 | Y | 94.8 | Very high | 94.5 | Very high | 24 Ų | 24 | 52.2 Ų | 52.2 | 9% | 0.094 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -72.6 | -34.6 | 175.1 | -168.1 | -105.8 | 0 | 0 | 0 | 112 | M69 I80 A479 R488 F489 D492 | M69-Y484 HydrophobicContact CE-CE2 4.14Å; I80-Y484 HydrophobicContact CB-CD2 4.29Å; I80-Y484 HydrophobicContact CG1-CD2 3.98Å; I80-Y484 HydrophobicContact CG1-CE2 4.47Å; I80-Y484 HydrophobicContact CG1-CG 4.48Å; I80-Y484 HydrophobicContact CG2-CD2 3.99Å; I80-Y484 HydrophobicContact CG2-CG 4.31Å; A479-Y484 WeakPolarHBondContact O-CB 3.37Å; A479-Y484 PolarHBondContact O-N 3.2Å; Y484-R488 HydrophobicContact CD1-CB 4.46Å; Y484-R488 HydrophobicContact CD1-CG 4.46Å; Y484-R488 HydrophobicContact CE1-CB 4.17Å; Y484-R488 HydrophobicContact CE1-CG 3.77Å; Y484-R488 PolarHBondContact OH-NE 3.41Å; Y484-F489 HydrophobicContact CD1-CB 4.07Å; Y484-F489 HydrophobicContact CD1-CD2 4.41Å; Y484-F489 HydrophobicContact CE1-CB 4.26Å; Y484-F489 HydrophobicContact CE1-CD2 4.36Å; Y484-D492 PolarHBondContact OH-OD2 3.13Å |
| 485 | G | 94.6 | Very high | 94.4 | Very high | 22 Ų | 22 | 55.3 Ų | 55.3 | 23% | 0.227 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | 92.1 | 120.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V480 C481 R487 R488 F489 | V480-G485 PolarHBondContact O-N 2.85Å; C481-G485 WeakPolarHBondContact O-CA 3.49Å; G485-R487 VanDerWaalsContact C-N 3.27Å; G485-R487 PolarHBondContact O-N 3.36Å; G485-R488 WeakPolarHBondContact O-CB 3.34Å; G485-R488 PolarHBondContact O-N 3.31Å; G485-F489 PolarHBondContact O-N 3.42Å |
| 486 | L | 93.8 | Very high | 94.2 | Very high | 34 Ų | 34 | 55.1 Ų | 55.1 | 18% | 0.178 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.1 | -35.3 | -177.3 | -176 | 60.5 | 0 | 0 | 0 | 113.9 | C481 F489 E490 K506 W509 A510 | C481-L486 PolarHBondContact O-N 2.94Å; L486-F489 PolarHBondContact O-N 3.08Å; L486-E490 WeakPolarHBondContact O-CB 3.49Å; L486-E490 PolarHBondContact O-N 2.67Å; L486-K506 HydrophobicContact CD2-CB 4.33Å; L486-W509 HydrophobicContact CD1-CE3 3.94Å; L486-A510 HydrophobicContact CD2-CB 4.02Å |
| 487 | R | 93.7 | Very high | 93.9 | Very high | 228 Ų | 228 | 56.4 Ų | 56.4 | 86% | 0.86 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.8 | -39.8 | 177.3 | -67 | -176.7 | -177.4 | 173.6 | 1.5 | 112.4 | G485 S491 | G485-R487 VanDerWaalsContact C-N 3.27Å; G485-R487 PolarHBondContact O-N 3.36Å; R487-S491 PolarHBondContact O-N 3.14Å; R487-S491 VanDerWaalsContact O-N 3.12Å |
| 488 | R | 94.3 | Very high | 93.6 | Very high | 152 Ų | 152 | 59.3 Ų | 59.3 | 57% | 0.574 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -68.4 | -44.5 | 176.8 | -175.2 | -179.9 | -178.7 | 173.4 | 2.1 | 110.1 | Y484 G485 E490 S491 D492 | Y484-R488 HydrophobicContact CD1-CB 4.46Å; Y484-R488 HydrophobicContact CD1-CG 4.46Å; Y484-R488 HydrophobicContact CE1-CB 4.17Å; Y484-R488 HydrophobicContact CE1-CG 3.77Å; Y484-R488 PolarHBondContact OH-NE 3.41Å; G485-R488 WeakPolarHBondContact O-CB 3.34Å; G485-R488 PolarHBondContact O-N 3.31Å; R488-E490 VanDerWaalsContact C-N 3.34Å; R488-E490 PolarHBondContact O-N 3.2Å; R488-S491 WeakPolarHBondContact O-CB 3.47Å; R488-S491 PolarHBondContact O-N 3.28Å; R488-D492 PolarHBondContact O-N 3.38Å |
| 489 | F | 94.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 63.8 Ų | 63.8 | 1% | 0.013 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 176.4 | -169.5 | -119.3 | 0 | 0 | 0 | 112.6 | A64 V65 V480 Y484 G485 L486 S491 D492 L493 W509 | A64-F489 HydrophobicContact CB-CE1 4.49Å; A64-F489 HydrophobicContact CB-CE2 4.27Å; A64-F489 HydrophobicContact CB-CZ 3.61Å; V65-F489 HydrophobicContact CG2-CE2 4.08Å; V65-F489 HydrophobicContact CG2-CZ 4.3Å; V480-F489 HydrophobicContact CG1-CB 4.39Å; V480-F489 HydrophobicContact CG1-CD1 3.82Å; V480-F489 HydrophobicContact CG1-CD2 3.91Å; V480-F489 HydrophobicContact CG1-CE1 3.94Å; V480-F489 HydrophobicContact CG1-CE2 4.06Å; V480-F489 HydrophobicContact CG1-CG 3.78Å; V480-F489 HydrophobicContact CG1-CZ 4.05Å; Y484-F489 HydrophobicContact CD1-CB 4.07Å; Y484-F489 HydrophobicContact CD1-CD2 4.41Å; Y484-F489 HydrophobicContact CE1-CB 4.26Å; Y484-F489 HydrophobicContact CE1-CD2 4.36Å; G485-F489 PolarHBondContact O-N 3.42Å; L486-F489 PolarHBondContact O-N 3.08Å; F489-S491 PolarHBondContact O-N 3.03Å; F489-D492 PolarHBondContact O-N 3.14Å; F489-L493 HydrophobicContact CD1-CD1 3.84Å; F489-L493 HydrophobicContact CE1-CD1 3.55Å; F489-L493 HydrophobicContact CE1-CG 4.34Å; F489-L493 HydrophobicContact CZ-CD1 4Å; F489-L493 HydrophobicContact CZ-CG 4.37Å; F489-L493 WeakPolarHBondContact O-CB 3.13Å; F489-L493 WeakPolarHBondContact O-CG 3.32Å; F489-L493 PolarHBondContact O-N 3.43Å; F489-W509 HydrophobicContact CD1-CZ3 4.11Å; F489-W509 HydrophobicContact CE1-CE3 4.43Å; F489-W509 AromaticContact CE1-CH2 3.89Å; F489-W509 HydrophobicContact CE1-CH2 3.89Å; F489-W509 AromaticContact CE1-CZ3 3.83Å; F489-W509 HydrophobicContact CE1-CZ3 3.83Å |
| 490 | E | 94.2 | Very high | 92.9 | Very high | 50 Ų | 50 | 66.6 Ų | 66.6 | 23% | 0.234 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 174.3 | 177.3 | 177.1 | -178.4 | 0 | 0 | 112.1 | L486 R488 D492 L493 K494 V501 K506 | L486-E490 WeakPolarHBondContact O-CB 3.49Å; L486-E490 PolarHBondContact O-N 2.67Å; R488-E490 VanDerWaalsContact C-N 3.34Å; R488-E490 PolarHBondContact O-N 3.2Å; E490-D492 VanDerWaalsContact C-N 3.32Å; E490-D492 PolarHBondContact O-N 3.48Å; E490-L493 PolarHBondContact O-N 2.79Å; E490-K494 WeakPolarHBondContact O-CB 3.38Å; E490-K494 PolarHBondContact O-N 3.43Å; E490-V501 HydrophobicContact CG-CB 4.35Å; E490-V501 HydrophobicContact CG-CG2 4.23Å; E490-K506 IonicContact OE1-NZ 2.67Å; E490-K506 PolarHBondContact OE1-NZ 2.92Å; E490-K506 WeakPolarHBondContact OE2-CE 3.43Å; E490-K506 IonicContact OE2-NZ 2.81Å; E490-K506 PolarHBondContact OE2-NZ 2.66Å |
| 491 | S | 94.7 | Very high | 92.8 | Very high | 76 Ų | 76 | 67 Ų | 67 | 53% | 0.531 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 177.5 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | R487 R488 F489 K494 A495 | R487-S491 PolarHBondContact O-N 3.14Å; R487-S491 VanDerWaalsContact O-N 3.12Å; R488-S491 WeakPolarHBondContact O-CB 3.47Å; R488-S491 PolarHBondContact O-N 3.28Å; F489-S491 PolarHBondContact O-N 3.03Å; S491-K494 PolarHBondContact O-N 2.98Å; S491-A495 WeakPolarHBondContact O-CB 3.28Å; S491-A495 PolarHBondContact O-N 3.3Å |
| 492 | D | 93.9 | Very high | 92.7 | Very high | 22 Ų | 22 | 68.9 Ų | 68.9 | 12% | 0.118 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 177.8 | -82.8 | 11.8 | 0 | 0 | 0 | 111.6 | R68 Y484 R488 F489 E490 K494 A495 M496 | R68-D492 IonicContact CZ-OD2 2.78Å; R68-D492 IonicContact NE-OD2 2.72Å; R68-D492 PolarHBondContact NE-OD2 2.89Å; R68-D492 IonicContact NH2-OD1 3.44Å; R68-D492 IonicContact NH2-OD2 3.36Å; R68-D492 PolarHBondContact NH2-OD2 3.09Å; Y484-D492 PolarHBondContact OH-OD2 3.13Å; R488-D492 PolarHBondContact O-N 3.38Å; F489-D492 PolarHBondContact O-N 3.14Å; E490-D492 VanDerWaalsContact C-N 3.32Å; E490-D492 PolarHBondContact O-N 3.48Å; D492-K494 VanDerWaalsContact C-N 3.35Å; D492-K494 PolarHBondContact O-N 3.22Å; D492-A495 PolarHBondContact O-N 3.48Å; D492-M496 WeakPolarHBondContact O-CB 3.42Å; D492-M496 VanDerWaalsContact O-CG 3.28Å; D492-M496 WeakPolarHBondContact O-CG 3.39Å; D492-M496 PolarHBondContact O-N 3.03Å |
| 493 | L | 93.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63 | -39.7 | 174.7 | -82.1 | 176.3 | 0 | 0 | 0 | 112.7 | A64 F489 E490 M496 T497 V501 W509 | A64-L493 HydrophobicContact CB-CD2 3.67Å; F489-L493 HydrophobicContact CD1-CD1 3.84Å; F489-L493 HydrophobicContact CE1-CD1 3.55Å; F489-L493 HydrophobicContact CE1-CG 4.34Å; F489-L493 HydrophobicContact CZ-CD1 4Å; F489-L493 HydrophobicContact CZ-CG 4.37Å; F489-L493 WeakPolarHBondContact O-CB 3.13Å; F489-L493 WeakPolarHBondContact O-CG 3.32Å; F489-L493 PolarHBondContact O-N 3.43Å; E490-L493 PolarHBondContact O-N 2.79Å; L493-M496 PolarHBondContact O-N 2.81Å; L493-T497 PolarHBondContact O-N 3.37Å; L493-T497 PolarHBondContact O-OG1 3.14Å; L493-V501 HydrophobicContact CB-CG2 3.99Å; L493-V501 HydrophobicContact CD1-CG2 3.64Å; L493-V501 HydrophobicContact CG-CG2 4.49Å; L493-W509 HydrophobicContact CD1-CH2 4.01Å; L493-W509 HydrophobicContact CD1-CZ3 4.18Å |
| 494 | K | 93.4 | Very high | 92.7 | Very high | 120 Ų | 120 | 69.6 Ų | 69.6 | 52% | 0.522 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 175 | -174 | 178.8 | 178.9 | -177.7 | 0 | 111.3 | E490 S491 D492 G498 R499 | E490-K494 WeakPolarHBondContact O-CB 3.38Å; E490-K494 PolarHBondContact O-N 3.43Å; S491-K494 PolarHBondContact O-N 2.98Å; D492-K494 VanDerWaalsContact C-N 3.35Å; D492-K494 PolarHBondContact O-N 3.22Å; K494-G498 WeakPolarHBondContact O-CA 3.4Å; K494-G498 PolarHBondContact O-N 3.05Å; K494-R499 WeakPolarHBondContact CA-O 3.48Å |
| 495 | A | 92.9 | Very high | 92.8 | Very high | 85 Ų | 85 | 69 Ų | 69 | 70% | 0.702 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -67 | -36.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | S491 D492 | S491-A495 WeakPolarHBondContact O-CB 3.28Å; S491-A495 PolarHBondContact O-N 3.3Å; D492-A495 PolarHBondContact O-N 3.48Å |
| 496 | M | 92.7 | Very high | 92.8 | Very high | 23 Ų | 23 | 70.7 Ų | 70.7 | 11% | 0.113 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -73.2 | -53 | 177.3 | -74.1 | 172.5 | 67.7 | 0 | 0 | 112.7 | Q67 R68 P268 S269 D492 L493 | Q67-M496 HydrophobicContact CB-CE 3.79Å; Q67-M496 HydrophobicContact CG-CE 3.56Å; R68-M496 HydrophobicContact CB-CE 4.16Å; R68-M496 HydrophobicContact CB-SD 3.59Å; R68-M496 VanDerWaalsContact CB-SD 3.59Å; R68-M496 VanDerWaalsContact CD-SD 3.51Å; R68-M496 HydrophobicContact CG-SD 4.05Å; P268-M496 WeakPolarHBondContact O-CB 3.46Å; P268-M496 WeakPolarHBondContact O-CE 3.37Å; S269-M496 WeakPolarHBondContact CA-O 3.36Å; D492-M496 WeakPolarHBondContact O-CB 3.42Å; D492-M496 VanDerWaalsContact O-CG 3.28Å; D492-M496 WeakPolarHBondContact O-CG 3.39Å; D492-M496 PolarHBondContact O-N 3.03Å; L493-M496 PolarHBondContact O-N 2.81Å |
| 497 | T | 88.8 | Confident | 92.9 | Very high | 30 Ų | 30 | 72.2 Ų | 72.2 | 18% | 0.184 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -100 | -7.9 | -168.2 | 65 | 0 | 0 | 0 | 0 | 114 | L493 R499 | L493-T497 PolarHBondContact O-N 3.37Å; L493-T497 PolarHBondContact O-OG1 3.14Å; T497-R499 PolarHBondContact O-N 2.85Å; T497-R499 PolarHBondContact OG1-N 3.49Å |
| 498 | G | 88.5 | Confident | 93 | Very high | 62 Ų | 62 | 62.3 Ų | 62.3 | 64% | 0.639 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 71.7 | -0 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | K494 | K494-G498 WeakPolarHBondContact O-CA 3.4Å; K494-G498 PolarHBondContact O-N 3.05Å |
| 499 | R | 86.8 | Confident | 93.1 | Very high | 163 Ų | 163 | 55.1 Ų | 55.1 | 62% | 0.615 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -119.2 | 140.8 | -175.6 | -63.7 | -178.3 | -177.2 | -171.9 | -1 | 111.2 | K494 T497 | K494-R499 WeakPolarHBondContact CA-O 3.48Å; T497-R499 PolarHBondContact O-N 2.85Å; T497-R499 PolarHBondContact OG1-N 3.49Å |
| 500 | A | 88.1 | Confident | 93.1 | Very high | 61 Ų | 61 | 56.6 Ų | 56.6 | 50% | 0.504 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 145 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 501 | V | 92.3 | Very high | 93.1 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 131.5 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | E490 L493 W505 K506 W509 | E490-V501 HydrophobicContact CG-CB 4.35Å; E490-V501 HydrophobicContact CG-CG2 4.23Å; L493-V501 HydrophobicContact CB-CG2 3.99Å; L493-V501 HydrophobicContact CD1-CG2 3.64Å; L493-V501 HydrophobicContact CG-CG2 4.49Å; V501-W505 HydrophobicContact CG1-CB 3.64Å; V501-W505 HydrophobicContact CG1-CG 4.17Å; V501-K506 HydrophobicContact CG1-CG 4.2Å; V501-K506 WeakPolarHBondContact O-CE 3.42Å; V501-W509 HydrophobicContact CG1-CH2 4.44Å; V501-W509 HydrophobicContact CG1-CZ3 3.94Å |
| 502 | S | 93.1 | Very high | 93.1 | Very high | 50 Ų | 50 | 54.6 Ų | 54.6 | 35% | 0.35 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 159.1 | 177.6 | 71.3 | 0 | 0 | 0 | 0 | 112 | Y504 W505 | S502-Y504 PolarHBondContact O-N 3.13Å; S502-W505 PolarHBondContact O-N 3.44Å; S502-W505 PolarHBondContact OG-NE1 3.22Å |
| 503 | W | 93.9 | Very high | 93.1 | Very high | 191 Ų | 191 | 53.6 Ų | 53.6 | 72% | 0.723 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -59.5 | -33.6 | -179 | 71.2 | -92.8 | 0 | 0 | 0 | 112.8 | W505 K506 V507 | W503-W505 PolarHBondContact O-N 3.16Å; W503-K506 WeakPolarHBondContact O-CB 3.46Å; W503-K506 PolarHBondContact O-N 3.18Å; W503-V507 HydrophobicContact CE3-CG2 3.94Å; W503-V507 HydrophobicContact CZ3-CG2 4.36Å; W503-V507 WeakPolarHBondContact O-CG2 3.2Å; W503-V507 PolarHBondContact O-N 3.24Å |
| 504 | Y | 95.4 | Very high | 93.2 | Very high | 57 Ų | 57 | 54.1 Ų | 54.1 | 22% | 0.224 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -53.3 | -56.9 | 178.9 | 171.4 | -102.7 | 0 | 0 | 0 | 111.8 | I52 S502 K506 V507 M508 | I52-Y504 WeakPolarHBondContact CG2-OH 3.48Å; I52-Y504 PolarHBondContact O-OH 3.5Å; S502-Y504 PolarHBondContact O-N 3.13Å; Y504-K506 VanDerWaalsContact C-N 3.25Å; Y504-K506 PolarHBondContact O-N 3.39Å; Y504-V507 PolarHBondContact O-N 2.87Å; Y504-M508 HydrophobicContact CD1-CG 4.49Å; Y504-M508 HydrophobicContact CD2-CG 4.23Å; Y504-M508 HydrophobicContact CE1-CG 4.09Å; Y504-M508 HydrophobicContact CE2-CE 4.42Å; Y504-M508 HydrophobicContact CE2-CG 3.82Å; Y504-M508 HydrophobicContact CE2-SD 4.06Å; Y504-M508 WeakPolarHBondContact O-CG 3.39Å; Y504-M508 PolarHBondContact O-N 3.04Å |
| 505 | W | 95.6 | Very high | 93.3 | Very high | 10 Ų | 10 | 53.9 Ų | 53.9 | 4% | 0.038 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.5 | -37.4 | -178.6 | -56.2 | 114.6 | 0 | 0 | 0 | 111.9 | M56 P57 Y60 Q273 I277 V501 S502 W503 M508 W509 | M56-W505 HydrophobicContact CB-CH2 4.23Å; M56-W505 HydrophobicContact CB-CZ3 4.15Å; P57-W505 HydrophobicContact CB-CE3 4.28Å; P57-W505 HydrophobicContact CB-CZ3 4.37Å; P57-W505 HydrophobicContact CG-CE3 4.24Å; P57-W505 HydrophobicContact CG-CZ3 4.08Å; Y60-W505 AromaticContact CD1-CD2 3.7Å; Y60-W505 HydrophobicContact CD1-CD2 3.7Å; Y60-W505 AromaticContact CD1-CE3 3.83Å; Y60-W505 HydrophobicContact CD1-CE3 3.83Å; Y60-W505 HydrophobicContact CD1-CG 4.06Å; Y60-W505 HydrophobicContact CD1-CZ3 4.28Å; Y60-W505 HydrophobicContact CE1-CD2 4.09Å; Y60-W505 HydrophobicContact CE1-CG 4.01Å; Q273-W505 HydrophobicContact CG-CZ2 4.14Å; I277-W505 HydrophobicContact CD1-CZ2 4.17Å; I277-W505 HydrophobicContact CG1-CH2 4.31Å; I277-W505 HydrophobicContact CG1-CZ2 4.34Å; V501-W505 HydrophobicContact CG1-CB 3.64Å; V501-W505 HydrophobicContact CG1-CG 4.17Å; S502-W505 PolarHBondContact O-N 3.44Å; S502-W505 PolarHBondContact OG-NE1 3.22Å; W503-W505 PolarHBondContact O-N 3.16Å; W505-M508 PolarHBondContact O-N 3.37Å; W505-W509 HydrophobicContact CB-CD2 4.37Å; W505-W509 HydrophobicContact CB-CE3 4.21Å; W505-W509 HydrophobicContact CB-CH2 4.22Å; W505-W509 HydrophobicContact CB-CZ2 4.36Å; W505-W509 HydrophobicContact CB-CZ3 4.13Å; W505-W509 WeakPolarHBondContact O-CB 3.33Å; W505-W509 VanDerWaalsContact O-CD2 3.28Å; W505-W509 PolarHBondContact O-N 3.47Å |
| 506 | K | 94.6 | Very high | 93.3 | Very high | 58 Ų | 58 | 52 Ų | 52 | 25% | 0.252 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 178.3 | -57.8 | -179 | -158.9 | -161.9 | 0 | 111.7 | L486 E490 V501 W503 Y504 A510 | L486-K506 HydrophobicContact CD2-CB 4.33Å; E490-K506 IonicContact OE1-NZ 2.67Å; E490-K506 PolarHBondContact OE1-NZ 2.92Å; E490-K506 WeakPolarHBondContact OE2-CE 3.43Å; E490-K506 IonicContact OE2-NZ 2.81Å; E490-K506 PolarHBondContact OE2-NZ 2.66Å; V501-K506 HydrophobicContact CG1-CG 4.2Å; V501-K506 WeakPolarHBondContact O-CE 3.42Å; W503-K506 WeakPolarHBondContact O-CB 3.46Å; W503-K506 PolarHBondContact O-N 3.18Å; Y504-K506 VanDerWaalsContact C-N 3.25Å; Y504-K506 PolarHBondContact O-N 3.39Å; K506-A510 WeakPolarHBondContact O-CB 3.32Å; K506-A510 PolarHBondContact O-N 3.46Å |
| 507 | V | 96.1 | Very high | 93.3 | Very high | 67 Ų | 67 | 51 Ų | 51 | 41% | 0.406 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.7 | -40.8 | 179.4 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | W503 Y504 G511 V512 | W503-V507 HydrophobicContact CE3-CG2 3.94Å; W503-V507 HydrophobicContact CZ3-CG2 4.36Å; W503-V507 WeakPolarHBondContact O-CG2 3.2Å; W503-V507 PolarHBondContact O-N 3.24Å; Y504-V507 PolarHBondContact O-N 2.87Å; V507-G511 PolarHBondContact O-N 3.05Å; V507-G511 VanDerWaalsContact O-N 3.11Å; V507-V512 HydrophobicContact CG1-CG2 4.06Å; V507-V512 PolarHBondContact O-N 2.99Å |
| 508 | M | 96.4 | Very high | 93.5 | Very high | 19 Ų | 19 | 52.7 Ų | 52.7 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -61 | -53.7 | 176.4 | -65.3 | -58 | 98.1 | 0 | 0 | 111.3 | V53 P57 Y504 W505 V512 S513 | V53-M508 HydrophobicContact CG1-SD 4.04Å; P57-M508 HydrophobicContact CB-CB 3.8Å; P57-M508 HydrophobicContact CB-CG 4.44Å; P57-M508 HydrophobicContact CG-CB 3.66Å; P57-M508 HydrophobicContact CG-CG 3.76Å; Y504-M508 HydrophobicContact CD1-CG 4.49Å; Y504-M508 HydrophobicContact CD2-CG 4.23Å; Y504-M508 HydrophobicContact CE1-CG 4.09Å; Y504-M508 HydrophobicContact CE2-CE 4.42Å; Y504-M508 HydrophobicContact CE2-CG 3.82Å; Y504-M508 HydrophobicContact CE2-SD 4.06Å; Y504-M508 WeakPolarHBondContact O-CG 3.39Å; Y504-M508 PolarHBondContact O-N 3.04Å; W505-M508 PolarHBondContact O-N 3.37Å; M508-V512 HydrophobicContact CE-CB 3.77Å; M508-V512 HydrophobicContact CE-CG1 4.13Å; M508-V512 HydrophobicContact CE-CG2 3.55Å; M508-V512 PolarHBondContact O-N 3Å; M508-V512 HydrophobicContact SD-CB 4.07Å; M508-V512 HydrophobicContact SD-CG1 4.15Å; M508-V512 HydrophobicContact SD-CG2 4.5Å; M508-S513 WeakPolarHBondContact O-CB 3.43Å; M508-S513 PolarHBondContact O-N 2.98Å; M508-S513 PolarHBondContact O-OG 3.23Å |
| 509 | W | 95.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -66.6 | -42.4 | -178.7 | -66 | -27.6 | 0 | 0 | 0 | 113.7 | P57 Y60 L61 C481 L486 F489 L493 V501 W505 P514 | P57-W509 PolarHBondContact O-NE1 3.22Å; Y60-W509 AromaticContact CD1-CH2 3.47Å; Y60-W509 HydrophobicContact CD1-CH2 3.47Å; Y60-W509 VanDerWaalsContact CD1-CH2 3.47Å; Y60-W509 AromaticContact CD1-CZ2 3.22Å; Y60-W509 HydrophobicContact CD1-CZ2 3.22Å; Y60-W509 AromaticContact CE1-CH2 3.33Å; Y60-W509 HydrophobicContact CE1-CH2 3.33Å; Y60-W509 AromaticContact CE1-CZ2 3.65Å; Y60-W509 HydrophobicContact CE1-CZ2 3.65Å; Y60-W509 HydrophobicContact CE1-CZ3 4.42Å; Y60-W509 HydrophobicContact CG-CH2 4.26Å; Y60-W509 AromaticContact CG-CZ2 3.8Å; Y60-W509 HydrophobicContact CG-CZ2 3.8Å; L61-W509 HydrophobicContact CB-CZ2 4.15Å; L61-W509 HydrophobicContact CD1-CD2 4.45Å; L61-W509 HydrophobicContact CD1-CG 4.18Å; C481-W509 PolarHBondContact SG-O 2.97Å; L486-W509 HydrophobicContact CD1-CE3 3.94Å; F489-W509 HydrophobicContact CD1-CZ3 4.11Å; F489-W509 HydrophobicContact CE1-CE3 4.43Å; F489-W509 AromaticContact CE1-CH2 3.89Å; F489-W509 HydrophobicContact CE1-CH2 3.89Å; F489-W509 AromaticContact CE1-CZ3 3.83Å; F489-W509 HydrophobicContact CE1-CZ3 3.83Å; L493-W509 HydrophobicContact CD1-CH2 4.01Å; L493-W509 HydrophobicContact CD1-CZ3 4.18Å; V501-W509 HydrophobicContact CG1-CH2 4.44Å; V501-W509 HydrophobicContact CG1-CZ3 3.94Å; W505-W509 HydrophobicContact CB-CD2 4.37Å; W505-W509 HydrophobicContact CB-CE3 4.21Å; W505-W509 HydrophobicContact CB-CH2 4.22Å; W505-W509 HydrophobicContact CB-CZ2 4.36Å; W505-W509 HydrophobicContact CB-CZ3 4.13Å; W505-W509 WeakPolarHBondContact O-CB 3.33Å; W505-W509 VanDerWaalsContact O-CD2 3.28Å; W505-W509 PolarHBondContact O-N 3.47Å; W509-P514 WeakPolarHBondContact O-CD 3.39Å; W509-P514 VanDerWaalsContact O-CG 3.27Å; W509-P514 WeakPolarHBondContact O-CG 3.21Å |
| 510 | A | 94.6 | Very high | 93.7 | Very high | 34 Ų | 34 | 45.5 Ų | 45.5 | 28% | 0.281 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -71.8 | -39.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y482 L486 K506 | Y482-A510 PolarHBondContact OH-O 3.34Å; L486-A510 HydrophobicContact CD2-CB 4.02Å; K506-A510 WeakPolarHBondContact O-CB 3.32Å; K506-A510 PolarHBondContact O-N 3.46Å |
| 511 | G | 94.6 | Very high | 93.8 | Very high | 35 Ų | 35 | 45.1 Ų | 45.1 | 36% | 0.361 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -129.5 | -57.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V507 P514 L515 | V507-G511 PolarHBondContact O-N 3.05Å; V507-G511 VanDerWaalsContact O-N 3.11Å; G511-P514 WeakPolarHBondContact O-CD 2.95Å; G511-L515 VanDerWaalsContact O-CB 3.3Å; G511-L515 WeakPolarHBondContact O-CB 3.35Å; G511-L515 PolarHBondContact O-N 3.27Å; G511-L515 VanDerWaalsContact O-N 3.14Å |
| 512 | V | 95.3 | Very high | 93.7 | Very high | 49 Ų | 49 | 48.9 Ų | 48.9 | 30% | 0.297 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -68.7 | -52.4 | -164 | -178.7 | 0 | 0 | 0 | 0 | 112.2 | V53 V507 M508 L515 L516 | V53-V512 HydrophobicContact CG1-CG1 3.37Å; V507-V512 HydrophobicContact CG1-CG2 4.06Å; V507-V512 PolarHBondContact O-N 2.99Å; M508-V512 HydrophobicContact CE-CB 3.77Å; M508-V512 HydrophobicContact CE-CG1 4.13Å; M508-V512 HydrophobicContact CE-CG2 3.55Å; M508-V512 PolarHBondContact O-N 3Å; M508-V512 HydrophobicContact SD-CB 4.07Å; M508-V512 HydrophobicContact SD-CG1 4.15Å; M508-V512 HydrophobicContact SD-CG2 4.5Å; V512-L515 PolarHBondContact O-N 3.5Å; V512-L516 HydrophobicContact CG1-CD1 3.81Å; V512-L516 HydrophobicContact CG1-CG 4.42Å; V512-L516 WeakPolarHBondContact O-CG 3.42Å; V512-L516 PolarHBondContact O-N 2.87Å |
| 513 | S | 93.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.5 | -46.9 | -178.7 | -45.5 | 0 | 0 | 0 | 0 | 112.1 | V53 M508 L515 L516 I517 | V53-S513 PolarHBondContact O-OG 2.69Å; M508-S513 WeakPolarHBondContact O-CB 3.43Å; M508-S513 PolarHBondContact O-N 2.98Å; M508-S513 PolarHBondContact O-OG 3.23Å; S513-L515 VanDerWaalsContact C-N 3.35Å; S513-L515 PolarHBondContact O-N 3.2Å; S513-L516 PolarHBondContact O-N 3.41Å; S513-I517 WeakPolarHBondContact O-CD1 3.32Å; S513-I517 WeakPolarHBondContact O-CG1 3.22Å; S513-I517 PolarHBondContact O-N 3.01Å |
| 514 | P | 94.1 | Very high | 93 | Very high | 12 Ų | 12 | 42 Ų | 42 | 8% | 0.078 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.2 | -44 | 174.5 | -24.2 | 31 | 0 | 0 | 0 | 113.9 | T477 W509 G511 I517 V518 | T477-P514 HydrophobicContact CG2-CG 3.71Å; W509-P514 WeakPolarHBondContact O-CD 3.39Å; W509-P514 VanDerWaalsContact O-CG 3.27Å; W509-P514 WeakPolarHBondContact O-CG 3.21Å; G511-P514 WeakPolarHBondContact O-CD 2.95Å; P514-I517 PolarHBondContact O-N 3.28Å; P514-V518 VanDerWaalsContact O-CG2 3.26Å; P514-V518 WeakPolarHBondContact O-CG2 3.47Å; P514-V518 PolarHBondContact O-N 2.97Å |
| 515 | L | 94.9 | Very high | 92.5 | Very high | 116 Ų | 116 | 42.9 Ų | 42.9 | 61% | 0.607 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -66.9 | -39.7 | -178.2 | -174.9 | 147.3 | 0 | 0 | 0 | 111.8 | G511 V512 S513 S519 | G511-L515 VanDerWaalsContact O-CB 3.3Å; G511-L515 WeakPolarHBondContact O-CB 3.35Å; G511-L515 PolarHBondContact O-N 3.27Å; G511-L515 VanDerWaalsContact O-N 3.14Å; V512-L515 PolarHBondContact O-N 3.5Å; S513-L515 VanDerWaalsContact C-N 3.35Å; S513-L515 PolarHBondContact O-N 3.2Å; L515-S519 WeakPolarHBondContact O-CB 3.23Å; L515-S519 PolarHBondContact O-N 3.28Å; L515-S519 PolarHBondContact O-OG 2.9Å |
| 516 | L | 93.1 | Very high | 92 | Very high | 46 Ų | 46 | 44.5 Ų | 44.5 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.8 | -45.4 | 176 | -71.3 | 172.4 | 0 | 0 | 0 | 111.7 | V53 E54 V512 S513 V518 S519 L520 | V53-L516 HydrophobicContact CB-CD1 4.38Å; V53-L516 HydrophobicContact CG1-CD1 3.32Å; E54-L516 HydrophobicContact CG-CB 4.42Å; E54-L516 HydrophobicContact CG-CD1 4.14Å; E54-L516 WeakPolarHBondContact OE1-CB 3.48Å; V512-L516 HydrophobicContact CG1-CD1 3.81Å; V512-L516 HydrophobicContact CG1-CG 4.42Å; V512-L516 WeakPolarHBondContact O-CG 3.42Å; V512-L516 PolarHBondContact O-N 2.87Å; S513-L516 PolarHBondContact O-N 3.41Å; L516-V518 VanDerWaalsContact C-N 3.3Å; L516-V518 PolarHBondContact O-N 3.48Å; L516-S519 CarbonylContact O-C 3.59Å; L516-S519 WeakPolarHBondContact O-CA 3.28Å; L516-S519 WeakPolarHBondContact O-CB 3.23Å; L516-S519 PolarHBondContact O-N 3.45Å; L516-L520 WeakPolarHBondContact O-CG 3.48Å; L516-L520 PolarHBondContact O-N 3.22Å |
| 517 | I | 92.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.6 | -41.7 | 176.2 | -61.5 | 158.1 | 0 | 0 | 0 | 110.9 | L58 F249 L470 V473 L474 S513 P514 S519 L520 F521 | L58-I517 HydrophobicContact CD1-CD1 4.08Å; L58-I517 HydrophobicContact CD2-CD1 4.23Å; F249-I517 HydrophobicContact CZ-CG1 4.08Å; L470-I517 WeakPolarHBondContact O-CG2 3.24Å; V473-I517 HydrophobicContact CG1-CD1 3.85Å; L474-I517 HydrophobicContact CB-CG2 3.74Å; L474-I517 HydrophobicContact CD1-CB 4.37Å; L474-I517 HydrophobicContact CD1-CG2 4.26Å; L474-I517 HydrophobicContact CG-CG2 4.46Å; S513-I517 WeakPolarHBondContact O-CD1 3.32Å; S513-I517 WeakPolarHBondContact O-CG1 3.22Å; S513-I517 PolarHBondContact O-N 3.01Å; P514-I517 PolarHBondContact O-N 3.28Å; I517-S519 VanDerWaalsContact C-N 3.33Å; I517-S519 PolarHBondContact O-N 2.87Å; I517-L520 PolarHBondContact O-N 3.42Å; I517-F521 VanDerWaalsContact O-CB 3.31Å; I517-F521 WeakPolarHBondContact O-CB 3.43Å; I517-F521 PolarHBondContact O-N 2.92Å |
| 518 | V | 93.5 | Very high | 90.7 | Very high | 66 Ų | 66 | 45.4 Ų | 45.4 | 40% | 0.4 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 174 | 169.6 | 0 | 0 | 0 | 0 | 111 | L474 P514 L516 F521 V522 | L474-V518 HydrophobicContact CD1-CG2 3.69Å; L474-V518 HydrophobicContact CD2-CG2 3.92Å; L474-V518 HydrophobicContact CG-CG2 4.48Å; P514-V518 VanDerWaalsContact O-CG2 3.26Å; P514-V518 WeakPolarHBondContact O-CG2 3.47Å; P514-V518 PolarHBondContact O-N 2.97Å; L516-V518 VanDerWaalsContact C-N 3.3Å; L516-V518 PolarHBondContact O-N 3.48Å; V518-F521 PolarHBondContact O-N 2.91Å; V518-V522 HydrophobicContact CG1-CG2 4.43Å; V518-V522 WeakPolarHBondContact O-CG2 3.3Å; V518-V522 PolarHBondContact O-N 3.5Å |
| 519 | S | 91.3 | Very high | 90 | Very high | 63 Ų | 63 | 50.1 Ų | 50.1 | 44% | 0.441 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 178.3 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | L515 L516 I517 V522 F523 | L515-S519 WeakPolarHBondContact O-CB 3.23Å; L515-S519 PolarHBondContact O-N 3.28Å; L515-S519 PolarHBondContact O-OG 2.9Å; L516-S519 CarbonylContact O-C 3.59Å; L516-S519 WeakPolarHBondContact O-CA 3.28Å; L516-S519 WeakPolarHBondContact O-CB 3.23Å; L516-S519 PolarHBondContact O-N 3.45Å; I517-S519 VanDerWaalsContact C-N 3.33Å; I517-S519 PolarHBondContact O-N 2.87Å; S519-V522 PolarHBondContact O-N 3.34Å; S519-F523 WeakPolarHBondContact O-CB 3.38Å; S519-F523 PolarHBondContact O-N 2.96Å |
| 520 | L | 89.5 | Confident | 89.4 | Confident | 11 Ų | 11 | 56.9 Ų | 56.9 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 175.4 | -69.3 | 173.2 | 0 | 0 | 0 | 111.8 | V242 A245 L516 I517 F523 Y524 | V242-L520 HydrophobicContact CB-CD2 4.2Å; V242-L520 HydrophobicContact CG1-CD2 4.49Å; V242-L520 HydrophobicContact CG2-CD2 3.66Å; A245-L520 HydrophobicContact CB-CD1 3.39Å; A245-L520 HydrophobicContact CB-CD2 4.04Å; A245-L520 HydrophobicContact CB-CG 4.38Å; L516-L520 WeakPolarHBondContact O-CG 3.48Å; L516-L520 PolarHBondContact O-N 3.22Å; I517-L520 PolarHBondContact O-N 3.42Å; L520-F523 PolarHBondContact O-N 3.28Å; L520-Y524 WeakPolarHBondContact O-CB 3.22Å; L520-Y524 PolarHBondContact O-N 2.99Å |
| 521 | F | 88.6 | Confident | 88.5 | Confident | 53 Ų | 53 | 59.4 Ų | 59.4 | 23% | 0.232 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 177.7 | -176.2 | -90.2 | 0 | 0 | 0 | 111.7 | L467 L470 L471 I517 V518 Y524 L525 | L467-F521 HydrophobicContact CD1-CD2 3.91Å; L467-F521 HydrophobicContact CD1-CE2 3.47Å; L467-F521 VanDerWaalsContact CD1-CE2 3.47Å; L467-F521 HydrophobicContact CD1-CZ 4.17Å; L467-F521 HydrophobicContact CG-CE2 4.3Å; L470-F521 HydrophobicContact CB-CD2 4.06Å; L471-F521 HydrophobicContact CB-CE2 4.27Å; I517-F521 VanDerWaalsContact O-CB 3.31Å; I517-F521 WeakPolarHBondContact O-CB 3.43Å; I517-F521 PolarHBondContact O-N 2.92Å; V518-F521 PolarHBondContact O-N 2.91Å; F521-Y524 PolarHBondContact O-N 3.02Å; F521-L525 WeakPolarHBondContact O-CB 3.36Å; F521-L525 PolarHBondContact O-N 3.45Å |
| 522 | V | 89.8 | Confident | 87.3 | Confident | 88 Ų | 88 | 60.3 Ų | 60.3 | 53% | 0.533 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 176.6 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | V518 S519 L525 S526 | V518-V522 HydrophobicContact CG1-CG2 4.43Å; V518-V522 WeakPolarHBondContact O-CG2 3.3Å; V518-V522 PolarHBondContact O-N 3.5Å; S519-V522 PolarHBondContact O-N 3.34Å; V522-L525 PolarHBondContact O-N 3.45Å; V522-S526 WeakPolarHBondContact O-CB 3.26Å; V522-S526 PolarHBondContact O-N 3.14Å; V522-S526 PolarHBondContact O-OG 3.11Å |
| 523 | F | 88.1 | Confident | 86.2 | Confident | 52 Ų | 52 | 62.4 Ų | 62.4 | 23% | 0.228 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 177.8 | -178.1 | -89.8 | 0 | 0 | 0 | 111.5 | P238 K239 V242 S519 L520 L525 S526 D527 | P238-F523 HydrophobicContact CB-CD2 4.14Å; P238-F523 HydrophobicContact CB-CE1 4.44Å; P238-F523 HydrophobicContact CB-CE2 3.41Å; P238-F523 VanDerWaalsContact CB-CE2 3.41Å; P238-F523 HydrophobicContact CB-CZ 3.59Å; P238-F523 HydrophobicContact CG-CE2 3.47Å; P238-F523 VanDerWaalsContact CG-CE2 3.47Å; P238-F523 HydrophobicContact CG-CZ 3.55Å; K239-F523 HydrophobicContact CG-CE1 4.19Å; K239-F523 HydrophobicContact CG-CZ 4.1Å; V242-F523 HydrophobicContact CB-CD1 4.11Å; V242-F523 HydrophobicContact CB-CE1 4.33Å; V242-F523 HydrophobicContact CG1-CD1 4.36Å; V242-F523 HydrophobicContact CG2-CB 4.26Å; V242-F523 HydrophobicContact CG2-CD1 3.18Å; V242-F523 HydrophobicContact CG2-CE1 3.68Å; V242-F523 HydrophobicContact CG2-CG 3.86Å; S519-F523 WeakPolarHBondContact O-CB 3.38Å; S519-F523 PolarHBondContact O-N 2.96Å; L520-F523 PolarHBondContact O-N 3.28Å; F523-L525 VanDerWaalsContact C-N 3.31Å; F523-L525 PolarHBondContact O-N 3.43Å; F523-S526 WeakPolarHBondContact CA-OG 3.44Å; F523-S526 PolarHBondContact O-N 2.93Å; F523-S526 VanDerWaalsContact O-N 3.13Å; F523-S526 PolarHBondContact O-OG 3.07Å; F523-D527 HydrophobicContact CE1-CB 4.32Å; F523-D527 PolarHBondContact O-N 3.47Å |
| 524 | Y | 84.5 | Confident | 85.7 | Confident | 44 Ų | 44 | 63.7 Ų | 63.7 | 17% | 0.173 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 178.4 | -176.3 | -87 | 0 | 0 | 0 | 111.5 | T466 L467 L470 L520 F521 S526 D527 Y528 | T466-Y524 HydrophobicContact CG2-CD2 4.21Å; T466-Y524 HydrophobicContact CG2-CE2 3.54Å; L467-Y524 HydrophobicContact CB-CE1 3.97Å; L467-Y524 HydrophobicContact CD1-CD1 3.72Å; L467-Y524 HydrophobicContact CD1-CE1 3.95Å; L467-Y524 HydrophobicContact CG-CE1 4.41Å; L470-Y524 HydrophobicContact CD1-CG 4.46Å; L520-Y524 WeakPolarHBondContact O-CB 3.22Å; L520-Y524 PolarHBondContact O-N 2.99Å; F521-Y524 PolarHBondContact O-N 3.02Å; Y524-S526 PolarHBondContact O-N 2.68Å; Y524-D527 PolarHBondContact O-N 3.33Å; Y524-Y528 WeakPolarHBondContact O-CB 3.47Å; Y524-Y528 PolarHBondContact O-N 3.26Å |
| 525 | L | 85.1 | Confident | 85.4 | Confident | 76 Ų | 76 | 68.8 Ų | 68.8 | 40% | 0.398 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 177 | -169 | 67.8 | 0 | 0 | 0 | 111.8 | F521 V522 F523 Y528 I529 | F521-L525 WeakPolarHBondContact O-CB 3.36Å; F521-L525 PolarHBondContact O-N 3.45Å; V522-L525 PolarHBondContact O-N 3.45Å; F523-L525 VanDerWaalsContact C-N 3.31Å; F523-L525 PolarHBondContact O-N 3.43Å; L525-Y528 PolarHBondContact O-N 2.62Å; L525-I529 HydrophobicContact CD1-CD1 4.48Å; L525-I529 HydrophobicContact CG-CD1 3.98Å; L525-I529 WeakPolarHBondContact O-CD1 3.38Å; L525-I529 VanDerWaalsContact O-CG1 3.24Å; L525-I529 WeakPolarHBondContact O-CG1 3.34Å; L525-I529 PolarHBondContact O-N 2.93Å |
| 526 | S | 85.8 | Confident | 85.2 | Confident | 44 Ų | 44 | 64 Ų | 64 | 31% | 0.308 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 177.3 | 72.3 | 0 | 0 | 0 | 0 | 112.4 | V522 F523 Y524 Y528 I529 L530 | V522-S526 WeakPolarHBondContact O-CB 3.26Å; V522-S526 PolarHBondContact O-N 3.14Å; V522-S526 PolarHBondContact O-OG 3.11Å; F523-S526 WeakPolarHBondContact CA-OG 3.44Å; F523-S526 PolarHBondContact O-N 2.93Å; F523-S526 VanDerWaalsContact O-N 3.13Å; F523-S526 PolarHBondContact O-OG 3.07Å; Y524-S526 PolarHBondContact O-N 2.68Å; S526-Y528 VanDerWaalsContact C-N 3.32Å; S526-Y528 PolarHBondContact O-N 3.46Å; S526-I529 PolarHBondContact O-N 3.16Å; S526-L530 VanDerWaalsContact O-CB 3.3Å; S526-L530 WeakPolarHBondContact O-CB 3.46Å; S526-L530 WeakPolarHBondContact O-CD1 3.43Å; S526-L530 WeakPolarHBondContact O-CG 3.36Å; S526-L530 PolarHBondContact O-N 2.91Å |
| 527 | D | 82.3 | Confident | 85 | Confident | 47 Ų | 47 | 65.9 Ų | 65.9 | 25% | 0.251 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 177.1 | -169.9 | 56.9 | 0 | 0 | 0 | 110.7 | K239 F523 Y524 L530 T531 | K239-D527 WeakPolarHBondContact CE-OD1 3.47Å; K239-D527 VanDerWaalsContact NZ-CG 3.32Å; K239-D527 IonicContact NZ-OD1 3.37Å; K239-D527 PolarHBondContact NZ-OD1 3.16Å; K239-D527 IonicContact NZ-OD2 2.84Å; K239-D527 PolarHBondContact NZ-OD2 2.69Å; K239-D527 VanDerWaalsContact NZ-OD2 3.12Å; F523-D527 HydrophobicContact CE1-CB 4.32Å; F523-D527 PolarHBondContact O-N 3.47Å; Y524-D527 PolarHBondContact O-N 3.33Å; D527-L530 PolarHBondContact O-N 3.39Å; D527-T531 VanDerWaalsContact O-CB 3.23Å; D527-T531 WeakPolarHBondContact O-CB 3.29Å; D527-T531 PolarHBondContact O-N 3.46Å; D527-T531 PolarHBondContact O-OG1 3.38Å |
| 528 | Y | 79.9 | Confident | 85 | Confident | 96 Ų | 96 | 65.9 Ų | 65.9 | 38% | 0.376 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 176 | -172.4 | -92.1 | 0 | 0 | 0 | 112.3 | Y524 L525 S526 L534 | Y524-Y528 WeakPolarHBondContact O-CB 3.47Å; Y524-Y528 PolarHBondContact O-N 3.26Å; L525-Y528 PolarHBondContact O-N 2.62Å; S526-Y528 VanDerWaalsContact C-N 3.32Å; S526-Y528 PolarHBondContact O-N 3.46Å; Y528-L534 HydrophobicContact CD2-CD2 4.31Å; Y528-L534 HydrophobicContact CE2-CD1 3.96Å; Y528-L534 HydrophobicContact CE2-CD2 3.77Å; Y528-L534 HydrophobicContact CE2-CG 4.32Å |
| 529 | I | 82.8 | Confident | 84.9 | Confident | 118 Ų | 118 | 62.9 Ų | 62.9 | 61% | 0.605 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.2 | -40.2 | 179 | -67.2 | 165.5 | 0 | 0 | 0 | 111.4 | L525 S526 | L525-I529 HydrophobicContact CD1-CD1 4.48Å; L525-I529 HydrophobicContact CG-CD1 3.98Å; L525-I529 WeakPolarHBondContact O-CD1 3.38Å; L525-I529 VanDerWaalsContact O-CG1 3.24Å; L525-I529 WeakPolarHBondContact O-CG1 3.34Å; L525-I529 PolarHBondContact O-N 2.93Å; S526-I529 PolarHBondContact O-N 3.16Å |
| 530 | L | 82.8 | Confident | 84.9 | Confident | 145 Ų | 145 | 62 Ų | 62 | 76% | 0.759 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -75.4 | -33.1 | -176.5 | -71.4 | 168.8 | 0 | 0 | 0 | 113.2 | S526 D527 G532 | S526-L530 VanDerWaalsContact O-CB 3.3Å; S526-L530 WeakPolarHBondContact O-CB 3.46Å; S526-L530 WeakPolarHBondContact O-CD1 3.43Å; S526-L530 WeakPolarHBondContact O-CG 3.36Å; S526-L530 PolarHBondContact O-N 2.91Å; D527-L530 PolarHBondContact O-N 3.39Å; L530-G532 PolarHBondContact O-N 3.3Å |
| 531 | T | 75.6 | Confident | 84.9 | Confident | 86 Ų | 86 | 63.2 Ų | 63.2 | 53% | 0.528 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.5 | -19 | -177.8 | -56.2 | 0 | 0 | 0 | 0 | 112.4 | D527 T533 | D527-T531 VanDerWaalsContact O-CB 3.23Å; D527-T531 WeakPolarHBondContact O-CB 3.29Å; D527-T531 PolarHBondContact O-N 3.46Å; D527-T531 PolarHBondContact O-OG1 3.38Å; T531-T533 PolarHBondContact O-N 2.86Å |
| 532 | G | 70.9 | Confident | 84.8 | Confident | 54 Ų | 54 | 64 Ų | 64 | 56% | 0.557 | 36% | 0.355 | S | S | * | . | trans | 79.2 | -109.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L530 | L530-G532 PolarHBondContact O-N 3.3Š| ||
| 533 | T | 71.6 | Confident | 84.6 | Confident | 94 Ų | 94 | 64.7 Ų | 64.7 | 58% | 0.577 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -85.4 | 128.9 | -174.6 | 58.7 | 0 | 0 | 0 | 0 | 112 | T531 | T531-T533 PolarHBondContact O-N 2.86Š|
| 534 | L | 83.1 | Confident | 84.5 | Confident | 26 Ų | 26 | 62.3 Ų | 62.3 | 14% | 0.136 | 34% | 0.342 | C | S | . | . | trans | -72.6 | 132.2 | 174.9 | -60.5 | -179.6 | 0 | 0 | 0 | 110.4 | Y463 Y528 Y551 L556 I559 | Y463-L534 HydrophobicContact CE1-CD1 4.13Å; Y463-L534 HydrophobicContact CE1-CD2 4.31Å; Y528-L534 HydrophobicContact CD2-CD2 4.31Å; Y528-L534 HydrophobicContact CE2-CD1 3.96Å; Y528-L534 HydrophobicContact CE2-CD2 3.77Å; Y528-L534 HydrophobicContact CE2-CG 4.32Å; L534-Y551 HydrophobicContact CB-CD2 3.65Å; L534-Y551 HydrophobicContact CB-CE2 4.17Å; L534-Y551 WeakPolarHBondContact O-CD2 3.42Å; L534-Y551 PolarHBondContact O-N 3.31Å; L534-L556 HydrophobicContact CB-CD2 4.02Å; L534-L556 HydrophobicContact CD1-CD2 3.87Å; L534-L556 HydrophobicContact CG-CD2 4.29Å; L534-I559 HydrophobicContact CD1-CD1 4.02Å; L534-I559 HydrophobicContact CD1-CG2 4.46Å | ||
| 535 | K | 88.4 | Confident | 84.6 | Confident | 119 Ų | 119 | 65.7 Ų | 65.7 | 52% | 0.517 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 157.5 | -179 | -60.2 | -173.7 | 179.5 | -176.9 | 0 | 111.1 | T548 K549 D550 Y551 | K535-T548 HydrophobicContact CB-CG2 3.69Å; K535-T548 HydrophobicContact CD-CG2 3.71Å; K535-T548 HydrophobicContact CG-CG2 4.24Å; K535-K549 CarbonylContact C-O 3.32Å; K535-K549 WeakPolarHBondContact CA-O 3.32Å; K535-D550 WeakPolarHBondContact CE-OD1 3.31Å; K535-D550 WeakPolarHBondContact CG-OD1 3.44Å; K535-Y551 WeakPolarHBondContact O-CE2 3.45Å |
| 536 | Y | 90.1 | Very high | 84.8 | Confident | 16 Ų | 16 | 65.7 Ų | 65.7 | 6% | 0.063 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 160.2 | 176 | 78.5 | -79.8 | 0 | 0 | 0 | 111.4 | L160 Y455 A538 T548 K549 D550 Y551 | L160-Y536 HydrophobicContact CB-CE2 4.37Å; L160-Y536 PolarHBondContact N-OH 2.85Å; Y455-Y536 AromaticContact CD1-CD2 3.86Å; Y455-Y536 HydrophobicContact CD1-CD2 3.86Å; Y455-Y536 AromaticContact CD1-CE2 3.89Å; Y455-Y536 HydrophobicContact CD1-CE2 3.89Å; Y455-Y536 HydrophobicContact CE1-CD2 4.28Å; Y455-Y536 HydrophobicContact CE1-CE2 4.07Å; Y455-Y536 HydrophobicContact CG-CD2 4.33Å; Y455-Y536 HydrophobicContact CG-CE2 4.13Å; Y536-A538 HydrophobicContact CD2-CB 4.42Å; Y536-A538 HydrophobicContact CE2-CB 3.73Å; Y536-T548 CarbonylContact O-C 3.59Å; Y536-T548 WeakPolarHBondContact O-CA 3.24Å; Y536-K549 HydrophobicContact CD1-CB 4.17Å; Y536-K549 VanDerWaalsContact CD1-O 3.28Å; Y536-K549 WeakPolarHBondContact CD1-O 3.38Å; Y536-K549 HydrophobicContact CE1-CB 3.6Å; Y536-K549 PolarHBondContact N-O 3.2Å; Y536-K549 PolarHBondContact O-N 3.43Å; Y536-D550 WeakPolarHBondContact CE1-O 3.38Å; Y536-Y551 VanDerWaalsContact CB-CZ 3.41Å; Y536-Y551 AromaticContact CD1-CD1 3.8Å; Y536-Y551 HydrophobicContact CD1-CD1 3.8Å; Y536-Y551 AromaticContact CD1-CE1 4Å; Y536-Y551 HydrophobicContact CD1-CE1 4Å; Y536-Y551 HydrophobicContact CD1-CG 4.12Å; Y536-Y551 HydrophobicContact CG-CD1 4.19Å; Y536-Y551 AromaticContact CG-CE1 3.88Å; Y536-Y551 HydrophobicContact CG-CE1 3.88Å |
| 537 | Q | 89.8 | Confident | 85 | Confident | 85 Ų | 85 | 65.1 Ų | 65.1 | 40% | 0.397 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 121.9 | 176.5 | -62 | -59.3 | -31.5 | 0 | 0 | 109.6 | Y455 L546 T548 | Y455-Q537 VanDerWaalsContact CE1-O 3.26Å; Y455-Q537 WeakPolarHBondContact CE1-O 3.46Å; Q537-L546 HydrophobicContact CB-CB 4.26Å; Q537-L546 HydrophobicContact CB-CD1 4.28Å; Q537-L546 HydrophobicContact CB-CD2 4.24Å; Q537-T548 PolarHBondContact NE2-OG1 3.08Å; Q537-T548 PolarHBondContact OE1-OG1 2.86Å |
| 538 | A | 91.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 142.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y455 Y536 L546 V547 K549 | Y455-A538 HydrophobicContact CE1-CB 4.34Å; Y536-A538 HydrophobicContact CD2-CB 4.42Å; Y536-A538 HydrophobicContact CE2-CB 3.73Å; A538-L546 CarbonylContact O-C 3.43Å; A538-L546 WeakPolarHBondContact O-CA 3.39Å; A538-V547 HydrophobicContact CB-CG2 4.35Å; A538-V547 PolarHBondContact N-O 3.18Å; A538-V547 WeakPolarHBondContact O-CG2 3.34Å; A538-V547 PolarHBondContact O-N 2.79Å; A538-K549 HydrophobicContact CB-CD 3.67Å; A538-K549 HydrophobicContact CB-CG 4.06Å |
| 539 | W | 91.4 | Very high | 85.9 | Confident | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.015 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 125.1 | 177.1 | -177.7 | -107.5 | 0 | 0 | 0 | 111.2 | E138 A142 Q146 Y150 I156 Y455 G544 L546 | E138-W539 PolarHBondContact OE1-NE1 2.87Å; A142-W539 HydrophobicContact CB-CH2 3.81Å; A142-W539 HydrophobicContact CB-CZ2 4.12Å; Q146-W539 HydrophobicContact CB-CH2 4.24Å; Y150-W539 HydrophobicContact CD1-CB 4.16Å; Y150-W539 HydrophobicContact CD1-CD2 4.11Å; Y150-W539 HydrophobicContact CD1-CE3 4.19Å; Y150-W539 HydrophobicContact CD1-CG 4.11Å; Y150-W539 AromaticContact CD2-CD2 3.68Å; Y150-W539 HydrophobicContact CD2-CD2 3.68Å; Y150-W539 AromaticContact CD2-CE2 3.98Å; Y150-W539 AromaticContact CD2-CE3 3.36Å; Y150-W539 HydrophobicContact CD2-CE3 3.36Å; Y150-W539 HydrophobicContact CD2-CG 4.48Å; Y150-W539 AromaticContact CD2-CH2 3.72Å; Y150-W539 HydrophobicContact CD2-CH2 3.72Å; Y150-W539 HydrophobicContact CD2-CZ2 4.01Å; Y150-W539 AromaticContact CD2-CZ3 3.39Å; Y150-W539 HydrophobicContact CD2-CZ3 3.39Å; Y150-W539 HydrophobicContact CE1-CB 4.5Å; Y150-W539 HydrophobicContact CE1-CE3 4.26Å; Y150-W539 HydrophobicContact CE2-CD2 4.21Å; Y150-W539 AromaticContact CE2-CE3 3.46Å; Y150-W539 HydrophobicContact CE2-CE3 3.46Å; Y150-W539 VanDerWaalsContact CE2-CE3 3.46Å; Y150-W539 HydrophobicContact CE2-CH2 4.17Å; Y150-W539 AromaticContact CE2-CZ3 3.44Å; Y150-W539 HydrophobicContact CE2-CZ3 3.44Å; Y150-W539 VanDerWaalsContact CE2-CZ3 3.44Å; Y150-W539 AromaticContact CG-CD2 3.63Å; Y150-W539 HydrophobicContact CG-CD2 3.63Å; Y150-W539 AromaticContact CG-CE2 3.99Å; Y150-W539 AromaticContact CG-CE3 3.77Å; Y150-W539 HydrophobicContact CG-CE3 3.77Å; Y150-W539 AromaticContact CG-CG 3.98Å; Y150-W539 HydrophobicContact CG-CG 3.98Å; Y150-W539 HydrophobicContact CG-CZ2 4.43Å; Y150-W539 HydrophobicContact CG-CZ3 4.23Å; Y150-W539 AromaticContact CZ-CE3 3.92Å; I156-W539 HydrophobicContact CD1-CB 4.31Å; I156-W539 HydrophobicContact CG2-CB 3.6Å; I156-W539 HydrophobicContact CG2-CG 3.78Å; Y455-W539 PolarHBondContact OH-N 3.27Å; Y455-W539 VanDerWaalsContact OH-N 3.08Å; W539-G544 WeakPolarHBondContact CH2-O 3.32Å; W539-L546 HydrophobicContact CB-CD2 4.38Å; W539-L546 HydrophobicContact CE3-CD2 4.05Å; W539-L546 HydrophobicContact CE3-CG 4.24Å |
| 540 | D | 91.7 | Very high | 86.3 | Confident | 43 Ų | 43 | 64.7 Ų | 64.7 | 23% | 0.23 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 105.4 | 171.6 | -171.7 | -16 | 0 | 0 | 0 | 110.2 | S542 Q543 G544 Q545 V547 | D540-S542 VanDerWaalsContact CG-OG 3.31Å; D540-S542 PolarHBondContact O-N 3.13Å; D540-S542 WeakPolarHBondContact OD1-CB 3.38Å; D540-S542 PolarHBondContact OD1-N 3.27Å; D540-S542 PolarHBondContact OD1-OG 2.67Å; D540-S542 PolarHBondContact OD2-OG 3.26Å; D540-Q543 PolarHBondContact O-N 3.18Å; D540-G544 PolarHBondContact O-N 3.15Å; D540-Q545 PolarHBondContact N-O 3.48Å; D540-Q545 PolarHBondContact O-N 2.78Å; D540-V547 HydrophobicContact CB-CG1 3.93Å; D540-V547 HydrophobicContact CB-CG2 3.99Å |
| 541 | A | 88.4 | Confident | 86.7 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 31% | 0.306 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -26.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E138 Q543 | E138-A541 HydrophobicContact CG-CB 4.39Å; E138-A541 WeakPolarHBondContact OE1-CB 3.38Å; A541-Q543 VanDerWaalsContact C-N 3.33Å |
| 542 | S | 88.4 | Confident | 87.5 | Confident | 71 Ų | 71 | 55.2 Ų | 55.2 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -30.6 | -179 | 71.9 | 0 | 0 | 0 | 0 | 112.4 | K141 D540 | K141-S542 VanDerWaalsContact CD-O 3.31Å; K141-S542 WeakPolarHBondContact CD-O 3.32Å; K141-S542 PolarHBondContact NZ-O 3.06Å; D540-S542 VanDerWaalsContact CG-OG 3.31Å; D540-S542 PolarHBondContact O-N 3.13Å; D540-S542 WeakPolarHBondContact OD1-CB 3.38Å; D540-S542 PolarHBondContact OD1-N 3.27Å; D540-S542 PolarHBondContact OD1-OG 2.67Å; D540-S542 PolarHBondContact OD2-OG 3.26Å |
| 543 | Q | 85.6 | Confident | 88.5 | Confident | 102 Ų | 102 | 56.6 Ų | 56.6 | 48% | 0.477 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -18.2 | 180 | -58.8 | -173.8 | 17.6 | 0 | 0 | 112.6 | D540 A541 Q545 | D540-Q543 PolarHBondContact O-N 3.18Å; A541-Q543 VanDerWaalsContact C-N 3.33Å; Q543-Q545 VanDerWaalsContact C-N 3.28Å; Q543-Q545 HydrophobicContact CB-CB 4.49Å |
| 544 | G | 85.6 | Confident | 89.5 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 30.3 | -174 | 0 | 0 | 0 | 0 | 0 | 112.5 | A142 W539 D540 | A142-G544 WeakPolarHBondContact CB-O 3.38Å; W539-G544 WeakPolarHBondContact CH2-O 3.32Å; D540-G544 PolarHBondContact O-N 3.15Å |
| 545 | Q | 86.8 | Confident | 89.9 | Confident | 116 Ų | 116 | 55.3 Ų | 55.3 | 54% | 0.542 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 159.6 | -173.8 | -66.5 | -174.2 | 4.4 | 0 | 0 | 112 | D540 Q543 | D540-Q545 PolarHBondContact N-O 3.48Å; D540-Q545 PolarHBondContact O-N 2.78Å; Q543-Q545 VanDerWaalsContact C-N 3.28Å; Q543-Q545 HydrophobicContact CB-CB 4.49Å |
| 546 | L | 87.8 | Confident | 90 | Very high | 75 Ų | 75 | 53 Ų | 53 | 39% | 0.393 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 129.1 | 171.7 | -70.4 | 171.8 | 0 | 0 | 0 | 110.1 | Y150 Q537 A538 W539 | Y150-L546 HydrophobicContact CE1-CD2 4.14Å; Y150-L546 WeakPolarHBondContact OH-CD1 3.3Å; Q537-L546 HydrophobicContact CB-CB 4.26Å; Q537-L546 HydrophobicContact CB-CD1 4.28Å; Q537-L546 HydrophobicContact CB-CD2 4.24Å; A538-L546 CarbonylContact O-C 3.43Å; A538-L546 WeakPolarHBondContact O-CA 3.39Å; W539-L546 HydrophobicContact CB-CD2 4.38Å; W539-L546 HydrophobicContact CE3-CD2 4.05Å; W539-L546 HydrophobicContact CE3-CG 4.24Å |
| 547 | V | 90.2 | Very high | 90.2 | Very high | 33 Ų | 33 | 55 Ų | 55 | 20% | 0.2 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 138.3 | 176.3 | -63.7 | 0 | 0 | 0 | 0 | 110.2 | A538 D540 K549 | A538-V547 HydrophobicContact CB-CG2 4.35Å; A538-V547 PolarHBondContact N-O 3.18Å; A538-V547 WeakPolarHBondContact O-CG2 3.34Å; A538-V547 PolarHBondContact O-N 2.79Å; D540-V547 HydrophobicContact CB-CG1 3.93Å; D540-V547 HydrophobicContact CB-CG2 3.99Å; V547-K549 HydrophobicContact CG2-CG 4.46Å |
| 548 | T | 90.8 | Very high | 90.3 | Very high | 78 Ų | 78 | 53.1 Ų | 53.1 | 48% | 0.479 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 125.4 | -179.7 | -54 | 0 | 0 | 0 | 0 | 110.6 | K535 Y536 Q537 | K535-T548 HydrophobicContact CB-CG2 3.69Å; K535-T548 HydrophobicContact CD-CG2 3.71Å; K535-T548 HydrophobicContact CG-CG2 4.24Å; Y536-T548 CarbonylContact O-C 3.59Å; Y536-T548 WeakPolarHBondContact O-CA 3.24Å; Q537-T548 PolarHBondContact NE2-OG1 3.08Å; Q537-T548 PolarHBondContact OE1-OG1 2.86Å |
| 549 | K | 91.4 | Very high | 90.3 | Very high | 73 Ų | 73 | 53.2 Ų | 53.2 | 32% | 0.317 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 155.6 | 177.6 | -65.7 | -171.7 | -177.7 | 176.3 | 0 | 111 | P158 K535 Y536 A538 V547 | P158-K549 PolarHBondContact O-NZ 3.34Å; K535-K549 CarbonylContact C-O 3.32Å; K535-K549 WeakPolarHBondContact CA-O 3.32Å; Y536-K549 HydrophobicContact CD1-CB 4.17Å; Y536-K549 VanDerWaalsContact CD1-O 3.28Å; Y536-K549 WeakPolarHBondContact CD1-O 3.38Å; Y536-K549 HydrophobicContact CE1-CB 3.6Å; Y536-K549 PolarHBondContact N-O 3.2Å; Y536-K549 PolarHBondContact O-N 3.43Å; A538-K549 HydrophobicContact CB-CD 3.67Å; A538-K549 HydrophobicContact CB-CG 4.06Å; V547-K549 HydrophobicContact CG2-CG 4.46Å |
| 550 | D | 91.6 | Very high | 90.3 | Very high | 101 Ų | 101 | 55 Ų | 55 | 54% | 0.54 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 141.9 | 175.5 | -64.9 | -46.8 | 0 | 0 | 0 | 111 | K535 Y536 | K535-D550 WeakPolarHBondContact CE-OD1 3.31Å; K535-D550 WeakPolarHBondContact CG-OD1 3.44Å; Y536-D550 WeakPolarHBondContact CE1-O 3.38Å |
| 551 | Y | 91 | Very high | 90.4 | Very high | 17 Ų | 17 | 58.7 Ų | 58.7 | 7% | 0.067 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 136.2 | 174.9 | -80.9 | -68.8 | 0 | 0 | 0 | 111.4 | L160 I459 Y463 L534 K535 Y536 A555 I559 | L160-Y551 HydrophobicContact CD2-CD1 4.07Å; L160-Y551 HydrophobicContact CD2-CE1 4.42Å; I459-Y551 HydrophobicContact CD1-CD1 4.19Å; I459-Y551 HydrophobicContact CD1-CE1 3.61Å; I459-Y551 HydrophobicContact CG1-CD1 4.45Å; I459-Y551 HydrophobicContact CG1-CE1 3.49Å; I459-Y551 VanDerWaalsContact CG1-CE1 3.49Å; Y463-Y551 HydrophobicContact CE2-CE2 4.32Å; L534-Y551 HydrophobicContact CB-CD2 3.65Å; L534-Y551 HydrophobicContact CB-CE2 4.17Å; L534-Y551 WeakPolarHBondContact O-CD2 3.42Å; L534-Y551 PolarHBondContact O-N 3.31Å; K535-Y551 WeakPolarHBondContact O-CE2 3.45Å; Y536-Y551 VanDerWaalsContact CB-CZ 3.41Å; Y536-Y551 AromaticContact CD1-CD1 3.8Å; Y536-Y551 HydrophobicContact CD1-CD1 3.8Å; Y536-Y551 AromaticContact CD1-CE1 4Å; Y536-Y551 HydrophobicContact CD1-CE1 4Å; Y536-Y551 HydrophobicContact CD1-CG 4.12Å; Y536-Y551 HydrophobicContact CG-CD1 4.19Å; Y536-Y551 AromaticContact CG-CE1 3.88Å; Y536-Y551 HydrophobicContact CG-CE1 3.88Å; Y551-A555 HydrophobicContact CD1-CB 3.97Å; Y551-I559 HydrophobicContact CD2-CD1 4.39Å; Y551-I559 HydrophobicContact CE2-CD1 4.37Å |
| 552 | P | 92.3 | Very high | 90.6 | Very high | 14 Ų | 14 | 57.3 Ų | 57.3 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 156.1 | 171.8 | 28.8 | -33.5 | 0 | 0 | 0 | 111.5 | L160 Q161 Y554 A555 L556 | L160-P552 HydrophobicContact CD2-CG 3.87Å; L160-P552 HydrophobicContact CG-CG 4.46Å; Q161-P552 HydrophobicContact CG-CB 4.31Å; Q161-P552 HydrophobicContact CG-CG 4.34Å; P552-Y554 VanDerWaalsContact C-N 3.28Å; P552-Y554 HydrophobicContact CB-CD1 3.81Å; P552-Y554 HydrophobicContact CB-CE1 3.41Å; P552-Y554 VanDerWaalsContact CB-CE1 3.41Å; P552-Y554 HydrophobicContact CG-CD1 4.02Å; P552-Y554 HydrophobicContact CG-CE1 3.36Å; P552-Y554 HydrophobicContact CG-CE2 4.06Å; P552-Y554 WeakPolarHBondContact CG-OH 3.36Å; P552-Y554 PolarHBondContact O-N 3.2Å; P552-Y554 VanDerWaalsContact O-N 3.17Å; P552-A555 HydrophobicContact CG-CB 3.86Å; P552-A555 WeakPolarHBondContact O-CB 3.33Å; P552-A555 PolarHBondContact O-N 3.03Å; P552-L556 PolarHBondContact O-N 2.98Å; P552-L556 VanDerWaalsContact O-N 3.14Å |
| 553 | A | 91.6 | Very high | 90.8 | Very high | 83 Ų | 83 | 55.2 Ų | 55.2 | 69% | 0.686 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -56.8 | -36.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | A555 L556 A557 | A553-A555 VanDerWaalsContact C-N 3.33Å; A553-A555 PolarHBondContact O-N 2.81Å; A553-L556 PolarHBondContact O-N 3.28Å; A553-A557 PolarHBondContact O-N 3.42Å |
| 554 | Y | 92 | Very high | 91.2 | Very high | 93 Ų | 93 | 52.1 Ų | 52.1 | 37% | 0.365 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.4 | -33.7 | 176.5 | 68.1 | -95.7 | 0 | 0 | 0 | 112.2 | L160 Q161 W456 P552 A557 V558 | L160-Y554 HydrophobicContact CD2-CE2 4.34Å; L160-Y554 HydrophobicContact CG-CE2 4.38Å; L160-Y554 PolarHBondContact O-OH 3.03Å; Q161-Y554 VanDerWaalsContact CA-OH 3.3Å; Q161-Y554 WeakPolarHBondContact CA-OH 3.39Å; Q161-Y554 HydrophobicContact CG-CE1 4.29Å; Q161-Y554 PolarHBondContact N-OH 3.38Å; W456-Y554 HydrophobicContact CH2-CD2 4.05Å; W456-Y554 AromaticContact CH2-CE2 3.87Å; W456-Y554 HydrophobicContact CH2-CE2 3.87Å; W456-Y554 HydrophobicContact CZ2-CD2 4.41Å; W456-Y554 AromaticContact CZ2-CE2 3.86Å; W456-Y554 HydrophobicContact CZ2-CE2 3.86Å; P552-Y554 VanDerWaalsContact C-N 3.28Å; P552-Y554 HydrophobicContact CB-CD1 3.81Å; P552-Y554 HydrophobicContact CB-CE1 3.41Å; P552-Y554 VanDerWaalsContact CB-CE1 3.41Å; P552-Y554 HydrophobicContact CG-CD1 4.02Å; P552-Y554 HydrophobicContact CG-CE1 3.36Å; P552-Y554 HydrophobicContact CG-CE2 4.06Å; P552-Y554 WeakPolarHBondContact CG-OH 3.36Å; P552-Y554 PolarHBondContact O-N 3.2Å; P552-Y554 VanDerWaalsContact O-N 3.17Å; Y554-A557 WeakPolarHBondContact O-CB 3.38Å; Y554-A557 PolarHBondContact O-N 3.48Å; Y554-V558 WeakPolarHBondContact O-CG2 3.43Å; Y554-V558 PolarHBondContact O-N 2.84Å |
| 555 | A | 92 | Very high | 91.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.5 | -39.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L160 I459 Y551 P552 A553 A557 V558 I559 | L160-A555 HydrophobicContact CD2-CB 3.47Å; L160-A555 VanDerWaalsContact CD2-CB 3.47Å; I459-A555 HydrophobicContact CD1-CB 4.2Å; Y551-A555 HydrophobicContact CD1-CB 3.97Å; P552-A555 HydrophobicContact CG-CB 3.86Å; P552-A555 WeakPolarHBondContact O-CB 3.33Å; P552-A555 PolarHBondContact O-N 3.03Å; A553-A555 VanDerWaalsContact C-N 3.33Å; A553-A555 PolarHBondContact O-N 2.81Å; A555-A557 VanDerWaalsContact C-N 3.31Å; A555-A557 PolarHBondContact O-N 3.13Å; A555-V558 PolarHBondContact O-N 2.96Å; A555-I559 WeakPolarHBondContact O-CG1 3.4Å; A555-I559 PolarHBondContact O-N 3.4Å |
| 556 | L | 91.2 | Very high | 91.8 | Very high | 72 Ų | 72 | 48.9 Ų | 48.9 | 38% | 0.377 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 171.1 | -63.7 | 176.5 | 0 | 0 | 0 | 111.8 | L534 P552 A553 V558 I559 G560 | L534-L556 HydrophobicContact CB-CD2 4.02Å; L534-L556 HydrophobicContact CD1-CD2 3.87Å; L534-L556 HydrophobicContact CG-CD2 4.29Å; P552-L556 PolarHBondContact O-N 2.98Å; P552-L556 VanDerWaalsContact O-N 3.14Å; A553-L556 PolarHBondContact O-N 3.28Å; L556-V558 VanDerWaalsContact C-N 3.34Å; L556-V558 PolarHBondContact O-N 2.95Å; L556-I559 HydrophobicContact CD2-CD1 4.4Å; L556-I559 PolarHBondContact O-N 3.32Å; L556-G560 PolarHBondContact O-N 3.01Å |
| 557 | A | 92.6 | Very high | 92.1 | Very high | 56 Ų | 56 | 45.9 Ų | 45.9 | 46% | 0.463 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | A553 Y554 A555 G560 L561 | A553-A557 PolarHBondContact O-N 3.42Å; Y554-A557 WeakPolarHBondContact O-CB 3.38Å; Y554-A557 PolarHBondContact O-N 3.48Å; A555-A557 VanDerWaalsContact C-N 3.31Å; A555-A557 PolarHBondContact O-N 3.13Å; A557-G560 PolarHBondContact O-N 3.3Å; A557-L561 WeakPolarHBondContact O-CB 3.43Å; A557-L561 PolarHBondContact O-N 3.44Å |
| 558 | V | 93.2 | Very high | 92.3 | Very high | 46 Ų | 46 | 48.6 Ų | 48.6 | 28% | 0.279 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 174.2 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | W456 Y554 A555 L556 G560 L561 L562 | W456-V558 HydrophobicContact CH2-CG2 4.18Å; W456-V558 HydrophobicContact CZ3-CB 4.1Å; W456-V558 HydrophobicContact CZ3-CG1 3.89Å; W456-V558 HydrophobicContact CZ3-CG2 4.11Å; Y554-V558 WeakPolarHBondContact O-CG2 3.43Å; Y554-V558 PolarHBondContact O-N 2.84Å; A555-V558 PolarHBondContact O-N 2.96Å; L556-V558 VanDerWaalsContact C-N 3.34Å; L556-V558 PolarHBondContact O-N 2.95Å; V558-G560 VanDerWaalsContact C-N 3.33Å; V558-G560 PolarHBondContact O-N 2.87Å; V558-L561 PolarHBondContact O-N 2.84Å; V558-L562 WeakPolarHBondContact O-CB 3.28Å; V558-L562 PolarHBondContact O-N 3.49Å |
| 559 | I | 91.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.015 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.1 | -47.9 | 174.6 | -69.9 | 163.8 | 0 | 0 | 0 | 110.4 | I459 Y463 L534 Y551 A555 L556 L561 L562 V563 | I459-I559 HydrophobicContact CG2-CD1 4.42Å; I459-I559 HydrophobicContact CG2-CG1 3.67Å; Y463-I559 HydrophobicContact CD1-CG2 4.11Å; Y463-I559 HydrophobicContact CD2-CD1 3.96Å; Y463-I559 HydrophobicContact CD2-CG1 3.95Å; Y463-I559 HydrophobicContact CD2-CG2 4.3Å; Y463-I559 HydrophobicContact CE2-CD1 3.9Å; Y463-I559 HydrophobicContact CE2-CG1 4.42Å; Y463-I559 HydrophobicContact CG-CG1 4.36Å; Y463-I559 HydrophobicContact CG-CG2 3.89Å; L534-I559 HydrophobicContact CD1-CD1 4.02Å; L534-I559 HydrophobicContact CD1-CG2 4.46Å; Y551-I559 HydrophobicContact CD2-CD1 4.39Å; Y551-I559 HydrophobicContact CE2-CD1 4.37Å; A555-I559 WeakPolarHBondContact O-CG1 3.4Å; A555-I559 PolarHBondContact O-N 3.4Å; L556-I559 HydrophobicContact CD2-CD1 4.4Å; L556-I559 PolarHBondContact O-N 3.32Å; I559-L561 PolarHBondContact O-N 3.37Å; I559-L562 PolarHBondContact O-N 3.06Å; I559-V563 WeakPolarHBondContact O-CG2 3.34Å; I559-V563 PolarHBondContact O-N 3.35Å; I559-V563 VanDerWaalsContact O-N 3.08Å |
| 560 | G | 91.4 | Very high | 92.6 | Very high | 42 Ų | 42 | 43.4 Ų | 43.4 | 43% | 0.433 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L556 A557 V558 A564 | L556-G560 PolarHBondContact O-N 3.01Å; A557-G560 PolarHBondContact O-N 3.3Å; V558-G560 VanDerWaalsContact C-N 3.33Å; V558-G560 PolarHBondContact O-N 2.87Å; G560-A564 WeakPolarHBondContact O-CB 3.34Å; G560-A564 PolarHBondContact O-N 3.37Å |
| 561 | L | 93.6 | Very high | 92.8 | Very high | 120 Ų | 120 | 41.7 Ų | 41.7 | 63% | 0.628 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.7 | -43.1 | 177 | -93.4 | 157.1 | 0 | 0 | 0 | 112.7 | A557 V558 I559 A564 S565 | A557-L561 WeakPolarHBondContact O-CB 3.43Å; A557-L561 PolarHBondContact O-N 3.44Å; V558-L561 PolarHBondContact O-N 2.84Å; I559-L561 PolarHBondContact O-N 3.37Å; L561-A564 PolarHBondContact O-N 3.21Å; L561-S565 WeakPolarHBondContact O-CB 3.41Å; L561-S565 PolarHBondContact O-N 3.03Å; L561-S565 PolarHBondContact O-OG 2.9Å |
| 562 | L | 92.5 | Very high | 93 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 179.3 | -178.1 | 103.9 | 0 | 0 | 0 | 110.7 | F97 F460 A464 V558 I559 S565 S566 | F97-L562 HydrophobicContact CD2-CD1 4.24Å; F97-L562 HydrophobicContact CD2-CG 4.47Å; F97-L562 HydrophobicContact CE2-CD1 4.3Å; F97-L562 HydrophobicContact CE2-CG 4.37Å; F97-L562 HydrophobicContact CG-CD1 4.43Å; F460-L562 HydrophobicContact CD1-CD1 3.72Å; F460-L562 HydrophobicContact CD2-CD1 4.21Å; F460-L562 HydrophobicContact CE1-CD1 3.49Å; F460-L562 VanDerWaalsContact CE1-CD1 3.49Å; F460-L562 HydrophobicContact CE2-CD1 4.02Å; F460-L562 HydrophobicContact CG-CD1 4.09Å; F460-L562 HydrophobicContact CZ-CD1 3.65Å; A464-L562 HydrophobicContact CB-CD1 4.01Å; A464-L562 HydrophobicContact CB-CD2 3.64Å; A464-L562 HydrophobicContact CB-CG 3.96Å; A464-L562 VanDerWaalsContact N-CD2 3.35Å; V558-L562 WeakPolarHBondContact O-CB 3.28Å; V558-L562 PolarHBondContact O-N 3.49Å; I559-L562 PolarHBondContact O-N 3.06Å; L562-S565 PolarHBondContact O-OG 2.97Å; L562-S566 PolarHBondContact O-OG 3.36Å |
| 563 | V | 91.6 | Very high | 93.1 | Very high | 27 Ų | 27 | 47.2 Ų | 47.2 | 16% | 0.164 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.1 | -45.4 | 175.7 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | L467 I559 S565 S566 T567 | L467-V563 HydrophobicContact CD2-CG1 3.63Å; I559-V563 WeakPolarHBondContact O-CG2 3.34Å; I559-V563 PolarHBondContact O-N 3.35Å; I559-V563 VanDerWaalsContact O-N 3.08Å; V563-S565 PolarHBondContact O-N 2.99Å; V563-S566 PolarHBondContact O-N 2.87Å; V563-S566 PolarHBondContact O-OG 3.49Å; V563-S566 VanDerWaalsContact O-OG 3.12Å; V563-T567 HydrophobicContact CG1-CG2 4.25Å; V563-T567 WeakPolarHBondContact O-CB 3.35Å; V563-T567 WeakPolarHBondContact O-CG2 3.42Å; V563-T567 PolarHBondContact O-N 2.85Å; V563-T567 PolarHBondContact O-OG1 3.46Å |
| 564 | A | 93.4 | Very high | 93.2 | Very high | 37 Ų | 37 | 44.7 Ų | 44.7 | 31% | 0.306 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G560 L561 S566 T567 M568 | G560-A564 WeakPolarHBondContact O-CB 3.34Å; G560-A564 PolarHBondContact O-N 3.37Å; L561-A564 PolarHBondContact O-N 3.21Å; A564-S566 PolarHBondContact O-N 2.83Å; A564-T567 PolarHBondContact O-N 3.08Å; A564-M568 HydrophobicContact CB-CG 4.26Å; A564-M568 WeakPolarHBondContact O-CB 3.42Å; A564-M568 VanDerWaalsContact O-CG 3.29Å; A564-M568 WeakPolarHBondContact O-CG 3.5Å; A564-M568 PolarHBondContact O-N 3.43Å |
| 565 | S | 94 | Very high | 93.3 | Very high | 49 Ų | 49 | 45.2 Ų | 45.2 | 34% | 0.343 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.7 | -27.7 | -176.9 | 68.6 | 0 | 0 | 0 | 0 | 113.5 | F97 L561 L562 V563 C569 | F97-S565 WeakPolarHBondContact CE2-OG 3.25Å; F97-S565 VanDerWaalsContact CZ-OG 3.28Å; F97-S565 WeakPolarHBondContact CZ-OG 3.21Å; L561-S565 WeakPolarHBondContact O-CB 3.41Å; L561-S565 PolarHBondContact O-N 3.03Å; L561-S565 PolarHBondContact O-OG 2.9Å; L562-S565 PolarHBondContact O-OG 2.97Å; V563-S565 PolarHBondContact O-N 2.99Å; S565-C569 PolarHBondContact O-SG 3.28Å |
| 566 | S | 92.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -94.6 | -45.8 | 176.7 | 45.9 | 0 | 0 | 0 | 0 | 111.8 | A90 S468 L562 V563 A564 | A90-S566 WeakPolarHBondContact CB-O 3.32Å; S468-S566 WeakPolarHBondContact CB-OG 3.39Å; S468-S566 PolarHBondContact OG-OG 2.68Å; L562-S566 PolarHBondContact O-OG 3.36Å; V563-S566 PolarHBondContact O-N 2.87Å; V563-S566 PolarHBondContact O-OG 3.49Å; V563-S566 VanDerWaalsContact O-OG 3.12Å; A564-S566 PolarHBondContact O-N 2.83Å |
| 567 | T | 92.3 | Very high | 93.3 | Very high | 12 Ų | 12 | 44.9 Ų | 44.9 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.1 | -36.6 | -176.5 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | L471 V563 A564 C569 P571 | L471-T567 HydrophobicContact CD2-CG2 3.79Å; V563-T567 HydrophobicContact CG1-CG2 4.25Å; V563-T567 WeakPolarHBondContact O-CB 3.35Å; V563-T567 WeakPolarHBondContact O-CG2 3.42Å; V563-T567 PolarHBondContact O-N 2.85Å; V563-T567 PolarHBondContact O-OG1 3.46Å; A564-T567 PolarHBondContact O-N 3.08Å; T567-C569 VanDerWaalsContact C-N 3.28Å; T567-C569 PolarHBondContact O-N 3.39Å; T567-P571 VanDerWaalsContact O-CD 3.29Å; T567-P571 WeakPolarHBondContact O-CD 3.43Å |
| 568 | M | 94.6 | Very high | 93.3 | Very high | 89 Ų | 89 | 46.9 Ų | 46.9 | 44% | 0.438 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -14.8 | -178 | -64.3 | -63.9 | 105.9 | 0 | 0 | 113.4 | A564 I570 P571 L572 | A564-M568 HydrophobicContact CB-CG 4.26Å; A564-M568 WeakPolarHBondContact O-CB 3.42Å; A564-M568 VanDerWaalsContact O-CG 3.29Å; A564-M568 WeakPolarHBondContact O-CG 3.5Å; A564-M568 PolarHBondContact O-N 3.43Å; M568-I570 PolarHBondContact O-N 3.15Å; M568-P571 HydrophobicContact CE-CG 4.44Å; M568-P571 VanDerWaalsContact O-CD 3.27Å; M568-P571 WeakPolarHBondContact O-CD 3.26Å; M568-P571 WeakPolarHBondContact O-CG 3.24Å; M568-P571 HydrophobicContact SD-CG 4.19Å; M568-L572 HydrophobicContact CB-CD1 3.89Å; M568-L572 HydrophobicContact CB-CG 4.29Å; M568-L572 VanDerWaalsContact O-CB 3.22Å; M568-L572 WeakPolarHBondContact O-CB 3.2Å; M568-L572 WeakPolarHBondContact O-CG 3.24Å; M568-L572 PolarHBondContact O-N 2.62Å |
| 569 | C | 94.8 | Very high | 93.3 | Very high | 21 Ų | 21 | 47.9 Ų | 47.9 | 14% | 0.142 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.5 | -37.2 | 173.7 | -69.9 | 0 | 0 | 0 | 0 | 112.3 | G86 I89 A90 S565 T567 V573 | G86-C569 WeakPolarHBondContact CA-O 3.34Å; I89-C569 HydrophobicContact CB-CB 4.41Å; I89-C569 HydrophobicContact CG2-CB 4.15Å; A90-C569 HydrophobicContact CB-CB 4.03Å; S565-C569 PolarHBondContact O-SG 3.28Å; T567-C569 VanDerWaalsContact C-N 3.28Å; T567-C569 PolarHBondContact O-N 3.39Å; C569-V573 VanDerWaalsContact O-CB 3.29Å; C569-V573 WeakPolarHBondContact O-CB 3.19Å; C569-V573 WeakPolarHBondContact O-CG2 3.36Å; C569-V573 PolarHBondContact O-N 3.31Å |
| 570 | I | 94.8 | Very high | 93.2 | Very high | 21 Ų | 21 | 53 Ų | 53 | 11% | 0.108 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.3 | -60.8 | -178.5 | -59.4 | 170.5 | 0 | 0 | 0 | 111.1 | V87 A90 L471 I472 V475 M568 A574 | V87-I570 HydrophobicContact CG2-CD1 4.45Å; V87-I570 HydrophobicContact CG2-CG1 4.23Å; V87-I570 HydrophobicContact CG2-CG2 4.43Å; A90-I570 HydrophobicContact CB-CG1 4.22Å; L471-I570 HydrophobicContact CD2-CD1 4.22Å; L471-I570 HydrophobicContact CG-CD1 4.13Å; I472-I570 HydrophobicContact CG1-CD1 4.33Å; V475-I570 HydrophobicContact CB-CD1 4.46Å; V475-I570 HydrophobicContact CG1-CG2 4.23Å; V475-I570 HydrophobicContact CG2-CD1 4.22Å; V475-I570 HydrophobicContact CG2-CG2 4.46Å; M568-I570 PolarHBondContact O-N 3.15Å; I570-A574 PolarHBondContact O-N 3.32Å |
| 571 | P | 95.4 | Very high | 93 | Very high | 66 Ų | 66 | 55 Ų | 55 | 43% | 0.429 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68 | -37.5 | -179 | 26.3 | -35.6 | 0 | 0 | 0 | 113.4 | T567 M568 V573 A574 L575 | T567-P571 VanDerWaalsContact O-CD 3.29Å; T567-P571 WeakPolarHBondContact O-CD 3.43Å; M568-P571 HydrophobicContact CE-CG 4.44Å; M568-P571 VanDerWaalsContact O-CD 3.27Å; M568-P571 WeakPolarHBondContact O-CD 3.26Å; M568-P571 WeakPolarHBondContact O-CG 3.24Å; M568-P571 HydrophobicContact SD-CG 4.19Å; P571-V573 PolarHBondContact O-N 2.93Å; P571-A574 PolarHBondContact O-N 2.97Å; P571-L575 WeakPolarHBondContact O-CB 3.29Å; P571-L575 PolarHBondContact O-N 3.13Å |
| 572 | L | 94.8 | Very high | 92.7 | Very high | 113 Ų | 113 | 53.9 Ų | 53.9 | 59% | 0.592 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.1 | -40.3 | -178 | -70.4 | 174.5 | 0 | 0 | 0 | 112.1 | M568 L575 G576 | M568-L572 HydrophobicContact CB-CD1 3.89Å; M568-L572 HydrophobicContact CB-CG 4.29Å; M568-L572 VanDerWaalsContact O-CB 3.22Å; M568-L572 WeakPolarHBondContact O-CB 3.2Å; M568-L572 WeakPolarHBondContact O-CG 3.24Å; M568-L572 PolarHBondContact O-N 2.62Å; L572-L575 PolarHBondContact O-N 2.74Å; L572-G576 PolarHBondContact O-N 3.47Å |
| 573 | V | 94.3 | Very high | 92.4 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 20% | 0.2 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.8 | -37.6 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | S85 I89 C569 P571 G576 T577 | S85-V573 WeakPolarHBondContact OG-CG1 3.38Å; I89-V573 HydrophobicContact CD1-CG2 3.93Å; C569-V573 VanDerWaalsContact O-CB 3.29Å; C569-V573 WeakPolarHBondContact O-CB 3.19Å; C569-V573 WeakPolarHBondContact O-CG2 3.36Å; C569-V573 PolarHBondContact O-N 3.31Å; P571-V573 PolarHBondContact O-N 2.93Å; V573-G576 PolarHBondContact O-N 3.12Å; V573-T577 VanDerWaalsContact O-CB 3.31Å; V573-T577 WeakPolarHBondContact O-CB 3.31Å; V573-T577 PolarHBondContact O-N 2.79Å; V573-T577 PolarHBondContact O-OG1 3.26Å |
| 574 | A | 93.6 | Very high | 91.9 | Very high | 31 Ų | 31 | 64.6 Ų | 64.6 | 26% | 0.256 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y83 I570 P571 T577 F578 | Y83-A574 WeakPolarHBondContact CD1-O 3.29Å; I570-A574 PolarHBondContact O-N 3.32Å; P571-A574 PolarHBondContact O-N 2.97Å; A574-T577 PolarHBondContact O-N 3.49Å; A574-F578 WeakPolarHBondContact O-CB 3.41Å; A574-F578 PolarHBondContact O-N 3.3Å |
| 575 | L | 94 | Very high | 90.9 | Very high | 104 Ų | 104 | 70.9 Ų | 70.9 | 55% | 0.545 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 177 | -177.2 | 66.3 | 0 | 0 | 0 | 111.8 | P571 L572 T577 F578 V579 | P571-L575 WeakPolarHBondContact O-CB 3.29Å; P571-L575 PolarHBondContact O-N 3.13Å; L572-L575 PolarHBondContact O-N 2.74Å; L575-T577 VanDerWaalsContact C-N 3.31Å; L575-T577 PolarHBondContact O-N 3.39Å; L575-F578 WeakPolarHBondContact O-CB 2.97Å; L575-F578 PolarHBondContact O-N 3.37Å; L575-V579 HydrophobicContact CD1-CG2 4.48Å; L575-V579 WeakPolarHBondContact O-CG2 3.37Å; L575-V579 PolarHBondContact O-N 2.98Å |
| 576 | G | 92.5 | Very high | 89.4 | Confident | 32 Ų | 32 | 71.2 Ų | 71.2 | 33% | 0.33 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L572 V573 V579 L580 | L572-G576 PolarHBondContact O-N 3.47Å; V573-G576 PolarHBondContact O-N 3.12Å; G576-V579 PolarHBondContact O-N 2.99Å; G576-L580 WeakPolarHBondContact O-CB 3.45Å; G576-L580 VanDerWaalsContact O-CG 3.25Å; G576-L580 WeakPolarHBondContact O-CG 3.3Å; G576-L580 PolarHBondContact O-N 3.28Å |
| 577 | T | 91.8 | Very high | 87.8 | Confident | 33 Ų | 33 | 78 Ų | 78 | 20% | 0.202 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 175.2 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | P82 Y83 V573 A574 L575 L580 H581 | P82-T577 HydrophobicContact CB-CG2 4.15Å; Y83-T577 HydrophobicContact CD1-CG2 3.92Å; Y83-T577 HydrophobicContact CE1-CG2 3.89Å; Y83-T577 HydrophobicContact CG-CG2 4.29Å; V573-T577 VanDerWaalsContact O-CB 3.31Å; V573-T577 WeakPolarHBondContact O-CB 3.31Å; V573-T577 PolarHBondContact O-N 2.79Å; V573-T577 PolarHBondContact O-OG1 3.26Å; A574-T577 PolarHBondContact O-N 3.49Å; L575-T577 VanDerWaalsContact C-N 3.31Å; L575-T577 PolarHBondContact O-N 3.39Å; T577-L580 PolarHBondContact O-N 2.91Å; T577-H581 WeakPolarHBondContact O-CB 3.34Å; T577-H581 PolarHBondContact O-N 3.4Å |
| 578 | F | 92.5 | Very high | 86 | Confident | 97 Ų | 97 | 80.9 Ų | 80.9 | 43% | 0.425 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.4 | -50.4 | 176.3 | 179.7 | -100.7 | 0 | 0 | 0 | 111.7 | Y83 A574 L575 L580 H581 H582 | Y83-F578 HydrophobicContact CE1-CB 3.9Å; A574-F578 WeakPolarHBondContact O-CB 3.41Å; A574-F578 PolarHBondContact O-N 3.3Å; L575-F578 WeakPolarHBondContact O-CB 2.97Å; L575-F578 PolarHBondContact O-N 3.37Å; F578-L580 PolarHBondContact O-N 2.65Å; F578-H581 PolarHBondContact O-N 3.02Å; F578-H582 AromaticContact CD1-CD2 3.96Å; F578-H582 AromaticContact CD2-CD2 3.93Å; F578-H582 AromaticContact CE1-CD2 3.53Å; F578-H582 AromaticContact CE1-NE2 3.85Å; F578-H582 AromaticContact CE2-CD2 3.5Å; F578-H582 AromaticContact CE2-NE2 3.33Å; F578-H582 VanDerWaalsContact CE2-NE2 3.33Å; F578-H582 WeakPolarHBondContact CE2-NE2 3.12Å; F578-H582 AromaticContact CZ-CD2 3.29Å; F578-H582 WeakPolarHBondContact CZ-CD2 3.36Å; F578-H582 AromaticContact CZ-NE2 3.13Å; F578-H582 WeakPolarHBondContact CZ-NE2 3.39Å; F578-H582 PolarHBondContact O-CD2 3.41Å; F578-H582 PolarHBondContact O-N 2.85Å |
| 579 | V | 92.1 | Very high | 83.7 | Confident | 68 Ų | 68 | 80.1 Ų | 80.1 | 41% | 0.412 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 178.8 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | L575 G576 H581 H582 L583 | L575-V579 HydrophobicContact CD1-CG2 4.48Å; L575-V579 WeakPolarHBondContact O-CG2 3.37Å; L575-V579 PolarHBondContact O-N 2.98Å; G576-V579 PolarHBondContact O-N 2.99Å; V579-H581 VanDerWaalsContact C-N 3.28Å; V579-H581 PolarHBondContact O-N 3.31Å; V579-H582 PolarHBondContact O-N 3.47Å; V579-H582 VanDerWaalsContact O-N 3.17Å; V579-L583 HydrophobicContact CG1-CD1 3.85Å; V579-L583 HydrophobicContact CG1-CG 4.27Å; V579-L583 WeakPolarHBondContact O-CG 3.46Å; V579-L583 PolarHBondContact O-N 2.95Å |
| 580 | L | 89.9 | Confident | 81.5 | Confident | 109 Ų | 109 | 84.8 Ų | 84.8 | 57% | 0.571 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.6 | -35.9 | 177.4 | -73.5 | 170.2 | 0 | 0 | 0 | 112.7 | G576 T577 F578 K584 | G576-L580 WeakPolarHBondContact O-CB 3.45Å; G576-L580 VanDerWaalsContact O-CG 3.25Å; G576-L580 WeakPolarHBondContact O-CG 3.3Å; G576-L580 PolarHBondContact O-N 3.28Å; T577-L580 PolarHBondContact O-N 2.91Å; F578-L580 PolarHBondContact O-N 2.65Å; L580-K584 WeakPolarHBondContact O-CB 3.09Å; L580-K584 WeakPolarHBondContact O-CG 3.49Å; L580-K584 PolarHBondContact O-N 2.04Å; L580-K584 VanDerWaalsContact O-N 3.13Å |
| 581 | H | 88.3 | Confident | 79.3 | Confident | 84 Ų | 84 | 91 Ų | 91 | 39% | 0.389 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.6 | -38.8 | 176.2 | -160.5 | 78.5 | 0 | 0 | 0 | 111.7 | T577 F578 V579 R585 | T577-H581 WeakPolarHBondContact O-CB 3.34Å; T577-H581 PolarHBondContact O-N 3.4Å; F578-H581 PolarHBondContact O-N 3.02Å; V579-H581 VanDerWaalsContact C-N 3.28Å; V579-H581 PolarHBondContact O-N 3.31Å; H581-R585 PolarHBondContact NE2-NE 2.99Å; H581-R585 PolarHBondContact O-N 3.42Å; H581-R585 VanDerWaalsContact O-N 3.14Å |
| 582 | H | 86.3 | Confident | 76.8 | Confident | 97 Ų | 97 | 95.4 Ų | 95.4 | 45% | 0.449 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.5 | -42.7 | 175.4 | -93 | -78 | 0 | 0 | 0 | 112.8 | F578 V579 R585 G586 | F578-H582 AromaticContact CD1-CD2 3.96Å; F578-H582 AromaticContact CD2-CD2 3.93Å; F578-H582 AromaticContact CE1-CD2 3.53Å; F578-H582 AromaticContact CE1-NE2 3.85Å; F578-H582 AromaticContact CE2-CD2 3.5Å; F578-H582 AromaticContact CE2-NE2 3.33Å; F578-H582 VanDerWaalsContact CE2-NE2 3.33Å; F578-H582 WeakPolarHBondContact CE2-NE2 3.12Å; F578-H582 AromaticContact CZ-CD2 3.29Å; F578-H582 WeakPolarHBondContact CZ-CD2 3.36Å; F578-H582 AromaticContact CZ-NE2 3.13Å; F578-H582 WeakPolarHBondContact CZ-NE2 3.39Å; F578-H582 PolarHBondContact O-CD2 3.41Å; F578-H582 PolarHBondContact O-N 2.85Å; V579-H582 PolarHBondContact O-N 3.47Å; V579-H582 VanDerWaalsContact O-N 3.17Å; H582-R585 PolarHBondContact O-N 3.2Å; H582-G586 PolarHBondContact O-N 3.36Å |
| 583 | L | 86.1 | Confident | 75.9 | Confident | 102 Ų | 102 | 94.6 Ų | 94.6 | 53% | 0.534 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.8 | -45.3 | 176.3 | -70.8 | 171.5 | 0 | 0 | 0 | 111.5 | V579 R585 G586 D587 | V579-L583 HydrophobicContact CG1-CD1 3.85Å; V579-L583 HydrophobicContact CG1-CG 4.27Å; V579-L583 WeakPolarHBondContact O-CG 3.46Å; V579-L583 PolarHBondContact O-N 2.95Å; L583-R585 VanDerWaalsContact C-N 3.27Å; L583-R585 PolarHBondContact O-N 3.2Å; L583-G586 PolarHBondContact O-N 2.98Å; L583-D587 PolarHBondContact O-N 2.83Å |
| 584 | K | 82 | Confident | 74.9 | Confident | 159 Ų | 159 | 97.8 Ų | 97.8 | 69% | 0.691 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.6 | -29.4 | 175.8 | -75.5 | -176.4 | 178.5 | -173.6 | 0 | 113.9 | L580 | L580-K584 WeakPolarHBondContact O-CB 3.09Å; L580-K584 WeakPolarHBondContact O-CG 3.49Å; L580-K584 PolarHBondContact O-N 2.04Å; L580-K584 VanDerWaalsContact O-N 3.13Å |
| 585 | R | 72.8 | Confident | 73.8 | Confident | 168 Ų | 168 | 101.5 Ų | 101.5 | 63% | 0.634 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -76.3 | -31.1 | 172.3 | -80.2 | -176.2 | 175.7 | -169.8 | -3.1 | 112.3 | H581 H582 L583 A588 | H581-R585 PolarHBondContact NE2-NE 2.99Å; H581-R585 PolarHBondContact O-N 3.42Å; H581-R585 VanDerWaalsContact O-N 3.14Å; H582-R585 PolarHBondContact O-N 3.2Å; L583-R585 VanDerWaalsContact C-N 3.27Å; L583-R585 PolarHBondContact O-N 3.2Å; R585-A588 PolarHBondContact O-N 2.75Å |
| 586 | G | 61.9 | Low | 72.7 | Confident | 57 Ų | 57 | 101.4 Ų | 101.4 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.1 | -35.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | H582 L583 A588 | H582-G586 PolarHBondContact O-N 3.36Å; L583-G586 PolarHBondContact O-N 2.98Å; G586-A588 VanDerWaalsContact C-N 3.26Å; G586-A588 PolarHBondContact O-N 3.08Å |
| 587 | D | 58.1 | Low | 71.4 | Confident | 143 Ų | 143 | 105.7 Ų | 105.7 | 77% | 0.765 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -73.8 | -17.3 | 174.5 | -69.3 | -26.5 | 0 | 0 | 0 | 113 | L583 A589 | L583-D587 PolarHBondContact O-N 2.83Å; D587-A589 VanDerWaalsContact C-N 3.27Å; D587-A589 PolarHBondContact O-N 3.25Å; D587-A589 VanDerWaalsContact O-N 3.16Å |
| 588 | A | 54.6 | Low | 70.1 | Confident | 72 Ų | 72 | 110.5 Ų | 110.5 | 60% | 0.595 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -85.4 | 67.6 | 169 | 0 | 0 | 0 | 0 | 0 | 109.9 | R585 G586 | R585-A588 PolarHBondContact O-N 2.75Å; G586-A588 VanDerWaalsContact C-N 3.26Å; G586-A588 PolarHBondContact O-N 3.08Å |
| 589 | A | 47 | Very low | 68.5 | Low | 73 Ų | 73 | 111.5 Ų | 111.5 | 60% | 0.603 | 66% | 0.66 | S | S | * | * | trans | -57 | 143.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | D587 V591 | D587-A589 VanDerWaalsContact C-N 3.27Å; D587-A589 PolarHBondContact O-N 3.25Å; D587-A589 VanDerWaalsContact O-N 3.16Å; A589-V591 PolarHBondContact O-N 2.81Å; A589-V591 VanDerWaalsContact O-N 3.14Å | ||
| 590 | P | 48.9 | Very low | 66.6 | Low | 119 Ų | 119 | 114.8 Ų | 114.8 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | trans | -64.5 | 120.4 | 179.9 | 29.3 | -33.7 | 0 | 0 | 0 | 108 | A592 | P590-A592 PolarHBondContact O-N 3Š| ||
| 591 | V | 48.5 | Very low | 64.7 | Low | 150 Ų | 150 | 115.3 Ų | 115.3 | 91% | 0.909 | 69% | 0.688 | S | S | * | * | trans | -64.8 | 96.2 | 162.7 | -178.4 | 0 | 0 | 0 | 0 | 105.4 | A589 | A589-V591 PolarHBondContact O-N 2.81Å; A589-V591 VanDerWaalsContact O-N 3.14Å | ||
| 592 | A | 41.9 | Very low | 62.6 | Low | 160 Ų | 160 | 118.2 Ų | 118.2 | 100% | 1.322 | 72% | 0.715 | S | S | * | * | trans | -76.9 | 0 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P590 | P590-A592 PolarHBondContact O-N 3Š|
Retrieved 592 of 592 residues in 197.7 ms
(Link to these results)