| 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 | 85.6 | Confident | 85.2 | Confident | 57 Ų | 57 | 83.2 Ų | 83.2 | 28% | 0.281 | 36% | 0.357 | S | S | . | . | 0 | 165 | 0 | -56.7 | -63.1 | -81.2 | 0 | 0 | 111.5 | R3 D4 R5 V42 K103 | M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.32Å; M1-D4 WeakPolarHBondContact CA-OD2 3.22Å; M1-D4 WeakPolarHBondContact CB-OD2 3.4Å; M1-D4 WeakPolarHBondContact CG-OD2 3.34Å; M1-D4 PolarHBondContact N-OD2 3.35Å; M1-D4 WeakPolarHBondContact O-CB 3.34Å; M1-D4 PolarHBondContact O-N 3.35Å; M1-D4 VanDerWaalsContact O-N 3.13Å; M1-R5 PolarHBondContact O-N 2.87Å; M1-R5 VanDerWaalsContact O-N 3.1Å; M1-V42 HydrophobicContact SD-CG2 4.47Å; M1-K103 CarbonylContact C-O 3.48Å; M1-K103 VanDerWaalsContact CA-O 3.28Å; M1-K103 WeakPolarHBondContact CA-O 3.25Å | |||
| 2 | L | 85.6 | Confident | 85.3 | Confident | 16 Ų | 16 | 83.4 Ų | 83.4 | 8% | 0.084 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.2 | -41.4 | 174.7 | -76.2 | 174.3 | 0 | 0 | 0 | 112.7 | D4 R5 L6 K103 M170 Y172 D173 | L2-D4 VanDerWaalsContact C-N 3.33Å; L2-D4 PolarHBondContact O-N 2.78Å; L2-R5 WeakPolarHBondContact O-CB 3.2Å; L2-R5 PolarHBondContact O-N 3.42Å; L2-L6 PolarHBondContact O-N 3.26Å; L2-K103 HydrophobicContact CG-CB 4.42Å; L2-K103 PolarHBondContact N-O 3.28Å; L2-M170 HydrophobicContact CB-CE 4.1Å; L2-M170 WeakPolarHBondContact CB-O 3.49Å; L2-M170 WeakPolarHBondContact O-CE 3.35Å; L2-Y172 WeakPolarHBondContact CD1-O 3.47Å; L2-D173 HydrophobicContact CD1-CB 3.76Å |
| 3 | R | 85.6 | Confident | 85.3 | Confident | 120 Ų | 120 | 86.3 Ų | 86.3 | 45% | 0.453 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 173.6 | -71.2 | -177.1 | 169 | 176.5 | -5 | 112.5 | M1 L6 R7 D166 M170 | M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.32Å; R3-L6 PolarHBondContact O-N 2.75Å; R3-R7 PolarHBondContact O-N 3.26Å; R3-R7 VanDerWaalsContact O-N 3.1Å; R3-D166 IonicContact CZ-OD2 2.66Å; R3-D166 IonicContact NE-OD2 3.3Å; R3-D166 IonicContact NH2-OD2 2.82Å; R3-D166 PolarHBondContact NH2-OD2 3.2Å; R3-M170 HydrophobicContact CG-CB 3.93Å |
| 4 | D | 84.9 | Confident | 85.3 | Confident | 28 Ų | 28 | 82.6 Ų | 82.6 | 15% | 0.15 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 178.1 | -53.4 | -44.2 | 0 | 0 | 0 | 111.2 | M1 L2 L6 R7 F8 A38 | M1-D4 WeakPolarHBondContact CA-OD2 3.22Å; M1-D4 WeakPolarHBondContact CB-OD2 3.4Å; M1-D4 WeakPolarHBondContact CG-OD2 3.34Å; M1-D4 PolarHBondContact N-OD2 3.35Å; M1-D4 WeakPolarHBondContact O-CB 3.34Å; M1-D4 PolarHBondContact O-N 3.35Å; M1-D4 VanDerWaalsContact O-N 3.13Å; L2-D4 VanDerWaalsContact C-N 3.33Å; L2-D4 PolarHBondContact O-N 2.78Å; D4-L6 VanDerWaalsContact C-N 3.27Å; D4-L6 PolarHBondContact O-N 3.16Å; D4-R7 WeakPolarHBondContact O-CB 3.11Å; D4-R7 PolarHBondContact O-N 2.8Å; D4-R7 VanDerWaalsContact O-N 3.15Å; D4-F8 HydrophobicContact CB-CD2 4.02Å; D4-F8 HydrophobicContact CB-CE2 3.57Å; D4-F8 HydrophobicContact CB-CZ 4.14Å; D4-F8 WeakPolarHBondContact O-CB 3.34Å; D4-F8 WeakPolarHBondContact O-CD2 3.32Å; D4-F8 WeakPolarHBondContact O-CG 3.23Å; D4-F8 PolarHBondContact O-N 3.25Å; D4-A38 HydrophobicContact CB-CB 4.31Å |
| 5 | R | 83.1 | Confident | 85.4 | Confident | 182 Ų | 182 | 77.4 Ų | 77.4 | 69% | 0.687 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -55 | -43.6 | 177.5 | -174.6 | -177.8 | -179.4 | -175.5 | 1.4 | 111.7 | M1 L2 S9 | M1-R5 PolarHBondContact O-N 2.87Å; M1-R5 VanDerWaalsContact O-N 3.1Å; L2-R5 WeakPolarHBondContact O-CB 3.2Å; L2-R5 PolarHBondContact O-N 3.42Å; R5-S9 WeakPolarHBondContact O-CB 3.41Å; R5-S9 PolarHBondContact O-N 2.63Å |
| 6 | L | 80.7 | Confident | 85.1 | Confident | 52 Ų | 52 | 82.8 Ų | 82.8 | 27% | 0.272 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -71.4 | -39.6 | 179.7 | -170.1 | 135.1 | 0 | 0 | 0 | 112 | L2 R3 D4 S9 R10 L168 M170 | L2-L6 PolarHBondContact O-N 3.26Å; R3-L6 PolarHBondContact O-N 2.75Å; D4-L6 VanDerWaalsContact C-N 3.27Å; D4-L6 PolarHBondContact O-N 3.16Å; L6-S9 PolarHBondContact O-N 2.86Å; L6-R10 WeakPolarHBondContact O-CG 3.45Å; L6-R10 PolarHBondContact O-N 3.4Å; L6-R10 VanDerWaalsContact O-N 3.1Å; L6-L168 HydrophobicContact CD1-CD1 4.11Å; L6-M170 HydrophobicContact CB-CE 4.13Å; L6-M170 HydrophobicContact CD1-CE 4.07Å; L6-M170 HydrophobicContact CD1-CG 4.35Å; L6-M170 HydrophobicContact CD1-SD 4.2Å |
| 7 | R | 85.9 | Confident | 85.2 | Confident | 115 Ų | 115 | 87.4 Ų | 87.4 | 43% | 0.434 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 172.4 | -171 | -177.8 | 80.1 | -171.2 | 10.2 | 111.4 | R3 D4 R10 R11 E34 | R3-R7 PolarHBondContact O-N 3.26Å; R3-R7 VanDerWaalsContact O-N 3.1Å; D4-R7 WeakPolarHBondContact O-CB 3.11Å; D4-R7 PolarHBondContact O-N 2.8Å; D4-R7 VanDerWaalsContact O-N 3.15Å; R7-R10 PolarHBondContact O-N 2.95Å; R7-R11 WeakPolarHBondContact O-CG 3.39Å; R7-R11 PolarHBondContact O-N 3.14Å; R7-E34 IonicContact CZ-OE2 3.88Å; R7-E34 IonicContact NE-OE2 3.17Å; R7-E34 IonicContact NH2-OE2 3.22Å; R7-E34 PolarHBondContact NH2-OE2 3Å |
| 8 | F | 88.4 | Confident | 85.2 | Confident | 23 Ų | 23 | 84.9 Ų | 84.9 | 10% | 0.101 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 179.3 | -63.9 | -40.2 | 0 | 0 | 0 | 112.2 | D4 R10 R11 L12 E34 I35 A38 | D4-F8 HydrophobicContact CB-CD2 4.02Å; D4-F8 HydrophobicContact CB-CE2 3.57Å; D4-F8 HydrophobicContact CB-CZ 4.14Å; D4-F8 WeakPolarHBondContact O-CB 3.34Å; D4-F8 WeakPolarHBondContact O-CD2 3.32Å; D4-F8 WeakPolarHBondContact O-CG 3.23Å; D4-F8 PolarHBondContact O-N 3.25Å; F8-R10 PolarHBondContact O-N 3.4Å; F8-R11 PolarHBondContact O-N 3.1Å; F8-L12 WeakPolarHBondContact O-CB 3.25Å; F8-L12 PolarHBondContact O-N 3.44Å; F8-E34 HydrophobicContact CE1-CB 3.7Å; F8-E34 WeakPolarHBondContact CE1-OE2 3.41Å; F8-E34 HydrophobicContact CZ-CB 3.93Å; F8-I35 HydrophobicContact CD1-CG1 4.11Å; F8-I35 HydrophobicContact CD2-CG1 3.76Å; F8-I35 HydrophobicContact CE1-CG1 4.03Å; F8-I35 HydrophobicContact CE2-CB 4.41Å; F8-I35 HydrophobicContact CE2-CG1 3.66Å; F8-I35 HydrophobicContact CG-CG1 4Å; F8-I35 HydrophobicContact CZ-CG1 3.82Å; F8-A38 HydrophobicContact CE2-CB 3.91Å; F8-A38 HydrophobicContact CZ-CB 4.1Å |
| 9 | S | 84.8 | Confident | 85.2 | Confident | 78 Ų | 78 | 91.2 Ų | 91.2 | 55% | 0.545 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 175.7 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | R5 L6 L12 H13 | R5-S9 WeakPolarHBondContact O-CB 3.41Å; R5-S9 PolarHBondContact O-N 2.63Å; L6-S9 PolarHBondContact O-N 2.86Å; S9-L12 PolarHBondContact O-N 3.01Å; S9-H13 PolarHBondContact O-N 3.49Å |
| 10 | R | 85.5 | Confident | 85.4 | Confident | 177 Ų | 177 | 90.9 Ų | 90.9 | 67% | 0.668 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.8 | -44.5 | 175.7 | -73 | 179.9 | -179.7 | 174.8 | 0.8 | 112.3 | L6 R7 F8 H13 G14 | L6-R10 WeakPolarHBondContact O-CG 3.45Å; L6-R10 PolarHBondContact O-N 3.4Å; L6-R10 VanDerWaalsContact O-N 3.1Å; R7-R10 PolarHBondContact O-N 2.95Å; F8-R10 PolarHBondContact O-N 3.4Å; R10-H13 PolarHBondContact O-N 3.03Å; R10-G14 PolarHBondContact O-N 3.18Å |
| 11 | R | 87.1 | Confident | 85.5 | Confident | 67 Ų | 67 | 90.7 Ų | 90.7 | 25% | 0.253 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 175.8 | -75 | -175.2 | 73.2 | 166.8 | 10.3 | 111 | R7 F8 H13 G14 V15 E30 M31 E34 | R7-R11 WeakPolarHBondContact O-CG 3.39Å; R7-R11 PolarHBondContact O-N 3.14Å; F8-R11 PolarHBondContact O-N 3.1Å; R11-H13 VanDerWaalsContact C-N 3.28Å; R11-H13 PolarHBondContact O-N 2.87Å; R11-G14 CarbonylContact O-C 2.92Å; R11-G14 WeakPolarHBondContact O-CA 3.46Å; R11-G14 PolarHBondContact O-N 2.95Å; R11-V15 WeakPolarHBondContact O-CG2 3.42Å; R11-V15 PolarHBondContact O-N 3.42Å; R11-E30 IonicContact CZ-OE1 2.83Å; R11-E30 IonicContact NH1-OE1 3.65Å; R11-E30 IonicContact NH2-OE1 3.54Å; R11-E30 PolarHBondContact NH2-OE1 3.08Å; R11-E30 IonicContact NH2-OE2 3.41Å; R11-M31 HydrophobicContact CB-CE 3.76Å; R11-M31 HydrophobicContact CB-SD 3.77Å; R11-E34 IonicContact CZ-OE1 2.8Å; R11-E34 IonicContact NH1-OE1 2.74Å; R11-E34 PolarHBondContact NH1-OE1 3.09Å; R11-E34 IonicContact NH1-OE2 3.01Å; R11-E34 PolarHBondContact NH1-OE2 2.99Å |
| 12 | L | 86.6 | Confident | 85.6 | Confident | 86 Ų | 86 | 94.2 Ų | 94.2 | 45% | 0.45 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.3 | -40.5 | 179.2 | -168.1 | 72.5 | 0 | 0 | 0 | 111.8 | F8 S9 F28 M31 | F8-L12 WeakPolarHBondContact O-CB 3.25Å; F8-L12 PolarHBondContact O-N 3.44Å; S9-L12 PolarHBondContact O-N 3.01Å; L12-F28 HydrophobicContact CD1-CE1 3.9Å; L12-M31 HydrophobicContact CB-CE 4.17Å; L12-M31 HydrophobicContact CD1-CE 4.39Å |
| 13 | H | 85 | Confident | 85.6 | Confident | 121 Ų | 121 | 95.1 Ų | 95.1 | 56% | 0.56 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -67.6 | -36.8 | 174.1 | -168 | 79.9 | 0 | 0 | 0 | 112.4 | S9 R10 R11 | S9-H13 PolarHBondContact O-N 3.49Å; R10-H13 PolarHBondContact O-N 3.03Å; R11-H13 VanDerWaalsContact C-N 3.28Å; R11-H13 PolarHBondContact O-N 2.87Å |
| 14 | G | 85.8 | Confident | 85.7 | Confident | 34 Ų | 34 | 92 Ų | 92 | 35% | 0.351 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.8 | -39 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | R10 R11 K16 K17 | R10-G14 PolarHBondContact O-N 3.18Å; R11-G14 CarbonylContact O-C 2.92Å; R11-G14 WeakPolarHBondContact O-CA 3.46Å; R11-G14 PolarHBondContact O-N 2.95Å; G14-K16 PolarHBondContact O-N 2.91Å; G14-K17 WeakPolarHBondContact O-CB 3.47Å; G14-K17 PolarHBondContact O-N 2.96Å |
| 15 | V | 86.2 | Confident | 85.8 | Confident | 5 Ų | 5 | 95.9 Ų | 95.9 | 3% | 0.03 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -60.2 | -33.6 | 179.1 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | R11 K17 V18 Q24 I27 F28 M31 | R11-V15 WeakPolarHBondContact O-CG2 3.42Å; R11-V15 PolarHBondContact O-N 3.42Å; V15-K17 PolarHBondContact O-N 3.42Å; V15-V18 WeakPolarHBondContact O-CB 3.48Å; V15-V18 PolarHBondContact O-N 3.26Å; V15-Q24 HydrophobicContact CG1-CB 4.24Å; V15-Q24 HydrophobicContact CG1-CG 4.1Å; V15-I27 HydrophobicContact CG2-CB 4.1Å; V15-I27 HydrophobicContact CG2-CD1 4.4Å; V15-I27 HydrophobicContact CG2-CG2 3.38Å; V15-F28 HydrophobicContact CB-CE1 4.27Å; V15-F28 HydrophobicContact CB-CZ 4.39Å; V15-F28 HydrophobicContact CG1-CD1 4.31Å; V15-F28 HydrophobicContact CG1-CE1 3.65Å; V15-F28 HydrophobicContact CG1-CE2 3.9Å; V15-F28 HydrophobicContact CG1-CZ 3.41Å; V15-F28 VanDerWaalsContact CG1-CZ 3.41Å; V15-M31 HydrophobicContact CG2-SD 4.14Å |
| 16 | K | 81.4 | Confident | 86.1 | Confident | 164 Ų | 164 | 89.8 Ų | 89.8 | 71% | 0.713 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -18.8 | 175 | -65.2 | -175 | 177.2 | -171.9 | 0 | 113.9 | G14 | G14-K16 PolarHBondContact O-N 2.91Š|
| 17 | K | 86 | Confident | 86.4 | Confident | 160 Ų | 160 | 89.4 Ų | 89.4 | 70% | 0.696 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -14.1 | 177.6 | -60 | -175.8 | 178.5 | -177 | 0 | 113.4 | G14 V15 K19 | G14-K17 WeakPolarHBondContact O-CB 3.47Å; G14-K17 PolarHBondContact O-N 2.96Å; V15-K17 PolarHBondContact O-N 3.42Å; K17-K19 PolarHBondContact O-N 3.48Å |
| 18 | V | 84.6 | Confident | 86.7 | Confident | 44 Ų | 44 | 87.7 Ų | 87.7 | 27% | 0.267 | 44% | 0.444 | S | S | . | . | trans | -73.9 | 124.8 | 178.1 | 179.1 | 0 | 0 | 0 | 0 | 108.2 | V15 A23 Q24 I27 | V15-V18 WeakPolarHBondContact O-CB 3.48Å; V15-V18 PolarHBondContact O-N 3.26Å; V18-A23 HydrophobicContact CG1-CB 3.91Å; V18-Q24 HydrophobicContact CB-CG 3.88Å; V18-Q24 HydrophobicContact CG1-CG 3.95Å; V18-Q24 PolarHBondContact O-NE2 3.49Å; V18-I27 HydrophobicContact CG2-CD1 4.05Å | ||
| 19 | K | 85.4 | Confident | 86.8 | Confident | 203 Ų | 203 | 91.9 Ų | 91.9 | 88% | 0.883 | 46% | 0.464 | S | S | * | . | trans | -85.4 | -28.9 | -176.4 | -66.3 | -175.7 | 179.4 | -178.6 | 0 | 114 | K17 P21 | K17-K19 PolarHBondContact O-N 3.48Å; K19-P21 WeakPolarHBondContact O-CD 3.46Å | ||
| 20 | N | 89.8 | Confident | 87 | Confident | 85 Ų | 85 | 92.6 Ų | 92.6 | 46% | 0.455 | 46% | 0.458 | S | S | . | . | trans | -79.9 | 118.2 | -178 | -178.3 | -8.4 | 0 | 0 | 0 | 110.1 | D22 A23 Q24 | N20-D22 PolarHBondContact O-N 3.48Å; N20-D22 PolarHBondContact OD1-N 2.98Å; N20-D22 VanDerWaalsContact OD1-N 3.08Å; N20-A23 HydrophobicContact CB-CB 3.95Å; N20-A23 PolarHBondContact O-N 3.29Å; N20-Q24 PolarHBondContact O-N 3.05Å | ||
| 21 | P | 86.6 | Confident | 87.3 | Confident | 88 Ų | 88 | 84.5 Ų | 84.5 | 57% | 0.571 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -59.9 | -39 | -179.9 | -23.1 | 34 | 0 | 0 | 0 | 114 | K19 A23 Q24 Q25 | K19-P21 WeakPolarHBondContact O-CD 3.46Å; P21-A23 VanDerWaalsContact C-N 3.32Å; P21-A23 PolarHBondContact O-N 3.34Å; P21-Q24 WeakPolarHBondContact O-CB 3.37Å; P21-Q24 PolarHBondContact O-N 3.31Å; P21-Q25 PolarHBondContact O-N 2.92Å |
| 22 | D | 88.8 | Confident | 87.4 | Confident | 130 Ų | 130 | 83.5 Ų | 83.5 | 70% | 0.695 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -66.7 | -39 | -179.7 | -65.3 | -29.3 | 0 | 0 | 0 | 110.9 | N20 Q25 A26 | N20-D22 PolarHBondContact O-N 3.48Å; N20-D22 PolarHBondContact OD1-N 2.98Å; N20-D22 VanDerWaalsContact OD1-N 3.08Å; D22-Q25 PolarHBondContact O-N 2.84Å; D22-A26 WeakPolarHBondContact O-CB 3.47Å; D22-A26 PolarHBondContact O-N 3.3Å |
| 23 | A | 86 | Confident | 87.7 | Confident | 35 Ų | 35 | 86.3 Ų | 86.3 | 29% | 0.289 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V18 N20 P21 I27 | V18-A23 HydrophobicContact CG1-CB 3.91Å; N20-A23 HydrophobicContact CB-CB 3.95Å; N20-A23 PolarHBondContact O-N 3.29Å; P21-A23 VanDerWaalsContact C-N 3.32Å; P21-A23 PolarHBondContact O-N 3.34Å; A23-I27 WeakPolarHBondContact O-CD1 3.11Å; A23-I27 WeakPolarHBondContact O-CG1 3.49Å; A23-I27 PolarHBondContact O-N 3.31Å; A23-I27 VanDerWaalsContact O-N 3.09Å |
| 24 | Q | 86.5 | Confident | 88 | Confident | 56 Ų | 56 | 82.6 Ų | 82.6 | 26% | 0.262 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.2 | -48 | 173.3 | -73.6 | -176.4 | -16.7 | 0 | 0 | 111.2 | V15 V18 N20 P21 A26 I27 F28 | V15-Q24 HydrophobicContact CG1-CB 4.24Å; V15-Q24 HydrophobicContact CG1-CG 4.1Å; V18-Q24 HydrophobicContact CB-CG 3.88Å; V18-Q24 HydrophobicContact CG1-CG 3.95Å; V18-Q24 PolarHBondContact O-NE2 3.49Å; N20-Q24 PolarHBondContact O-N 3.05Å; P21-Q24 WeakPolarHBondContact O-CB 3.37Å; P21-Q24 PolarHBondContact O-N 3.31Å; Q24-A26 PolarHBondContact O-N 3.49Å; Q24-I27 PolarHBondContact O-N 3.02Å; Q24-F28 HydrophobicContact CB-CD2 4.43Å; Q24-F28 HydrophobicContact CB-CE2 4.12Å; Q24-F28 WeakPolarHBondContact O-CD2 3.45Å; Q24-F28 WeakPolarHBondContact O-CG 3.28Å; Q24-F28 PolarHBondContact O-N 2.99Å |
| 25 | Q | 88.5 | Confident | 88.2 | Confident | 108 Ų | 108 | 84.5 Ų | 84.5 | 51% | 0.505 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | -178.7 | -171.5 | 63.4 | 11.5 | 0 | 0 | 111.9 | P21 D22 I27 F28 Q29 | P21-Q25 PolarHBondContact O-N 2.92Å; D22-Q25 PolarHBondContact O-N 2.84Å; Q25-I27 PolarHBondContact O-N 3.46Å; Q25-F28 PolarHBondContact O-N 2.55Å; Q25-Q29 WeakPolarHBondContact O-CG 3.39Å; Q25-Q29 PolarHBondContact O-N 3.16Å |
| 26 | A | 88.2 | Confident | 88.5 | Confident | 55 Ų | 55 | 89.6 Ų | 89.6 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D22 Q24 F28 Q29 E30 | D22-A26 WeakPolarHBondContact O-CB 3.47Å; D22-A26 PolarHBondContact O-N 3.3Å; Q24-A26 PolarHBondContact O-N 3.49Å; A26-F28 PolarHBondContact O-N 2.95Å; A26-Q29 PolarHBondContact O-N 3.4Å; A26-E30 PolarHBondContact O-N 2.91Å |
| 27 | I | 88.3 | Confident | 89 | Confident | 43 Ų | 43 | 88.1 Ų | 88.1 | 22% | 0.221 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64.9 | -40 | 177.2 | -61.1 | 160.4 | 0 | 0 | 0 | 111 | V15 V18 A23 Q24 Q25 E30 M31 | V15-I27 HydrophobicContact CG2-CB 4.1Å; V15-I27 HydrophobicContact CG2-CD1 4.4Å; V15-I27 HydrophobicContact CG2-CG2 3.38Å; V18-I27 HydrophobicContact CG2-CD1 4.05Å; A23-I27 WeakPolarHBondContact O-CD1 3.11Å; A23-I27 WeakPolarHBondContact O-CG1 3.49Å; A23-I27 PolarHBondContact O-N 3.31Å; A23-I27 VanDerWaalsContact O-N 3.09Å; Q24-I27 PolarHBondContact O-N 3.02Å; Q25-I27 PolarHBondContact O-N 3.46Å; I27-E30 PolarHBondContact O-N 3.31Å; I27-M31 HydrophobicContact CG2-CG 4.21Å; I27-M31 HydrophobicContact CG2-SD 3.98Å; I27-M31 WeakPolarHBondContact O-CB 3.17Å; I27-M31 VanDerWaalsContact O-CG 3.27Å; I27-M31 WeakPolarHBondContact O-CG 3.36Å; I27-M31 PolarHBondContact O-N 3.31Å |
| 28 | F | 90.6 | Very high | 89.1 | Confident | 80 Ų | 80 | 81 Ų | 81 | 35% | 0.351 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 176.5 | -72 | -50 | 0 | 0 | 0 | 112.4 | L12 V15 Q24 Q25 A26 M31 A32 | L12-F28 HydrophobicContact CD1-CE1 3.9Å; V15-F28 HydrophobicContact CB-CE1 4.27Å; V15-F28 HydrophobicContact CB-CZ 4.39Å; V15-F28 HydrophobicContact CG1-CD1 4.31Å; V15-F28 HydrophobicContact CG1-CE1 3.65Å; V15-F28 HydrophobicContact CG1-CE2 3.9Å; V15-F28 HydrophobicContact CG1-CZ 3.41Å; V15-F28 VanDerWaalsContact CG1-CZ 3.41Å; Q24-F28 HydrophobicContact CB-CD2 4.43Å; Q24-F28 HydrophobicContact CB-CE2 4.12Å; Q24-F28 WeakPolarHBondContact O-CD2 3.45Å; Q24-F28 WeakPolarHBondContact O-CG 3.28Å; Q24-F28 PolarHBondContact O-N 2.99Å; Q25-F28 PolarHBondContact O-N 2.55Å; A26-F28 PolarHBondContact O-N 2.95Å; F28-M31 PolarHBondContact O-N 3.37Å; F28-A32 WeakPolarHBondContact O-CB 3.39Å; F28-A32 PolarHBondContact O-N 3.22Å |
| 29 | Q | 90.6 | Very high | 89.3 | Confident | 111 Ų | 111 | 81.2 Ų | 81.2 | 52% | 0.519 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 176.4 | -73.6 | -179.8 | -5.2 | 0 | 0 | 112.2 | Q25 A26 K33 | Q25-Q29 WeakPolarHBondContact O-CG 3.39Å; Q25-Q29 PolarHBondContact O-N 3.16Å; A26-Q29 PolarHBondContact O-N 3.4Å; Q29-K33 WeakPolarHBondContact O-CG 3.37Å; Q29-K33 PolarHBondContact O-N 3.15Å |
| 30 | E | 90.6 | Very high | 89.6 | Confident | 92 Ų | 92 | 72.9 Ų | 72.9 | 43% | 0.43 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 174.2 | -170.1 | -163.4 | 135.9 | 0 | 0 | 111.2 | R11 A26 I27 A32 K33 E34 | R11-E30 IonicContact CZ-OE1 2.83Å; R11-E30 IonicContact NH1-OE1 3.65Å; R11-E30 IonicContact NH2-OE1 3.54Å; R11-E30 PolarHBondContact NH2-OE1 3.08Å; R11-E30 IonicContact NH2-OE2 3.41Å; A26-E30 PolarHBondContact O-N 2.91Å; I27-E30 PolarHBondContact O-N 3.31Å; E30-A32 VanDerWaalsContact C-N 3.35Å; E30-A32 PolarHBondContact O-N 3.34Å; E30-K33 PolarHBondContact O-N 3.43Å; E30-E34 PolarHBondContact O-N 3.49Å |
| 31 | M | 89.8 | Confident | 89.5 | Confident | 8 Ų | 8 | 75 Ų | 75 | 4% | 0.039 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.9 | -40 | 177.7 | -75.5 | -178.2 | 63.7 | 0 | 0 | 112.5 | R11 L12 V15 I27 F28 K33 E34 I35 | R11-M31 HydrophobicContact CB-CE 3.76Å; R11-M31 HydrophobicContact CB-SD 3.77Å; L12-M31 HydrophobicContact CB-CE 4.17Å; L12-M31 HydrophobicContact CD1-CE 4.39Å; V15-M31 HydrophobicContact CG2-SD 4.14Å; I27-M31 HydrophobicContact CG2-CG 4.21Å; I27-M31 HydrophobicContact CG2-SD 3.98Å; I27-M31 WeakPolarHBondContact O-CB 3.17Å; I27-M31 VanDerWaalsContact O-CG 3.27Å; I27-M31 WeakPolarHBondContact O-CG 3.36Å; I27-M31 PolarHBondContact O-N 3.31Å; F28-M31 PolarHBondContact O-N 3.37Å; M31-K33 PolarHBondContact O-N 2.97Å; M31-E34 PolarHBondContact O-N 3.02Å; M31-I35 WeakPolarHBondContact O-CB 3.28Å; M31-I35 WeakPolarHBondContact O-CD1 3.39Å; M31-I35 WeakPolarHBondContact O-CG1 3.37Å; M31-I35 PolarHBondContact O-N 3.34Å |
| 32 | A | 91.1 | Very high | 89.7 | Confident | 46 Ų | 46 | 72 Ų | 72 | 38% | 0.38 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.7 | -47.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F28 E30 E34 I35 D36 | F28-A32 WeakPolarHBondContact O-CB 3.39Å; F28-A32 PolarHBondContact O-N 3.22Å; E30-A32 VanDerWaalsContact C-N 3.35Å; E30-A32 PolarHBondContact O-N 3.34Å; A32-E34 VanDerWaalsContact C-N 3.35Å; A32-E34 PolarHBondContact O-N 3.43Å; A32-I35 PolarHBondContact O-N 3.01Å; A32-D36 PolarHBondContact O-N 3.48Å |
| 33 | K | 91.8 | Very high | 89.8 | Confident | 145 Ų | 145 | 71.3 Ų | 71.3 | 63% | 0.63 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -59.9 | -42.5 | 175.7 | -69.6 | 176 | -178.5 | 177.5 | 0 | 112.4 | Q29 E30 M31 D36 Q37 | Q29-K33 WeakPolarHBondContact O-CG 3.37Å; Q29-K33 PolarHBondContact O-N 3.15Å; E30-K33 PolarHBondContact O-N 3.43Å; M31-K33 PolarHBondContact O-N 2.97Å; K33-D36 PolarHBondContact O-N 3.21Å; K33-Q37 VanDerWaalsContact O-CG 3.32Å; K33-Q37 WeakPolarHBondContact O-CG 3.33Å; K33-Q37 PolarHBondContact O-N 3.44Å |
| 34 | E | 90.5 | Very high | 89.9 | Confident | 42 Ų | 42 | 75.7 Ų | 75.7 | 20% | 0.196 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 176.6 | -71.6 | -174.9 | -169.6 | 0 | 0 | 112.8 | R7 F8 R11 E30 M31 A32 Q37 A38 | R7-E34 IonicContact CZ-OE2 3.88Å; R7-E34 IonicContact NE-OE2 3.17Å; R7-E34 IonicContact NH2-OE2 3.22Å; R7-E34 PolarHBondContact NH2-OE2 3Å; F8-E34 HydrophobicContact CE1-CB 3.7Å; F8-E34 WeakPolarHBondContact CE1-OE2 3.41Å; F8-E34 HydrophobicContact CZ-CB 3.93Å; R11-E34 IonicContact CZ-OE1 2.8Å; R11-E34 IonicContact NH1-OE1 2.74Å; R11-E34 PolarHBondContact NH1-OE1 3.09Å; R11-E34 IonicContact NH1-OE2 3.01Å; R11-E34 PolarHBondContact NH1-OE2 2.99Å; E30-E34 PolarHBondContact O-N 3.49Å; M31-E34 PolarHBondContact O-N 3.02Å; A32-E34 VanDerWaalsContact C-N 3.35Å; A32-E34 PolarHBondContact O-N 3.43Å; E34-Q37 PolarHBondContact O-N 2.91Å; E34-A38 WeakPolarHBondContact O-CB 3.43Å; E34-A38 PolarHBondContact O-N 3.27Å |
| 35 | I | 91.9 | Very high | 90.1 | Very high | 74 Ų | 74 | 73.9 Ų | 73.9 | 38% | 0.379 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.6 | -44.2 | 177 | -71.7 | 164.3 | 0 | 0 | 0 | 109.8 | F8 M31 A32 Q37 A38 A39 | F8-I35 HydrophobicContact CD1-CG1 4.11Å; F8-I35 HydrophobicContact CD2-CG1 3.76Å; F8-I35 HydrophobicContact CE1-CG1 4.03Å; F8-I35 HydrophobicContact CE2-CB 4.41Å; F8-I35 HydrophobicContact CE2-CG1 3.66Å; F8-I35 HydrophobicContact CG-CG1 4Å; F8-I35 HydrophobicContact CZ-CG1 3.82Å; M31-I35 WeakPolarHBondContact O-CB 3.28Å; M31-I35 WeakPolarHBondContact O-CD1 3.39Å; M31-I35 WeakPolarHBondContact O-CG1 3.37Å; M31-I35 PolarHBondContact O-N 3.34Å; A32-I35 PolarHBondContact O-N 3.01Å; I35-Q37 VanDerWaalsContact C-N 3.35Å; I35-Q37 PolarHBondContact O-N 2.97Å; I35-A38 CarbonylContact O-C 3.49Å; I35-A38 PolarHBondContact O-N 2.61Å; I35-A38 VanDerWaalsContact O-N 3.15Å; I35-A39 WeakPolarHBondContact O-CB 3.39Å; I35-A39 PolarHBondContact O-N 2.84Å |
| 36 | D | 92.4 | Very high | 90.1 | Very high | 113 Ų | 113 | 73.5 Ų | 73.5 | 60% | 0.604 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.8 | -42.8 | 176.5 | -70.3 | -24.1 | 0 | 0 | 0 | 111.4 | A32 K33 A38 A39 G40 | A32-D36 PolarHBondContact O-N 3.48Å; K33-D36 PolarHBondContact O-N 3.21Å; D36-A38 PolarHBondContact O-N 3Å; D36-A39 PolarHBondContact O-N 2.92Å; D36-G40 PolarHBondContact O-N 3.12Å |
| 37 | Q | 90.4 | Very high | 90.1 | Very high | 132 Ų | 132 | 75 Ų | 75 | 62% | 0.617 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -61.6 | -42.4 | 173.1 | -73 | 176.5 | 1.8 | 0 | 0 | 112.1 | K33 E34 I35 G40 K41 | K33-Q37 VanDerWaalsContact O-CG 3.32Å; K33-Q37 WeakPolarHBondContact O-CG 3.33Å; K33-Q37 PolarHBondContact O-N 3.44Å; E34-Q37 PolarHBondContact O-N 2.91Å; I35-Q37 VanDerWaalsContact C-N 3.35Å; I35-Q37 PolarHBondContact O-N 2.97Å; Q37-G40 PolarHBondContact O-N 3.44Å; Q37-K41 WeakPolarHBondContact O-CG 3.32Å; Q37-K41 PolarHBondContact O-N 2.8Å |
| 38 | A | 88.2 | Confident | 90.1 | Very high | 11 Ų | 11 | 75.9 Ų | 75.9 | 9% | 0.091 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -67.9 | -35.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D4 F8 E34 I35 D36 V42 | D4-A38 HydrophobicContact CB-CB 4.31Å; F8-A38 HydrophobicContact CE2-CB 3.91Å; F8-A38 HydrophobicContact CZ-CB 4.1Å; E34-A38 WeakPolarHBondContact O-CB 3.43Å; E34-A38 PolarHBondContact O-N 3.27Å; I35-A38 CarbonylContact O-C 3.49Å; I35-A38 PolarHBondContact O-N 2.61Å; I35-A38 VanDerWaalsContact O-N 3.15Å; D36-A38 PolarHBondContact O-N 3Å; A38-V42 WeakPolarHBondContact O-CG2 3.39Å; A38-V42 PolarHBondContact O-N 3.15Å |
| 39 | A | 90.3 | Very high | 90 | Very high | 49 Ų | 49 | 76.3 Ų | 76.3 | 41% | 0.405 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.8 | -44.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I35 D36 K41 V42 L43 | I35-A39 WeakPolarHBondContact O-CB 3.39Å; I35-A39 PolarHBondContact O-N 2.84Å; D36-A39 PolarHBondContact O-N 2.92Å; A39-K41 VanDerWaalsContact C-N 3.31Å; A39-K41 PolarHBondContact O-N 2.75Å; A39-V42 WeakPolarHBondContact O-CB 3.32Å; A39-V42 PolarHBondContact O-N 2.63Å; A39-L43 PolarHBondContact O-N 2.89Å |
| 40 | G | 91.1 | Very high | 89.9 | Confident | 28 Ų | 28 | 72.2 Ų | 72.2 | 29% | 0.289 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57 | -41.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D36 Q37 V42 L43 L44 | D36-G40 PolarHBondContact O-N 3.12Å; Q37-G40 PolarHBondContact O-N 3.44Å; G40-V42 VanDerWaalsContact C-N 3.33Å; G40-V42 PolarHBondContact O-N 3.24Å; G40-L43 PolarHBondContact O-N 3.29Å; G40-L44 WeakPolarHBondContact O-CG 3.32Å; G40-L44 PolarHBondContact O-N 3.31Å |
| 41 | K | 87.9 | Confident | 89.9 | Confident | 130 Ų | 130 | 75.8 Ų | 75.8 | 57% | 0.565 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -60.7 | -39 | 173.5 | -74.3 | -179.7 | -177.9 | -173.6 | 0 | 113.1 | Q37 A39 R45 | Q37-K41 WeakPolarHBondContact O-CG 3.32Å; Q37-K41 PolarHBondContact O-N 2.8Å; A39-K41 VanDerWaalsContact C-N 3.31Å; A39-K41 PolarHBondContact O-N 2.75Å; K41-R45 VanDerWaalsContact O-CG 3.32Å; K41-R45 WeakPolarHBondContact O-CG 3.49Å; K41-R45 PolarHBondContact O-N 2.84Å |
| 42 | V | 89.8 | Confident | 90 | Very high | 23 Ų | 23 | 77 Ų | 77 | 14% | 0.139 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.1 | -44.9 | 177.3 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | M1 A38 A39 G40 L44 R45 E46 I102 K103 | M1-V42 HydrophobicContact SD-CG2 4.47Å; A38-V42 WeakPolarHBondContact O-CG2 3.39Å; A38-V42 PolarHBondContact O-N 3.15Å; A39-V42 WeakPolarHBondContact O-CB 3.32Å; A39-V42 PolarHBondContact O-N 2.63Å; G40-V42 VanDerWaalsContact C-N 3.33Å; G40-V42 PolarHBondContact O-N 3.24Å; V42-L44 PolarHBondContact O-N 3.35Å; V42-R45 PolarHBondContact O-N 2.89Å; V42-E46 WeakPolarHBondContact O-CB 3.42Å; V42-E46 PolarHBondContact O-N 2.77Å; V42-I102 HydrophobicContact CG1-CG2 3.98Å; V42-K103 HydrophobicContact CG1-CG 4.36Å |
| 43 | L | 91 | Very high | 89.9 | Confident | 116 Ų | 116 | 77.9 Ų | 77.9 | 61% | 0.607 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.4 | -42.1 | 176.8 | -69 | 171.7 | 0 | 0 | 0 | 112.2 | A39 G40 R45 E46 A47 | A39-L43 PolarHBondContact O-N 2.89Å; G40-L43 PolarHBondContact O-N 3.29Å; L43-R45 VanDerWaalsContact C-N 3.34Å; L43-R45 PolarHBondContact O-N 2.87Å; L43-E46 PolarHBondContact O-N 3.49Å; L43-A47 WeakPolarHBondContact O-CB 3.28Å; L43-A47 PolarHBondContact O-N 3.21Å |
| 44 | L | 89.5 | Confident | 89.9 | Confident | 127 Ų | 127 | 72.9 Ų | 72.9 | 67% | 0.665 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.1 | -41.2 | 175.3 | -73.5 | 171.6 | 0 | 0 | 0 | 111.8 | G40 V42 A47 A48 | G40-L44 WeakPolarHBondContact O-CG 3.32Å; G40-L44 PolarHBondContact O-N 3.31Å; V42-L44 PolarHBondContact O-N 3.35Å; L44-A47 PolarHBondContact O-N 3.21Å; L44-A48 WeakPolarHBondContact O-CB 3.39Å; L44-A48 PolarHBondContact O-N 3.28Å |
| 45 | R | 89 | Confident | 89.6 | Confident | 18 Ų | 18 | 72.9 Ų | 72.9 | 7% | 0.068 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 175.8 | -73.9 | 173.9 | 66.6 | 82.3 | 3.5 | 111.7 | K41 V42 L43 A48 R49 G101 I102 D147 T149 M150 | K41-R45 VanDerWaalsContact O-CG 3.32Å; K41-R45 WeakPolarHBondContact O-CG 3.49Å; K41-R45 PolarHBondContact O-N 2.84Å; V42-R45 PolarHBondContact O-N 2.89Å; L43-R45 VanDerWaalsContact C-N 3.34Å; L43-R45 PolarHBondContact O-N 2.87Å; R45-A48 PolarHBondContact O-N 3.29Å; R45-R49 PolarHBondContact O-N 2.7Å; R45-G101 PolarHBondContact NH2-O 2.82Å; R45-I102 HydrophobicContact CB-CG2 4.29Å; R45-I102 PolarHBondContact NE-O 3.16Å; R45-D147 PolarHBondContact NH1-O 3.03Å; R45-T149 PolarHBondContact NH1-O 3.42Å; R45-T149 VanDerWaalsContact NH1-O 3.1Å; R45-T149 PolarHBondContact NH2-O 3.35Å; R45-M150 WeakPolarHBondContact O-CE 3.41Å |
| 46 | E | 88.8 | Confident | 88.9 | Confident | 101 Ų | 101 | 76.1 Ų | 76.1 | 47% | 0.472 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 177.1 | -170.6 | 166.4 | -163.9 | 0 | 0 | 111.7 | V42 L43 A48 R49 I102 | V42-E46 WeakPolarHBondContact O-CB 3.42Å; V42-E46 PolarHBondContact O-N 2.77Å; L43-E46 PolarHBondContact O-N 3.49Å; E46-A48 VanDerWaalsContact C-N 3.33Å; E46-A48 PolarHBondContact O-N 3.14Å; E46-R49 VanDerWaalsContact O-CB 3.31Å; E46-R49 WeakPolarHBondContact O-CB 2.92Å; E46-R49 PolarHBondContact O-N 3.33Å; E46-I102 HydrophobicContact CB-CG2 4.21Å |
| 47 | A | 88.9 | Confident | 88.3 | Confident | 86 Ų | 86 | 76.3 Ų | 76.3 | 71% | 0.711 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -67.8 | -29.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L43 L44 R49 | L43-A47 WeakPolarHBondContact O-CB 3.28Å; L43-A47 PolarHBondContact O-N 3.21Å; L44-A47 PolarHBondContact O-N 3.21Å; A47-R49 VanDerWaalsContact C-N 3.28Å; A47-R49 PolarHBondContact O-N 3.09Å |
| 48 | A | 87.9 | Confident | 87.9 | Confident | 62 Ų | 62 | 71.7 Ų | 71.7 | 51% | 0.512 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L44 R45 E46 M150 | L44-A48 WeakPolarHBondContact O-CB 3.39Å; L44-A48 PolarHBondContact O-N 3.28Å; R45-A48 PolarHBondContact O-N 3.29Å; E46-A48 VanDerWaalsContact C-N 3.33Å; E46-A48 PolarHBondContact O-N 3.14Å; A48-M150 HydrophobicContact CB-CE 4.43Å |
| 49 | R | 88.9 | Confident | 87.6 | Confident | 89 Ų | 89 | 71.6 Ų | 71.6 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 122.8 | 177.3 | -177.6 | 175.2 | 60.5 | 173.1 | -1.6 | 109 | R45 E46 A47 M96 E97 M150 | R45-R49 PolarHBondContact O-N 2.7Å; E46-R49 VanDerWaalsContact O-CB 3.31Å; E46-R49 WeakPolarHBondContact O-CB 2.92Å; E46-R49 PolarHBondContact O-N 3.33Å; A47-R49 VanDerWaalsContact C-N 3.28Å; A47-R49 PolarHBondContact O-N 3.09Å; R49-M96 WeakPolarHBondContact CD-O 3.19Å; R49-M96 HydrophobicContact CG-CE 4.49Å; R49-M96 PolarHBondContact NH1-O 2.94Å; R49-E97 PolarHBondContact NH1-O 3.41Å; R49-M150 HydrophobicContact CB-CE 4.26Å; R49-M150 HydrophobicContact CB-SD 4.39Å; R49-M150 HydrophobicContact CG-SD 4.48Å |
| 50 | P | 88.9 | Confident | 87.5 | Confident | 24 Ų | 24 | 69.3 Ų | 69.3 | 16% | 0.156 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 157.7 | 178.9 | 29.4 | -36.3 | 0 | 0 | 0 | 110.8 | I52 M96 L127 T129 | P50-I52 PolarHBondContact O-N 3.32Å; P50-M96 HydrophobicContact CG-CE 3.77Å; P50-L127 HydrophobicContact CG-CD1 4.23Å; P50-T129 HydrophobicContact CB-CG2 4.1Å |
| 51 | E | 89.9 | Confident | 87.3 | Confident | 167 Ų | 167 | 68.7 Ų | 68.7 | 78% | 0.78 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 127.8 | 169.4 | -171.9 | -179.3 | -178.6 | 0 | 0 | 109.7 | ||
| 52 | I | 91.9 | Very high | 87.2 | Confident | 33 Ų | 33 | 67.4 Ų | 67.4 | 17% | 0.169 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -98.5 | 116.7 | -174.4 | -56.8 | 173.4 | 0 | 0 | 0 | 108.6 | P50 Y54 K93 M96 E97 L127 | P50-I52 PolarHBondContact O-N 3.32Å; I52-Y54 HydrophobicContact CG2-CD2 4.41Å; I52-Y54 HydrophobicContact CG2-CE1 4.26Å; I52-Y54 HydrophobicContact CG2-CE2 3.57Å; I52-Y54 VanDerWaalsContact CG2-CZ 3.48Å; I52-Y54 WeakPolarHBondContact CG2-OH 3.28Å; I52-K93 HydrophobicContact CG2-CB 3.77Å; I52-K93 HydrophobicContact CG2-CD 4.28Å; I52-K93 HydrophobicContact CG2-CG 4.42Å; I52-M96 HydrophobicContact CD1-CB 3.59Å; I52-E97 HydrophobicContact CD1-CB 3.9Å; I52-E97 VanDerWaalsContact CD1-N 3.28Å; I52-L127 HydrophobicContact CG1-CD2 4.49Å; I52-L127 HydrophobicContact CG2-CD2 4.48Å |
| 53 | T | 90.3 | Very high | 87.2 | Confident | 65 Ų | 65 | 69.7 Ų | 69.7 | 40% | 0.399 | 37% | 0.373 | S | S | . | . | trans | -115.4 | 147.2 | 175.3 | 60.3 | 0 | 0 | 0 | 0 | 110.8 | K93 | T53-K93 PolarHBondContact O-NZ 3.03Š| ||
| 54 | Y | 90 | Very high | 87.3 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 16% | 0.161 | 35% | 0.354 | C | S | . | . | trans | -121.4 | 135.8 | -178.1 | -63.1 | -83 | 0 | 0 | 0 | 109.8 | I52 K64 K93 I94 E97 | I52-Y54 HydrophobicContact CG2-CD2 4.41Å; I52-Y54 HydrophobicContact CG2-CE1 4.26Å; I52-Y54 HydrophobicContact CG2-CE2 3.57Å; I52-Y54 VanDerWaalsContact CG2-CZ 3.48Å; I52-Y54 WeakPolarHBondContact CG2-OH 3.28Å; Y54-K64 HydrophobicContact CD1-CD 4.48Å; Y54-K64 HydrophobicContact CD2-CD 3.77Å; Y54-K64 HydrophobicContact CE1-CD 4.24Å; Y54-K64 HydrophobicContact CE1-CG 4.49Å; Y54-K64 HydrophobicContact CE2-CD 3.49Å; Y54-K64 VanDerWaalsContact CE2-CD 3.49Å; Y54-K64 HydrophobicContact CG-CD 4.25Å; Y54-K93 HydrophobicContact CE1-CB 3.85Å; Y54-K93 HydrophobicContact CE1-CD 4.41Å; Y54-K93 VanDerWaalsContact OH-C 3.27Å; Y54-K93 PolarHBondContact OH-O 2.81Å; Y54-I94 HydrophobicContact CE1-CG1 3.79Å; Y54-I94 VanDerWaalsContact OH-CA 3.31Å; Y54-I94 WeakPolarHBondContact OH-CA 3.14Å; Y54-I94 PolarHBondContact OH-N 2.96Å; Y54-E97 VanDerWaalsContact CE2-OE2 3.26Å; Y54-E97 WeakPolarHBondContact CE2-OE2 3.44Å; Y54-E97 PolarHBondContact OH-OE2 2.89Å | ||
| 55 | P | 84.1 | Confident | 87.4 | Confident | 41 Ų | 41 | 64.6 Ų | 64.6 | 27% | 0.266 | 34% | 0.342 | S | S | . | . | trans | -77.2 | 123.8 | 172.7 | 31.5 | -34.4 | 0 | 0 | 0 | 110.2 | N57 L58 S61 | P55-N57 WeakPolarHBondContact CB-OD1 3.35Å; P55-N57 PolarHBondContact O-N 3.19Å; P55-L58 HydrophobicContact CB-CG 4.41Å; P55-L58 HydrophobicContact CG-CB 4.3Å; P55-L58 HydrophobicContact CG-CD1 3.46Å; P55-L58 VanDerWaalsContact CG-CD1 3.46Å; P55-L58 HydrophobicContact CG-CG 3.74Å; P55-L58 PolarHBondContact O-N 2.86Å; P55-S61 WeakPolarHBondContact O-CB 3.21Å; P55-S61 PolarHBondContact O-OG 3.03Å | ||
| 56 | D | 77.8 | Confident | 87.6 | Confident | 143 Ų | 143 | 67.7 Ų | 67.7 | 77% | 0.765 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -22.2 | -173.7 | -62 | -36.7 | 0 | 0 | 0 | 114 | L58 Q62 | D56-L58 VanDerWaalsContact C-N 3.33Å; D56-Q62 PolarHBondContact O-NE2 2.77Å; D56-Q62 VanDerWaalsContact O-NE2 3.14Å |
| 57 | N | 79.2 | Confident | 87.9 | Confident | 117 Ų | 117 | 62.9 Ų | 62.9 | 63% | 0.626 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -14.3 | -178.8 | 67.9 | -29.8 | 0 | 0 | 0 | 113.5 | P55 | P55-N57 WeakPolarHBondContact CB-OD1 3.35Å; P55-N57 PolarHBondContact O-N 3.19Å |
| 58 | L | 82.2 | Confident | 88.2 | Confident | 34 Ų | 34 | 59.5 Ų | 59.5 | 18% | 0.178 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -86 | 131.2 | -178.5 | -66.3 | -173.9 | 0 | 0 | 0 | 111.9 | P55 D56 V60 S61 Q62 Q90 | P55-L58 HydrophobicContact CB-CG 4.41Å; P55-L58 HydrophobicContact CG-CB 4.3Å; P55-L58 HydrophobicContact CG-CD1 3.46Å; P55-L58 VanDerWaalsContact CG-CD1 3.46Å; P55-L58 HydrophobicContact CG-CG 3.74Å; P55-L58 PolarHBondContact O-N 2.86Å; D56-L58 VanDerWaalsContact C-N 3.33Å; L58-V60 VanDerWaalsContact C-N 3.29Å; L58-V60 PolarHBondContact O-N 3.39Å; L58-S61 VanDerWaalsContact O-CB 3.31Å; L58-S61 WeakPolarHBondContact O-CB 3.37Å; L58-S61 PolarHBondContact O-N 3.34Å; L58-Q62 PolarHBondContact O-N 2.9Å; L58-Q90 HydrophobicContact CD1-CG 4Å |
| 59 | P | 83.2 | Confident | 88.6 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 7% | 0.065 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.7 | -38.8 | 177 | -30.7 | 36.5 | 0 | 0 | 0 | 114.9 | S61 Q62 K63 S85 V230 S231 | P59-S61 VanDerWaalsContact C-N 3.31Å; P59-S61 PolarHBondContact O-N 2.89Å; P59-Q62 WeakPolarHBondContact O-CB 3.41Å; P59-Q62 PolarHBondContact O-N 2.97Å; P59-K63 PolarHBondContact O-N 2.99Å; P59-S85 WeakPolarHBondContact CD-O 3.41Å; P59-V230 VanDerWaalsContact C-CG1 3.45Å; P59-V230 HydrophobicContact CB-CG1 3.59Å; P59-S231 WeakPolarHBondContact CB-O 3.28Å |
| 60 | V | 87 | Confident | 89 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.6 | -35.6 | 177.2 | 170.9 | 0 | 0 | 0 | 0 | 111.8 | L58 Q62 K63 K64 I67 S85 K87 Q90 I94 V230 | L58-V60 VanDerWaalsContact C-N 3.29Å; L58-V60 PolarHBondContact O-N 3.39Å; V60-Q62 VanDerWaalsContact C-N 3.28Å; V60-Q62 PolarHBondContact O-N 2.74Å; V60-K63 CarbonylContact O-C 3.59Å; V60-K63 PolarHBondContact O-N 3.47Å; V60-K64 PolarHBondContact O-N 3.41Å; V60-K64 VanDerWaalsContact O-N 3.15Å; V60-I67 HydrophobicContact CG1-CD1 3.81Å; V60-S85 WeakPolarHBondContact CB-O 3.48Å; V60-S85 VanDerWaalsContact CG2-O 3.27Å; V60-S85 WeakPolarHBondContact CG2-O 3.33Å; V60-S85 PolarHBondContact N-O 2.94Å; V60-K87 HydrophobicContact CG2-CB 4.35Å; V60-K87 HydrophobicContact CG2-CG 3.68Å; V60-Q90 HydrophobicContact CB-CB 4.39Å; V60-Q90 HydrophobicContact CG1-CB 3.73Å; V60-Q90 HydrophobicContact CG1-CG 4.49Å; V60-I94 HydrophobicContact CG1-CD1 4.13Å; V60-V230 HydrophobicContact CB-CG1 4.41Å; V60-V230 HydrophobicContact CG2-CB 4.22Å; V60-V230 HydrophobicContact CG2-CG1 3.7Å; V60-V230 HydrophobicContact CG2-CG2 4.18Å |
| 61 | S | 87 | Confident | 89.3 | Confident | 15 Ų | 15 | 55.4 Ų | 55.4 | 11% | 0.105 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.9 | -34.3 | 174.6 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | P55 L58 P59 K63 K64 | P55-S61 WeakPolarHBondContact O-CB 3.21Å; P55-S61 PolarHBondContact O-OG 3.03Å; L58-S61 VanDerWaalsContact O-CB 3.31Å; L58-S61 WeakPolarHBondContact O-CB 3.37Å; L58-S61 PolarHBondContact O-N 3.34Å; P59-S61 VanDerWaalsContact C-N 3.31Å; P59-S61 PolarHBondContact O-N 2.89Å; S61-K63 VanDerWaalsContact C-N 3.34Å; S61-K64 VanDerWaalsContact O-CB 3.22Å; S61-K64 WeakPolarHBondContact O-CB 3.09Å; S61-K64 PolarHBondContact O-N 3.41Å |
| 62 | Q | 86.8 | Confident | 89.6 | Confident | 104 Ų | 104 | 53.3 Ų | 53.3 | 49% | 0.486 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.5 | -33.2 | 178 | -66 | 170.9 | 9.6 | 0 | 0 | 112 | D56 L58 P59 V60 K64 | D56-Q62 PolarHBondContact O-NE2 2.77Å; D56-Q62 VanDerWaalsContact O-NE2 3.14Å; L58-Q62 PolarHBondContact O-N 2.9Å; P59-Q62 WeakPolarHBondContact O-CB 3.41Å; P59-Q62 PolarHBondContact O-N 2.97Å; V60-Q62 VanDerWaalsContact C-N 3.28Å; V60-Q62 PolarHBondContact O-N 2.74Å; Q62-K64 VanDerWaalsContact C-N 3.35Å |
| 63 | K | 89.1 | Confident | 89.9 | Confident | 70 Ų | 70 | 56.3 Ų | 56.3 | 30% | 0.304 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 19.6 | 173.3 | -67.8 | -156.3 | 172.1 | -167.6 | 0 | 113.9 | P59 V60 S61 Q65 D66 I67 I228 E229 V230 | P59-K63 PolarHBondContact O-N 2.99Å; V60-K63 CarbonylContact O-C 3.59Å; V60-K63 PolarHBondContact O-N 3.47Å; S61-K63 VanDerWaalsContact C-N 3.34Å; K63-Q65 VanDerWaalsContact C-N 3.29Å; K63-Q65 PolarHBondContact O-N 3.04Å; K63-D66 PolarHBondContact O-N 3.1Å; K63-I67 HydrophobicContact CB-CD1 4.19Å; K63-I67 HydrophobicContact CB-CG1 4.46Å; K63-I67 VanDerWaalsContact O-CG1 3.28Å; K63-I67 WeakPolarHBondContact O-CG1 3.31Å; K63-I67 PolarHBondContact O-N 3.35Å; K63-I228 HydrophobicContact CD-CG2 4.36Å; K63-E229 WeakPolarHBondContact CD-O 3.5Å; K63-E229 WeakPolarHBondContact CE-O 2.99Å; K63-E229 PolarHBondContact NZ-O 3.27Å; K63-V230 HydrophobicContact CD-CG2 4.37Å |
| 64 | K | 92.5 | Very high | 90.2 | Very high | 46 Ų | 46 | 57.3 Ų | 57.3 | 20% | 0.2 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -52.7 | -48 | -176.6 | -170.5 | -164.9 | 78.7 | 152.3 | 0 | 111.8 | Y54 V60 S61 Q62 I67 L68 I94 E97 | Y54-K64 HydrophobicContact CD1-CD 4.48Å; Y54-K64 HydrophobicContact CD2-CD 3.77Å; Y54-K64 HydrophobicContact CE1-CD 4.24Å; Y54-K64 HydrophobicContact CE1-CG 4.49Å; Y54-K64 HydrophobicContact CE2-CD 3.49Å; Y54-K64 VanDerWaalsContact CE2-CD 3.49Å; Y54-K64 HydrophobicContact CG-CD 4.25Å; V60-K64 PolarHBondContact O-N 3.41Å; V60-K64 VanDerWaalsContact O-N 3.15Å; S61-K64 VanDerWaalsContact O-CB 3.22Å; S61-K64 WeakPolarHBondContact O-CB 3.09Å; S61-K64 PolarHBondContact O-N 3.41Å; Q62-K64 VanDerWaalsContact C-N 3.35Å; K64-I67 PolarHBondContact O-N 3.04Å; K64-L68 WeakPolarHBondContact O-CB 3.38Å; K64-L68 PolarHBondContact O-N 2.89Å; K64-I94 HydrophobicContact CG-CD1 4.1Å; K64-I94 HydrophobicContact CG-CG1 3.9Å; K64-E97 VanDerWaalsContact NZ-CD 3.27Å; K64-E97 IonicContact NZ-OE1 2.91Å; K64-E97 PolarHBondContact NZ-OE1 3.44Å; K64-E97 IonicContact NZ-OE2 3.66Å; K64-E97 PolarHBondContact NZ-OE2 2.87Å |
| 65 | Q | 92.9 | Very high | 90.6 | Very high | 90 Ų | 90 | 58.2 Ų | 58.2 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.8 | -48.1 | -175.3 | -170.8 | 60.5 | 27.7 | 0 | 0 | 111.6 | K63 I67 L68 E69 | K63-Q65 VanDerWaalsContact C-N 3.29Å; K63-Q65 PolarHBondContact O-N 3.04Å; Q65-I67 VanDerWaalsContact C-N 3.31Å; Q65-I67 PolarHBondContact O-N 3.4Å; Q65-L68 WeakPolarHBondContact O-CB 3.47Å; Q65-L68 PolarHBondContact O-N 3.24Å; Q65-L68 VanDerWaalsContact O-N 3.17Å; Q65-E69 PolarHBondContact NE2-OE1 3.04Å; Q65-E69 WeakPolarHBondContact O-CG 3.46Å; Q65-E69 PolarHBondContact O-N 3.28Å |
| 66 | D | 93.7 | Very high | 91.2 | Very high | 84 Ų | 84 | 56.9 Ų | 56.9 | 45% | 0.449 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.2 | -44.8 | 176.8 | -55.8 | -6.5 | 0 | 0 | 0 | 111.5 | K63 A70 | K63-D66 PolarHBondContact O-N 3.1Å; D66-A70 WeakPolarHBondContact O-CB 3.44Å; D66-A70 PolarHBondContact O-N 3.42Å |
| 67 | I | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.5 | -43.6 | 178.2 | -64.6 | 166.7 | 0 | 0 | 0 | 110.9 | V60 K63 K64 Q65 A70 I71 L91 I94 I228 V230 | V60-I67 HydrophobicContact CG1-CD1 3.81Å; K63-I67 HydrophobicContact CB-CD1 4.19Å; K63-I67 HydrophobicContact CB-CG1 4.46Å; K63-I67 VanDerWaalsContact O-CG1 3.28Å; K63-I67 WeakPolarHBondContact O-CG1 3.31Å; K63-I67 PolarHBondContact O-N 3.35Å; K64-I67 PolarHBondContact O-N 3.04Å; Q65-I67 VanDerWaalsContact C-N 3.31Å; Q65-I67 PolarHBondContact O-N 3.4Å; I67-A70 PolarHBondContact O-N 3.25Å; I67-I71 HydrophobicContact CG2-CD1 3.57Å; I67-I71 HydrophobicContact CG2-CG1 4.35Å; I67-I71 WeakPolarHBondContact O-CB 3.35Å; I67-I71 WeakPolarHBondContact O-CD1 3.5Å; I67-I71 WeakPolarHBondContact O-CG1 3.47Å; I67-I71 PolarHBondContact O-N 2.84Å; I67-L91 HydrophobicContact CD1-CD2 4.35Å; I67-L91 HydrophobicContact CG2-CD2 3.65Å; I67-I94 HydrophobicContact CB-CD1 4.28Å; I67-I94 HydrophobicContact CD1-CD1 4.31Å; I67-I94 HydrophobicContact CG2-CD1 3.97Å; I67-I94 HydrophobicContact CG2-CG2 4.18Å; I67-I228 HydrophobicContact CB-CD1 4.32Å; I67-I228 HydrophobicContact CG1-CD1 4Å; I67-I228 HydrophobicContact CG1-CG2 3.95Å; I67-V230 HydrophobicContact CD1-CG2 4.14Å |
| 68 | L | 95.2 | Very high | 93 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.6 | -47 | 178.8 | -173.7 | 153.3 | 0 | 0 | 0 | 110.9 | K64 Q65 I71 R72 I94 E97 L98 | K64-L68 WeakPolarHBondContact O-CB 3.38Å; K64-L68 PolarHBondContact O-N 2.89Å; Q65-L68 WeakPolarHBondContact O-CB 3.47Å; Q65-L68 PolarHBondContact O-N 3.24Å; Q65-L68 VanDerWaalsContact O-N 3.17Å; L68-I71 PolarHBondContact O-N 3.3Å; L68-R72 WeakPolarHBondContact O-CB 3.19Å; L68-R72 PolarHBondContact O-N 3.2Å; L68-I94 HydrophobicContact CB-CG2 4.01Å; L68-I94 HydrophobicContact CG-CG2 4.48Å; L68-E97 HydrophobicContact CD1-CG 4.36Å; L68-L98 HydrophobicContact CD1-CD2 4.31Å; L68-L98 HydrophobicContact CD1-CG 4.33Å; L68-L98 HydrophobicContact CD2-CD2 3.48Å; L68-L98 VanDerWaalsContact CD2-CD2 3.48Å; L68-L98 HydrophobicContact CD2-CG 4.25Å; L68-L98 HydrophobicContact CG-CD1 4.12Å; L68-L98 HydrophobicContact CG-CD2 3.55Å; L68-L98 HydrophobicContact CG-CG 3.73Å |
| 69 | E | 96.9 | Very high | 93.6 | Very high | 75 Ų | 75 | 42.9 Ų | 42.9 | 35% | 0.35 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.2 | -46.7 | 177.6 | -70.1 | 178.1 | -176.7 | 0 | 0 | 111.5 | Q65 I71 R72 D73 | Q65-E69 PolarHBondContact NE2-OE1 3.04Å; Q65-E69 WeakPolarHBondContact O-CG 3.46Å; Q65-E69 PolarHBondContact O-N 3.28Å; E69-I71 PolarHBondContact O-N 3.11Å; E69-R72 WeakPolarHBondContact O-CB 3.38Å; E69-R72 PolarHBondContact O-N 3.1Å; E69-D73 WeakPolarHBondContact O-CB 3.37Å; E69-D73 VanDerWaalsContact O-CG 3.29Å; E69-D73 PolarHBondContact O-N 3.17Å |
| 70 | A | 96.3 | Very high | 93.9 | Very high | 12 Ų | 12 | 43 Ų | 43 | 10% | 0.099 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.2 | -45.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D66 I67 R72 D73 H74 V77 I228 | D66-A70 WeakPolarHBondContact O-CB 3.44Å; D66-A70 PolarHBondContact O-N 3.42Å; I67-A70 PolarHBondContact O-N 3.25Å; A70-R72 VanDerWaalsContact C-N 3.34Å; A70-R72 PolarHBondContact O-N 3.47Å; A70-D73 PolarHBondContact O-N 3.19Å; A70-H74 WeakPolarHBondContact O-CB 3.44Å; A70-H74 PolarHBondContact O-N 2.88Å; A70-H74 PolarHBondContact O-ND1 2.85Å; A70-H74 VanDerWaalsContact O-ND1 3.15Å; A70-V77 HydrophobicContact CB-CG1 4.07Å; A70-V77 HydrophobicContact CB-CG2 4.04Å; A70-V77 WeakPolarHBondContact O-CG2 3.46Å; A70-I228 HydrophobicContact CB-CD1 3.27Å; A70-I228 HydrophobicContact CB-CG1 4.27Å |
| 71 | I | 96.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.1 | -37.6 | 178.7 | -66 | 163.4 | 0 | 0 | 0 | 111.1 | I67 L68 E69 V77 I94 L98 K205 I207 | I67-I71 HydrophobicContact CG2-CD1 3.57Å; I67-I71 HydrophobicContact CG2-CG1 4.35Å; I67-I71 WeakPolarHBondContact O-CB 3.35Å; I67-I71 WeakPolarHBondContact O-CD1 3.5Å; I67-I71 WeakPolarHBondContact O-CG1 3.47Å; I67-I71 PolarHBondContact O-N 2.84Å; L68-I71 PolarHBondContact O-N 3.3Å; E69-I71 PolarHBondContact O-N 3.11Å; I71-V77 HydrophobicContact CG1-CB 4.48Å; I71-V77 HydrophobicContact CG1-CG2 4.21Å; I71-I94 HydrophobicContact CD1-CG2 4.18Å; I71-L98 HydrophobicContact CB-CD1 3.77Å; I71-L98 HydrophobicContact CG2-CD1 3.61Å; I71-K205 WeakPolarHBondContact O-CE 3.26Å; I71-K205 PolarHBondContact O-NZ 3.44Å; I71-I207 HydrophobicContact CD1-CD1 3.44Å; I71-I207 VanDerWaalsContact CD1-CD1 3.44Å; I71-I207 HydrophobicContact CD1-CG1 4.29Å; I71-I207 HydrophobicContact CG1-CD1 3.79Å; I71-I207 HydrophobicContact CG1-CG1 4.15Å; I71-I207 HydrophobicContact CG2-CD1 4.36Å |
| 72 | R | 95.9 | Very high | 93.3 | Very high | 123 Ų | 123 | 47 Ų | 47 | 46% | 0.464 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.3 | -49.5 | 175.8 | -175.2 | -173.8 | 65.3 | -150.5 | -9.9 | 110.2 | L68 E69 A70 L98 K205 | L68-R72 WeakPolarHBondContact O-CB 3.19Å; L68-R72 PolarHBondContact O-N 3.2Å; E69-R72 WeakPolarHBondContact O-CB 3.38Å; E69-R72 PolarHBondContact O-N 3.1Å; A70-R72 VanDerWaalsContact C-N 3.34Å; A70-R72 PolarHBondContact O-N 3.47Å; R72-L98 HydrophobicContact CB-CD2 4.21Å; R72-K205 PolarHBondContact O-NZ 2.98Å |
| 73 | D | 96.6 | Very high | 92.7 | Very high | 96 Ų | 96 | 43 Ų | 43 | 51% | 0.513 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -90.1 | -20.1 | -164.9 | -59.5 | -21.1 | 0 | 0 | 0 | 113.3 | E69 A70 | E69-D73 WeakPolarHBondContact O-CB 3.37Å; E69-D73 VanDerWaalsContact O-CG 3.29Å; E69-D73 PolarHBondContact O-N 3.17Å; A70-D73 PolarHBondContact O-N 3.19Å |
| 74 | H | 97.4 | Very high | 91.9 | Very high | 86 Ų | 86 | 42.5 Ų | 42.5 | 40% | 0.398 | 22% | 0.223 | S | C | . | . | trans | -121.5 | 144.6 | -177.8 | -55.2 | 82.5 | 0 | 0 | 0 | 112.5 | A70 V77 K205 P226 | A70-H74 WeakPolarHBondContact O-CB 3.44Å; A70-H74 PolarHBondContact O-N 2.88Å; A70-H74 PolarHBondContact O-ND1 2.85Å; A70-H74 VanDerWaalsContact O-ND1 3.15Å; H74-V77 HydrophobicContact CB-CG2 4.12Å; H74-K205 VanDerWaalsContact C-NZ 3.26Å; H74-K205 WeakPolarHBondContact O-CD 3.17Å; H74-K205 PolarHBondContact O-NZ 3.26Å; H74-P226 HydrophobicContact CB-CG 3.89Å | ||
| 75 | Q | 97.5 | Very high | 91.3 | Very high | 61 Ų | 61 | 40.4 Ų | 40.4 | 29% | 0.285 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -71.1 | -35.8 | 179.1 | -162.6 | -175 | 19.4 | 0 | 0 | 112.2 | L198 R201 P202 L204 K205 I206 | Q75-L198 VanDerWaalsContact CD-CD2 3.46Å; Q75-L198 HydrophobicContact CG-CD2 3.88Å; Q75-L198 VanDerWaalsContact NE2-CD2 3.3Å; Q75-L198 PolarHBondContact NE2-O 3.32Å; Q75-R201 PolarHBondContact NE2-O 2.89Å; Q75-P202 VanDerWaalsContact NE2-CA 3.33Å; Q75-L204 WeakPolarHBondContact CG-O 2.8Å; Q75-L204 PolarHBondContact NE2-O 2.6Å; Q75-K205 CarbonylContact O-C 3.59Å; Q75-K205 WeakPolarHBondContact O-CA 3.38Å; Q75-I206 PolarHBondContact O-N 2.96Å |
| 76 | V | 98.4 | Very high | 91 | Very high | 12 Ų | 12 | 36.5 Ų | 36.5 | 7% | 0.073 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136 | 177.9 | -172.8 | 0 | 0 | 0 | 0 | 108.8 | L198 I206 I208 F222 A225 P226 | V76-L198 HydrophobicContact CG2-CD1 3.47Å; V76-L198 VanDerWaalsContact CG2-CD1 3.47Å; V76-I206 CarbonylContact C-O 3.2Å; V76-I206 VanDerWaalsContact CA-O 3.27Å; V76-I206 WeakPolarHBondContact CA-O 3.21Å; V76-I206 HydrophobicContact CG1-CB 4.25Å; V76-I206 HydrophobicContact CG1-CG2 4.43Å; V76-I206 HydrophobicContact CG2-CB 4.17Å; V76-I206 HydrophobicContact CG2-CG1 4.48Å; V76-I208 HydrophobicContact CG1-CD1 4.24Å; V76-F222 HydrophobicContact CB-CB 4.18Å; V76-F222 HydrophobicContact CB-CG 4.47Å; V76-F222 HydrophobicContact CG1-CB 3.84Å; V76-F222 HydrophobicContact CG1-CD1 4.22Å; V76-F222 HydrophobicContact CG1-CD2 4.2Å; V76-F222 HydrophobicContact CG1-CG 3.83Å; V76-F222 HydrophobicContact CG2-CB 4.24Å; V76-F222 HydrophobicContact CG2-CD1 3.95Å; V76-F222 HydrophobicContact CG2-CG 4.27Å; V76-A225 HydrophobicContact CB-CB 3.94Å; V76-A225 HydrophobicContact CG1-CB 3.96Å; V76-P226 WeakPolarHBondContact O-CD 3.27Å |
| 77 | V | 97.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 136.9 | 175.3 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | A70 I71 H74 V79 I206 I207 I208 P226 I228 | A70-V77 HydrophobicContact CB-CG1 4.07Å; A70-V77 HydrophobicContact CB-CG2 4.04Å; A70-V77 WeakPolarHBondContact O-CG2 3.46Å; I71-V77 HydrophobicContact CG1-CB 4.48Å; I71-V77 HydrophobicContact CG1-CG2 4.21Å; H74-V77 HydrophobicContact CB-CG2 4.12Å; V77-V79 HydrophobicContact CG1-CG2 4.17Å; V77-I206 PolarHBondContact N-O 3.34Å; V77-I207 WeakPolarHBondContact O-CA 3.34Å; V77-I208 PolarHBondContact O-N 2.91Å; V77-P226 HydrophobicContact CG2-CG 4.26Å; V77-I228 HydrophobicContact CG1-CD1 3.89Å; V77-I228 HydrophobicContact CG1-CG1 4.43Å |
| 78 | I | 96.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 126.4 | 174.9 | -64.2 | 147.9 | 0 | 0 | 0 | 108.4 | I208 P215 F218 A225 P226 I227 I228 | I78-I208 CarbonylContact C-O 3.59Å; I78-I208 WeakPolarHBondContact CA-O 3.38Å; I78-I208 HydrophobicContact CG1-CB 4.22Å; I78-I208 HydrophobicContact CG1-CD1 4.5Å; I78-P215 HydrophobicContact CG2-CB 3.81Å; I78-F218 VanDerWaalsContact CD1-C 3.41Å; I78-F218 HydrophobicContact CD1-CB 3.79Å; I78-F218 HydrophobicContact CG1-CB 4.08Å; I78-A225 HydrophobicContact CD1-CB 4.06Å; I78-P226 PolarHBondContact N-O 3.01Å; I78-I227 HydrophobicContact CB-CG1 4.2Å; I78-I227 HydrophobicContact CD1-CG1 4.25Å; I78-I227 HydrophobicContact CG2-CG1 4.39Å; I78-I227 HydrophobicContact CG2-CG2 4.45Å; I78-I227 CarbonylContact O-C 3.58Å; I78-I227 WeakPolarHBondContact O-CA 3.32Å; I78-I228 PolarHBondContact O-N 2.91Å |
| 79 | V | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 100.9 | 178.2 | -173.7 | 0 | 0 | 0 | 0 | 108.2 | V77 K87 L91 I207 I208 T209 S210 I228 V230 | V77-V79 HydrophobicContact CG1-CG2 4.17Å; V79-K87 HydrophobicContact CG1-CD 3.98Å; V79-K87 HydrophobicContact CG1-CG 4.06Å; V79-L91 HydrophobicContact CB-CD1 4.25Å; V79-L91 HydrophobicContact CG1-CD1 4.36Å; V79-L91 HydrophobicContact CG1-CD2 4.43Å; V79-L91 HydrophobicContact CG2-CD1 4.32Å; V79-L91 HydrophobicContact CG2-CD2 4.07Å; V79-I207 HydrophobicContact CG2-CG2 3.98Å; V79-I208 PolarHBondContact N-O 2.87Å; V79-T209 WeakPolarHBondContact O-CA 3.41Å; V79-S210 PolarHBondContact O-N 3.41Å; V79-S210 VanDerWaalsContact O-N 3.16Å; V79-I228 WeakPolarHBondContact CA-O 3.48Å; V79-V230 HydrophobicContact CG1-CG2 3.87Å |
| 80 | A | 90.3 | Very high | 90.3 | Very high | 12 Ų | 12 | 30.9 Ų | 30.9 | 10% | 0.099 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 140.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | S210 P215 I227 I228 E229 V230 | A80-S210 WeakPolarHBondContact CA-O 3.14Å; A80-P215 HydrophobicContact CB-CB 3.92Å; A80-P215 HydrophobicContact CB-CG 4.04Å; A80-I227 HydrophobicContact CB-CG2 4.25Å; A80-I228 PolarHBondContact N-O 3.04Å; A80-E229 HydrophobicContact CB-CG 4.42Å; A80-E229 CarbonylContact O-C 3.5Å; A80-E229 WeakPolarHBondContact O-CA 3.31Å; A80-V230 PolarHBondContact O-N 3.32Å |
| 81 | G | 83.6 | Confident | 90.3 | Very high | 11 Ų | 11 | 30.3 Ų | 30.3 | 11% | 0.113 | 17% | 0.168 | C | C | . | . | trans | 167.2 | 154.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K87 S210 A211 V230 | G81-K87 WeakPolarHBondContact O-CE 3.2Å; G81-K87 PolarHBondContact O-NZ 3.48Å; G81-S210 PolarHBondContact N-O 2.9Å; G81-A211 VanDerWaalsContact O-CA 3.31Å; G81-A211 WeakPolarHBondContact O-CA 3.44Å; G81-V230 VanDerWaalsContact CA-O 3.29Å; G81-V230 WeakPolarHBondContact CA-O 3.48Å | ||
| 82 | E | 77.4 | Confident | 90.3 | Very high | 89 Ų | 89 | 30.2 Ų | 30.2 | 42% | 0.416 | 17% | 0.168 | S | C | . | . | trans | -58.7 | 157.7 | -173.4 | -62.3 | -177.6 | 172.2 | 0 | 0 | 113.6 | G84 S85 K87 T234 | E82-G84 PolarHBondContact O-N 2.74Å; E82-S85 WeakPolarHBondContact O-CB 3.38Å; E82-S85 PolarHBondContact O-N 2.86Å; E82-S85 PolarHBondContact O-OG 2.96Å; E82-K87 PolarHBondContact O-NZ 2.83Å; E82-T234 WeakPolarHBondContact OE2-CG2 3.3Å; E82-T234 PolarHBondContact OE2-OG1 2.84Å | ||
| 83 | T | 73.6 | Confident | 90.3 | Very high | 20 Ų | 20 | 24.4 Ų | 24.4 | 12% | 0.123 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 137.1 | 171 | 57.2 | 0 | 0 | 0 | 0 | 110.5 | A211 R383 | T83-A211 HydrophobicContact CG2-CB 3.82Å; T83-R383 PolarHBondContact OG1-NH2 2.85Å |
| 84 | G | 73.2 | Confident | 90.3 | Very high | 58 Ų | 58 | 19.9 Ų | 19.9 | 60% | 0.598 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 95.6 | -10.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E82 G86 | E82-G84 PolarHBondContact O-N 2.74Å; G84-G86 PolarHBondContact O-N 2.89Å; G84-G86 VanDerWaalsContact O-N 3.12Å |
| 85 | S | 79.8 | Confident | 90.3 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.014 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -66 | -13.2 | 176.1 | 62.5 | 0 | 0 | 0 | 0 | 114.8 | P59 V60 E82 K87 | P59-S85 WeakPolarHBondContact CD-O 3.41Å; V60-S85 WeakPolarHBondContact CB-O 3.48Å; V60-S85 VanDerWaalsContact CG2-O 3.27Å; V60-S85 WeakPolarHBondContact CG2-O 3.33Å; V60-S85 PolarHBondContact N-O 2.94Å; E82-S85 WeakPolarHBondContact O-CB 3.38Å; E82-S85 PolarHBondContact O-N 2.86Å; E82-S85 PolarHBondContact O-OG 2.96Å; S85-K87 WeakPolarHBondContact OG-CG 3.39Å; S85-K87 PolarHBondContact OG-NZ 3.06Å; S85-K87 VanDerWaalsContact OG-NZ 3.14Å |
| 86 | G | 85.6 | Confident | 90.2 | Very high | 9 Ų | 9 | 12.9 Ų | 12.9 | 9% | 0.093 | 9% | 0.089 | C | C | . | . | S | Bend | trans | 98.6 | 4.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | G84 T88 T89 Q90 | G84-G86 PolarHBondContact O-N 2.89Å; G84-G86 VanDerWaalsContact O-N 3.12Å; G86-T88 PolarHBondContact O-N 3.46Å; G86-T89 PolarHBondContact O-N 2.92Å; G86-T89 PolarHBondContact O-OG1 2.8Å; G86-Q90 WeakPolarHBondContact O-CB 3.42Å; G86-Q90 WeakPolarHBondContact O-CG 3.42Å; G86-Q90 PolarHBondContact O-N 2.75Å |
| 87 | K | 89.7 | Confident | 90 | Very high | 4 Ų | 4 | 15.5 Ų | 15.5 | 2% | 0.017 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -50.6 | -57.3 | -176.2 | -66.9 | 178.2 | -48.3 | -60.9 | 0 | 112.2 | V60 V79 G81 E82 S85 T89 Q90 L91 | V60-K87 HydrophobicContact CG2-CB 4.35Å; V60-K87 HydrophobicContact CG2-CG 3.68Å; V79-K87 HydrophobicContact CG1-CD 3.98Å; V79-K87 HydrophobicContact CG1-CG 4.06Å; G81-K87 WeakPolarHBondContact O-CE 3.2Å; G81-K87 PolarHBondContact O-NZ 3.48Å; E82-K87 PolarHBondContact O-NZ 2.83Å; S85-K87 WeakPolarHBondContact OG-CG 3.39Å; S85-K87 PolarHBondContact OG-NZ 3.06Å; S85-K87 VanDerWaalsContact OG-NZ 3.14Å; K87-T89 VanDerWaalsContact C-N 3.29Å; K87-T89 PolarHBondContact O-N 3.47Å; K87-Q90 PolarHBondContact O-N 2.96Å; K87-L91 HydrophobicContact CB-CD1 3.92Å; K87-L91 HydrophobicContact CB-CG 4.48Å; K87-L91 VanDerWaalsContact O-CB 3.25Å; K87-L91 WeakPolarHBondContact O-CB 3.38Å; K87-L91 WeakPolarHBondContact O-CG 3.46Å; K87-L91 PolarHBondContact O-N 2.84Å |
| 88 | T | 90 | Very high | 89.8 | Confident | 29 Ų | 29 | 17.7 Ų | 17.7 | 18% | 0.178 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.4 | -37.2 | -176.9 | -52.2 | 0 | 0 | 0 | 0 | 113.3 | G86 H108 V119 D178 | G86-T88 PolarHBondContact O-N 3.46Å; T88-H108 PolarHBondContact O-CE1 3.04Å; T88-V119 HydrophobicContact CG2-CB 4.16Å; T88-V119 HydrophobicContact CG2-CG1 3.56Å; T88-V119 HydrophobicContact CG2-CG2 3.43Å; T88-V119 VanDerWaalsContact CG2-CG2 3.43Å; T88-D178 VanDerWaalsContact CB-OD2 3.25Å; T88-D178 WeakPolarHBondContact CB-OD2 3.29Å; T88-D178 WeakPolarHBondContact CG2-OD2 3.39Å; T88-D178 PolarHBondContact OG1-OD2 3.1Å |
| 89 | T | 91.2 | Very high | 89.6 | Confident | 22 Ų | 22 | 19.2 Ų | 19.2 | 14% | 0.135 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -93.6 | -31.7 | -177.2 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | G86 K87 R122 I123 | G86-T89 PolarHBondContact O-N 2.92Å; G86-T89 PolarHBondContact O-OG1 2.8Å; K87-T89 VanDerWaalsContact C-N 3.29Å; K87-T89 PolarHBondContact O-N 3.47Å; T89-R122 HydrophobicContact CG2-CB 4.49Å; T89-R122 HydrophobicContact CG2-CG 3.95Å; T89-I123 HydrophobicContact CG2-CG1 4.27Å |
| 90 | Q | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -95.7 | -30 | -173.1 | -53 | -42.5 | -54.9 | 0 | 0 | 113.7 | L58 V60 G86 K87 K93 I94 E126 | L58-Q90 HydrophobicContact CD1-CG 4Å; V60-Q90 HydrophobicContact CB-CB 4.39Å; V60-Q90 HydrophobicContact CG1-CB 3.73Å; V60-Q90 HydrophobicContact CG1-CG 4.49Å; G86-Q90 WeakPolarHBondContact O-CB 3.42Å; G86-Q90 WeakPolarHBondContact O-CG 3.42Å; G86-Q90 PolarHBondContact O-N 2.75Å; K87-Q90 PolarHBondContact O-N 2.96Å; Q90-K93 WeakPolarHBondContact O-CB 3.48Å; Q90-K93 PolarHBondContact O-N 2.67Å; Q90-K93 VanDerWaalsContact O-N 3.11Å; Q90-I94 WeakPolarHBondContact O-CG1 3.31Å; Q90-I94 PolarHBondContact O-N 2.79Å; Q90-E126 PolarHBondContact NE2-OE2 2.9Å |
| 91 | L | 96 | Very high | 89.8 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.4 | -43.1 | 179.1 | -70 | 171.9 | 0 | 0 | 0 | 113.6 | I67 V79 K87 K93 I94 C95 I176 I207 T209 | I67-L91 HydrophobicContact CD1-CD2 4.35Å; I67-L91 HydrophobicContact CG2-CD2 3.65Å; V79-L91 HydrophobicContact CB-CD1 4.25Å; V79-L91 HydrophobicContact CG1-CD1 4.36Å; V79-L91 HydrophobicContact CG1-CD2 4.43Å; V79-L91 HydrophobicContact CG2-CD1 4.32Å; V79-L91 HydrophobicContact CG2-CD2 4.07Å; K87-L91 HydrophobicContact CB-CD1 3.92Å; K87-L91 HydrophobicContact CB-CG 4.48Å; K87-L91 VanDerWaalsContact O-CB 3.25Å; K87-L91 WeakPolarHBondContact O-CB 3.38Å; K87-L91 WeakPolarHBondContact O-CG 3.46Å; K87-L91 PolarHBondContact O-N 2.84Å; L91-K93 VanDerWaalsContact C-N 3.26Å; L91-K93 PolarHBondContact O-N 3.17Å; L91-I94 HydrophobicContact CD2-CD1 4.43Å; L91-I94 PolarHBondContact O-N 3.45Å; L91-C95 PolarHBondContact O-N 2.89Å; L91-C95 PolarHBondContact O-SG 2.8Å; L91-I176 HydrophobicContact CB-CD1 4.33Å; L91-I207 HydrophobicContact CD1-CG2 4.18Å; L91-T209 HydrophobicContact CD1-CG2 3.42Å; L91-T209 VanDerWaalsContact CD1-CG2 3.42Å |
| 92 | P | 96.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.4 | -37 | 175.3 | -23.6 | 34.6 | 0 | 0 | 0 | 112.5 | C95 M96 H108 I123 V151 I176 | P92-C95 WeakPolarHBondContact O-CB 3.07Å; P92-C95 PolarHBondContact O-N 3.16Å; P92-M96 WeakPolarHBondContact O-CG 3.41Å; P92-M96 PolarHBondContact O-N 2.8Å; P92-H108 WeakPolarHBondContact CG-ND1 3.43Å; P92-I123 HydrophobicContact CB-CD1 4.39Å; P92-I123 HydrophobicContact CG-CD1 3.98Å; P92-V151 HydrophobicContact CB-CG1 3.87Å; P92-V151 HydrophobicContact CB-CG2 4.16Å; P92-I176 HydrophobicContact CB-CD1 4.32Å; P92-I176 HydrophobicContact CG-CD1 3.91Å |
| 93 | K | 96.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 23 Ų | 23 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.8 | -43.9 | 176.8 | -61.9 | -174.8 | -167.5 | 171 | 0 | 112.1 | I52 T53 Y54 Q90 L91 C95 M96 E97 I123 E126 L127 | I52-K93 HydrophobicContact CG2-CB 3.77Å; I52-K93 HydrophobicContact CG2-CD 4.28Å; I52-K93 HydrophobicContact CG2-CG 4.42Å; T53-K93 PolarHBondContact O-NZ 3.03Å; Y54-K93 HydrophobicContact CE1-CB 3.85Å; Y54-K93 HydrophobicContact CE1-CD 4.41Å; Y54-K93 VanDerWaalsContact OH-C 3.27Å; Y54-K93 PolarHBondContact OH-O 2.81Å; Q90-K93 WeakPolarHBondContact O-CB 3.48Å; Q90-K93 PolarHBondContact O-N 2.67Å; Q90-K93 VanDerWaalsContact O-N 3.11Å; L91-K93 VanDerWaalsContact C-N 3.26Å; L91-K93 PolarHBondContact O-N 3.17Å; K93-C95 PolarHBondContact O-N 2.97Å; K93-M96 WeakPolarHBondContact O-CA 3.44Å; K93-M96 WeakPolarHBondContact O-CB 3.3Å; K93-M96 PolarHBondContact O-N 3.32Å; K93-E97 PolarHBondContact O-N 3.34Å; K93-I123 HydrophobicContact CG-CG2 4.44Å; K93-E126 WeakPolarHBondContact CE-OE2 3.46Å; K93-E126 IonicContact NZ-OE2 2.79Å; K93-E126 PolarHBondContact NZ-OE2 3.14Å; K93-L127 HydrophobicContact CD-CD2 4.05Å; K93-L127 HydrophobicContact CG-CD2 4.25Å |
| 94 | I | 96.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.7 | -41.4 | 174.1 | -65.1 | 166.9 | 0 | 0 | 0 | 110.5 | Y54 V60 K64 I67 L68 I71 Q90 L91 E97 L98 | Y54-I94 HydrophobicContact CE1-CG1 3.79Å; Y54-I94 VanDerWaalsContact OH-CA 3.31Å; Y54-I94 WeakPolarHBondContact OH-CA 3.14Å; Y54-I94 PolarHBondContact OH-N 2.96Å; V60-I94 HydrophobicContact CG1-CD1 4.13Å; K64-I94 HydrophobicContact CG-CD1 4.1Å; K64-I94 HydrophobicContact CG-CG1 3.9Å; I67-I94 HydrophobicContact CB-CD1 4.28Å; I67-I94 HydrophobicContact CD1-CD1 4.31Å; I67-I94 HydrophobicContact CG2-CD1 3.97Å; I67-I94 HydrophobicContact CG2-CG2 4.18Å; L68-I94 HydrophobicContact CB-CG2 4.01Å; L68-I94 HydrophobicContact CG-CG2 4.48Å; I71-I94 HydrophobicContact CD1-CG2 4.18Å; Q90-I94 WeakPolarHBondContact O-CG1 3.31Å; Q90-I94 PolarHBondContact O-N 2.79Å; L91-I94 HydrophobicContact CD2-CD1 4.43Å; L91-I94 PolarHBondContact O-N 3.45Å; I94-E97 PolarHBondContact O-N 2.86Å; I94-L98 PolarHBondContact O-N 3.01Å; I94-L98 VanDerWaalsContact O-N 3.09Å |
| 95 | C | 97.2 | Very high | 93 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.8 | -43.9 | 174 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | L91 P92 K93 E97 L98 G99 R100 I106 I207 | L91-C95 PolarHBondContact O-N 2.89Å; L91-C95 PolarHBondContact O-SG 2.8Å; P92-C95 WeakPolarHBondContact O-CB 3.07Å; P92-C95 PolarHBondContact O-N 3.16Å; K93-C95 PolarHBondContact O-N 2.97Å; C95-E97 VanDerWaalsContact C-N 3.33Å; C95-E97 PolarHBondContact O-N 3.1Å; C95-L98 WeakPolarHBondContact O-CB 3.27Å; C95-L98 PolarHBondContact O-N 2.94Å; C95-G99 PolarHBondContact O-N 3.05Å; C95-R100 HydrophobicContact CB-CB 4.03Å; C95-R100 HydrophobicContact CB-CG 4.37Å; C95-R100 WeakPolarHBondContact O-CA 3.49Å; C95-R100 WeakPolarHBondContact O-CB 3.45Å; C95-R100 WeakPolarHBondContact O-CG 3.47Å; C95-R100 PolarHBondContact O-N 3.43Å; C95-I106 HydrophobicContact CB-CD1 3.59Å; C95-I106 HydrophobicContact CB-CG1 4.11Å; C95-I207 WeakPolarHBondContact SG-CD1 3.45Å |
| 96 | M | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62 | -38.8 | 175.8 | -68.6 | 172.4 | 69 | 0 | 0 | 112.3 | R49 P50 I52 P92 K93 L98 G99 I106 L127 I135 M150 V151 | R49-M96 WeakPolarHBondContact CD-O 3.19Å; R49-M96 HydrophobicContact CG-CE 4.49Å; R49-M96 PolarHBondContact NH1-O 2.94Å; P50-M96 HydrophobicContact CG-CE 3.77Å; I52-M96 HydrophobicContact CD1-CB 3.59Å; P92-M96 WeakPolarHBondContact O-CG 3.41Å; P92-M96 PolarHBondContact O-N 2.8Å; K93-M96 WeakPolarHBondContact O-CA 3.44Å; K93-M96 WeakPolarHBondContact O-CB 3.3Å; K93-M96 PolarHBondContact O-N 3.32Å; M96-L98 VanDerWaalsContact C-N 3.31Å; M96-L98 PolarHBondContact O-N 3.17Å; M96-G99 PolarHBondContact O-N 3.04Å; M96-I106 HydrophobicContact CG-CD1 3.64Å; M96-L127 HydrophobicContact CE-CD1 4.22Å; M96-L127 HydrophobicContact SD-CD1 4.17Å; M96-I135 HydrophobicContact SD-CD1 4.15Å; M96-M150 HydrophobicContact CE-SD 4.07Å; M96-V151 HydrophobicContact CG-CG2 3.86Å; M96-V151 HydrophobicContact SD-CG2 3.48Å; M96-V151 WeakPolarHBondContact SD-CG2 3.4Å |
| 97 | E | 94.8 | Very high | 94.5 | Very high | 68 Ų | 68 | 19.5 Ų | 19.5 | 32% | 0.318 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -60.6 | -42.7 | 175.8 | -171.2 | 177 | 165.4 | 0 | 0 | 110.6 | R49 I52 Y54 K64 L68 K93 I94 C95 G99 | R49-E97 PolarHBondContact NH1-O 3.41Å; I52-E97 HydrophobicContact CD1-CB 3.9Å; I52-E97 VanDerWaalsContact CD1-N 3.28Å; Y54-E97 VanDerWaalsContact CE2-OE2 3.26Å; Y54-E97 WeakPolarHBondContact CE2-OE2 3.44Å; Y54-E97 PolarHBondContact OH-OE2 2.89Å; K64-E97 VanDerWaalsContact NZ-CD 3.27Å; K64-E97 IonicContact NZ-OE1 2.91Å; K64-E97 PolarHBondContact NZ-OE1 3.44Å; K64-E97 IonicContact NZ-OE2 3.66Å; K64-E97 PolarHBondContact NZ-OE2 2.87Å; L68-E97 HydrophobicContact CD1-CG 4.36Å; K93-E97 PolarHBondContact O-N 3.34Å; I94-E97 PolarHBondContact O-N 2.86Å; C95-E97 VanDerWaalsContact C-N 3.33Å; C95-E97 PolarHBondContact O-N 3.1Å; E97-G99 PolarHBondContact O-N 3.49Å |
| 98 | L | 93.9 | Very high | 94.9 | Very high | 46 Ų | 46 | 19.3 Ų | 19.3 | 24% | 0.241 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 1.2 | 172.7 | -76.7 | 172.1 | 0 | 0 | 0 | 115.2 | L68 I71 R72 I94 C95 M96 R100 | L68-L98 HydrophobicContact CD1-CD2 4.31Å; L68-L98 HydrophobicContact CD1-CG 4.33Å; L68-L98 HydrophobicContact CD2-CD2 3.48Å; L68-L98 VanDerWaalsContact CD2-CD2 3.48Å; L68-L98 HydrophobicContact CD2-CG 4.25Å; L68-L98 HydrophobicContact CG-CD1 4.12Å; L68-L98 HydrophobicContact CG-CD2 3.55Å; L68-L98 HydrophobicContact CG-CG 3.73Å; I71-L98 HydrophobicContact CB-CD1 3.77Å; I71-L98 HydrophobicContact CG2-CD1 3.61Å; R72-L98 HydrophobicContact CB-CD2 4.21Å; I94-L98 PolarHBondContact O-N 3.01Å; I94-L98 VanDerWaalsContact O-N 3.09Å; C95-L98 WeakPolarHBondContact O-CB 3.27Å; C95-L98 PolarHBondContact O-N 2.94Å; M96-L98 VanDerWaalsContact C-N 3.31Å; M96-L98 PolarHBondContact O-N 3.17Å; L98-R100 VanDerWaalsContact C-N 3.3Å; L98-R100 HydrophobicContact CB-CG 4.3Å; L98-R100 PolarHBondContact O-N 3.04Å |
| 99 | G | 92.8 | Very high | 95.2 | Very high | 32 Ų | 32 | 17.9 Ų | 17.9 | 33% | 0.33 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 15.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | C95 M96 E97 | C95-G99 PolarHBondContact O-N 3.05Å; M96-G99 PolarHBondContact O-N 3.04Å; E97-G99 PolarHBondContact O-N 3.49Å |
| 100 | R | 95.1 | Very high | 95.4 | Very high | 55 Ų | 55 | 16.9 Ų | 16.9 | 21% | 0.208 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 155.5 | 169.1 | -54.8 | -62.5 | 178.4 | 164.7 | -9.1 | 110.3 | C95 L98 I102 I106 T174 D203 K205 | C95-R100 HydrophobicContact CB-CB 4.03Å; C95-R100 HydrophobicContact CB-CG 4.37Å; C95-R100 WeakPolarHBondContact O-CA 3.49Å; C95-R100 WeakPolarHBondContact O-CB 3.45Å; C95-R100 WeakPolarHBondContact O-CG 3.47Å; C95-R100 PolarHBondContact O-N 3.43Å; L98-R100 VanDerWaalsContact C-N 3.3Å; L98-R100 HydrophobicContact CB-CG 4.3Å; L98-R100 PolarHBondContact O-N 3.04Å; R100-I102 VanDerWaalsContact C-N 3.26Å; R100-I102 PolarHBondContact O-N 2.89Å; R100-I106 HydrophobicContact CB-CD1 4.08Å; R100-I106 HydrophobicContact CB-CG1 3.98Å; R100-T174 WeakPolarHBondContact CB-OG1 3.05Å; R100-T174 WeakPolarHBondContact CD-OG1 3.28Å; R100-T174 WeakPolarHBondContact CG-OG1 3.47Å; R100-D203 PolarHBondContact NH1-O 2.98Å; R100-K205 VanDerWaalsContact CZ-CG 3.41Å |
| 101 | G | 93.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 4.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R45 G104 D173 | R45-G101 PolarHBondContact NH2-O 2.82Å; G101-G104 CarbonylContact C-O 3.52Å; G101-G104 WeakPolarHBondContact CA-O 3.14Å; G101-D173 WeakPolarHBondContact CA-OD2 3.13Å; G101-D173 PolarHBondContact N-OD1 3.28Å; G101-D173 VanDerWaalsContact N-OD1 3.08Å; G101-D173 PolarHBondContact N-OD2 3.44Å |
| 102 | I | 92.7 | Very high | 94.6 | Very high | 7 Ų | 7 | 21.7 Ų | 21.7 | 4% | 0.036 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -91.9 | -52.8 | 177 | -59.4 | -56.1 | 0 | 0 | 0 | 111.1 | V42 R45 E46 R100 M150 | V42-I102 HydrophobicContact CG1-CG2 3.98Å; R45-I102 HydrophobicContact CB-CG2 4.29Å; R45-I102 PolarHBondContact NE-O 3.16Å; E46-I102 HydrophobicContact CB-CG2 4.21Å; R100-I102 VanDerWaalsContact C-N 3.26Å; R100-I102 PolarHBondContact O-N 2.89Å; I102-M150 HydrophobicContact CD1-CE 4.09Å; I102-M150 HydrophobicContact CD1-SD 3.92Å |
| 103 | K | 91.4 | Very high | 94.1 | Very high | 130 Ų | 130 | 25.8 Ų | 25.8 | 57% | 0.565 | 12% | 0.122 | S | C | * | . | S | Bend | trans | -86.5 | -22.3 | -178.1 | -67 | 177.9 | -176.8 | 171.6 | 0 | 112.6 | M1 L2 V42 | M1-K103 CarbonylContact C-O 3.48Å; M1-K103 VanDerWaalsContact CA-O 3.28Å; M1-K103 WeakPolarHBondContact CA-O 3.25Å; L2-K103 HydrophobicContact CG-CB 4.42Å; L2-K103 PolarHBondContact N-O 3.28Å; V42-K103 HydrophobicContact CG1-CG 4.36Å |
| 104 | G | 93.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -137.2 | -159 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | G101 Q171 D173 | G101-G104 CarbonylContact C-O 3.52Å; G101-G104 WeakPolarHBondContact CA-O 3.14Å; G104-Q171 CarbonylContact C-O 3.55Å; G104-Q171 WeakPolarHBondContact CA-O 3.33Å; G104-D173 PolarHBondContact N-OD2 3.44Å |
| 105 | L | 95.9 | Very high | 92.8 | Very high | 14 Ų | 14 | 27.8 Ų | 27.8 | 7% | 0.073 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 153.3 | 170.3 | -58.9 | -179.2 | 0 | 0 | 0 | 110.6 | T149 M150 K152 Q171 Y172 D173 T174 | L105-T149 WeakPolarHBondContact CD2-O 3.17Å; L105-M150 WeakPolarHBondContact CA-O 3.4Å; L105-K152 HydrophobicContact CD1-CB 4.27Å; L105-K152 HydrophobicContact CD1-CD 4.11Å; L105-Q171 HydrophobicContact CD1-CG 3.84Å; L105-Q171 HydrophobicContact CG-CG 4.25Å; L105-Q171 PolarHBondContact N-O 3.01Å; L105-Y172 HydrophobicContact CB-CD1 3.76Å; L105-Y172 HydrophobicContact CB-CE1 3.95Å; L105-Y172 HydrophobicContact CD1-CE1 4.33Å; L105-Y172 VanDerWaalsContact O-CA 3.31Å; L105-Y172 WeakPolarHBondContact O-CA 3.33Å; L105-D173 PolarHBondContact O-N 2.77Å; L105-T174 PolarHBondContact O-N 3.19Å |
| 106 | I | 98.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 106 | 158.1 | -61.3 | 156.1 | 0 | 0 | 0 | 106.4 | C95 M96 R100 M150 V151 K152 T174 I176 | C95-I106 HydrophobicContact CB-CD1 3.59Å; C95-I106 HydrophobicContact CB-CG1 4.11Å; M96-I106 HydrophobicContact CG-CD1 3.64Å; R100-I106 HydrophobicContact CB-CD1 4.08Å; R100-I106 HydrophobicContact CB-CG1 3.98Å; I106-M150 PolarHBondContact N-O 2.97Å; I106-V151 HydrophobicContact CB-CG1 4.5Å; I106-V151 HydrophobicContact CB-CG2 4.23Å; I106-V151 HydrophobicContact CD1-CG2 3.9Å; I106-V151 HydrophobicContact CG2-CG1 4.43Å; I106-V151 WeakPolarHBondContact O-CA 3.35Å; I106-K152 PolarHBondContact O-N 3.32Å; I106-T174 CarbonylContact C-O 3.5Å; I106-T174 WeakPolarHBondContact CA-O 3Å; I106-T174 HydrophobicContact CG2-CG2 4.47Å; I106-I176 HydrophobicContact CG2-CD1 3.86Å; I106-I176 HydrophobicContact CG2-CG1 4.24Å |
| 107 | G | 98.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 119 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | T174 I175 I176 | G107-T174 PolarHBondContact N-O 2.72Å; G107-I175 CarbonylContact O-C 3.33Å; G107-I175 VanDerWaalsContact O-CA 3.27Å; G107-I175 WeakPolarHBondContact O-CA 3.28Å; G107-I176 PolarHBondContact O-N 3.29Å |
| 108 | H | 98.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 108 | -178.5 | -178 | -156.1 | 0 | 0 | 0 | 109.4 | T88 P92 Q110 K152 L153 M154 I176 D178 | T88-H108 PolarHBondContact O-CE1 3.04Å; P92-H108 WeakPolarHBondContact CG-ND1 3.43Å; H108-Q110 PolarHBondContact NE2-NE2 3.22Å; H108-K152 PolarHBondContact N-O 2.96Å; H108-L153 HydrophobicContact CB-CD1 3.97Å; H108-L153 HydrophobicContact CB-CD2 4.17Å; H108-L153 WeakPolarHBondContact ND1-CD1 3.49Å; H108-L153 CarbonylContact O-C 3.56Å; H108-L153 VanDerWaalsContact O-CA 3.31Å; H108-L153 WeakPolarHBondContact O-CA 3.46Å; H108-M154 PolarHBondContact O-N 3.48Å; H108-I176 HydrophobicContact CB-CB 4.28Å; H108-I176 HydrophobicContact CB-CD1 4.45Å; H108-I176 WeakPolarHBondContact CD2-CG2 3.39Å; H108-D178 WeakPolarHBondContact NE2-CB 3.44Å; H108-D178 IonicContact NE2-OD2 3.45Å |
| 109 | T | 97.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 152.1 | -174.2 | 77.7 | 0 | 0 | 0 | 0 | 111.8 | M154 D156 L159 I176 I177 D178 | T109-M154 CarbonylContact C-O 3.56Å; T109-M154 VanDerWaalsContact CA-O 3.23Å; T109-M154 WeakPolarHBondContact CA-O 3.47Å; T109-M154 HydrophobicContact CG2-CE 4.47Å; T109-M154 HydrophobicContact CG2-CG 4.2Å; T109-D156 WeakPolarHBondContact CB-OD1 3.42Å; T109-D156 PolarHBondContact OG1-OD1 3.06Å; T109-L159 HydrophobicContact CG2-CB 4.13Å; T109-L159 HydrophobicContact CG2-CD2 3.63Å; T109-I176 PolarHBondContact N-O 2.72Å; T109-I177 HydrophobicContact CG2-CD1 3.97Å; T109-D178 WeakPolarHBondContact O-CB 3.49Å; T109-D178 PolarHBondContact O-N 3.4Å |
| 110 | Q | 94.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 142.7 | 176.4 | -70.7 | -69.2 | -39.2 | 0 | 0 | 108.9 | H108 R112 A115 A116 L153 M154 T155 D156 D178 | H108-Q110 PolarHBondContact NE2-NE2 3.22Å; Q110-R112 VanDerWaalsContact C-N 3.26Å; Q110-R112 PolarHBondContact O-N 3.01Å; Q110-A115 HydrophobicContact CB-CB 4.4Å; Q110-A116 HydrophobicContact CB-CB 4.05Å; Q110-A116 HydrophobicContact CG-CB 4.23Å; Q110-L153 HydrophobicContact CG-CD1 4.21Å; Q110-M154 PolarHBondContact N-O 3.43Å; Q110-T155 WeakPolarHBondContact O-CA 3.16Å; Q110-D156 PolarHBondContact O-N 3.05Å; Q110-D178 VanDerWaalsContact NE2-CB 3.34Å; Q110-D178 PolarHBondContact NE2-OD2 2.79Å |
| 111 | P | 88.9 | Confident | 91.2 | Very high | 29 Ų | 29 | 30 Ų | 30 | 19% | 0.188 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -64.6 | -32.8 | 176.5 | -20.7 | 30.9 | 0 | 0 | 0 | 112.8 | D156 E179 E182 I187 | P111-D156 VanDerWaalsContact CA-OD2 3.31Å; P111-D156 WeakPolarHBondContact CA-OD2 3.42Å; P111-E179 HydrophobicContact CG-CB 3.77Å; P111-E179 HydrophobicContact CG-CG 4.49Å; P111-E182 WeakPolarHBondContact CB-OE2 3.16Å; P111-E182 HydrophobicContact CG-CB 4.44Å; P111-E182 HydrophobicContact CG-CG 4.11Å; P111-E182 WeakPolarHBondContact CG-OE2 3.27Å; P111-I187 HydrophobicContact CG-CD1 4.29Å |
| 112 | R | 85.6 | Confident | 90.9 | Very high | 72 Ų | 72 | 35.5 Ų | 35.5 | 27% | 0.272 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -113.9 | 138.2 | -170.6 | -56.5 | 179.3 | -167.4 | -94.5 | 5.8 | 112.2 | Q110 L114 A115 A116 E182 T334 | Q110-R112 VanDerWaalsContact C-N 3.26Å; Q110-R112 PolarHBondContact O-N 3.01Å; R112-L114 PolarHBondContact O-N 2.86Å; R112-A115 HydrophobicContact CB-CB 4.06Å; R112-A115 WeakPolarHBondContact O-CB 3.4Å; R112-A115 PolarHBondContact O-N 2.94Å; R112-A116 PolarHBondContact O-N 3.45Å; R112-E182 IonicContact CZ-OE1 3.87Å; R112-E182 IonicContact NE-OE1 3.98Å; R112-E182 IonicContact NH2-OE1 2.92Å; R112-T334 PolarHBondContact NE-OG1 3.49Å; R112-T334 PolarHBondContact NH2-OG1 2.73Å; R112-T334 VanDerWaalsContact NH2-OG1 3.09Å |
| 113 | R | 84.3 | Confident | 91 | Very high | 85 Ų | 85 | 35.2 Ų | 35.2 | 32% | 0.321 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 177.2 | -59.4 | -174.9 | -166.2 | 165.8 | 7.2 | 112.6 | A115 A116 R117 V139 T155 E574 | R113-A115 VanDerWaalsContact C-N 3.33Å; R113-A116 PolarHBondContact O-N 2.83Å; R113-R117 WeakPolarHBondContact O-CG 3.36Å; R113-R117 PolarHBondContact O-N 3.23Å; R113-R117 VanDerWaalsContact O-N 3.17Å; R113-V139 HydrophobicContact CB-CB 4.19Å; R113-V139 HydrophobicContact CB-CG1 4.21Å; R113-V139 HydrophobicContact CB-CG2 4.47Å; R113-V139 HydrophobicContact CG-CB 4.12Å; R113-V139 HydrophobicContact CG-CG1 4.5Å; R113-T155 HydrophobicContact CB-CG2 4.3Å; R113-T155 HydrophobicContact CG-CG2 3.73Å; R113-E574 IonicContact CZ-OE1 2.77Å; R113-E574 VanDerWaalsContact CZ-OE1 3.27Å; R113-E574 IonicContact CZ-OE2 3.68Å; R113-E574 IonicContact NH1-OE1 3.55Å; R113-E574 PolarHBondContact NH1-OE1 3.06Å; R113-E574 IonicContact NH1-OE2 3.87Å; R113-E574 PolarHBondContact NH1-OE2 3.27Å; R113-E574 IonicContact NH2-OE1 3.43Å; R113-E574 PolarHBondContact NH2-OE1 2.63Å |
| 114 | L | 81.6 | Confident | 91 | Very high | 38 Ų | 38 | 29 Ų | 29 | 20% | 0.199 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 178.9 | -176.8 | 59.5 | 0 | 0 | 0 | 110.8 | R112 R117 T118 L336 | R112-L114 PolarHBondContact O-N 2.86Å; L114-R117 PolarHBondContact O-N 3.26Å; L114-T118 WeakPolarHBondContact O-CB 3.46Å; L114-T118 PolarHBondContact O-N 3.42Å; L114-T118 PolarHBondContact O-OG1 2.71Å; L114-L336 HydrophobicContact CD2-CD1 3.57Å; L114-L336 HydrophobicContact CG-CD1 4.14Å |
| 115 | A | 85.5 | Confident | 90.9 | Very high | 5 Ų | 5 | 34.7 Ų | 34.7 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.7 | -50.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q110 R112 R113 R117 T118 V119 | Q110-A115 HydrophobicContact CB-CB 4.4Å; R112-A115 HydrophobicContact CB-CB 4.06Å; R112-A115 WeakPolarHBondContact O-CB 3.4Å; R112-A115 PolarHBondContact O-N 2.94Å; R113-A115 VanDerWaalsContact C-N 3.33Å; A115-R117 VanDerWaalsContact C-N 3.28Å; A115-R117 PolarHBondContact O-N 3.28Å; A115-T118 PolarHBondContact O-N 3.22Å; A115-V119 VanDerWaalsContact O-CB 3.26Å; A115-V119 WeakPolarHBondContact O-CB 3.49Å; A115-V119 WeakPolarHBondContact O-CG2 3.3Å; A115-V119 PolarHBondContact O-N 3.3Å |
| 116 | A | 89.8 | Confident | 90.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53.2 | -43.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | Q110 R112 R113 A120 V139 | Q110-A116 HydrophobicContact CB-CB 4.05Å; Q110-A116 HydrophobicContact CG-CB 4.23Å; R112-A116 PolarHBondContact O-N 3.45Å; R113-A116 PolarHBondContact O-N 2.83Å; A116-A120 VanDerWaalsContact O-CB 3.28Å; A116-A120 WeakPolarHBondContact O-CB 3.39Å; A116-A120 PolarHBondContact O-N 3.01Å; A116-A120 VanDerWaalsContact O-N 3.07Å; A116-V139 HydrophobicContact CB-CG1 3.58Å |
| 117 | R | 87.8 | Confident | 90.3 | Very high | 85 Ų | 85 | 36.2 Ų | 36.2 | 32% | 0.321 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -69.4 | -49.4 | 179.4 | -67.4 | -179.8 | 69.9 | -161.9 | -0.7 | 112.3 | R113 L114 A115 V119 A120 N121 Y137 V139 | R113-R117 WeakPolarHBondContact O-CG 3.36Å; R113-R117 PolarHBondContact O-N 3.23Å; R113-R117 VanDerWaalsContact O-N 3.17Å; L114-R117 PolarHBondContact O-N 3.26Å; A115-R117 VanDerWaalsContact C-N 3.28Å; A115-R117 PolarHBondContact O-N 3.28Å; R117-V119 VanDerWaalsContact C-N 3.35Å; R117-V119 PolarHBondContact O-N 2.79Å; R117-A120 PolarHBondContact O-N 3.39Å; R117-N121 VanDerWaalsContact O-CG 3.3Å; R117-N121 PolarHBondContact O-N 2.99Å; R117-N121 PolarHBondContact O-ND2 3Å; R117-Y137 HydrophobicContact CG-CD2 3.76Å; R117-Y137 HydrophobicContact CG-CE2 3.5Å; R117-Y137 HydrophobicContact CG-CG 4.42Å; R117-Y137 PolarHBondContact NE-OH 2.99Å; R117-V139 HydrophobicContact CG-CG1 4.42Å; R117-V139 HydrophobicContact CG-CG2 4.41Å |
| 118 | T | 84.5 | Confident | 89.9 | Confident | 78 Ų | 78 | 45.2 Ų | 45.2 | 48% | 0.479 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.3 | -41.8 | -178.2 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | L114 A115 N121 R122 | L114-T118 WeakPolarHBondContact O-CB 3.46Å; L114-T118 PolarHBondContact O-N 3.42Å; L114-T118 PolarHBondContact O-OG1 2.71Å; A115-T118 PolarHBondContact O-N 3.22Å; T118-N121 PolarHBondContact O-N 3.25Å; T118-R122 WeakPolarHBondContact O-CB 3.34Å; T118-R122 PolarHBondContact O-N 3.48Å |
| 119 | V | 89.9 | Confident | 89.4 | Confident | 15 Ų | 15 | 47.2 Ų | 47.2 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.6 | -44.5 | 176.1 | 172.7 | 0 | 0 | 0 | 0 | 111 | T88 A115 R117 N121 R122 I123 L153 | T88-V119 HydrophobicContact CG2-CB 4.16Å; T88-V119 HydrophobicContact CG2-CG1 3.56Å; T88-V119 HydrophobicContact CG2-CG2 3.43Å; T88-V119 VanDerWaalsContact CG2-CG2 3.43Å; A115-V119 VanDerWaalsContact O-CB 3.26Å; A115-V119 WeakPolarHBondContact O-CB 3.49Å; A115-V119 WeakPolarHBondContact O-CG2 3.3Å; A115-V119 PolarHBondContact O-N 3.3Å; R117-V119 VanDerWaalsContact C-N 3.35Å; R117-V119 PolarHBondContact O-N 2.79Å; V119-N121 PolarHBondContact O-N 2.86Å; V119-R122 PolarHBondContact O-N 3.36Å; V119-I123 HydrophobicContact CG1-CD1 3.67Å; V119-I123 HydrophobicContact CG1-CG1 4.27Å; V119-I123 VanDerWaalsContact O-CG1 3.32Å; V119-I123 WeakPolarHBondContact O-CG1 3.47Å; V119-I123 PolarHBondContact O-N 3.14Å; V119-L153 HydrophobicContact CB-CD1 4.16Å; V119-L153 HydrophobicContact CG1-CD1 3.69Å; V119-L153 HydrophobicContact CG1-CG 4.2Å |
| 120 | A | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59 | -47.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A116 R117 R122 I123 A124 I135 Y137 L153 | A116-A120 VanDerWaalsContact O-CB 3.28Å; A116-A120 WeakPolarHBondContact O-CB 3.39Å; A116-A120 PolarHBondContact O-N 3.01Å; A116-A120 VanDerWaalsContact O-N 3.07Å; R117-A120 PolarHBondContact O-N 3.39Å; A120-R122 VanDerWaalsContact C-N 3.3Å; A120-R122 PolarHBondContact O-N 2.92Å; A120-I123 PolarHBondContact O-N 2.74Å; A120-A124 WeakPolarHBondContact O-CB 3.18Å; A120-A124 PolarHBondContact O-N 3.5Å; A120-I135 HydrophobicContact CB-CG2 4.23Å; A120-Y137 HydrophobicContact CB-CD1 3.87Å; A120-Y137 HydrophobicContact CB-CG 4.2Å; A120-L153 HydrophobicContact CB-CB 3.95Å; A120-L153 HydrophobicContact CB-CD2 4.49Å; A120-L153 HydrophobicContact CB-CG 3.95Å |
| 121 | N | 90.3 | Very high | 88 | Confident | 70 Ų | 70 | 58 Ų | 58 | 37% | 0.374 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.2 | -41 | 176.5 | -69.2 | -19.1 | 0 | 0 | 0 | 111.6 | R117 T118 V119 A124 E125 P131 | R117-N121 VanDerWaalsContact O-CG 3.3Å; R117-N121 PolarHBondContact O-N 2.99Å; R117-N121 PolarHBondContact O-ND2 3Å; T118-N121 PolarHBondContact O-N 3.25Å; V119-N121 PolarHBondContact O-N 2.86Å; N121-A124 PolarHBondContact O-N 3.49Å; N121-E125 WeakPolarHBondContact O-CB 3.47Å; N121-E125 PolarHBondContact O-N 3.46Å; N121-P131 WeakPolarHBondContact OD1-CG 3.26Å |
| 122 | R | 88.5 | Confident | 87.5 | Confident | 116 Ų | 116 | 57.5 Ų | 57.5 | 44% | 0.438 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66 | -43.3 | 179.7 | -176.7 | 57.1 | 179.7 | -170.9 | -5.1 | 112.6 | T89 T118 V119 A120 E125 E126 | T89-R122 HydrophobicContact CG2-CB 4.49Å; T89-R122 HydrophobicContact CG2-CG 3.95Å; T118-R122 WeakPolarHBondContact O-CB 3.34Å; T118-R122 PolarHBondContact O-N 3.48Å; V119-R122 PolarHBondContact O-N 3.36Å; A120-R122 VanDerWaalsContact C-N 3.3Å; A120-R122 PolarHBondContact O-N 2.92Å; R122-E125 IonicContact CZ-OE2 3.71Å; R122-E125 IonicContact NH1-OE1 3.54Å; R122-E125 IonicContact NH1-OE2 3.63Å; R122-E125 PolarHBondContact NH1-OE2 3.31Å; R122-E125 PolarHBondContact O-N 3.03Å; R122-E126 IonicContact CZ-OE1 3.61Å; R122-E126 IonicContact NE-OE1 2.82Å; R122-E126 PolarHBondContact NE-OE1 2.97Å; R122-E126 IonicContact NH2-OE1 3.6Å; R122-E126 WeakPolarHBondContact O-CG 3.26Å; R122-E126 PolarHBondContact O-N 3.13Å |
| 123 | I | 93.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 177.1 | -62.3 | 167 | 0 | 0 | 0 | 110.1 | T89 P92 K93 V119 A120 E126 L127 I135 L153 | T89-I123 HydrophobicContact CG2-CG1 4.27Å; P92-I123 HydrophobicContact CB-CD1 4.39Å; P92-I123 HydrophobicContact CG-CD1 3.98Å; K93-I123 HydrophobicContact CG-CG2 4.44Å; V119-I123 HydrophobicContact CG1-CD1 3.67Å; V119-I123 HydrophobicContact CG1-CG1 4.27Å; V119-I123 VanDerWaalsContact O-CG1 3.32Å; V119-I123 WeakPolarHBondContact O-CG1 3.47Å; V119-I123 PolarHBondContact O-N 3.14Å; A120-I123 PolarHBondContact O-N 2.74Å; I123-E126 PolarHBondContact O-N 3.3Å; I123-L127 HydrophobicContact CG2-CD1 3.89Å; I123-L127 HydrophobicContact CG2-CG 4.39Å; I123-L127 WeakPolarHBondContact O-CB 3.23Å; I123-L127 WeakPolarHBondContact O-CG 3.43Å; I123-L127 PolarHBondContact O-N 3.35Å; I123-I135 HydrophobicContact CB-CG1 4.49Å; I123-I135 HydrophobicContact CB-CG2 4.32Å; I123-I135 HydrophobicContact CG2-CD1 3.73Å; I123-I135 HydrophobicContact CG2-CG1 3.88Å; I123-I135 HydrophobicContact CG2-CG2 4.43Å; I123-L153 HydrophobicContact CD1-CD2 4.14Å |
| 124 | A | 92.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A120 N121 L127 K128 T129 P131 I135 | A120-A124 WeakPolarHBondContact O-CB 3.18Å; A120-A124 PolarHBondContact O-N 3.5Å; N121-A124 PolarHBondContact O-N 3.49Å; A124-L127 CarbonylContact O-C 3.53Å; A124-L127 PolarHBondContact O-N 3.3Å; A124-K128 PolarHBondContact O-N 3.49Å; A124-T129 CarbonylContact C-O 3.5Å; A124-T129 PolarHBondContact O-N 2.81Å; A124-T129 VanDerWaalsContact O-O 3.1Å; A124-T129 PolarHBondContact O-OG1 2.89Å; A124-P131 HydrophobicContact CB-CB 4.46Å; A124-P131 HydrophobicContact CB-CG 3.91Å; A124-I135 HydrophobicContact CB-CB 4.21Å; A124-I135 HydrophobicContact CB-CG1 4.42Å |
| 125 | E | 90.3 | Very high | 88.5 | Confident | 121 Ų | 121 | 50.2 Ų | 50.2 | 57% | 0.565 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -58.5 | -49.1 | 174.9 | -176.3 | -172.6 | -162.2 | 0 | 0 | 111.7 | N121 R122 L127 K128 | N121-E125 WeakPolarHBondContact O-CB 3.47Å; N121-E125 PolarHBondContact O-N 3.46Å; R122-E125 IonicContact CZ-OE2 3.71Å; R122-E125 IonicContact NH1-OE1 3.54Å; R122-E125 IonicContact NH1-OE2 3.63Å; R122-E125 PolarHBondContact NH1-OE2 3.31Å; R122-E125 PolarHBondContact O-N 3.03Å; E125-L127 VanDerWaalsContact C-N 3.27Å; E125-L127 PolarHBondContact O-N 2.69Å; E125-K128 PolarHBondContact O-N 3.45Å |
| 126 | E | 90.4 | Very high | 88.9 | Confident | 36 Ų | 36 | 50 Ų | 50 | 17% | 0.168 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.8 | -29.9 | 179.4 | -72.8 | 178.9 | -163.7 | 0 | 0 | 112.9 | Q90 K93 R122 I123 K128 | Q90-E126 PolarHBondContact NE2-OE2 2.9Å; K93-E126 WeakPolarHBondContact CE-OE2 3.46Å; K93-E126 IonicContact NZ-OE2 2.79Å; K93-E126 PolarHBondContact NZ-OE2 3.14Å; R122-E126 IonicContact CZ-OE1 3.61Å; R122-E126 IonicContact NE-OE1 2.82Å; R122-E126 PolarHBondContact NE-OE1 2.97Å; R122-E126 IonicContact NH2-OE1 3.6Å; R122-E126 WeakPolarHBondContact O-CG 3.26Å; R122-E126 PolarHBondContact O-N 3.13Å; I123-E126 PolarHBondContact O-N 3.3Å; E126-K128 VanDerWaalsContact C-N 3.3Å |
| 127 | L | 91.5 | Very high | 89.2 | Confident | 9 Ų | 9 | 50.5 Ų | 50.5 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 2.2 | 173.6 | -66.2 | 176.3 | 0 | 0 | 0 | 113.2 | P50 I52 K93 M96 I123 A124 E125 T129 I135 | P50-L127 HydrophobicContact CG-CD1 4.23Å; I52-L127 HydrophobicContact CG1-CD2 4.49Å; I52-L127 HydrophobicContact CG2-CD2 4.48Å; K93-L127 HydrophobicContact CD-CD2 4.05Å; K93-L127 HydrophobicContact CG-CD2 4.25Å; M96-L127 HydrophobicContact CE-CD1 4.22Å; M96-L127 HydrophobicContact SD-CD1 4.17Å; I123-L127 HydrophobicContact CG2-CD1 3.89Å; I123-L127 HydrophobicContact CG2-CG 4.39Å; I123-L127 WeakPolarHBondContact O-CB 3.23Å; I123-L127 WeakPolarHBondContact O-CG 3.43Å; I123-L127 PolarHBondContact O-N 3.35Å; A124-L127 CarbonylContact O-C 3.53Å; A124-L127 PolarHBondContact O-N 3.3Å; E125-L127 VanDerWaalsContact C-N 3.27Å; E125-L127 PolarHBondContact O-N 2.69Å; L127-T129 VanDerWaalsContact C-N 3.26Å; L127-T129 HydrophobicContact CB-CG2 4.33Å; L127-T129 WeakPolarHBondContact O-CG2 3.47Å; L127-T129 PolarHBondContact O-N 2.79Å; L127-I135 HydrophobicContact CD1-CD1 3.78Å; L127-I135 HydrophobicContact CD1-CG1 4Å |
| 128 | K | 90.2 | Very high | 89.4 | Confident | 189 Ų | 189 | 49 Ų | 49 | 82% | 0.822 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 41.6 | -176.5 | -54.6 | 176.1 | -176.5 | 172.5 | 0 | 112.6 | A124 E125 E126 | A124-K128 PolarHBondContact O-N 3.49Å; E125-K128 PolarHBondContact O-N 3.45Å; E126-K128 VanDerWaalsContact C-N 3.3Å |
| 129 | T | 88.7 | Confident | 89.5 | Confident | 42 Ų | 42 | 45.6 Ų | 45.6 | 26% | 0.258 | 23% | 0.23 | S | C | . | . | trans | -123.7 | 162.5 | 178.4 | 61 | 0 | 0 | 0 | 0 | 111.3 | P50 A124 L127 C134 | P50-T129 HydrophobicContact CB-CG2 4.1Å; A124-T129 CarbonylContact C-O 3.5Å; A124-T129 PolarHBondContact O-N 2.81Å; A124-T129 VanDerWaalsContact O-O 3.1Å; A124-T129 PolarHBondContact O-OG1 2.89Å; L127-T129 VanDerWaalsContact C-N 3.26Å; L127-T129 HydrophobicContact CB-CG2 4.33Å; L127-T129 WeakPolarHBondContact O-CG2 3.47Å; L127-T129 PolarHBondContact O-N 2.79Å; T129-C134 PolarHBondContact OG1-SG 2.92Å | ||
| 130 | E | 84.4 | Confident | 88.8 | Confident | 166 Ų | 166 | 47.8 Ų | 47.8 | 78% | 0.776 | 24% | 0.237 | S | C | * | . | trans | -84.1 | 137.9 | 174.1 | -64.4 | -170.7 | 166.8 | 0 | 0 | 111.6 | G132 G133 | E130-G132 PolarHBondContact O-N 3.18Å; E130-G133 PolarHBondContact O-N 3.41Å; E130-G133 VanDerWaalsContact O-N 3.11Å | ||
| 131 | P | 77.6 | Confident | 87.4 | Confident | 62 Ų | 62 | 50 Ų | 50 | 40% | 0.403 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 134.1 | 169.7 | -22.8 | 32.1 | 0 | 0 | 0 | 111.6 | N121 A124 | N121-P131 WeakPolarHBondContact OD1-CG 3.26Å; A124-P131 HydrophobicContact CB-CB 4.46Å; A124-P131 HydrophobicContact CB-CG 3.91Å |
| 132 | G | 79.1 | Confident | 86.7 | Confident | 19 Ų | 19 | 47.9 Ų | 47.9 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -14.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E130 I135 H144 S146 | E130-G132 PolarHBondContact O-N 3.18Å; G132-I135 PolarHBondContact N-O 3.39Å; G132-H144 WeakPolarHBondContact CA-O 3.28Å; G132-S146 WeakPolarHBondContact O-CB 3.46Å; G132-S146 PolarHBondContact O-OG 2.87Å |
| 133 | G | 86.7 | Confident | 86.6 | Confident | 28 Ų | 28 | 46.5 Ų | 46.5 | 29% | 0.289 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -77.2 | -117.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E130 I135 S146 T149 | E130-G133 PolarHBondContact O-N 3.41Å; E130-G133 VanDerWaalsContact O-N 3.11Å; G133-I135 VanDerWaalsContact C-N 3.28Å; G133-I135 PolarHBondContact O-N 2.69Å; G133-S146 PolarHBondContact O-OG 3.19Å; G133-T149 WeakPolarHBondContact O-CA 3.33Å; G133-T149 PolarHBondContact O-N 2.74Å; G133-T149 PolarHBondContact O-OG1 2.82Å |
| 134 | C | 90.1 | Very high | 86.3 | Confident | 14 Ų | 14 | 50.9 Ų | 50.9 | 10% | 0.095 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -68.4 | -27.1 | 179 | 72 | 0 | 0 | 0 | 0 | 113.1 | T129 M150 V151 | T129-C134 PolarHBondContact OG1-SG 2.92Å; C134-M150 PolarHBondContact O-N 2.8Å; C134-V151 PolarHBondContact O-N 3.02Å; C134-V151 VanDerWaalsContact O-N 3.09Å |
| 135 | I | 95.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 112.6 | 173.2 | -49.5 | -57 | 0 | 0 | 0 | 108.3 | M96 A120 I123 A124 L127 G132 G133 V151 L153 | M96-I135 HydrophobicContact SD-CD1 4.15Å; A120-I135 HydrophobicContact CB-CG2 4.23Å; I123-I135 HydrophobicContact CB-CG1 4.49Å; I123-I135 HydrophobicContact CB-CG2 4.32Å; I123-I135 HydrophobicContact CG2-CD1 3.73Å; I123-I135 HydrophobicContact CG2-CG1 3.88Å; I123-I135 HydrophobicContact CG2-CG2 4.43Å; A124-I135 HydrophobicContact CB-CB 4.21Å; A124-I135 HydrophobicContact CB-CG1 4.42Å; L127-I135 HydrophobicContact CD1-CD1 3.78Å; L127-I135 HydrophobicContact CD1-CG1 4Å; G132-I135 PolarHBondContact N-O 3.39Å; G133-I135 VanDerWaalsContact C-N 3.28Å; G133-I135 PolarHBondContact O-N 2.69Å; I135-V151 HydrophobicContact CD1-CB 3.64Å; I135-V151 HydrophobicContact CD1-CG2 3.69Å; I135-L153 HydrophobicContact CG2-CD2 4.41Å |
| 136 | G | 94.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 166.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | H144 V151 K152 L153 | G136-H144 WeakPolarHBondContact CA-O 3.38Å; G136-V151 PolarHBondContact N-O 2.88Å; G136-K152 WeakPolarHBondContact O-CA 3.35Å; G136-L153 PolarHBondContact O-N 3.35Å |
| 137 | Y | 94.4 | Very high | 85.8 | Confident | 11 Ų | 11 | 55.1 Ų | 55.1 | 4% | 0.043 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 149.3 | 168 | 68.7 | -91 | 0 | 0 | 0 | 112 | R117 A120 V139 S142 H144 L153 | R117-Y137 HydrophobicContact CG-CD2 3.76Å; R117-Y137 HydrophobicContact CG-CE2 3.5Å; R117-Y137 HydrophobicContact CG-CG 4.42Å; R117-Y137 PolarHBondContact NE-OH 2.99Å; A120-Y137 HydrophobicContact CB-CD1 3.87Å; A120-Y137 HydrophobicContact CB-CG 4.2Å; Y137-V139 HydrophobicContact CD2-CG1 4.47Å; Y137-V139 HydrophobicContact CD2-CG2 4.44Å; Y137-V139 HydrophobicContact CE2-CG2 4.46Å; Y137-S142 VanDerWaalsContact CE2-OG 3.3Å; Y137-S142 WeakPolarHBondContact CE2-OG 3.39Å; Y137-H144 HydrophobicContact CD1-CB 4.09Å; Y137-H144 HydrophobicContact CE1-CB 3.85Å; Y137-H144 AromaticContact CE1-CD2 3.79Å; Y137-H144 AromaticContact CE1-CG 3.89Å; Y137-H144 AromaticContact CE2-CD2 3.6Å; Y137-H144 AromaticContact CZ-CD2 3.2Å; Y137-H144 AromaticContact CZ-CG 3.8Å; Y137-H144 AromaticContact CZ-NE2 3.89Å; Y137-H144 PolarHBondContact N-O 3.32Å; Y137-H144 PolarHBondContact O-N 2.97Å; Y137-H144 PolarHBondContact OH-CD2 2.71Å; Y137-H144 PolarHBondContact OH-NE2 3.02Å; Y137-L153 CarbonylContact C-O 3.58Å; Y137-L153 WeakPolarHBondContact CA-O 3.44Å; Y137-L153 WeakPolarHBondContact CB-O 3.27Å |
| 138 | K | 92.3 | Very high | 85.5 | Confident | 53 Ų | 53 | 59.8 Ų | 59.8 | 23% | 0.23 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 103.8 | 174.6 | -171.6 | 177.7 | -177.3 | 179.6 | 0 | 109.3 | S142 D143 V145 K152 L153 M154 I158 E162 | K138-S142 CarbonylContact C-O 3.59Å; K138-S142 WeakPolarHBondContact CA-O 3.46Å; K138-D143 VanDerWaalsContact CD-OD2 3.29Å; K138-D143 WeakPolarHBondContact CD-OD2 3.29Å; K138-D143 VanDerWaalsContact CE-OD2 3.25Å; K138-D143 WeakPolarHBondContact CE-OD2 3.31Å; K138-D143 HydrophobicContact CG-CB 4.18Å; K138-D143 IonicContact NZ-OD2 3.85Å; K138-V145 HydrophobicContact CB-CG2 4.2Å; K138-K152 VanDerWaalsContact CB-CE 3.45Å; K138-K152 HydrophobicContact CB-CG 4.49Å; K138-L153 PolarHBondContact N-O 3.3Å; K138-M154 HydrophobicContact CB-CB 4.46Å; K138-M154 WeakPolarHBondContact O-CA 3.43Å; K138-M154 WeakPolarHBondContact O-CB 3.43Å; K138-I158 HydrophobicContact CB-CG2 4.33Å; K138-I158 HydrophobicContact CD-CG2 3.76Å; K138-I158 HydrophobicContact CG-CD1 4.47Å; K138-I158 HydrophobicContact CG-CG2 3.9Å; K138-E162 IonicContact NZ-OE1 2.8Å; K138-E162 PolarHBondContact NZ-OE1 2.87Å |
| 139 | V | 86.5 | Confident | 85.7 | Confident | 6 Ų | 6 | 50.8 Ų | 50.8 | 4% | 0.036 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 168.1 | 167.9 | -59.2 | 0 | 0 | 0 | 0 | 108.1 | R113 A116 R117 Y137 F141 S142 T155 | R113-V139 HydrophobicContact CB-CB 4.19Å; R113-V139 HydrophobicContact CB-CG1 4.21Å; R113-V139 HydrophobicContact CB-CG2 4.47Å; R113-V139 HydrophobicContact CG-CB 4.12Å; R113-V139 HydrophobicContact CG-CG1 4.5Å; A116-V139 HydrophobicContact CB-CG1 3.58Å; R117-V139 HydrophobicContact CG-CG1 4.42Å; R117-V139 HydrophobicContact CG-CG2 4.41Å; Y137-V139 HydrophobicContact CD2-CG1 4.47Å; Y137-V139 HydrophobicContact CD2-CG2 4.44Å; Y137-V139 HydrophobicContact CE2-CG2 4.46Å; V139-F141 PolarHBondContact O-N 3.1Å; V139-F141 VanDerWaalsContact O-N 3.08Å; V139-S142 PolarHBondContact N-O 3.38Å; V139-S142 PolarHBondContact O-N 3.49Å; V139-T155 HydrophobicContact CB-CG2 4.4Å; V139-T155 HydrophobicContact CG1-CG2 4.06Å |
| 140 | R | 75.4 | Confident | 86 | Confident | 61 Ų | 61 | 49 Ų | 49 | 23% | 0.23 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 125.2 | 172.6 | -148.1 | -176.9 | 176.7 | -171.6 | 5.3 | 108.5 | S142 S507 I578 | R140-S142 VanDerWaalsContact C-N 3.3Å; R140-S142 PolarHBondContact O-N 3.46Å; R140-S507 PolarHBondContact NH1-O 2.69Å; R140-I578 VanDerWaalsContact NH2-CD1 3.27Å |
| 141 | F | 64.2 | Low | 86.6 | Confident | 47 Ų | 47 | 41 Ų | 41 | 21% | 0.206 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 1.6 | 179 | -38.2 | -60.3 | 0 | 0 | 0 | 117.8 | V139 E574 D577 I578 | V139-F141 PolarHBondContact O-N 3.1Å; V139-F141 VanDerWaalsContact O-N 3.08Å; F141-E574 HydrophobicContact CD2-CB 3.47Å; F141-E574 VanDerWaalsContact CD2-CB 3.47Å; F141-E574 HydrophobicContact CD2-CG 3.63Å; F141-E574 WeakPolarHBondContact CE1-O 3.34Å; F141-E574 HydrophobicContact CE2-CB 3.62Å; F141-E574 HydrophobicContact CE2-CG 3.19Å; F141-E574 WeakPolarHBondContact CE2-OE1 3.28Å; F141-E574 HydrophobicContact CG-CB 4.05Å; F141-E574 HydrophobicContact CZ-CB 4.22Å; F141-E574 HydrophobicContact CZ-CG 3.71Å; F141-D577 HydrophobicContact CB-CB 4.47Å; F141-D577 HydrophobicContact CD1-CB 3.28Å; F141-D577 HydrophobicContact CE1-CB 3.82Å; F141-D577 HydrophobicContact CG-CB 4.17Å; F141-I578 HydrophobicContact CE1-CB 4.43Å; F141-I578 HydrophobicContact CE1-CD1 4.32Å; F141-I578 HydrophobicContact CE1-CG1 3.38Å; F141-I578 HydrophobicContact CE2-CG1 4.48Å; F141-I578 HydrophobicContact CZ-CD1 3.68Å; F141-I578 HydrophobicContact CZ-CG1 3.23Å |
| 142 | S | 74.2 | Confident | 87.5 | Confident | 26 Ų | 26 | 38.2 Ų | 38.2 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 109.6 | 177.3 | -177.3 | 0 | 0 | 0 | 0 | 109 | Y137 K138 V139 R140 H144 | Y137-S142 VanDerWaalsContact CE2-OG 3.3Å; Y137-S142 WeakPolarHBondContact CE2-OG 3.39Å; K138-S142 CarbonylContact C-O 3.59Å; K138-S142 WeakPolarHBondContact CA-O 3.46Å; V139-S142 PolarHBondContact N-O 3.38Å; V139-S142 PolarHBondContact O-N 3.49Å; R140-S142 VanDerWaalsContact C-N 3.3Å; R140-S142 PolarHBondContact O-N 3.46Å; S142-H144 PolarHBondContact OG-CD2 3.48Å; S142-H144 VanDerWaalsContact OG-CD2 3.25Å; S142-H144 PolarHBondContact OG-NE2 3.3Å |
| 143 | D | 86 | Confident | 88.4 | Confident | 87 Ų | 87 | 37.3 Ų | 37.3 | 47% | 0.465 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 111.7 | 178 | -163.2 | -19.4 | 0 | 0 | 0 | 108.3 | K138 V145 | K138-D143 VanDerWaalsContact CD-OD2 3.29Å; K138-D143 WeakPolarHBondContact CD-OD2 3.29Å; K138-D143 VanDerWaalsContact CE-OD2 3.25Å; K138-D143 WeakPolarHBondContact CE-OD2 3.31Å; K138-D143 HydrophobicContact CG-CB 4.18Å; K138-D143 IonicContact NZ-OD2 3.85Å; D143-V145 VanDerWaalsContact OD1-CB 3.25Å; D143-V145 WeakPolarHBondContact OD1-CB 3.48Å; D143-V145 VanDerWaalsContact OD1-CG2 3.24Å; D143-V145 WeakPolarHBondContact OD1-CG2 3.08Å; D143-V145 PolarHBondContact OD1-N 2.76Å; D143-V145 VanDerWaalsContact OD1-N 3.08Å |
| 144 | H | 88.4 | Confident | 88.9 | Confident | 91 Ų | 91 | 36 Ų | 36 | 42% | 0.421 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 51.4 | 174 | -70 | -95.3 | 0 | 0 | 0 | 108.3 | G132 G136 Y137 S142 | G132-H144 WeakPolarHBondContact CA-O 3.28Å; G136-H144 WeakPolarHBondContact CA-O 3.38Å; Y137-H144 HydrophobicContact CD1-CB 4.09Å; Y137-H144 HydrophobicContact CE1-CB 3.85Å; Y137-H144 AromaticContact CE1-CD2 3.79Å; Y137-H144 AromaticContact CE1-CG 3.89Å; Y137-H144 AromaticContact CE2-CD2 3.6Å; Y137-H144 AromaticContact CZ-CD2 3.2Å; Y137-H144 AromaticContact CZ-CG 3.8Å; Y137-H144 AromaticContact CZ-NE2 3.89Å; Y137-H144 PolarHBondContact N-O 3.32Å; Y137-H144 PolarHBondContact O-N 2.97Å; Y137-H144 PolarHBondContact OH-CD2 2.71Å; Y137-H144 PolarHBondContact OH-NE2 3.02Å; S142-H144 PolarHBondContact OG-CD2 3.48Å; S142-H144 VanDerWaalsContact OG-CD2 3.25Å; S142-H144 PolarHBondContact OG-NE2 3.3Å |
| 145 | V | 89.9 | Confident | 89.1 | Confident | 44 Ų | 44 | 36 Ų | 36 | 27% | 0.267 | 19% | 0.188 | S | C | . | . | trans | -108 | 135.7 | 173.7 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | K138 D143 T149 K152 | K138-V145 HydrophobicContact CB-CG2 4.2Å; D143-V145 VanDerWaalsContact OD1-CB 3.25Å; D143-V145 WeakPolarHBondContact OD1-CB 3.48Å; D143-V145 VanDerWaalsContact OD1-CG2 3.24Å; D143-V145 WeakPolarHBondContact OD1-CG2 3.08Å; D143-V145 PolarHBondContact OD1-N 2.76Å; D143-V145 VanDerWaalsContact OD1-N 3.08Å; V145-T149 HydrophobicContact CG1-CG2 4.04Å; V145-K152 HydrophobicContact CG2-CD 3.93Å; V145-K152 HydrophobicContact CG2-CG 3.79Å | ||
| 146 | S | 88.9 | Confident | 88.9 | Confident | 48 Ų | 48 | 36.2 Ų | 36.2 | 34% | 0.336 | 19% | 0.188 | S | C | . | . | trans | -120.4 | 171.7 | 175.5 | 67.9 | 0 | 0 | 0 | 0 | 111.1 | G132 G133 N148 T149 | G132-S146 WeakPolarHBondContact O-CB 3.46Å; G132-S146 PolarHBondContact O-OG 2.87Å; G133-S146 PolarHBondContact O-OG 3.19Å; S146-N148 PolarHBondContact O-N 3.25Å; S146-N148 VanDerWaalsContact O-N 3.14Å; S146-N148 PolarHBondContact OG-N 3.47Å; S146-T149 PolarHBondContact N-OG1 3.08Å; S146-T149 VanDerWaalsContact O-CB 3.28Å; S146-T149 WeakPolarHBondContact O-CB 3.5Å; S146-T149 PolarHBondContact O-N 3.26Å; S146-T149 PolarHBondContact O-OG1 3.34Å; S146-T149 PolarHBondContact OG-OG1 3.44Å | ||
| 147 | D | 83.4 | Confident | 88.7 | Confident | 154 Ų | 154 | 37.6 Ų | 37.6 | 82% | 0.824 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -18.9 | 174.9 | -73.4 | -18.6 | 0 | 0 | 0 | 113.2 | R45 | R45-D147 PolarHBondContact NH1-O 3.03Š|
| 148 | N | 86.2 | Confident | 88.5 | Confident | 108 Ų | 108 | 38.1 Ų | 38.1 | 58% | 0.578 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -6.9 | 176.9 | -69.7 | -14.9 | 0 | 0 | 0 | 113.1 | S146 M150 | S146-N148 PolarHBondContact O-N 3.25Å; S146-N148 VanDerWaalsContact O-N 3.14Å; S146-N148 PolarHBondContact OG-N 3.47Å; N148-M150 PolarHBondContact O-N 3.46Å |
| 149 | T | 93 | Very high | 88.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -61.4 | 134.4 | 177.2 | -61.3 | 0 | 0 | 0 | 0 | 110.4 | R45 L105 G133 V145 S146 V151 K152 | R45-T149 PolarHBondContact NH1-O 3.42Å; R45-T149 VanDerWaalsContact NH1-O 3.1Å; R45-T149 PolarHBondContact NH2-O 3.35Å; L105-T149 WeakPolarHBondContact CD2-O 3.17Å; G133-T149 WeakPolarHBondContact O-CA 3.33Å; G133-T149 PolarHBondContact O-N 2.74Å; G133-T149 PolarHBondContact O-OG1 2.82Å; V145-T149 HydrophobicContact CG1-CG2 4.04Å; S146-T149 PolarHBondContact N-OG1 3.08Å; S146-T149 VanDerWaalsContact O-CB 3.28Å; S146-T149 WeakPolarHBondContact O-CB 3.5Å; S146-T149 PolarHBondContact O-N 3.26Å; S146-T149 PolarHBondContact O-OG1 3.34Å; S146-T149 PolarHBondContact OG-OG1 3.44Å; T149-V151 WeakPolarHBondContact CG2-O 3.24Å; T149-K152 HydrophobicContact CG2-CB 4.43Å | ||
| 150 | M | 94.8 | Very high | 88.7 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -111.2 | -40.8 | 175.2 | -60.8 | -178.4 | -172 | 0 | 0 | 110.2 | R45 A48 R49 M96 I102 L105 I106 C134 N148 | R45-M150 WeakPolarHBondContact O-CE 3.41Å; A48-M150 HydrophobicContact CB-CE 4.43Å; R49-M150 HydrophobicContact CB-CE 4.26Å; R49-M150 HydrophobicContact CB-SD 4.39Å; R49-M150 HydrophobicContact CG-SD 4.48Å; M96-M150 HydrophobicContact CE-SD 4.07Å; I102-M150 HydrophobicContact CD1-CE 4.09Å; I102-M150 HydrophobicContact CD1-SD 3.92Å; L105-M150 WeakPolarHBondContact CA-O 3.4Å; I106-M150 PolarHBondContact N-O 2.97Å; C134-M150 PolarHBondContact O-N 2.8Å; N148-M150 PolarHBondContact O-N 3.46Å |
| 151 | V | 97.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 123.8 | 175.1 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | P92 M96 I106 C134 I135 G136 T149 L153 | P92-V151 HydrophobicContact CB-CG1 3.87Å; P92-V151 HydrophobicContact CB-CG2 4.16Å; M96-V151 HydrophobicContact CG-CG2 3.86Å; M96-V151 HydrophobicContact SD-CG2 3.48Å; M96-V151 WeakPolarHBondContact SD-CG2 3.4Å; I106-V151 HydrophobicContact CB-CG1 4.5Å; I106-V151 HydrophobicContact CB-CG2 4.23Å; I106-V151 HydrophobicContact CD1-CG2 3.9Å; I106-V151 HydrophobicContact CG2-CG1 4.43Å; I106-V151 WeakPolarHBondContact O-CA 3.35Å; C134-V151 PolarHBondContact O-N 3.02Å; C134-V151 VanDerWaalsContact O-N 3.09Å; I135-V151 HydrophobicContact CD1-CB 3.64Å; I135-V151 HydrophobicContact CD1-CG2 3.69Å; G136-V151 PolarHBondContact N-O 2.88Å; T149-V151 WeakPolarHBondContact CG2-O 3.24Å; V151-L153 HydrophobicContact CG1-CD2 3.58Å |
| 152 | K | 97.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 1% | 0.013 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 105.6 | 176 | 176.5 | -179.8 | 171.2 | -167.8 | 0 | 109.5 | L105 I106 H108 G136 K138 V145 T149 E162 Y172 | L105-K152 HydrophobicContact CD1-CB 4.27Å; L105-K152 HydrophobicContact CD1-CD 4.11Å; I106-K152 PolarHBondContact O-N 3.32Å; H108-K152 PolarHBondContact N-O 2.96Å; G136-K152 WeakPolarHBondContact O-CA 3.35Å; K138-K152 VanDerWaalsContact CB-CE 3.45Å; K138-K152 HydrophobicContact CB-CG 4.49Å; V145-K152 HydrophobicContact CG2-CD 3.93Å; V145-K152 HydrophobicContact CG2-CG 3.79Å; T149-K152 HydrophobicContact CG2-CB 4.43Å; K152-E162 IonicContact NZ-OE1 3.72Å; K152-E162 PolarHBondContact NZ-OE1 3.01Å; K152-E162 IonicContact NZ-OE2 3.39Å; K152-E162 PolarHBondContact NZ-OE2 3.2Å; K152-Y172 HydrophobicContact CD-CE1 4.32Å; K152-Y172 PolarHBondContact NZ-OH 3.4Å |
| 153 | L | 97.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 131.8 | 169.9 | -87.8 | -70 | 0 | 0 | 0 | 109.5 | H108 Q110 V119 A120 I123 I135 G136 Y137 K138 V151 | H108-L153 HydrophobicContact CB-CD1 3.97Å; H108-L153 HydrophobicContact CB-CD2 4.17Å; H108-L153 WeakPolarHBondContact ND1-CD1 3.49Å; H108-L153 CarbonylContact O-C 3.56Å; H108-L153 VanDerWaalsContact O-CA 3.31Å; H108-L153 WeakPolarHBondContact O-CA 3.46Å; Q110-L153 HydrophobicContact CG-CD1 4.21Å; V119-L153 HydrophobicContact CB-CD1 4.16Å; V119-L153 HydrophobicContact CG1-CD1 3.69Å; V119-L153 HydrophobicContact CG1-CG 4.2Å; A120-L153 HydrophobicContact CB-CB 3.95Å; A120-L153 HydrophobicContact CB-CD2 4.49Å; A120-L153 HydrophobicContact CB-CG 3.95Å; I123-L153 HydrophobicContact CD1-CD2 4.14Å; I135-L153 HydrophobicContact CG2-CD2 4.41Å; G136-L153 PolarHBondContact O-N 3.35Å; Y137-L153 CarbonylContact C-O 3.58Å; Y137-L153 WeakPolarHBondContact CA-O 3.44Å; Y137-L153 WeakPolarHBondContact CB-O 3.27Å; K138-L153 PolarHBondContact N-O 3.3Å; V151-L153 HydrophobicContact CG1-CD2 3.58Å |
| 154 | M | 96.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 165.6 | -179.8 | 63.2 | -171.5 | 133.6 | 0 | 0 | 112.5 | H108 T109 Q110 K138 I158 L159 Y172 | H108-M154 PolarHBondContact O-N 3.48Å; T109-M154 CarbonylContact C-O 3.56Å; T109-M154 VanDerWaalsContact CA-O 3.23Å; T109-M154 WeakPolarHBondContact CA-O 3.47Å; T109-M154 HydrophobicContact CG2-CE 4.47Å; T109-M154 HydrophobicContact CG2-CG 4.2Å; Q110-M154 PolarHBondContact N-O 3.43Å; K138-M154 HydrophobicContact CB-CB 4.46Å; K138-M154 WeakPolarHBondContact O-CA 3.43Å; K138-M154 WeakPolarHBondContact O-CB 3.43Å; M154-I158 HydrophobicContact CB-CB 4.12Å; M154-I158 HydrophobicContact CB-CG2 4Å; M154-I158 HydrophobicContact CG-CG2 4.46Å; M154-I158 HydrophobicContact SD-CG2 3.98Å; M154-L159 HydrophobicContact CE-CB 4.46Å; M154-L159 HydrophobicContact CE-CD1 4.14Å; M154-L159 HydrophobicContact SD-CB 3.97Å; M154-L159 HydrophobicContact SD-CD1 4.41Å; M154-Y172 HydrophobicContact CE-CE1 3.63Å; M154-Y172 HydrophobicContact CE-CE2 4.49Å; M154-Y172 WeakPolarHBondContact CE-OH 3.47Å |
| 155 | T | 93.8 | Very high | 90.7 | Very high | 15 Ų | 15 | 37 Ų | 37 | 9% | 0.092 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 151.5 | 167.9 | 49.4 | 0 | 0 | 0 | 0 | 111.5 | Q110 R113 V139 G157 I158 L159 | Q110-T155 WeakPolarHBondContact O-CA 3.16Å; R113-T155 HydrophobicContact CB-CG2 4.3Å; R113-T155 HydrophobicContact CG-CG2 3.73Å; V139-T155 HydrophobicContact CB-CG2 4.4Å; V139-T155 HydrophobicContact CG1-CG2 4.06Å; T155-G157 PolarHBondContact O-N 3.3Å; T155-G157 VanDerWaalsContact O-N 3.14Å; T155-I158 WeakPolarHBondContact O-CB 3.42Å; T155-I158 PolarHBondContact O-N 3.39Å; T155-I158 VanDerWaalsContact OG1-CG1 3.3Å; T155-I158 WeakPolarHBondContact OG1-CG1 3.41Å; T155-L159 PolarHBondContact O-N 3.43Å |
| 156 | D | 93.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -50.4 | -43 | 178.1 | -54.3 | -45.4 | 0 | 0 | 0 | 112.3 | T109 Q110 P111 I158 L159 L160 N186 L190 | T109-D156 WeakPolarHBondContact CB-OD1 3.42Å; T109-D156 PolarHBondContact OG1-OD1 3.06Å; Q110-D156 PolarHBondContact O-N 3.05Å; P111-D156 VanDerWaalsContact CA-OD2 3.31Å; P111-D156 WeakPolarHBondContact CA-OD2 3.42Å; D156-I158 PolarHBondContact O-N 3.39Å; D156-L159 PolarHBondContact O-N 3.29Å; D156-L159 VanDerWaalsContact O-N 3.13Å; D156-L160 PolarHBondContact O-N 2.97Å; D156-L160 VanDerWaalsContact O-N 3.08Å; D156-N186 HydrophobicContact CB-CB 3.74Å; D156-L190 HydrophobicContact CB-CD1 3.92Å |
| 157 | G | 88.5 | Confident | 90.7 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 31% | 0.309 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62 | -23.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T155 A161 | T155-G157 PolarHBondContact O-N 3.3Å; T155-G157 VanDerWaalsContact O-N 3.14Å; G157-A161 WeakPolarHBondContact O-CB 3.45Å; G157-A161 PolarHBondContact O-N 3.48Å |
| 158 | I | 90.8 | Very high | 91.2 | Very high | 22 Ų | 22 | 34.3 Ų | 34.3 | 11% | 0.113 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -74.8 | -41.7 | 175.1 | -69.2 | -71.9 | 0 | 0 | 0 | 110.2 | K138 M154 T155 D156 L160 A161 E162 | K138-I158 HydrophobicContact CB-CG2 4.33Å; K138-I158 HydrophobicContact CD-CG2 3.76Å; K138-I158 HydrophobicContact CG-CD1 4.47Å; K138-I158 HydrophobicContact CG-CG2 3.9Å; M154-I158 HydrophobicContact CB-CB 4.12Å; M154-I158 HydrophobicContact CB-CG2 4Å; M154-I158 HydrophobicContact CG-CG2 4.46Å; M154-I158 HydrophobicContact SD-CG2 3.98Å; T155-I158 WeakPolarHBondContact O-CB 3.42Å; T155-I158 PolarHBondContact O-N 3.39Å; T155-I158 VanDerWaalsContact OG1-CG1 3.3Å; T155-I158 WeakPolarHBondContact OG1-CG1 3.41Å; D156-I158 PolarHBondContact O-N 3.39Å; I158-L160 VanDerWaalsContact C-N 3.31Å; I158-L160 PolarHBondContact O-N 3.35Å; I158-A161 PolarHBondContact O-N 3.35Å; I158-E162 WeakPolarHBondContact O-CG 3.4Å; I158-E162 PolarHBondContact O-N 2.99Å |
| 159 | L | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 175.5 | -176.6 | 59.6 | 0 | 0 | 0 | 110.6 | T109 M154 T155 D156 A161 E162 I163 L169 Y172 I175 I177 L190 | T109-L159 HydrophobicContact CG2-CB 4.13Å; T109-L159 HydrophobicContact CG2-CD2 3.63Å; M154-L159 HydrophobicContact CE-CB 4.46Å; M154-L159 HydrophobicContact CE-CD1 4.14Å; M154-L159 HydrophobicContact SD-CB 3.97Å; M154-L159 HydrophobicContact SD-CD1 4.41Å; T155-L159 PolarHBondContact O-N 3.43Å; D156-L159 PolarHBondContact O-N 3.29Å; D156-L159 VanDerWaalsContact O-N 3.13Å; L159-A161 PolarHBondContact O-N 2.96Å; L159-E162 PolarHBondContact O-N 2.95Å; L159-I163 WeakPolarHBondContact O-CG1 3.44Å; L159-I163 PolarHBondContact O-N 3.08Å; L159-I163 VanDerWaalsContact O-N 3.12Å; L159-L169 HydrophobicContact CD1-CD1 4.41Å; L159-L169 HydrophobicContact CD1-CD2 3.88Å; L159-Y172 HydrophobicContact CD1-CD2 4.25Å; L159-Y172 HydrophobicContact CD1-CE2 3.78Å; L159-I175 HydrophobicContact CD2-CD1 4.4Å; L159-I175 HydrophobicContact CD2-CG2 3.86Å; L159-I177 HydrophobicContact CD2-CD1 4.26Å; L159-L190 HydrophobicContact CB-CD1 4.42Å; L159-L190 HydrophobicContact CB-CD2 4.22Å; L159-L190 HydrophobicContact CD2-CD1 4.12Å; L159-L190 HydrophobicContact CD2-CD2 3.76Å; L159-L190 HydrophobicContact CG-CD2 3.79Å |
| 160 | L | 89.1 | Confident | 91.6 | Very high | 14 Ų | 14 | 30.2 Ų | 30.2 | 7% | 0.073 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59 | -45.3 | 173.8 | -73.8 | 173.8 | 0 | 0 | 0 | 113.2 | D156 I158 E162 I163 N186 F189 L190 | D156-L160 PolarHBondContact O-N 2.97Å; D156-L160 VanDerWaalsContact O-N 3.08Å; I158-L160 VanDerWaalsContact C-N 3.31Å; I158-L160 PolarHBondContact O-N 3.35Å; L160-E162 VanDerWaalsContact C-N 3.27Å; L160-E162 PolarHBondContact O-N 3.04Å; L160-I163 HydrophobicContact CD2-CD1 4.28Å; L160-I163 WeakPolarHBondContact O-CB 3.47Å; L160-I163 PolarHBondContact O-N 3.43Å; L160-N186 HydrophobicContact CD1-CB 3.52Å; L160-N186 VanDerWaalsContact CD1-CG 3.48Å; L160-N186 WeakPolarHBondContact CD1-OD1 3.28Å; L160-F189 HydrophobicContact CD2-CB 4.29Å; L160-F189 HydrophobicContact CD2-CD1 3.21Å; L160-F189 HydrophobicContact CD2-CE1 3.75Å; L160-F189 HydrophobicContact CD2-CG 3.97Å; L160-L190 HydrophobicContact CD2-CD2 3.5Å; L160-L190 HydrophobicContact CD2-CG 3.68Å; L160-L190 HydrophobicContact CG-CD1 4.34Å; L160-L190 HydrophobicContact CG-CD2 3.81Å; L160-L190 HydrophobicContact CG-CG 3.85Å |
| 161 | A | 84.1 | Confident | 91.6 | Very high | 51 Ų | 51 | 32 Ų | 32 | 42% | 0.421 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.9 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G157 I158 L159 I163 Q164 | G157-A161 WeakPolarHBondContact O-CB 3.45Å; G157-A161 PolarHBondContact O-N 3.48Å; I158-A161 PolarHBondContact O-N 3.35Å; L159-A161 PolarHBondContact O-N 2.96Å; A161-I163 VanDerWaalsContact C-N 3.33Å; A161-I163 PolarHBondContact O-N 2.91Å; A161-Q164 WeakPolarHBondContact O-CB 3.29Å; A161-Q164 PolarHBondContact O-N 3.3Å |
| 162 | E | 90.2 | Very high | 91.6 | Very high | 19 Ų | 19 | 32 Ų | 32 | 9% | 0.089 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.8 | -28 | 179.6 | -73.1 | 179.6 | 178.6 | 0 | 0 | 113.4 | K138 K152 I158 L159 L160 Q164 Q165 D166 Y172 | K138-E162 IonicContact NZ-OE1 2.8Å; K138-E162 PolarHBondContact NZ-OE1 2.87Å; K152-E162 IonicContact NZ-OE1 3.72Å; K152-E162 PolarHBondContact NZ-OE1 3.01Å; K152-E162 IonicContact NZ-OE2 3.39Å; K152-E162 PolarHBondContact NZ-OE2 3.2Å; I158-E162 WeakPolarHBondContact O-CG 3.4Å; I158-E162 PolarHBondContact O-N 2.99Å; L159-E162 PolarHBondContact O-N 2.95Å; L160-E162 VanDerWaalsContact C-N 3.27Å; L160-E162 PolarHBondContact O-N 3.04Å; E162-Q164 PolarHBondContact O-N 2.68Å; E162-Q165 PolarHBondContact O-N 2.98Å; E162-Q165 VanDerWaalsContact O-N 3.15Å; E162-D166 PolarHBondContact O-N 3.26Å; E162-Y172 PolarHBondContact OE2-OH 2.9Å |
| 163 | I | 89.9 | Confident | 91.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.2 | -33 | 173.6 | -72.6 | 168.2 | 0 | 0 | 0 | 111.8 | L159 L160 A161 Q165 D166 R167 L169 L190 Y193 L424 | L159-I163 WeakPolarHBondContact O-CG1 3.44Å; L159-I163 PolarHBondContact O-N 3.08Å; L159-I163 VanDerWaalsContact O-N 3.12Å; L160-I163 HydrophobicContact CD2-CD1 4.28Å; L160-I163 WeakPolarHBondContact O-CB 3.47Å; L160-I163 PolarHBondContact O-N 3.43Å; A161-I163 VanDerWaalsContact C-N 3.33Å; A161-I163 PolarHBondContact O-N 2.91Å; I163-Q165 VanDerWaalsContact C-N 3.26Å; I163-Q165 PolarHBondContact O-N 3.45Å; I163-D166 CarbonylContact O-C 3.57Å; I163-R167 WeakPolarHBondContact O-CA 3.46Å; I163-R167 WeakPolarHBondContact O-CG 3.26Å; I163-R167 PolarHBondContact O-N 3.04Å; I163-L169 HydrophobicContact CD1-CD1 4.5Å; I163-L169 HydrophobicContact CG1-CD1 4.17Å; I163-L169 HydrophobicContact CG1-CD2 3.74Å; I163-L169 HydrophobicContact CG1-CG 4.18Å; I163-L190 HydrophobicContact CD1-CD2 3.74Å; I163-Y193 HydrophobicContact CD1-CD1 3.55Å; I163-Y193 HydrophobicContact CD1-CE1 3.82Å; I163-Y193 HydrophobicContact CD1-CG 3.95Å; I163-Y193 HydrophobicContact CG1-CD1 4.18Å; I163-Y193 HydrophobicContact CG1-CE1 3.91Å; I163-Y193 HydrophobicContact CG2-CD1 4.4Å; I163-Y193 HydrophobicContact CG2-CD2 4.2Å; I163-Y193 HydrophobicContact CG2-CE1 3.79Å; I163-Y193 HydrophobicContact CG2-CE2 3.55Å; I163-Y193 WeakPolarHBondContact CG2-OH 3.48Å; I163-L424 HydrophobicContact CG2-CD1 3.88Å; I163-L424 HydrophobicContact CG2-CD2 4.11Å |
| 164 | Q | 82.3 | Confident | 91.6 | Very high | 78 Ų | 78 | 32.3 Ų | 32.3 | 36% | 0.364 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.8 | -37.1 | 179.6 | -62 | -171.7 | -13.2 | 0 | 0 | 112.4 | A161 E162 | A161-Q164 WeakPolarHBondContact O-CB 3.29Å; A161-Q164 PolarHBondContact O-N 3.3Å; E162-Q164 PolarHBondContact O-N 2.68Å |
| 165 | Q | 83 | Confident | 91.7 | Very high | 185 Ų | 185 | 32.3 Ų | 32.3 | 86% | 0.864 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -97.5 | -32.6 | -178.1 | -62.1 | 179.2 | -6.7 | 0 | 0 | 112.5 | E162 I163 | E162-Q165 PolarHBondContact O-N 2.98Å; E162-Q165 VanDerWaalsContact O-N 3.15Å; I163-Q165 VanDerWaalsContact C-N 3.26Å; I163-Q165 PolarHBondContact O-N 3.45Å |
| 166 | D | 89.8 | Confident | 91.9 | Very high | 21 Ų | 21 | 31.6 Ų | 31.6 | 11% | 0.112 | 16% | 0.162 | C | C | . | . | trans | -122.7 | 71 | -178.8 | -167.5 | -5.7 | 0 | 0 | 0 | 110 | R3 E162 I163 L168 L169 M170 Q171 | R3-D166 IonicContact CZ-OD2 2.66Å; R3-D166 IonicContact NE-OD2 3.3Å; R3-D166 IonicContact NH2-OD2 2.82Å; R3-D166 PolarHBondContact NH2-OD2 3.2Å; E162-D166 PolarHBondContact O-N 3.26Å; I163-D166 CarbonylContact O-C 3.57Å; D166-L168 PolarHBondContact O-N 3.49Å; D166-L168 VanDerWaalsContact O-N 3.13Å; D166-L169 WeakPolarHBondContact O-CA 3.33Å; D166-L169 PolarHBondContact O-N 2.84Å; D166-L169 PolarHBondContact OD1-N 2.62Å; D166-L169 VanDerWaalsContact OD1-N 3.17Å; D166-M170 VanDerWaalsContact CG-N 3.28Å; D166-M170 PolarHBondContact OD1-N 3.46Å; D166-M170 PolarHBondContact OD2-N 2.82Å; D166-M170 VanDerWaalsContact OD2-N 3.11Å; D166-Q171 PolarHBondContact OD2-N 2.93Å | ||
| 167 | R | 90.1 | Very high | 92.1 | Very high | 131 Ų | 131 | 31.4 Ų | 31.4 | 49% | 0.494 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -31 | -177.5 | -63.6 | -175.8 | -177 | -160.1 | -2.7 | 113.3 | I163 L169 Y193 L424 | I163-R167 WeakPolarHBondContact O-CA 3.46Å; I163-R167 WeakPolarHBondContact O-CG 3.26Å; I163-R167 PolarHBondContact O-N 3.04Å; R167-L169 VanDerWaalsContact C-N 3.3Å; R167-Y193 WeakPolarHBondContact CA-OH 3.47Å; R167-Y193 PolarHBondContact O-OH 3.25Å; R167-L424 PolarHBondContact NH1-O 2.91Å |
| 168 | L | 92.2 | Very high | 92.3 | Very high | 37 Ų | 37 | 30 Ų | 30 | 19% | 0.194 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 0.6 | 178 | -70.4 | 179.7 | 0 | 0 | 0 | 112.7 | L6 D166 M170 L197 R201 | L6-L168 HydrophobicContact CD1-CD1 4.11Å; D166-L168 PolarHBondContact O-N 3.49Å; D166-L168 VanDerWaalsContact O-N 3.13Å; L168-M170 HydrophobicContact CB-CG 3.69Å; L168-M170 HydrophobicContact CB-SD 3.89Å; L168-M170 PolarHBondContact O-N 3.35Å; L168-L197 HydrophobicContact CD2-CD1 3.69Å; L168-R201 PolarHBondContact O-NH1 3.33Å |
| 169 | L | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | 48.1 | 43.9 | -174.4 | -66 | 175.2 | 0 | 0 | 0 | 111.5 | L159 I163 D166 R167 Q171 Y172 I175 Y193 L194 L197 R201 | L159-L169 HydrophobicContact CD1-CD1 4.41Å; L159-L169 HydrophobicContact CD1-CD2 3.88Å; I163-L169 HydrophobicContact CD1-CD1 4.5Å; I163-L169 HydrophobicContact CG1-CD1 4.17Å; I163-L169 HydrophobicContact CG1-CD2 3.74Å; I163-L169 HydrophobicContact CG1-CG 4.18Å; D166-L169 WeakPolarHBondContact O-CA 3.33Å; D166-L169 PolarHBondContact O-N 2.84Å; D166-L169 PolarHBondContact OD1-N 2.62Å; D166-L169 VanDerWaalsContact OD1-N 3.17Å; R167-L169 VanDerWaalsContact C-N 3.3Å; L169-Q171 PolarHBondContact O-N 3.07Å; L169-Y172 HydrophobicContact CB-CD2 4.22Å; L169-Y172 HydrophobicContact CD2-CD2 4.15Å; L169-Y172 HydrophobicContact CD2-CE2 4.3Å; L169-Y172 PolarHBondContact O-N 2.71Å; L169-I175 HydrophobicContact CB-CD1 4.47Å; L169-I175 HydrophobicContact CD1-CD1 3.61Å; L169-Y193 HydrophobicContact CD1-CE1 4.37Å; L169-L194 HydrophobicContact CD1-CD2 3.92Å; L169-L197 HydrophobicContact CB-CD2 4.11Å; L169-L197 HydrophobicContact CD1-CD2 3.88Å; L169-L197 HydrophobicContact CG-CD2 4.13Å; L169-R201 PolarHBondContact O-NH1 3.15Å | ||
| 170 | M | 94 | Very high | 92.2 | Very high | 22 Ų | 22 | 29.1 Ų | 29.1 | 11% | 0.108 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -14.4 | -176.7 | -66.2 | -59.1 | -61.6 | 0 | 0 | 112.8 | L2 R3 L6 D166 L168 Y172 | L2-M170 HydrophobicContact CB-CE 4.1Å; L2-M170 WeakPolarHBondContact CB-O 3.49Å; L2-M170 WeakPolarHBondContact O-CE 3.35Å; R3-M170 HydrophobicContact CG-CB 3.93Å; L6-M170 HydrophobicContact CB-CE 4.13Å; L6-M170 HydrophobicContact CD1-CE 4.07Å; L6-M170 HydrophobicContact CD1-CG 4.35Å; L6-M170 HydrophobicContact CD1-SD 4.2Å; D166-M170 VanDerWaalsContact CG-N 3.28Å; D166-M170 PolarHBondContact OD1-N 3.46Å; D166-M170 PolarHBondContact OD2-N 2.82Å; D166-M170 VanDerWaalsContact OD2-N 3.11Å; L168-M170 HydrophobicContact CB-CG 3.69Å; L168-M170 HydrophobicContact CB-SD 3.89Å; L168-M170 PolarHBondContact O-N 3.35Å; M170-Y172 PolarHBondContact O-N 3.09Å |
| 171 | Q | 93.4 | Very high | 92.2 | Very high | 41 Ų | 41 | 29.1 Ų | 29.1 | 19% | 0.192 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -31.1 | 167 | -164.7 | 159.3 | -16.1 | 0 | 0 | 112.9 | G104 L105 D166 L169 | G104-Q171 CarbonylContact C-O 3.55Å; G104-Q171 WeakPolarHBondContact CA-O 3.33Å; L105-Q171 HydrophobicContact CD1-CG 3.84Å; L105-Q171 HydrophobicContact CG-CG 4.25Å; L105-Q171 PolarHBondContact N-O 3.01Å; D166-Q171 PolarHBondContact OD2-N 2.93Å; L169-Q171 PolarHBondContact O-N 3.07Å |
| 172 | Y | 97.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 137.2 | -168.4 | -57.1 | -75.9 | 0 | 0 | 0 | 111.5 | L2 L105 K152 M154 L159 E162 L169 M170 I175 R201 | L2-Y172 WeakPolarHBondContact CD1-O 3.47Å; L105-Y172 HydrophobicContact CB-CD1 3.76Å; L105-Y172 HydrophobicContact CB-CE1 3.95Å; L105-Y172 HydrophobicContact CD1-CE1 4.33Å; L105-Y172 VanDerWaalsContact O-CA 3.31Å; L105-Y172 WeakPolarHBondContact O-CA 3.33Å; K152-Y172 HydrophobicContact CD-CE1 4.32Å; K152-Y172 PolarHBondContact NZ-OH 3.4Å; M154-Y172 HydrophobicContact CE-CE1 3.63Å; M154-Y172 HydrophobicContact CE-CE2 4.49Å; M154-Y172 WeakPolarHBondContact CE-OH 3.47Å; L159-Y172 HydrophobicContact CD1-CD2 4.25Å; L159-Y172 HydrophobicContact CD1-CE2 3.78Å; E162-Y172 PolarHBondContact OE2-OH 2.9Å; L169-Y172 HydrophobicContact CB-CD2 4.22Å; L169-Y172 HydrophobicContact CD2-CD2 4.15Å; L169-Y172 HydrophobicContact CD2-CE2 4.3Å; L169-Y172 PolarHBondContact O-N 2.71Å; M170-Y172 PolarHBondContact O-N 3.09Å; Y172-I175 HydrophobicContact CG-CD1 4.5Å; Y172-I175 HydrophobicContact CG-CG1 4.22Å; Y172-R201 PolarHBondContact O-NH2 3.17Å; Y172-R201 VanDerWaalsContact O-NH2 3.1Å |
| 173 | D | 96.7 | Very high | 92.3 | Very high | 8 Ų | 8 | 28.8 Ų | 28.8 | 4% | 0.043 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -21.3 | 166.2 | 64.3 | 39.2 | 0 | 0 | 0 | 112.2 | L2 G101 G104 L105 K205 | L2-D173 HydrophobicContact CD1-CB 3.76Å; G101-D173 WeakPolarHBondContact CA-OD2 3.13Å; G101-D173 PolarHBondContact N-OD1 3.28Å; G101-D173 VanDerWaalsContact N-OD1 3.08Å; G101-D173 PolarHBondContact N-OD2 3.44Å; G104-D173 PolarHBondContact N-OD2 3.44Å; L105-D173 PolarHBondContact O-N 2.77Å; D173-K205 PolarHBondContact O-N 3.3Å |
| 174 | T | 98.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 136.7 | 179.6 | -50 | 0 | 0 | 0 | 0 | 109.1 | R100 L105 I106 G107 K205 I207 | R100-T174 WeakPolarHBondContact CB-OG1 3.05Å; R100-T174 WeakPolarHBondContact CD-OG1 3.28Å; R100-T174 WeakPolarHBondContact CG-OG1 3.47Å; L105-T174 PolarHBondContact O-N 3.19Å; I106-T174 CarbonylContact C-O 3.5Å; I106-T174 WeakPolarHBondContact CA-O 3Å; I106-T174 HydrophobicContact CG2-CG2 4.47Å; G107-T174 PolarHBondContact N-O 2.72Å; T174-K205 CarbonylContact C-O 3.54Å; T174-K205 VanDerWaalsContact CA-O 3.27Å; T174-K205 WeakPolarHBondContact CA-O 3.49Å; T174-K205 HydrophobicContact CG2-CB 4.09Å; T174-I207 HydrophobicContact CG2-CD1 4.3Å |
| 175 | I | 98.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.6 | 172.3 | -64.2 | 169.3 | 0 | 0 | 0 | 108.6 | G107 L159 L169 Y172 I177 L194 L204 K205 I206 I207 | G107-I175 CarbonylContact O-C 3.33Å; G107-I175 VanDerWaalsContact O-CA 3.27Å; G107-I175 WeakPolarHBondContact O-CA 3.28Å; L159-I175 HydrophobicContact CD2-CD1 4.4Å; L159-I175 HydrophobicContact CD2-CG2 3.86Å; L169-I175 HydrophobicContact CB-CD1 4.47Å; L169-I175 HydrophobicContact CD1-CD1 3.61Å; Y172-I175 HydrophobicContact CG-CD1 4.5Å; Y172-I175 HydrophobicContact CG-CG1 4.22Å; I175-I177 HydrophobicContact CG2-CD1 3.67Å; I175-I177 HydrophobicContact CG2-CG1 4.22Å; I175-L194 HydrophobicContact CD1-CD2 3.87Å; I175-L194 HydrophobicContact CG2-CD1 4.43Å; I175-L204 HydrophobicContact CD1-CD1 4.18Å; I175-L204 HydrophobicContact CD1-CD2 4.34Å; I175-L204 HydrophobicContact CG1-CD1 4.2Å; I175-K205 PolarHBondContact N-O 2.9Å; I175-I206 HydrophobicContact CB-CD1 3.85Å; I175-I206 HydrophobicContact CD1-CD1 4.39Å; I175-I206 CarbonylContact O-C 3.53Å; I175-I206 VanDerWaalsContact O-CA 3.32Å; I175-I206 WeakPolarHBondContact O-CA 3.48Å; I175-I207 PolarHBondContact O-N 2.94Å |
| 176 | I | 98.5 | Very high | 93 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 115.9 | 173.2 | -52.8 | 174.4 | 0 | 0 | 0 | 106.8 | L91 P92 I106 G107 H108 T109 I207 T209 | L91-I176 HydrophobicContact CB-CD1 4.33Å; P92-I176 HydrophobicContact CB-CD1 4.32Å; P92-I176 HydrophobicContact CG-CD1 3.91Å; I106-I176 HydrophobicContact CG2-CD1 3.86Å; I106-I176 HydrophobicContact CG2-CG1 4.24Å; G107-I176 PolarHBondContact O-N 3.29Å; H108-I176 HydrophobicContact CB-CB 4.28Å; H108-I176 HydrophobicContact CB-CD1 4.45Å; H108-I176 WeakPolarHBondContact CD2-CG2 3.39Å; T109-I176 PolarHBondContact N-O 2.72Å; I176-I207 CarbonylContact C-O 3.56Å; I176-I207 VanDerWaalsContact CA-O 3.27Å; I176-I207 WeakPolarHBondContact CA-O 3.19Å; I176-I207 HydrophobicContact CG1-CB 4.17Å; I176-I207 HydrophobicContact CG1-CD1 4.16Å; I176-I207 HydrophobicContact CG2-CB 4.35Å; I176-I207 HydrophobicContact CG2-CG2 4.45Å; I176-T209 HydrophobicContact CG2-CG2 4.14Å |
| 177 | I | 97 | Very high | 93.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 97.7 | 170.2 | -54.6 | -58.8 | 0 | 0 | 0 | 107 | T109 L159 I175 A180 I187 L190 L191 L194 I207 T209 | T109-I177 HydrophobicContact CG2-CD1 3.97Å; L159-I177 HydrophobicContact CD2-CD1 4.26Å; I175-I177 HydrophobicContact CG2-CD1 3.67Å; I175-I177 HydrophobicContact CG2-CG1 4.22Å; I177-A180 HydrophobicContact CG2-CB 4.36Å; I177-I187 HydrophobicContact CG2-CG2 4.12Å; I177-L190 HydrophobicContact CD1-CB 4.48Å; I177-L190 HydrophobicContact CD1-CD1 4.21Å; I177-L191 HydrophobicContact CB-CD2 4.45Å; I177-L191 HydrophobicContact CG1-CD2 4.22Å; I177-L191 HydrophobicContact CG2-CD2 4.26Å; I177-L194 HydrophobicContact CD1-CD1 4.15Å; I177-L194 HydrophobicContact CG1-CD1 4.1Å; I177-I207 PolarHBondContact N-O 3.3Å; I177-T209 PolarHBondContact O-N 3.24Å |
| 178 | D | 94 | Very high | 93.3 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 155.1 | -179 | -149.1 | 30.5 | 0 | 0 | 0 | 110.9 | T88 H108 T109 Q110 A180 T209 | T88-D178 VanDerWaalsContact CB-OD2 3.25Å; T88-D178 WeakPolarHBondContact CB-OD2 3.29Å; T88-D178 WeakPolarHBondContact CG2-OD2 3.39Å; T88-D178 PolarHBondContact OG1-OD2 3.1Å; H108-D178 WeakPolarHBondContact NE2-CB 3.44Å; H108-D178 IonicContact NE2-OD2 3.45Å; T109-D178 WeakPolarHBondContact O-CB 3.49Å; T109-D178 PolarHBondContact O-N 3.4Å; Q110-D178 VanDerWaalsContact NE2-CB 3.34Å; Q110-D178 PolarHBondContact NE2-OD2 2.79Å; D178-A180 PolarHBondContact O-N 3.45Å; D178-A180 VanDerWaalsContact O-N 3.16Å; D178-T209 WeakPolarHBondContact CA-OG1 3.35Å; D178-T209 VanDerWaalsContact OD1-CB 3.28Å; D178-T209 WeakPolarHBondContact OD1-CB 3.38Å; D178-T209 WeakPolarHBondContact OD1-CG2 3.33Å; D178-T209 PolarHBondContact OD1-OG1 3.29Å |
| 179 | E | 90.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 12.1 Ų | 12.1 | 2% | 0.019 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 35.8 | 175.7 | -51.1 | -79.4 | 97.8 | 0 | 0 | 112.4 | P111 H181 E182 T209 S335 | P111-E179 HydrophobicContact CG-CB 3.77Å; P111-E179 HydrophobicContact CG-CG 4.49Å; E179-H181 VanDerWaalsContact CD-CE1 3.43Å; E179-H181 PolarHBondContact O-N 3.29Å; E179-H181 IonicContact OE1-CE1 3.23Å; E179-H181 IonicContact OE2-CE1 3.34Å; E179-H181 PolarHBondContact OE2-CE1 3.49Å; E179-H181 IonicContact OE2-NE2 2.72Å; E179-E182 PolarHBondContact O-N 3.07Å; E179-T209 PolarHBondContact N-OG1 3.4Å; E179-T209 VanDerWaalsContact N-OG1 3.09Å; E179-S335 PolarHBondContact OE2-N 3.08Å; E179-S335 PolarHBondContact OE2-OG 2.91Å |
| 180 | A | 91.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | G | 310 helix | trans | -58.4 | -15.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I177 D178 E182 R183 I187 I208 T209 F218 | I177-A180 HydrophobicContact CG2-CB 4.36Å; D178-A180 PolarHBondContact O-N 3.45Å; D178-A180 VanDerWaalsContact O-N 3.16Å; A180-E182 PolarHBondContact O-N 2.88Å; A180-R183 WeakPolarHBondContact O-CD 3.39Å; A180-R183 PolarHBondContact O-N 3.1Å; A180-I187 HydrophobicContact CB-CG2 4.32Å; A180-I208 HydrophobicContact CB-CG2 3.58Å; A180-T209 VanDerWaalsContact CB-O 3.24Å; A180-T209 WeakPolarHBondContact CB-O 3.47Å; A180-T209 PolarHBondContact N-O 3.19Å; A180-F218 HydrophobicContact CB-CE1 4.25Å; A180-F218 HydrophobicContact CB-CE2 4.13Å; A180-F218 HydrophobicContact CB-CZ 3.79Å; A180-F218 WeakPolarHBondContact O-CZ 3.34Å |
| 181 | H | 88.2 | Confident | 93.2 | Very high | 13 Ų | 13 | 11.1 Ų | 11.1 | 6% | 0.06 | 6% | 0.056 | C | C | . | . | G | 310 helix | trans | -65.3 | -19.4 | 172.6 | 69.7 | -97.8 | 0 | 0 | 0 | 114.6 | E179 R183 A211 I213 T334 Q376 | E179-H181 VanDerWaalsContact CD-CE1 3.43Å; E179-H181 PolarHBondContact O-N 3.29Å; E179-H181 IonicContact OE1-CE1 3.23Å; E179-H181 IonicContact OE2-CE1 3.34Å; E179-H181 PolarHBondContact OE2-CE1 3.49Å; E179-H181 IonicContact OE2-NE2 2.72Å; H181-R183 PolarHBondContact O-N 3.03Å; H181-A211 PolarHBondContact ND1-N 3.03Å; H181-I213 HydrophobicContact CB-CB 4.09Å; H181-I213 HydrophobicContact CB-CD1 3.97Å; H181-I213 HydrophobicContact CB-CG1 3.73Å; H181-I213 WeakPolarHBondContact O-CD1 3.37Å; H181-T334 WeakPolarHBondContact NE2-CG2 3.21Å; H181-Q376 PolarHBondContact CD2-NE2 2.97Å; H181-Q376 PolarHBondContact NE2-NE2 3.42Å |
| 182 | E | 86.7 | Confident | 93.2 | Very high | 51 Ų | 51 | 9.1 Ų | 9.1 | 24% | 0.238 | 5% | 0.047 | C | C | . | . | G | 310 helix | trans | -67.8 | -18.9 | 175.1 | -70.7 | -158.8 | -178.1 | 0 | 0 | 112.4 | P111 R112 E179 A180 S184 I187 T334 | P111-E182 WeakPolarHBondContact CB-OE2 3.16Å; P111-E182 HydrophobicContact CG-CB 4.44Å; P111-E182 HydrophobicContact CG-CG 4.11Å; P111-E182 WeakPolarHBondContact CG-OE2 3.27Å; R112-E182 IonicContact CZ-OE1 3.87Å; R112-E182 IonicContact NE-OE1 3.98Å; R112-E182 IonicContact NH2-OE1 2.92Å; E179-E182 PolarHBondContact O-N 3.07Å; A180-E182 PolarHBondContact O-N 2.88Å; E182-S184 PolarHBondContact O-N 2.92Å; E182-S184 VanDerWaalsContact O-N 3.09Å; E182-I187 HydrophobicContact CB-CD1 4.33Å; E182-T334 HydrophobicContact CG-CG2 4.46Å; E182-T334 WeakPolarHBondContact OE1-CB 3.17Å; E182-T334 PolarHBondContact OE1-OG1 3.1Å |
| 183 | R | 91.2 | Very high | 93 | Very high | 12 Ų | 12 | 9.8 Ų | 9.8 | 5% | 0.045 | 5% | 0.049 | C | C | . | . | trans | 45.9 | 43 | 178.7 | -64 | -60.9 | -53.6 | -72.7 | -3.8 | 112.6 | A180 H181 D188 I213 P407 E408 E436 | A180-R183 WeakPolarHBondContact O-CD 3.39Å; A180-R183 PolarHBondContact O-N 3.1Å; H181-R183 PolarHBondContact O-N 3.03Å; R183-D188 IonicContact CZ-OD1 2.76Å; R183-D188 IonicContact CZ-OD2 4Å; R183-D188 IonicContact NE-OD1 3.27Å; R183-D188 PolarHBondContact NE-OD1 2.94Å; R183-D188 IonicContact NE-OD2 3.57Å; R183-D188 IonicContact NH2-OD1 2.71Å; R183-D188 IonicContact NH2-OD2 3.65Å; R183-D188 PolarHBondContact NH2-OD2 3.49Å; R183-I213 HydrophobicContact CG-CD1 3.56Å; R183-P407 HydrophobicContact CB-CB 4.06Å; R183-P407 HydrophobicContact CB-CG 4.34Å; R183-P407 VanDerWaalsContact CZ-CG 3.44Å; R183-P407 VanDerWaalsContact NH2-CG 3.32Å; R183-E408 WeakPolarHBondContact O-CB 3.14Å; R183-E408 PolarHBondContact O-N 2.57Å; R183-E436 IonicContact NH1-OE2 3.36Å | ||
| 184 | S | 90 | Very high | 93 | Very high | 14 Ų | 14 | 9.4 Ų | 9.4 | 10% | 0.098 | 5% | 0.047 | C | C | . | . | trans | -70.5 | 157.3 | 175.7 | 79.1 | 0 | 0 | 0 | 0 | 110.5 | E182 N186 I187 D188 E408 | E182-S184 PolarHBondContact O-N 2.92Å; E182-S184 VanDerWaalsContact O-N 3.09Å; S184-N186 PolarHBondContact O-N 3.19Å; S184-I187 PolarHBondContact O-N 3.38Å; S184-I187 WeakPolarHBondContact OG-CD1 3.28Å; S184-I187 VanDerWaalsContact OG-CG1 3.29Å; S184-I187 WeakPolarHBondContact OG-CG1 3.4Å; S184-I187 PolarHBondContact OG-N 2.83Å; S184-D188 PolarHBondContact O-N 2.82Å; S184-E408 VanDerWaalsContact CA-OE2 3.22Å; S184-E408 WeakPolarHBondContact CA-OE2 3.25Å; S184-E408 WeakPolarHBondContact CB-OE2 3.44Å | ||
| 185 | L | 88.5 | Confident | 92.8 | Very high | 19 Ų | 19 | 12.5 Ų | 12.5 | 10% | 0.099 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -57.7 | -38 | 179.2 | -174.6 | 66.3 | 0 | 0 | 0 | 111.5 | F189 E408 I409 T412 L414 V417 | L185-F189 WeakPolarHBondContact O-CB 3.27Å; L185-F189 PolarHBondContact O-N 2.93Å; L185-E408 HydrophobicContact CB-CB 4.49Å; L185-E408 HydrophobicContact CB-CG 4.27Å; L185-E408 PolarHBondContact N-OE2 3.13Å; L185-I409 HydrophobicContact CD1-CB 3.82Å; L185-I409 HydrophobicContact CD1-CD1 4.32Å; L185-I409 HydrophobicContact CD1-CG1 3.76Å; L185-T412 HydrophobicContact CD1-CG2 4.17Å; L185-T412 HydrophobicContact CD2-CG2 3.88Å; L185-T412 HydrophobicContact CG-CG2 4.48Å; L185-L414 HydrophobicContact CD1-CD2 4.02Å; L185-V417 HydrophobicContact CD1-CG2 3.92Å; L185-V417 HydrophobicContact CD2-CG2 3.45Å; L185-V417 VanDerWaalsContact CD2-CG2 3.45Å; L185-V417 HydrophobicContact CG-CG2 3.68Å |
| 186 | N | 90.9 | Very high | 92.5 | Very high | 66 Ų | 66 | 16 Ų | 16 | 35% | 0.353 | 8% | 0.077 | S | C | . | . | H | α-helix | trans | -67.6 | -43.2 | 179.9 | -68.5 | -27.1 | 0 | 0 | 0 | 111.9 | D156 L160 S184 L190 | D156-N186 HydrophobicContact CB-CB 3.74Å; L160-N186 HydrophobicContact CD1-CB 3.52Å; L160-N186 VanDerWaalsContact CD1-CG 3.48Å; L160-N186 WeakPolarHBondContact CD1-OD1 3.28Å; S184-N186 PolarHBondContact O-N 3.19Å; N186-L190 WeakPolarHBondContact O-CB 3.31Å; N186-L190 VanDerWaalsContact O-CG 3.25Å; N186-L190 WeakPolarHBondContact O-CG 3.33Å; N186-L190 PolarHBondContact O-N 2.93Å |
| 187 | I | 93 | Very high | 92.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62 | -51.3 | 177.5 | -70.3 | 166.5 | 0 | 0 | 0 | 109.5 | P111 I177 A180 E182 S184 F189 L190 L191 | P111-I187 HydrophobicContact CG-CD1 4.29Å; I177-I187 HydrophobicContact CG2-CG2 4.12Å; A180-I187 HydrophobicContact CB-CG2 4.32Å; E182-I187 HydrophobicContact CB-CD1 4.33Å; S184-I187 PolarHBondContact O-N 3.38Å; S184-I187 WeakPolarHBondContact OG-CD1 3.28Å; S184-I187 VanDerWaalsContact OG-CG1 3.29Å; S184-I187 WeakPolarHBondContact OG-CG1 3.4Å; S184-I187 PolarHBondContact OG-N 2.83Å; I187-F189 VanDerWaalsContact C-N 3.29Å; I187-F189 PolarHBondContact O-N 3.03Å; I187-L190 WeakPolarHBondContact O-CB 3.47Å; I187-L190 PolarHBondContact O-N 3.18Å; I187-L190 VanDerWaalsContact O-N 3.09Å; I187-L191 HydrophobicContact CG2-CD1 3.98Å; I187-L191 HydrophobicContact CG2-CG 4.24Å; I187-L191 WeakPolarHBondContact O-CG 3.35Å; I187-L191 PolarHBondContact O-N 3.09Å |
| 188 | D | 92.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.8 | -39.5 | -177.8 | -83.4 | 22.9 | 0 | 0 | 0 | 112 | R183 S184 G192 | R183-D188 IonicContact CZ-OD1 2.76Å; R183-D188 IonicContact CZ-OD2 4Å; R183-D188 IonicContact NE-OD1 3.27Å; R183-D188 PolarHBondContact NE-OD1 2.94Å; R183-D188 IonicContact NE-OD2 3.57Å; R183-D188 IonicContact NH2-OD1 2.71Å; R183-D188 IonicContact NH2-OD2 3.65Å; R183-D188 PolarHBondContact NH2-OD2 3.49Å; S184-D188 PolarHBondContact O-N 2.82Å; D188-G192 PolarHBondContact O-N 2.8Å |
| 189 | F | 91.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 2% | 0.018 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.6 | -48.4 | 172.6 | -172.1 | -75.2 | 0 | 0 | 0 | 112 | L160 L185 I187 L191 G192 Y193 V417 M421 L424 L426 | L160-F189 HydrophobicContact CD2-CB 4.29Å; L160-F189 HydrophobicContact CD2-CD1 3.21Å; L160-F189 HydrophobicContact CD2-CE1 3.75Å; L160-F189 HydrophobicContact CD2-CG 3.97Å; L185-F189 WeakPolarHBondContact O-CB 3.27Å; L185-F189 PolarHBondContact O-N 2.93Å; I187-F189 VanDerWaalsContact C-N 3.29Å; I187-F189 PolarHBondContact O-N 3.03Å; F189-L191 VanDerWaalsContact C-N 3.32Å; F189-L191 PolarHBondContact O-N 2.85Å; F189-G192 PolarHBondContact O-N 3.31Å; F189-Y193 HydrophobicContact CE1-CD2 4.34Å; F189-Y193 WeakPolarHBondContact O-CB 3.49Å; F189-Y193 PolarHBondContact O-N 3.1Å; F189-V417 HydrophobicContact CD2-CG1 3.81Å; F189-V417 HydrophobicContact CE2-CG1 4.07Å; F189-M421 HydrophobicContact CD2-CG 4.35Å; F189-M421 HydrophobicContact CE2-CG 3.4Å; F189-M421 VanDerWaalsContact CE2-CG 3.4Å; F189-M421 HydrophobicContact CE2-SD 4.21Å; F189-M421 HydrophobicContact CZ-CG 4.05Å; F189-L424 HydrophobicContact CE1-CD1 4.44Å; F189-L424 HydrophobicContact CZ-CD1 4.11Å; F189-L426 HydrophobicContact CE1-CD1 4.47Å; F189-L426 HydrophobicContact CZ-CD1 3.91Å |
| 190 | L | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.8 | -44.6 | 179.8 | -77.3 | 171.1 | 0 | 0 | 0 | 111 | D156 L159 L160 I163 I177 N186 I187 G192 Y193 L194 | D156-L190 HydrophobicContact CB-CD1 3.92Å; L159-L190 HydrophobicContact CB-CD1 4.42Å; L159-L190 HydrophobicContact CB-CD2 4.22Å; L159-L190 HydrophobicContact CD2-CD1 4.12Å; L159-L190 HydrophobicContact CD2-CD2 3.76Å; L159-L190 HydrophobicContact CG-CD2 3.79Å; L160-L190 HydrophobicContact CD2-CD2 3.5Å; L160-L190 HydrophobicContact CD2-CG 3.68Å; L160-L190 HydrophobicContact CG-CD1 4.34Å; L160-L190 HydrophobicContact CG-CD2 3.81Å; L160-L190 HydrophobicContact CG-CG 3.85Å; I163-L190 HydrophobicContact CD1-CD2 3.74Å; I177-L190 HydrophobicContact CD1-CB 4.48Å; I177-L190 HydrophobicContact CD1-CD1 4.21Å; N186-L190 WeakPolarHBondContact O-CB 3.31Å; N186-L190 VanDerWaalsContact O-CG 3.25Å; N186-L190 WeakPolarHBondContact O-CG 3.33Å; N186-L190 PolarHBondContact O-N 2.93Å; I187-L190 WeakPolarHBondContact O-CB 3.47Å; I187-L190 PolarHBondContact O-N 3.18Å; I187-L190 VanDerWaalsContact O-N 3.09Å; L190-G192 PolarHBondContact O-N 2.88Å; L190-Y193 PolarHBondContact O-N 2.91Å; L190-L194 VanDerWaalsContact O-CB 3.3Å; L190-L194 WeakPolarHBondContact O-CB 3.36Å; L190-L194 WeakPolarHBondContact O-CG 3.36Å; L190-L194 PolarHBondContact O-N 3.5Å |
| 191 | L | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.2 | -45.6 | 179.1 | -65.7 | 179.4 | 0 | 0 | 0 | 111.5 | I177 I187 F189 L194 K195 I208 F218 F222 V435 | I177-L191 HydrophobicContact CB-CD2 4.45Å; I177-L191 HydrophobicContact CG1-CD2 4.22Å; I177-L191 HydrophobicContact CG2-CD2 4.26Å; I187-L191 HydrophobicContact CG2-CD1 3.98Å; I187-L191 HydrophobicContact CG2-CG 4.24Å; I187-L191 WeakPolarHBondContact O-CG 3.35Å; I187-L191 PolarHBondContact O-N 3.09Å; F189-L191 VanDerWaalsContact C-N 3.32Å; F189-L191 PolarHBondContact O-N 2.85Å; L191-L194 PolarHBondContact O-N 2.99Å; L191-K195 PolarHBondContact O-N 2.78Å; L191-I208 HydrophobicContact CD2-CD1 3.73Å; L191-I208 HydrophobicContact CD2-CG1 4.07Å; L191-F218 HydrophobicContact CD1-CD1 3.86Å; L191-F218 HydrophobicContact CD1-CE1 3.68Å; L191-F222 HydrophobicContact CB-CE2 4.32Å; L191-F222 HydrophobicContact CB-CZ 4.16Å; L191-F222 HydrophobicContact CD2-CE2 3.94Å; L191-F222 HydrophobicContact CD2-CZ 4.03Å; L191-F222 WeakPolarHBondContact O-CZ 3.33Å; L191-V435 HydrophobicContact CB-CG2 4.17Å; L191-V435 HydrophobicContact CD1-CG2 3.69Å |
| 192 | G | 93.3 | Very high | 93 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.1 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D188 F189 L190 L194 K195 E196 P433 | D188-G192 PolarHBondContact O-N 2.8Å; F189-G192 PolarHBondContact O-N 3.31Å; L190-G192 PolarHBondContact O-N 2.88Å; G192-L194 VanDerWaalsContact C-N 3.34Å; G192-L194 PolarHBondContact O-N 2.97Å; G192-K195 WeakPolarHBondContact O-CB 3.42Å; G192-K195 PolarHBondContact O-N 2.92Å; G192-E196 PolarHBondContact O-N 2.96Å; G192-P433 WeakPolarHBondContact CA-O 3.16Å |
| 193 | Y | 93.8 | Very high | 93.3 | Very high | 15 Ų | 15 | 34.5 Ų | 34.5 | 6% | 0.059 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 178.2 | -175.5 | -91.5 | 0 | 0 | 0 | 111.3 | I163 R167 L169 F189 L190 K195 E196 L197 L424 L426 | I163-Y193 HydrophobicContact CD1-CD1 3.55Å; I163-Y193 HydrophobicContact CD1-CE1 3.82Å; I163-Y193 HydrophobicContact CD1-CG 3.95Å; I163-Y193 HydrophobicContact CG1-CD1 4.18Å; I163-Y193 HydrophobicContact CG1-CE1 3.91Å; I163-Y193 HydrophobicContact CG2-CD1 4.4Å; I163-Y193 HydrophobicContact CG2-CD2 4.2Å; I163-Y193 HydrophobicContact CG2-CE1 3.79Å; I163-Y193 HydrophobicContact CG2-CE2 3.55Å; I163-Y193 WeakPolarHBondContact CG2-OH 3.48Å; R167-Y193 WeakPolarHBondContact CA-OH 3.47Å; R167-Y193 PolarHBondContact O-OH 3.25Å; L169-Y193 HydrophobicContact CD1-CE1 4.37Å; F189-Y193 HydrophobicContact CE1-CD2 4.34Å; F189-Y193 WeakPolarHBondContact O-CB 3.49Å; F189-Y193 PolarHBondContact O-N 3.1Å; L190-Y193 PolarHBondContact O-N 2.91Å; Y193-K195 VanDerWaalsContact C-N 3.33Å; Y193-K195 PolarHBondContact O-N 2.89Å; Y193-E196 PolarHBondContact O-N 3.48Å; Y193-L197 HydrophobicContact CE1-CB 4.4Å; Y193-L197 HydrophobicContact CE1-CD2 4.09Å; Y193-L197 WeakPolarHBondContact O-CB 3.16Å; Y193-L197 PolarHBondContact O-N 3.41Å; Y193-L424 HydrophobicContact CE2-CD1 4.47Å; Y193-L426 HydrophobicContact CD2-CD1 3.77Å; Y193-L426 HydrophobicContact CD2-CD2 4.06Å; Y193-L426 HydrophobicContact CE2-CD1 4.13Å; Y193-L426 HydrophobicContact CE2-CD2 3.88Å |
| 194 | L | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 177.6 | -70.6 | 170.6 | 0 | 0 | 0 | 110.4 | L169 I175 I177 L190 L191 G192 E196 L197 L198 L204 I206 | L169-L194 HydrophobicContact CD1-CD2 3.92Å; I175-L194 HydrophobicContact CD1-CD2 3.87Å; I175-L194 HydrophobicContact CG2-CD1 4.43Å; I177-L194 HydrophobicContact CD1-CD1 4.15Å; I177-L194 HydrophobicContact CG1-CD1 4.1Å; L190-L194 VanDerWaalsContact O-CB 3.3Å; L190-L194 WeakPolarHBondContact O-CB 3.36Å; L190-L194 WeakPolarHBondContact O-CG 3.36Å; L190-L194 PolarHBondContact O-N 3.5Å; L191-L194 PolarHBondContact O-N 2.99Å; G192-L194 VanDerWaalsContact C-N 3.34Å; G192-L194 PolarHBondContact O-N 2.97Å; L194-E196 VanDerWaalsContact C-N 3.3Å; L194-E196 PolarHBondContact O-N 3.48Å; L194-L197 HydrophobicContact CD2-CD2 4.47Å; L194-L197 PolarHBondContact O-N 2.84Å; L194-L198 WeakPolarHBondContact O-CG 3.39Å; L194-L198 PolarHBondContact O-N 3.13Å; L194-L204 HydrophobicContact CD2-CD2 4.4Å; L194-I206 HydrophobicContact CD1-CD1 4.07Å; L194-I206 HydrophobicContact CD1-CG2 4.3Å; L194-I206 HydrophobicContact CD2-CD1 3.81Å; L194-I206 HydrophobicContact CG-CD1 4.37Å |
| 195 | K | 95.2 | Very high | 94 | Very high | 64 Ų | 64 | 34.2 Ų | 34.2 | 28% | 0.278 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -56.2 | -42.8 | 176 | 177.7 | 164.3 | 171.2 | 173.9 | 0 | 112.8 | L191 G192 Y193 P199 H221 F222 P433 | L191-K195 PolarHBondContact O-N 2.78Å; G192-K195 WeakPolarHBondContact O-CB 3.42Å; G192-K195 PolarHBondContact O-N 2.92Å; Y193-K195 VanDerWaalsContact C-N 3.33Å; Y193-K195 PolarHBondContact O-N 2.89Å; K195-P199 VanDerWaalsContact O-CD 3.32Å; K195-P199 WeakPolarHBondContact O-CD 3.32Å; K195-H221 VanDerWaalsContact CD-NE2 3.32Å; K195-H221 WeakPolarHBondContact CD-NE2 3.5Å; K195-H221 VanDerWaalsContact CD-O 3.27Å; K195-H221 WeakPolarHBondContact CD-O 3.5Å; K195-H221 VanDerWaalsContact CE-O 3.28Å; K195-H221 WeakPolarHBondContact CE-O 3.4Å; K195-H221 PolarHBondContact NZ-O 3.22Å; K195-F222 HydrophobicContact CB-CD1 4.37Å; K195-F222 HydrophobicContact CB-CE1 3.87Å; K195-P433 HydrophobicContact CB-CG 4.26Å; K195-P433 HydrophobicContact CD-CB 3.84Å; K195-P433 HydrophobicContact CD-CG 4.2Å; K195-P433 HydrophobicContact CG-CB 4.41Å; K195-P433 HydrophobicContact CG-CG 4.25Å |
| 196 | E | 92.5 | Very high | 94.5 | Very high | 75 Ų | 75 | 33.3 Ų | 33.3 | 35% | 0.35 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -71.3 | -31.1 | 175 | -66.5 | -167.3 | 153.5 | 0 | 0 | 113.3 | G192 Y193 L194 P433 | G192-E196 PolarHBondContact O-N 2.96Å; Y193-E196 PolarHBondContact O-N 3.48Å; L194-E196 VanDerWaalsContact C-N 3.3Å; L194-E196 PolarHBondContact O-N 3.48Å; E196-P433 HydrophobicContact CG-CG 3.79Å; E196-P433 WeakPolarHBondContact OE1-CD 3.41Å |
| 197 | L | 94.5 | Very high | 94.8 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -74.5 | -36.3 | -179.5 | -179.7 | 61.8 | 0 | 0 | 0 | 112.8 | L168 L169 Y193 L194 R200 R201 L204 | L168-L197 HydrophobicContact CD2-CD1 3.69Å; L169-L197 HydrophobicContact CB-CD2 4.11Å; L169-L197 HydrophobicContact CD1-CD2 3.88Å; L169-L197 HydrophobicContact CG-CD2 4.13Å; Y193-L197 HydrophobicContact CE1-CB 4.4Å; Y193-L197 HydrophobicContact CE1-CD2 4.09Å; Y193-L197 WeakPolarHBondContact O-CB 3.16Å; Y193-L197 PolarHBondContact O-N 3.41Å; L194-L197 HydrophobicContact CD2-CD2 4.47Å; L194-L197 PolarHBondContact O-N 2.84Å; L197-R200 CarbonylContact O-C 3.59Å; L197-R200 WeakPolarHBondContact O-CA 3.44Å; L197-R200 WeakPolarHBondContact O-CB 3.39Å; L197-R200 PolarHBondContact O-N 3.38Å; L197-R201 HydrophobicContact CD1-CB 4.48Å; L197-R201 HydrophobicContact CD1-CG 3.82Å; L197-R201 HydrophobicContact CG-CB 4.29Å; L197-R201 HydrophobicContact CG-CG 4.06Å; L197-R201 PolarHBondContact O-N 3.49Å; L197-L204 HydrophobicContact CD2-CD2 3.92Å |
| 198 | L | 96.5 | Very high | 95 | Very high | 10 Ų | 10 | 30.2 Ų | 30.2 | 5% | 0.052 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -54.6 | -43.1 | -171.2 | -75 | 167.7 | 0 | 0 | 0 | 114.6 | Q75 V76 L194 R200 R201 I206 F222 | Q75-L198 VanDerWaalsContact CD-CD2 3.46Å; Q75-L198 HydrophobicContact CG-CD2 3.88Å; Q75-L198 VanDerWaalsContact NE2-CD2 3.3Å; Q75-L198 PolarHBondContact NE2-O 3.32Å; V76-L198 HydrophobicContact CG2-CD1 3.47Å; V76-L198 VanDerWaalsContact CG2-CD1 3.47Å; L194-L198 WeakPolarHBondContact O-CG 3.39Å; L194-L198 PolarHBondContact O-N 3.13Å; L198-R200 PolarHBondContact O-N 3.4Å; L198-R201 CarbonylContact O-C 3.56Å; L198-R201 PolarHBondContact O-N 2.9Å; L198-R201 VanDerWaalsContact O-N 3.07Å; L198-I206 HydrophobicContact CD1-CG1 4.34Å; L198-I206 HydrophobicContact CD2-CD1 4.37Å; L198-I206 HydrophobicContact CD2-CG1 3.63Å; L198-I206 HydrophobicContact CG-CG1 4.4Å; L198-F222 HydrophobicContact CD1-CD1 3.78Å; L198-F222 HydrophobicContact CD1-CE1 3.89Å |
| 199 | P | 94.9 | Very high | 95.1 | Very high | 107 Ų | 107 | 30.2 Ų | 30.2 | 70% | 0.695 | 15% | 0.152 | S | C | * | . | G | 310 helix | trans | -58.4 | -29.2 | 174 | -26.5 | 35.4 | 0 | 0 | 0 | 113.8 | K195 | K195-P199 VanDerWaalsContact O-CD 3.32Å; K195-P199 WeakPolarHBondContact O-CD 3.32Å |
| 200 | R | 93.4 | Very high | 94.9 | Very high | 176 Ų | 176 | 30.1 Ų | 30.1 | 66% | 0.664 | 15% | 0.151 | S | C | * | . | G | 310 helix | trans | -89.7 | -16.6 | 178.8 | -59.9 | 174 | 63.7 | -171.2 | 2.1 | 112.9 | L197 L198 P202 | L197-R200 CarbonylContact O-C 3.59Å; L197-R200 WeakPolarHBondContact O-CA 3.44Å; L197-R200 WeakPolarHBondContact O-CB 3.39Å; L197-R200 PolarHBondContact O-N 3.38Å; L198-R200 PolarHBondContact O-N 3.4Å; R200-P202 VanDerWaalsContact C-CD 3.47Å |
| 201 | R | 95 | Very high | 94.1 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 2% | 0.023 | 16% | 0.155 | C | C | . | . | trans | -127.5 | 65.8 | 179.1 | -76.5 | -64.3 | -53 | -74.4 | -0.3 | 110.8 | Q75 L168 L169 Y172 L197 L198 D203 L204 | Q75-R201 PolarHBondContact NE2-O 2.89Å; L168-R201 PolarHBondContact O-NH1 3.33Å; L169-R201 PolarHBondContact O-NH1 3.15Å; Y172-R201 PolarHBondContact O-NH2 3.17Å; Y172-R201 VanDerWaalsContact O-NH2 3.1Å; L197-R201 HydrophobicContact CD1-CB 4.48Å; L197-R201 HydrophobicContact CD1-CG 3.82Å; L197-R201 HydrophobicContact CG-CB 4.29Å; L197-R201 HydrophobicContact CG-CG 4.06Å; L197-R201 PolarHBondContact O-N 3.49Å; L198-R201 CarbonylContact O-C 3.56Å; L198-R201 PolarHBondContact O-N 2.9Å; L198-R201 VanDerWaalsContact O-N 3.07Å; R201-D203 IonicContact CZ-OD1 3.55Å; R201-D203 IonicContact CZ-OD2 3.52Å; R201-D203 IonicContact NE-OD1 3.98Å; R201-D203 PolarHBondContact NE-OD1 3.22Å; R201-D203 IonicContact NE-OD2 2.8Å; R201-D203 PolarHBondContact NE-OD2 3.11Å; R201-D203 IonicContact NH2-OD1 2.67Å; R201-D203 IonicContact NH2-OD2 3.41Å; R201-D203 PolarHBondContact NH2-OD2 2.87Å; R201-D203 PolarHBondContact O-N 3.06Å; R201-L204 HydrophobicContact CB-CB 3.82Å; R201-L204 HydrophobicContact CB-CD2 4.37Å; R201-L204 WeakPolarHBondContact O-CB 3.37Å; R201-L204 PolarHBondContact O-N 2.87Å | ||
| 202 | P | 94.1 | Very high | 92.7 | Very high | 99 Ų | 99 | 33 Ų | 33 | 64% | 0.643 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -19.6 | 178.5 | 25.1 | -35.1 | 0 | 0 | 0 | 113.6 | Q75 R200 | Q75-P202 VanDerWaalsContact NE2-CA 3.33Å; R200-P202 VanDerWaalsContact C-CD 3.47Å |
| 203 | D | 94.2 | Very high | 91.2 | Very high | 52 Ų | 52 | 33.9 Ų | 33.9 | 28% | 0.278 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -22.7 | 177.7 | 64.6 | -62.1 | 0 | 0 | 0 | 114.5 | R100 R201 | R100-D203 PolarHBondContact NH1-O 2.98Å; R201-D203 IonicContact CZ-OD1 3.55Å; R201-D203 IonicContact CZ-OD2 3.52Å; R201-D203 IonicContact NE-OD1 3.98Å; R201-D203 PolarHBondContact NE-OD1 3.22Å; R201-D203 IonicContact NE-OD2 2.8Å; R201-D203 PolarHBondContact NE-OD2 3.11Å; R201-D203 IonicContact NH2-OD1 2.67Å; R201-D203 IonicContact NH2-OD2 3.41Å; R201-D203 PolarHBondContact NH2-OD2 2.87Å; R201-D203 PolarHBondContact O-N 3.06Å |
| 204 | L | 97.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -74.4 | 126.9 | -178.2 | 178 | 63.9 | 0 | 0 | 0 | 110.2 | Q75 I175 L194 L197 R201 I206 | Q75-L204 WeakPolarHBondContact CG-O 2.8Å; Q75-L204 PolarHBondContact NE2-O 2.6Å; I175-L204 HydrophobicContact CD1-CD1 4.18Å; I175-L204 HydrophobicContact CD1-CD2 4.34Å; I175-L204 HydrophobicContact CG1-CD1 4.2Å; L194-L204 HydrophobicContact CD2-CD2 4.4Å; L197-L204 HydrophobicContact CD2-CD2 3.92Å; R201-L204 HydrophobicContact CB-CB 3.82Å; R201-L204 HydrophobicContact CB-CD2 4.37Å; R201-L204 WeakPolarHBondContact O-CB 3.37Å; R201-L204 PolarHBondContact O-N 2.87Å; L204-I206 HydrophobicContact CD1-CD1 4.42Å; L204-I206 HydrophobicContact CD2-CD1 3.96Å; L204-I206 HydrophobicContact CG-CD1 3.87Å | ||
| 205 | K | 98.3 | Very high | 89.7 | Confident | 20 Ų | 20 | 36 Ų | 36 | 9% | 0.087 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 138.1 | 174.6 | -65.4 | -64.2 | -168.8 | 164.4 | 0 | 111.1 | I71 R72 H74 Q75 R100 D173 T174 I175 | I71-K205 WeakPolarHBondContact O-CE 3.26Å; I71-K205 PolarHBondContact O-NZ 3.44Å; R72-K205 PolarHBondContact O-NZ 2.98Å; H74-K205 VanDerWaalsContact C-NZ 3.26Å; H74-K205 WeakPolarHBondContact O-CD 3.17Å; H74-K205 PolarHBondContact O-NZ 3.26Å; Q75-K205 CarbonylContact O-C 3.59Å; Q75-K205 WeakPolarHBondContact O-CA 3.38Å; R100-K205 VanDerWaalsContact CZ-CG 3.41Å; D173-K205 PolarHBondContact O-N 3.3Å; T174-K205 CarbonylContact C-O 3.54Å; T174-K205 VanDerWaalsContact CA-O 3.27Å; T174-K205 WeakPolarHBondContact CA-O 3.49Å; T174-K205 HydrophobicContact CG2-CB 4.09Å; I175-K205 PolarHBondContact N-O 2.9Å |
| 206 | I | 98.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 131.3 | 177 | -51.1 | -60.8 | 0 | 0 | 0 | 109.5 | Q75 V76 V77 I175 L194 L198 L204 I208 | Q75-I206 PolarHBondContact O-N 2.96Å; V76-I206 CarbonylContact C-O 3.2Å; V76-I206 VanDerWaalsContact CA-O 3.27Å; V76-I206 WeakPolarHBondContact CA-O 3.21Å; V76-I206 HydrophobicContact CG1-CB 4.25Å; V76-I206 HydrophobicContact CG1-CG2 4.43Å; V76-I206 HydrophobicContact CG2-CB 4.17Å; V76-I206 HydrophobicContact CG2-CG1 4.48Å; V77-I206 PolarHBondContact N-O 3.34Å; I175-I206 HydrophobicContact CB-CD1 3.85Å; I175-I206 HydrophobicContact CD1-CD1 4.39Å; I175-I206 CarbonylContact O-C 3.53Å; I175-I206 VanDerWaalsContact O-CA 3.32Å; I175-I206 WeakPolarHBondContact O-CA 3.48Å; L194-I206 HydrophobicContact CD1-CD1 4.07Å; L194-I206 HydrophobicContact CD1-CG2 4.3Å; L194-I206 HydrophobicContact CD2-CD1 3.81Å; L194-I206 HydrophobicContact CG-CD1 4.37Å; L198-I206 HydrophobicContact CD1-CG1 4.34Å; L198-I206 HydrophobicContact CD2-CD1 4.37Å; L198-I206 HydrophobicContact CD2-CG1 3.63Å; L198-I206 HydrophobicContact CG-CG1 4.4Å; L204-I206 HydrophobicContact CD1-CD1 4.42Å; L204-I206 HydrophobicContact CD2-CD1 3.96Å; L204-I206 HydrophobicContact CG-CD1 3.87Å; I206-I208 HydrophobicContact CG2-CD1 4.45Å; I206-I208 HydrophobicContact CG2-CG1 4.04Å |
| 207 | I | 98.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.6 | 173.3 | -56.7 | 168.7 | 0 | 0 | 0 | 107.3 | I71 V77 V79 L91 C95 T174 I175 I176 I177 | I71-I207 HydrophobicContact CD1-CD1 3.44Å; I71-I207 VanDerWaalsContact CD1-CD1 3.44Å; I71-I207 HydrophobicContact CD1-CG1 4.29Å; I71-I207 HydrophobicContact CG1-CD1 3.79Å; I71-I207 HydrophobicContact CG1-CG1 4.15Å; I71-I207 HydrophobicContact CG2-CD1 4.36Å; V77-I207 WeakPolarHBondContact O-CA 3.34Å; V79-I207 HydrophobicContact CG2-CG2 3.98Å; L91-I207 HydrophobicContact CD1-CG2 4.18Å; C95-I207 WeakPolarHBondContact SG-CD1 3.45Å; T174-I207 HydrophobicContact CG2-CD1 4.3Å; I175-I207 PolarHBondContact O-N 2.94Å; I176-I207 CarbonylContact C-O 3.56Å; I176-I207 VanDerWaalsContact CA-O 3.27Å; I176-I207 WeakPolarHBondContact CA-O 3.19Å; I176-I207 HydrophobicContact CG1-CB 4.17Å; I176-I207 HydrophobicContact CG1-CD1 4.16Å; I176-I207 HydrophobicContact CG2-CB 4.35Å; I176-I207 HydrophobicContact CG2-CG2 4.45Å; I177-I207 PolarHBondContact N-O 3.3Å |
| 208 | I | 96.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.2 | 179.6 | -58.8 | 168.1 | 0 | 0 | 0 | 107.3 | V76 V77 I78 V79 A180 L191 I206 F218 F222 | V76-I208 HydrophobicContact CG1-CD1 4.24Å; V77-I208 PolarHBondContact O-N 2.91Å; I78-I208 CarbonylContact C-O 3.59Å; I78-I208 WeakPolarHBondContact CA-O 3.38Å; I78-I208 HydrophobicContact CG1-CB 4.22Å; I78-I208 HydrophobicContact CG1-CD1 4.5Å; V79-I208 PolarHBondContact N-O 2.87Å; A180-I208 HydrophobicContact CB-CG2 3.58Å; L191-I208 HydrophobicContact CD2-CD1 3.73Å; L191-I208 HydrophobicContact CD2-CG1 4.07Å; I206-I208 HydrophobicContact CG2-CD1 4.45Å; I206-I208 HydrophobicContact CG2-CG1 4.04Å; I208-F218 HydrophobicContact CG2-CD1 4.47Å; I208-F218 HydrophobicContact CG2-CD2 4.34Å; I208-F218 HydrophobicContact CG2-CG 4.2Å; I208-F222 HydrophobicContact CD1-CD2 3.5Å; I208-F222 VanDerWaalsContact CD1-CD2 3.5Å; I208-F222 HydrophobicContact CD1-CE2 3.2Å; I208-F222 HydrophobicContact CD1-CZ 4.01Å |
| 209 | T | 93.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 145 | 177.5 | 87.6 | 0 | 0 | 0 | 0 | 111.2 | V79 L91 I176 I177 D178 E179 A180 | V79-T209 WeakPolarHBondContact O-CA 3.41Å; L91-T209 HydrophobicContact CD1-CG2 3.42Å; L91-T209 VanDerWaalsContact CD1-CG2 3.42Å; I176-T209 HydrophobicContact CG2-CG2 4.14Å; I177-T209 PolarHBondContact O-N 3.24Å; D178-T209 WeakPolarHBondContact CA-OG1 3.35Å; D178-T209 VanDerWaalsContact OD1-CB 3.28Å; D178-T209 WeakPolarHBondContact OD1-CB 3.38Å; D178-T209 WeakPolarHBondContact OD1-CG2 3.33Å; D178-T209 PolarHBondContact OD1-OG1 3.29Å; E179-T209 PolarHBondContact N-OG1 3.4Å; E179-T209 VanDerWaalsContact N-OG1 3.09Å; A180-T209 VanDerWaalsContact CB-O 3.24Å; A180-T209 WeakPolarHBondContact CB-O 3.47Å; A180-T209 PolarHBondContact N-O 3.19Å |
| 210 | S | 87.6 | Confident | 89.1 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 144.1 | 176.3 | 179 | 0 | 0 | 0 | 0 | 110.2 | V79 A80 G81 I213 | V79-S210 PolarHBondContact O-N 3.41Å; V79-S210 VanDerWaalsContact O-N 3.16Å; A80-S210 WeakPolarHBondContact CA-O 3.14Å; G81-S210 PolarHBondContact N-O 2.9Å; S210-I213 PolarHBondContact OG-N 2.72Å; S210-I213 PolarHBondContact OG-O 3.12Å |
| 211 | A | 78.2 | Confident | 89.1 | Confident | 10 Ų | 10 | 32.9 Ų | 32.9 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -91 | -44.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G81 T83 H181 | G81-A211 VanDerWaalsContact O-CA 3.31Å; G81-A211 WeakPolarHBondContact O-CA 3.44Å; T83-A211 HydrophobicContact CG2-CB 3.82Å; H181-A211 PolarHBondContact ND1-N 3.03Å |
| 212 | T | 65.1 | Low | 89.1 | Confident | 51 Ų | 51 | 33.1 Ų | 33.1 | 31% | 0.313 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -147.1 | -0.2 | -170.2 | 60.8 | 0 | 0 | 0 | 0 | 114.1 | Q376 | T212-Q376 HydrophobicContact CG2-CG 3.73Å; T212-Q376 PolarHBondContact OG1-NE2 3.36Å |
| 213 | I | 62.2 | Low | 89.1 | Confident | 18 Ų | 18 | 34.9 Ų | 34.9 | 9% | 0.092 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -87.8 | 144.3 | 177.6 | -75.9 | -164.6 | 0 | 0 | 0 | 110.5 | H181 R183 S210 P215 F218 F404 | H181-I213 HydrophobicContact CB-CB 4.09Å; H181-I213 HydrophobicContact CB-CD1 3.97Å; H181-I213 HydrophobicContact CB-CG1 3.73Å; H181-I213 WeakPolarHBondContact O-CD1 3.37Å; R183-I213 HydrophobicContact CG-CD1 3.56Å; S210-I213 PolarHBondContact OG-N 2.72Å; S210-I213 PolarHBondContact OG-O 3.12Å; I213-P215 WeakPolarHBondContact O-CD 3.46Å; I213-F218 HydrophobicContact CB-CE2 4.37Å; I213-F218 HydrophobicContact CG2-CE2 3.74Å; I213-F218 HydrophobicContact CG2-CZ 4.18Å; I213-F404 HydrophobicContact CG1-CD1 4.02Å; I213-F404 HydrophobicContact CG1-CE1 4.12Å |
| 214 | D | 74.2 | Confident | 89.1 | Confident | 38 Ų | 38 | 38.2 Ų | 38.2 | 20% | 0.203 | 19% | 0.186 | C | C | . | . | trans | -27.4 | 88.5 | 158.5 | -176.2 | -6.6 | 0 | 0 | 0 | 112.3 | E216 R217 F404 | D214-E216 PolarHBondContact O-N 3.18Å; D214-E216 VanDerWaalsContact OD1-CA 3.3Å; D214-E216 WeakPolarHBondContact OD1-CA 3.21Å; D214-E216 WeakPolarHBondContact OD1-CB 3.41Å; D214-E216 WeakPolarHBondContact OD1-CG 3.2Å; D214-E216 PolarHBondContact OD1-N 3.17Å; D214-R217 HydrophobicContact CB-CG 4.39Å; D214-R217 PolarHBondContact O-N 3.08Å; D214-R217 PolarHBondContact OD1-N 3.02Å; D214-R217 VanDerWaalsContact OD1-N 3.07Å; D214-R217 WeakPolarHBondContact OD2-CD 3.49Å; D214-R217 VanDerWaalsContact OD2-CG 3.24Å; D214-R217 WeakPolarHBondContact OD2-CG 3.4Å; D214-R217 IonicContact OD2-NE 3.19Å; D214-R217 PolarHBondContact OD2-NE 3.26Å; D214-F404 HydrophobicContact CB-CZ 4.43Å | ||
| 215 | P | 84.3 | Confident | 89 | Confident | 22 Ų | 22 | 38.6 Ų | 38.6 | 14% | 0.143 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.3 | -17.6 | 178 | 29.4 | -31.5 | 0 | 0 | 0 | 110.7 | I78 A80 I213 F218 S219 I227 | I78-P215 HydrophobicContact CG2-CB 3.81Å; A80-P215 HydrophobicContact CB-CB 3.92Å; A80-P215 HydrophobicContact CB-CG 4.04Å; I213-P215 WeakPolarHBondContact O-CD 3.46Å; P215-F218 PolarHBondContact O-N 3.44Å; P215-S219 WeakPolarHBondContact O-CB 3.4Å; P215-S219 PolarHBondContact O-N 3.43Å; P215-I227 HydrophobicContact CB-CD1 4.01Å; P215-I227 HydrophobicContact CB-CG1 4.25Å; P215-I227 HydrophobicContact CB-CG2 3.77Å; P215-I227 HydrophobicContact CG-CD1 4.18Å; P215-I227 HydrophobicContact CG-CG2 3.96Å |
| 216 | E | 89 | Confident | 88.9 | Confident | 97 Ų | 97 | 39.3 Ų | 39.3 | 45% | 0.453 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.7 | -36.6 | 175.7 | -42.8 | -173.4 | 166.8 | 0 | 0 | 111.6 | D214 F218 S219 R220 I227 | D214-E216 PolarHBondContact O-N 3.18Å; D214-E216 VanDerWaalsContact OD1-CA 3.3Å; D214-E216 WeakPolarHBondContact OD1-CA 3.21Å; D214-E216 WeakPolarHBondContact OD1-CB 3.41Å; D214-E216 WeakPolarHBondContact OD1-CG 3.2Å; D214-E216 PolarHBondContact OD1-N 3.17Å; E216-F218 VanDerWaalsContact C-N 3.33Å; E216-F218 PolarHBondContact O-N 3.27Å; E216-S219 WeakPolarHBondContact O-CB 3.49Å; E216-S219 PolarHBondContact O-N 3.29Å; E216-S219 VanDerWaalsContact O-N 3.12Å; E216-R220 WeakPolarHBondContact O-CB 3.37Å; E216-R220 WeakPolarHBondContact O-CG 3.36Å; E216-R220 PolarHBondContact O-N 3.44Å; E216-R220 IonicContact OE2-CZ 3.3Å; E216-R220 IonicContact OE2-NE 3.39Å; E216-R220 IonicContact OE2-NH2 2.69Å; E216-R220 PolarHBondContact OE2-NH2 2.85Å; E216-I227 HydrophobicContact CG-CD1 4.34Å |
| 217 | R | 89.6 | Confident | 88.7 | Confident | 100 Ų | 100 | 42 Ų | 42 | 38% | 0.377 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.4 | -47.3 | 173.3 | -86 | 171.5 | -164.7 | -141.3 | 8.7 | 111.7 | D214 S219 H221 E436 | D214-R217 HydrophobicContact CB-CG 4.39Å; D214-R217 PolarHBondContact O-N 3.08Å; D214-R217 PolarHBondContact OD1-N 3.02Å; D214-R217 VanDerWaalsContact OD1-N 3.07Å; D214-R217 WeakPolarHBondContact OD2-CD 3.49Å; D214-R217 VanDerWaalsContact OD2-CG 3.24Å; D214-R217 WeakPolarHBondContact OD2-CG 3.4Å; D214-R217 IonicContact OD2-NE 3.19Å; D214-R217 PolarHBondContact OD2-NE 3.26Å; R217-S219 VanDerWaalsContact C-N 3.31Å; R217-H221 VanDerWaalsContact O-CB 3.28Å; R217-H221 WeakPolarHBondContact O-CB 3.2Å; R217-H221 PolarHBondContact O-N 3.25Å; R217-E436 IonicContact NH1-OE2 3.87Å; R217-E436 PolarHBondContact NH1-OE2 3.13Å |
| 218 | F | 92.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.2 | -38.7 | 175.9 | -60.2 | -55.8 | 0 | 0 | 0 | 111 | I78 A180 L191 I208 I213 P215 E216 H221 F222 V435 | I78-F218 VanDerWaalsContact CD1-C 3.41Å; I78-F218 HydrophobicContact CD1-CB 3.79Å; I78-F218 HydrophobicContact CG1-CB 4.08Å; A180-F218 HydrophobicContact CB-CE1 4.25Å; A180-F218 HydrophobicContact CB-CE2 4.13Å; A180-F218 HydrophobicContact CB-CZ 3.79Å; A180-F218 WeakPolarHBondContact O-CZ 3.34Å; L191-F218 HydrophobicContact CD1-CD1 3.86Å; L191-F218 HydrophobicContact CD1-CE1 3.68Å; I208-F218 HydrophobicContact CG2-CD1 4.47Å; I208-F218 HydrophobicContact CG2-CD2 4.34Å; I208-F218 HydrophobicContact CG2-CG 4.2Å; I213-F218 HydrophobicContact CB-CE2 4.37Å; I213-F218 HydrophobicContact CG2-CE2 3.74Å; I213-F218 HydrophobicContact CG2-CZ 4.18Å; P215-F218 PolarHBondContact O-N 3.44Å; E216-F218 VanDerWaalsContact C-N 3.33Å; E216-F218 PolarHBondContact O-N 3.27Å; F218-H221 WeakPolarHBondContact O-CB 3.28Å; F218-H221 PolarHBondContact O-N 3.3Å; F218-F222 WeakPolarHBondContact O-CD2 2.98Å; F218-F222 PolarHBondContact O-N 3.38Å; F218-V435 HydrophobicContact CD1-CG2 4.39Å; F218-V435 HydrophobicContact CE1-CG2 4.46Å |
| 219 | S | 94 | Very high | 88.1 | Confident | 13 Ų | 13 | 49 Ų | 49 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.7 | -54.2 | 179.5 | 179 | 0 | 0 | 0 | 0 | 111.1 | P215 E216 R217 H221 F222 N223 N224 A225 | P215-S219 WeakPolarHBondContact O-CB 3.4Å; P215-S219 PolarHBondContact O-N 3.43Å; E216-S219 WeakPolarHBondContact O-CB 3.49Å; E216-S219 PolarHBondContact O-N 3.29Å; E216-S219 VanDerWaalsContact O-N 3.12Å; R217-S219 VanDerWaalsContact C-N 3.31Å; S219-H221 PolarHBondContact O-N 3.3Å; S219-F222 CarbonylContact O-C 3.56Å; S219-F222 VanDerWaalsContact O-C 3.24Å; S219-F222 PolarHBondContact O-N 3.41Å; S219-N223 PolarHBondContact O-N 2.9Å; S219-N224 WeakPolarHBondContact O-CA 3.38Å; S219-N224 PolarHBondContact O-N 3.16Å; S219-N224 VanDerWaalsContact OG-C 3.23Å; S219-N224 VanDerWaalsContact OG-CA 3.31Å; S219-N224 WeakPolarHBondContact OG-CA 3.17Å; S219-A225 WeakPolarHBondContact CB-O 3.23Å; S219-A225 PolarHBondContact O-N 2.94Å; S219-A225 PolarHBondContact OG-N 3.31Å; S219-A225 PolarHBondContact OG-O 2.8Å |
| 220 | R | 94.4 | Very high | 87.7 | Confident | 148 Ų | 148 | 49 Ų | 49 | 56% | 0.558 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -56 | -40.9 | 175 | -67.8 | 172.3 | -163.7 | 178.2 | 6.8 | 111.2 | E216 F222 N223 | E216-R220 WeakPolarHBondContact O-CB 3.37Å; E216-R220 WeakPolarHBondContact O-CG 3.36Å; E216-R220 PolarHBondContact O-N 3.44Å; E216-R220 IonicContact OE2-CZ 3.3Å; E216-R220 IonicContact OE2-NE 3.39Å; E216-R220 IonicContact OE2-NH2 2.69Å; E216-R220 PolarHBondContact OE2-NH2 2.85Å; R220-F222 VanDerWaalsContact C-N 3.31Å; R220-F222 PolarHBondContact O-N 2.99Å; R220-N223 PolarHBondContact O-N 3.44Å |
| 221 | H | 94.3 | Very high | 86.9 | Confident | 14 Ų | 14 | 53.5 Ų | 53.5 | 7% | 0.065 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.2 | -43.6 | 176.7 | -170.3 | 79.6 | 0 | 0 | 0 | 111.9 | K195 R217 F218 S219 N223 P433 F434 V435 | K195-H221 VanDerWaalsContact CD-NE2 3.32Å; K195-H221 WeakPolarHBondContact CD-NE2 3.5Å; K195-H221 VanDerWaalsContact CD-O 3.27Å; K195-H221 WeakPolarHBondContact CD-O 3.5Å; K195-H221 VanDerWaalsContact CE-O 3.28Å; K195-H221 WeakPolarHBondContact CE-O 3.4Å; K195-H221 PolarHBondContact NZ-O 3.22Å; R217-H221 VanDerWaalsContact O-CB 3.28Å; R217-H221 WeakPolarHBondContact O-CB 3.2Å; R217-H221 PolarHBondContact O-N 3.25Å; F218-H221 WeakPolarHBondContact O-CB 3.28Å; F218-H221 PolarHBondContact O-N 3.3Å; S219-H221 PolarHBondContact O-N 3.3Å; H221-N223 PolarHBondContact O-N 3.43Å; H221-P433 PolarHBondContact CE1-O 3.28Å; H221-P433 PolarHBondContact NE2-O 2.9Å; H221-F434 PolarHBondContact CE1-O 2.93Å; H221-V435 HydrophobicContact CB-CG2 4.49Å |
| 222 | F | 95.8 | Very high | 86.1 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 5% | 0.048 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 42.4 | 178.1 | -68.2 | -81.2 | 0 | 0 | 0 | 113.3 | V76 L191 K195 L198 I208 F218 S219 R220 A225 | V76-F222 HydrophobicContact CB-CB 4.18Å; V76-F222 HydrophobicContact CB-CG 4.47Å; V76-F222 HydrophobicContact CG1-CB 3.84Å; V76-F222 HydrophobicContact CG1-CD1 4.22Å; V76-F222 HydrophobicContact CG1-CD2 4.2Å; V76-F222 HydrophobicContact CG1-CG 3.83Å; V76-F222 HydrophobicContact CG2-CB 4.24Å; V76-F222 HydrophobicContact CG2-CD1 3.95Å; V76-F222 HydrophobicContact CG2-CG 4.27Å; L191-F222 HydrophobicContact CB-CE2 4.32Å; L191-F222 HydrophobicContact CB-CZ 4.16Å; L191-F222 HydrophobicContact CD2-CE2 3.94Å; L191-F222 HydrophobicContact CD2-CZ 4.03Å; L191-F222 WeakPolarHBondContact O-CZ 3.33Å; K195-F222 HydrophobicContact CB-CD1 4.37Å; K195-F222 HydrophobicContact CB-CE1 3.87Å; L198-F222 HydrophobicContact CD1-CD1 3.78Å; L198-F222 HydrophobicContact CD1-CE1 3.89Å; I208-F222 HydrophobicContact CD1-CD2 3.5Å; I208-F222 VanDerWaalsContact CD1-CD2 3.5Å; I208-F222 HydrophobicContact CD1-CE2 3.2Å; I208-F222 HydrophobicContact CD1-CZ 4.01Å; F218-F222 WeakPolarHBondContact O-CD2 2.98Å; F218-F222 PolarHBondContact O-N 3.38Å; S219-F222 CarbonylContact O-C 3.56Å; S219-F222 VanDerWaalsContact O-C 3.24Å; S219-F222 PolarHBondContact O-N 3.41Å; R220-F222 VanDerWaalsContact C-N 3.31Å; R220-F222 PolarHBondContact O-N 2.99Å; F222-A225 HydrophobicContact CB-CB 3.99Å; F222-A225 PolarHBondContact O-N 3.38Å |
| 223 | N | 93.4 | Very high | 85.9 | Confident | 136 Ų | 136 | 60.6 Ų | 60.6 | 73% | 0.727 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 46.9 | 173.7 | -50.6 | -44.3 | 0 | 0 | 0 | 113.9 | S219 R220 H221 | S219-N223 PolarHBondContact O-N 2.9Å; R220-N223 PolarHBondContact O-N 3.44Å; H221-N223 PolarHBondContact O-N 3.43Å |
| 224 | N | 93.3 | Very high | 86 | Confident | 122 Ų | 122 | 62.5 Ų | 62.5 | 65% | 0.652 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 59.7 | 45.8 | -176.9 | -55.7 | -39.1 | 0 | 0 | 0 | 113 | S219 | S219-N224 WeakPolarHBondContact O-CA 3.38Å; S219-N224 PolarHBondContact O-N 3.16Å; S219-N224 VanDerWaalsContact OG-C 3.23Å; S219-N224 VanDerWaalsContact OG-CA 3.31Å; S219-N224 WeakPolarHBondContact OG-CA 3.17Å |
| 225 | A | 94.9 | Very high | 86.2 | Confident | 7 Ų | 7 | 66.1 Ų | 66.1 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 141.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V76 I78 S219 F222 I227 | V76-A225 HydrophobicContact CB-CB 3.94Å; V76-A225 HydrophobicContact CG1-CB 3.96Å; I78-A225 HydrophobicContact CD1-CB 4.06Å; S219-A225 WeakPolarHBondContact CB-O 3.23Å; S219-A225 PolarHBondContact O-N 2.94Å; S219-A225 PolarHBondContact OG-N 3.31Å; S219-A225 PolarHBondContact OG-O 2.8Å; F222-A225 HydrophobicContact CB-CB 3.99Å; F222-A225 PolarHBondContact O-N 3.38Å; A225-I227 PolarHBondContact O-N 3.19Å |
| 226 | P | 96.4 | Very high | 86.2 | Confident | 36 Ų | 36 | 69.9 Ų | 69.9 | 23% | 0.234 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 137.2 | -177.7 | 26.9 | -37.8 | 0 | 0 | 0 | 111.6 | H74 V76 V77 I78 | H74-P226 HydrophobicContact CB-CG 3.89Å; V76-P226 WeakPolarHBondContact O-CD 3.27Å; V77-P226 HydrophobicContact CG2-CG 4.26Å; I78-P226 PolarHBondContact N-O 3.01Å |
| 227 | I | 94.1 | Very high | 86.2 | Confident | 58 Ų | 58 | 67 Ų | 67 | 30% | 0.297 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.2 | 175.2 | -57.5 | 164.8 | 0 | 0 | 0 | 107.8 | I78 A80 P215 E216 A225 E229 | I78-I227 HydrophobicContact CB-CG1 4.2Å; I78-I227 HydrophobicContact CD1-CG1 4.25Å; I78-I227 HydrophobicContact CG2-CG1 4.39Å; I78-I227 HydrophobicContact CG2-CG2 4.45Å; I78-I227 CarbonylContact O-C 3.58Å; I78-I227 WeakPolarHBondContact O-CA 3.32Å; A80-I227 HydrophobicContact CB-CG2 4.25Å; P215-I227 HydrophobicContact CB-CD1 4.01Å; P215-I227 HydrophobicContact CB-CG1 4.25Å; P215-I227 HydrophobicContact CB-CG2 3.77Å; P215-I227 HydrophobicContact CG-CD1 4.18Å; P215-I227 HydrophobicContact CG-CG2 3.96Å; E216-I227 HydrophobicContact CG-CD1 4.34Å; A225-I227 PolarHBondContact O-N 3.19Å; I227-E229 HydrophobicContact CG2-CG 4.22Å |
| 228 | I | 92.9 | Very high | 86.5 | Confident | 18 Ų | 18 | 66.9 Ų | 66.9 | 9% | 0.092 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 111.1 | 170 | -60.8 | 167.9 | 0 | 0 | 0 | 107.8 | K63 I67 A70 V77 I78 V79 A80 V230 | K63-I228 HydrophobicContact CD-CG2 4.36Å; I67-I228 HydrophobicContact CB-CD1 4.32Å; I67-I228 HydrophobicContact CG1-CD1 4Å; I67-I228 HydrophobicContact CG1-CG2 3.95Å; A70-I228 HydrophobicContact CB-CD1 3.27Å; A70-I228 HydrophobicContact CB-CG1 4.27Å; V77-I228 HydrophobicContact CG1-CD1 3.89Å; V77-I228 HydrophobicContact CG1-CG1 4.43Å; I78-I228 PolarHBondContact O-N 2.91Å; V79-I228 WeakPolarHBondContact CA-O 3.48Å; A80-I228 PolarHBondContact N-O 3.04Å; I228-V230 HydrophobicContact CG2-CG2 4.21Å |
| 229 | E | 89.5 | Confident | 86.8 | Confident | 128 Ų | 128 | 69.1 Ų | 69.1 | 60% | 0.598 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 123.3 | 173.3 | -66.6 | -175.2 | 174.9 | 0 | 0 | 110.2 | K63 A80 I227 | K63-E229 WeakPolarHBondContact CD-O 3.5Å; K63-E229 WeakPolarHBondContact CE-O 2.99Å; K63-E229 PolarHBondContact NZ-O 3.27Å; A80-E229 HydrophobicContact CB-CG 4.42Å; A80-E229 CarbonylContact O-C 3.5Å; A80-E229 WeakPolarHBondContact O-CA 3.31Å; I227-E229 HydrophobicContact CG2-CG 4.22Å |
| 230 | V | 84.7 | Confident | 87 | Confident | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.012 | 36% | 0.356 | C | S | . | . | trans | -111.2 | 89.1 | 174.3 | -170.1 | 0 | 0 | 0 | 0 | 107.4 | P59 V60 K63 I67 V79 A80 G81 I228 G232 | P59-V230 VanDerWaalsContact C-CG1 3.45Å; P59-V230 HydrophobicContact CB-CG1 3.59Å; V60-V230 HydrophobicContact CB-CG1 4.41Å; V60-V230 HydrophobicContact CG2-CB 4.22Å; V60-V230 HydrophobicContact CG2-CG1 3.7Å; V60-V230 HydrophobicContact CG2-CG2 4.18Å; K63-V230 HydrophobicContact CD-CG2 4.37Å; I67-V230 HydrophobicContact CD1-CG2 4.14Å; V79-V230 HydrophobicContact CG1-CG2 3.87Å; A80-V230 PolarHBondContact O-N 3.32Å; G81-V230 VanDerWaalsContact CA-O 3.29Å; G81-V230 WeakPolarHBondContact CA-O 3.48Å; I228-V230 HydrophobicContact CG2-CG2 4.21Å; V230-G232 PolarHBondContact O-N 3.35Å | ||
| 231 | S | 71.1 | Confident | 87.1 | Confident | 94 Ų | 94 | 65.2 Ų | 65.2 | 66% | 0.657 | 34% | 0.338 | S | S | * | . | trans | -59.3 | 119.7 | 173.9 | 52.3 | 0 | 0 | 0 | 0 | 109.6 | P59 | P59-S231 WeakPolarHBondContact CB-O 3.28Š| ||
| 232 | G | 62.9 | Low | 87.2 | Confident | 23 Ų | 23 | 69.5 Ų | 69.5 | 24% | 0.237 | 35% | 0.354 | C | S | . | . | trans | -63.6 | 150.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | V230 T234 | V230-G232 PolarHBondContact O-N 3.35Å; G232-T234 VanDerWaalsContact C-N 3.27Å; G232-T234 PolarHBondContact O-N 3.4Å | ||
| 233 | R | 59.2 | Low | 86.9 | Confident | 187 Ų | 187 | 72.1 Ų | 72.1 | 71% | 0.706 | 37% | 0.373 | S | S | * | . | trans | -88.3 | 75.7 | 151.9 | -67.5 | -173.2 | -170.8 | -164.7 | 3.2 | 106.8 | ||||
| 234 | T | 65.6 | Low | 86.4 | Confident | 58 Ų | 58 | 68 Ų | 68 | 36% | 0.356 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 135.8 | 162.8 | 40.2 | 0 | 0 | 0 | 0 | 107.3 | E82 G232 | E82-T234 WeakPolarHBondContact OE2-CG2 3.3Å; E82-T234 PolarHBondContact OE2-OG1 2.84Å; G232-T234 VanDerWaalsContact C-N 3.27Å; G232-T234 PolarHBondContact O-N 3.4Å |
| 235 | Y | 77.8 | Confident | 85.3 | Confident | 115 Ų | 115 | 67 Ų | 67 | 45% | 0.451 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 147.9 | 167.3 | -70.8 | -96.3 | 0 | 0 | 0 | 108.1 | V237 G382 V384 S385 E386 | Y235-V237 PolarHBondContact O-N 3.31Å; Y235-G382 PolarHBondContact N-O 2.81Å; Y235-V384 VanDerWaalsContact CE2-C 3.47Å; Y235-V384 WeakPolarHBondContact CE2-O 3.22Å; Y235-S385 WeakPolarHBondContact CB-O 3.46Å; Y235-S385 VanDerWaalsContact CG-C 3.4Å; Y235-E386 VanDerWaalsContact CB-N 3.31Å |
| 236 | P | 85.1 | Confident | 83.6 | Confident | 101 Ų | 101 | 74.6 Ų | 74.6 | 66% | 0.656 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 135.7 | -178.9 | 23.8 | -33.7 | 0 | 0 | 0 | 110.4 | E386 G387 | P236-E386 HydrophobicContact CG-CB 4.42Å; P236-E386 WeakPolarHBondContact O-CA 3.4Å; P236-G387 PolarHBondContact O-N 2.99Å |
| 237 | V | 89.2 | Confident | 81.4 | Confident | 35 Ų | 35 | 81.4 Ų | 81.4 | 21% | 0.212 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 114.4 | 172.8 | 178 | 0 | 0 | 0 | 0 | 108.2 | Y235 K378 C381 G387 C389 | Y235-V237 PolarHBondContact O-N 3.31Å; V237-K378 HydrophobicContact CB-CD 4.49Å; V237-K378 HydrophobicContact CB-CG 4.17Å; V237-K378 HydrophobicContact CG1-CD 4.22Å; V237-K378 HydrophobicContact CG1-CG 3.6Å; V237-C381 WeakPolarHBondContact CG1-SG 3.42Å; V237-G387 VanDerWaalsContact CA-O 3.3Å; V237-G387 WeakPolarHBondContact CA-O 3.27Å; V237-C389 HydrophobicContact CG1-CB 3.76Å |
| 238 | E | 96.1 | Very high | 79.3 | Confident | 99 Ų | 99 | 81.3 Ų | 81.3 | 46% | 0.463 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 131.3 | 170 | -168.3 | -169 | 153.2 | 0 | 0 | 109 | R240 G387 I388 C389 | E238-R240 VanDerWaalsContact CD-NE 3.29Å; E238-R240 HydrophobicContact CG-CG 4.39Å; E238-R240 WeakPolarHBondContact OE1-CG 3.42Å; E238-R240 IonicContact OE1-CZ 3.54Å; E238-R240 IonicContact OE1-NE 2.76Å; E238-R240 PolarHBondContact OE1-NE 2.9Å; E238-R240 IonicContact OE1-NH2 3.34Å; E238-R240 PolarHBondContact OE1-NH2 3.48Å; E238-R240 IonicContact OE2-CZ 3.3Å; E238-R240 IonicContact OE2-NE 3.05Å; E238-R240 IonicContact OE2-NH2 3.35Å; E238-R240 PolarHBondContact OE2-NH2 3.28Å; E238-G387 PolarHBondContact N-O 3.38Å; E238-I388 HydrophobicContact CB-CG1 4.19Å; E238-I388 CarbonylContact O-C 3.59Å; E238-I388 WeakPolarHBondContact O-CA 3.44Å; E238-C389 PolarHBondContact O-N 3.46Å |
| 239 | V | 97.2 | Very high | 77.4 | Confident | 47 Ų | 47 | 89 Ų | 89 | 29% | 0.285 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 123.3 | 176.2 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | Y241 K378 C389 R391 | V239-Y241 HydrophobicContact CG1-CD2 4.39Å; V239-Y241 HydrophobicContact CG1-CE1 4.38Å; V239-Y241 HydrophobicContact CG1-CE2 3.88Å; V239-K378 HydrophobicContact CG2-CD 3.44Å; V239-K378 VanDerWaalsContact CG2-CD 3.44Å; V239-K378 HydrophobicContact CG2-CG 4.2Å; V239-C389 WeakPolarHBondContact CA-O 3.36Å; V239-R391 HydrophobicContact CG1-CG 4.4Å |
| 240 | R | 98 | Very high | 75.9 | Confident | 30 Ų | 30 | 86.4 Ų | 86.4 | 11% | 0.113 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.5 | 177.2 | -59.2 | -177.4 | -177 | 168 | 5.4 | 109.1 | E238 E265 E269 I388 C389 I390 R391 | E238-R240 VanDerWaalsContact CD-NE 3.29Å; E238-R240 HydrophobicContact CG-CG 4.39Å; E238-R240 WeakPolarHBondContact OE1-CG 3.42Å; E238-R240 IonicContact OE1-CZ 3.54Å; E238-R240 IonicContact OE1-NE 2.76Å; E238-R240 PolarHBondContact OE1-NE 2.9Å; E238-R240 IonicContact OE1-NH2 3.34Å; E238-R240 PolarHBondContact OE1-NH2 3.48Å; E238-R240 IonicContact OE2-CZ 3.3Å; E238-R240 IonicContact OE2-NE 3.05Å; E238-R240 IonicContact OE2-NH2 3.35Å; E238-R240 PolarHBondContact OE2-NH2 3.28Å; R240-E265 WeakPolarHBondContact CD-OE1 3.41Å; R240-E265 IonicContact CZ-OE1 3.02Å; R240-E265 IonicContact NE-OE1 3.48Å; R240-E265 IonicContact NH1-OE1 3.03Å; R240-E265 PolarHBondContact NH1-OE1 3.39Å; R240-E269 IonicContact CZ-OE1 3.15Å; R240-E269 IonicContact NH1-OE1 2.68Å; R240-E269 PolarHBondContact NH1-OE1 3.49Å; R240-E269 IonicContact NH2-OE1 3.32Å; R240-E269 PolarHBondContact NH2-OE1 3.09Å; R240-I388 HydrophobicContact CG-CG2 4.08Å; R240-I388 VanDerWaalsContact NH2-CD1 3.35Å; R240-C389 PolarHBondContact N-O 3.4Å; R240-I390 HydrophobicContact CB-CG1 4.28Å; R240-I390 CarbonylContact O-C 3.58Å; R240-I390 WeakPolarHBondContact O-CA 3.42Å; R240-R391 PolarHBondContact O-N 3.21Å |
| 241 | Y | 96.9 | Very high | 74.7 | Confident | 48 Ų | 48 | 90.7 Ų | 90.7 | 19% | 0.188 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 129.1 | 174.3 | -62.4 | -84.5 | 0 | 0 | 0 | 109.5 | V239 R391 Y393 E395 F398 | V239-Y241 HydrophobicContact CG1-CD2 4.39Å; V239-Y241 HydrophobicContact CG1-CE1 4.38Å; V239-Y241 HydrophobicContact CG1-CE2 3.88Å; Y241-R391 HydrophobicContact CD1-CB 3.81Å; Y241-R391 HydrophobicContact CE1-CB 4.13Å; Y241-R391 HydrophobicContact CE1-CG 4.37Å; Y241-R391 PolarHBondContact OH-NH1 3.46Å; Y241-Y393 VanDerWaalsContact CD1-O 3.31Å; Y241-Y393 WeakPolarHBondContact CD1-O 3.36Å; Y241-E395 HydrophobicContact CD1-CB 4.21Å; Y241-E395 HydrophobicContact CD2-CB 3.88Å; Y241-E395 HydrophobicContact CD2-CG 4.47Å; Y241-E395 HydrophobicContact CE1-CB 4.01Å; Y241-E395 HydrophobicContact CE1-CG 4.45Å; Y241-E395 HydrophobicContact CE2-CB 3.66Å; Y241-E395 HydrophobicContact CE2-CG 3.78Å; Y241-E395 HydrophobicContact CG-CB 4.14Å; Y241-F398 HydrophobicContact CE1-CB 4.21Å |
| 242 | R | 95.9 | Very high | 73.9 | Confident | 104 Ų | 104 | 91.2 Ų | 91.2 | 39% | 0.392 | 47% | 0.469 | S | S | . | . | trans | -134.9 | 66.2 | 179.4 | -62.3 | -66.7 | -180 | -94.3 | -1.8 | 108.4 | I244 E265 I390 R391 L392 | R242-I244 PolarHBondContact O-N 3.04Å; R242-E265 IonicContact CZ-OE1 3.63Å; R242-E265 IonicContact CZ-OE2 3.64Å; R242-E265 IonicContact NE-OE1 3.98Å; R242-E265 IonicContact NE-OE2 2.68Å; R242-E265 PolarHBondContact NE-OE2 3.38Å; R242-E265 VanDerWaalsContact NH2-CD 3.34Å; R242-E265 IonicContact NH2-OE1 3.76Å; R242-E265 PolarHBondContact NH2-OE1 2.97Å; R242-E265 IonicContact NH2-OE2 2.85Å; R242-E265 PolarHBondContact NH2-OE2 3.37Å; R242-E265 VanDerWaalsContact NH2-OE2 3.11Å; R242-I390 HydrophobicContact CB-CG2 4.06Å; R242-I390 HydrophobicContact CG-CG2 3.67Å; R242-R391 PolarHBondContact N-O 3.03Å; R242-L392 HydrophobicContact CB-CD2 4.17Å; R242-L392 CarbonylContact O-C 3.39Å; R242-L392 VanDerWaalsContact O-CA 3.31Å; R242-L392 WeakPolarHBondContact O-CA 3.27Å | ||
| 243 | P | 90.2 | Very high | 73.7 | Confident | 67 Ų | 67 | 98.9 Ų | 98.9 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | trans | -57.2 | 137.3 | -176.7 | 25.1 | -33.9 | 0 | 0 | 0 | 110.5 | V245 | P243-V245 PolarHBondContact O-N 2.97Š| ||
| 244 | I | 82.3 | Confident | 74.4 | Confident | 49 Ų | 49 | 92.1 Ų | 92.1 | 25% | 0.251 | 47% | 0.468 | S | S | . | . | trans | -70.1 | 119.7 | 172.3 | -57.7 | 167.5 | 0 | 0 | 0 | 106.8 | R242 E246 D254 Q255 A258 L392 | R242-I244 PolarHBondContact O-N 3.04Å; I244-E246 PolarHBondContact O-N 2.77Å; I244-D254 HydrophobicContact CG2-CB 3.52Å; I244-Q255 HydrophobicContact CD1-CB 4.01Å; I244-Q255 HydrophobicContact CD1-CG 4.08Å; I244-A258 HydrophobicContact CD1-CB 4.26Å; I244-A258 HydrophobicContact CG1-CB 3.7Å; I244-L392 HydrophobicContact CD1-CB 4.18Å; I244-L392 HydrophobicContact CG1-CB 4.17Å | ||
| 245 | V | 70.2 | Confident | 75.3 | Confident | 101 Ų | 101 | 91.5 Ų | 91.5 | 61% | 0.612 | 46% | 0.461 | S | S | * | . | trans | -76.3 | 106.5 | 177.5 | -177.5 | 0 | 0 | 0 | 0 | 107.6 | P243 E247 | P243-V245 PolarHBondContact O-N 2.97Å; V245-E247 HydrophobicContact CG1-CB 4.42Å; V245-E247 HydrophobicContact CG1-CG 3.88Å; V245-E247 PolarHBondContact O-N 3.07Å | ||
| 246 | E | 59.6 | Low | 75.8 | Confident | 167 Ų | 167 | 88.1 Ų | 88.1 | 78% | 0.78 | 45% | 0.451 | S | S | * | . | trans | -73.9 | 72 | 176.3 | -63.5 | -176.2 | 170.3 | 0 | 0 | 110.4 | I244 | I244-E246 PolarHBondContact O-N 2.77Š| ||
| 247 | E | 51.5 | Low | 76 | Confident | 179 Ų | 179 | 88 Ų | 88 | 84% | 0.836 | 44% | 0.442 | S | S | * | . | trans | -93.4 | -4.2 | 172.1 | -89.4 | -177.6 | -167.4 | 0 | 0 | 113.1 | V245 | V245-E247 HydrophobicContact CG1-CB 4.42Å; V245-E247 HydrophobicContact CG1-CG 3.88Å; V245-E247 PolarHBondContact O-N 3.07Å | ||
| 248 | A | 49.4 | Very low | 76.1 | Confident | 56 Ų | 56 | 87.1 Ų | 87.1 | 46% | 0.463 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -138.2 | 159.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D250 | A248-D250 PolarHBondContact O-N 3.47Š|
| 249 | D | 53.2 | Low | 76 | Confident | 179 Ų | 179 | 82.4 Ų | 82.4 | 96% | 0.957 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -68 | -7.2 | 175.2 | -83.7 | -32.3 | 0 | 0 | 0 | 114 | ||
| 250 | D | 57.2 | Low | 75.9 | Confident | 73 Ų | 73 | 81.9 Ų | 81.9 | 39% | 0.39 | 41% | 0.41 | S | S | . | . | trans | -111.2 | 65 | -171.8 | -162.2 | -1.6 | 0 | 0 | 0 | 113.1 | A248 E252 R253 D254 | A248-D250 PolarHBondContact O-N 3.47Å; D250-E252 PolarHBondContact O-N 2.87Å; D250-R253 PolarHBondContact O-N 3.4Å; D250-R253 VanDerWaalsContact O-N 3.07Å; D250-R253 VanDerWaalsContact OD2-CD 3.31Å; D250-R253 WeakPolarHBondContact OD2-CD 3.41Å; D250-R253 IonicContact OD2-NE 2.84Å; D250-D254 PolarHBondContact O-N 3.45Å | ||
| 251 | T | 59 | Low | 75.7 | Confident | 92 Ų | 92 | 84.7 Ų | 84.7 | 56% | 0.564 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -54.4 | -29.4 | -176.3 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | Q255 | T251-Q255 PolarHBondContact O-N 3.11Å; T251-Q255 VanDerWaalsContact O-N 3.12Å |
| 252 | E | 56.3 | Low | 75.7 | Confident | 106 Ų | 106 | 82.5 Ų | 82.5 | 50% | 0.495 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -69.9 | -38.5 | 179.9 | -74.9 | -172.1 | 179.9 | 0 | 0 | 111.7 | D250 D254 L256 | D250-E252 PolarHBondContact O-N 2.87Å; E252-D254 VanDerWaalsContact C-N 3.35Å; E252-L256 PolarHBondContact O-N 2.77Å |
| 253 | R | 57.7 | Low | 75.7 | Confident | 184 Ų | 184 | 77.7 Ų | 77.7 | 69% | 0.694 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.5 | -40.9 | 174.6 | -92.4 | -171.5 | 175.2 | 167.3 | -1.2 | 111.5 | D250 Q255 L256 Q257 | D250-R253 PolarHBondContact O-N 3.4Å; D250-R253 VanDerWaalsContact O-N 3.07Å; D250-R253 VanDerWaalsContact OD2-CD 3.31Å; D250-R253 WeakPolarHBondContact OD2-CD 3.41Å; D250-R253 IonicContact OD2-NE 2.84Å; R253-Q255 PolarHBondContact O-N 2.83Å; R253-L256 PolarHBondContact O-N 3.02Å; R253-Q257 PolarHBondContact O-N 3.01Å |
| 254 | D | 74.6 | Confident | 75.8 | Confident | 44 Ų | 44 | 79 Ų | 79 | 24% | 0.235 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.9 | -38.9 | -177.9 | -60.9 | -24.7 | 0 | 0 | 0 | 111.3 | I244 D250 E252 Q257 A258 | I244-D254 HydrophobicContact CG2-CB 3.52Å; D250-D254 PolarHBondContact O-N 3.45Å; E252-D254 VanDerWaalsContact C-N 3.35Å; D254-Q257 PolarHBondContact O-N 3.45Å; D254-A258 WeakPolarHBondContact O-CB 3.47Å; D254-A258 PolarHBondContact O-N 3.24Å |
| 255 | Q | 84 | Confident | 76.4 | Confident | 45 Ų | 45 | 78.4 Ų | 78.4 | 21% | 0.21 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65 | -43 | 174.7 | -172.4 | 179.1 | 16.1 | 0 | 0 | 112.7 | I244 T251 R253 A258 I259 P347 | I244-Q255 HydrophobicContact CD1-CB 4.01Å; I244-Q255 HydrophobicContact CD1-CG 4.08Å; T251-Q255 PolarHBondContact O-N 3.11Å; T251-Q255 VanDerWaalsContact O-N 3.12Å; R253-Q255 PolarHBondContact O-N 2.83Å; Q255-A258 PolarHBondContact O-N 3.45Å; Q255-I259 HydrophobicContact CG-CD1 4.17Å; Q255-I259 VanDerWaalsContact O-CG1 3.31Å; Q255-I259 WeakPolarHBondContact O-CG1 3.41Å; Q255-I259 PolarHBondContact O-N 3.09Å; Q255-P347 VanDerWaalsContact NE2-CB 3.29Å |
| 256 | L | 87.2 | Confident | 77.6 | Confident | 45 Ų | 45 | 73.6 Ų | 73.6 | 24% | 0.236 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 177.4 | -77.7 | 175.1 | 0 | 0 | 0 | 111.6 | E252 R253 I259 F260 T287 A290 | E252-L256 PolarHBondContact O-N 2.77Å; R253-L256 PolarHBondContact O-N 3.02Å; L256-I259 PolarHBondContact O-N 3.25Å; L256-F260 WeakPolarHBondContact O-CD1 3.39Å; L256-F260 VanDerWaalsContact O-CG 3.25Å; L256-F260 WeakPolarHBondContact O-CG 3.49Å; L256-F260 PolarHBondContact O-N 2.98Å; L256-T287 HydrophobicContact CD2-CG2 4.11Å; L256-T287 VanDerWaalsContact CD2-OG1 3.27Å; L256-T287 WeakPolarHBondContact CD2-OG1 3.38Å; L256-A290 HydrophobicContact CD2-CB 4.49Å |
| 257 | Q | 89.6 | Confident | 79 | Confident | 98 Ų | 98 | 67.8 Ų | 67.8 | 46% | 0.458 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 176.7 | -172.7 | 58.4 | 50.6 | 0 | 0 | 111.2 | R253 D254 I259 F260 D261 | R253-Q257 PolarHBondContact O-N 3.01Å; D254-Q257 PolarHBondContact O-N 3.45Å; Q257-I259 VanDerWaalsContact C-N 3.28Å; Q257-I259 PolarHBondContact O-N 3.19Å; Q257-F260 WeakPolarHBondContact O-CA 3.28Å; Q257-F260 WeakPolarHBondContact O-CB 3.43Å; Q257-F260 PolarHBondContact O-N 3.32Å; Q257-D261 PolarHBondContact NE2-OD1 2.9Å; Q257-D261 VanDerWaalsContact O-CG 3.26Å; Q257-D261 PolarHBondContact O-N 3.31Å |
| 258 | A | 91.7 | Very high | 80.9 | Confident | 16 Ų | 16 | 66.3 Ų | 66.3 | 13% | 0.132 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.8 | -34.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | I244 D254 Q255 A262 L392 | I244-A258 HydrophobicContact CD1-CB 4.26Å; I244-A258 HydrophobicContact CG1-CB 3.7Å; D254-A258 WeakPolarHBondContact O-CB 3.47Å; D254-A258 PolarHBondContact O-N 3.24Å; Q255-A258 PolarHBondContact O-N 3.45Å; A258-A262 VanDerWaalsContact O-CB 3.28Å; A258-A262 WeakPolarHBondContact O-CB 3.49Å; A258-A262 PolarHBondContact O-N 2.81Å; A258-L392 HydrophobicContact CB-CD1 4.1Å; A258-L392 HydrophobicContact CB-CD2 4.34Å |
| 259 | I | 94.9 | Very high | 83 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 171.4 | -72.6 | 165.8 | 0 | 0 | 0 | 110.8 | Q255 L256 Q257 A262 V263 I276 M278 T287 L392 | Q255-I259 HydrophobicContact CG-CD1 4.17Å; Q255-I259 VanDerWaalsContact O-CG1 3.31Å; Q255-I259 WeakPolarHBondContact O-CG1 3.41Å; Q255-I259 PolarHBondContact O-N 3.09Å; L256-I259 PolarHBondContact O-N 3.25Å; Q257-I259 VanDerWaalsContact C-N 3.28Å; Q257-I259 PolarHBondContact O-N 3.19Å; I259-A262 PolarHBondContact O-N 2.87Å; I259-V263 HydrophobicContact CG2-CG2 4.41Å; I259-V263 WeakPolarHBondContact O-CB 3.23Å; I259-V263 VanDerWaalsContact O-CG2 3.28Å; I259-V263 WeakPolarHBondContact O-CG2 3.25Å; I259-V263 PolarHBondContact O-N 2.89Å; I259-I276 HydrophobicContact CD1-CG2 4.48Å; I259-I276 HydrophobicContact CG2-CD1 3.91Å; I259-M278 HydrophobicContact CD1-CE 4.16Å; I259-M278 HydrophobicContact CD1-SD 4.1Å; I259-T287 HydrophobicContact CD1-CG2 4.15Å; I259-T287 HydrophobicContact CG2-CG2 4.16Å; I259-L392 HydrophobicContact CG1-CD1 3.75Å |
| 260 | F | 94.2 | Very high | 84.8 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 16% | 0.162 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65 | -44.9 | 178.1 | -60.6 | -20.7 | 0 | 0 | 0 | 112.2 | L256 Q257 A262 V263 D264 A290 L291 L294 | L256-F260 WeakPolarHBondContact O-CD1 3.39Å; L256-F260 VanDerWaalsContact O-CG 3.25Å; L256-F260 WeakPolarHBondContact O-CG 3.49Å; L256-F260 PolarHBondContact O-N 2.98Å; Q257-F260 WeakPolarHBondContact O-CA 3.28Å; Q257-F260 WeakPolarHBondContact O-CB 3.43Å; Q257-F260 PolarHBondContact O-N 3.32Å; F260-A262 VanDerWaalsContact C-N 3.29Å; F260-A262 PolarHBondContact O-N 3.37Å; F260-V263 PolarHBondContact O-N 2.89Å; F260-V263 VanDerWaalsContact O-N 3.14Å; F260-D264 PolarHBondContact O-N 2.96Å; F260-A290 HydrophobicContact CE1-CB 4.21Å; F260-A290 HydrophobicContact CZ-CB 3.58Å; F260-L291 HydrophobicContact CD1-CD2 3.57Å; F260-L291 HydrophobicContact CD1-CG 4.36Å; F260-L291 HydrophobicContact CE1-CD2 3.61Å; F260-L291 HydrophobicContact CE1-CG 3.92Å; F260-L294 HydrophobicContact CB-CD1 4.44Å; F260-L294 HydrophobicContact CD1-CD1 3.74Å; F260-L294 HydrophobicContact CD2-CD1 4.46Å; F260-L294 HydrophobicContact CE1-CD1 4.03Å; F260-L294 HydrophobicContact CG-CD1 3.97Å; F260-L294 HydrophobicContact CZ-CD1 4.49Å |
| 261 | D | 94 | Very high | 86.3 | Confident | 89 Ų | 89 | 63.1 Ų | 63.1 | 48% | 0.476 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 177.9 | -60.8 | -18.8 | 0 | 0 | 0 | 110.4 | Q257 D264 E265 | Q257-D261 PolarHBondContact NE2-OD1 2.9Å; Q257-D261 VanDerWaalsContact O-CG 3.26Å; Q257-D261 PolarHBondContact O-N 3.31Å; D261-D264 PolarHBondContact O-N 3.03Å; D261-E265 WeakPolarHBondContact O-CB 3.3Å; D261-E265 PolarHBondContact O-N 2.93Å |
| 262 | A | 96.5 | Very high | 87.8 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 2% | 0.017 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.4 | -38.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A258 I259 F260 L266 I345 I390 L392 | A258-A262 VanDerWaalsContact O-CB 3.28Å; A258-A262 WeakPolarHBondContact O-CB 3.49Å; A258-A262 PolarHBondContact O-N 2.81Å; I259-A262 PolarHBondContact O-N 2.87Å; F260-A262 VanDerWaalsContact C-N 3.29Å; F260-A262 PolarHBondContact O-N 3.37Å; A262-L266 WeakPolarHBondContact O-CB 3.42Å; A262-L266 VanDerWaalsContact O-CG 3.23Å; A262-L266 WeakPolarHBondContact O-CG 3.36Å; A262-L266 PolarHBondContact O-N 3.19Å; A262-I345 HydrophobicContact CB-CD1 3.72Å; A262-I345 HydrophobicContact CB-CG1 4.12Å; A262-I345 HydrophobicContact CB-CG2 4.24Å; A262-I390 HydrophobicContact CB-CB 4.48Å; A262-I390 HydrophobicContact CB-CD1 3.95Å; A262-I390 HydrophobicContact CB-CG2 4.03Å; A262-L392 HydrophobicContact CB-CD2 4.22Å |
| 263 | V | 95.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.1 | -39.2 | 175.3 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | I259 F260 S267 I274 I276 L291 L296 I325 I345 | I259-V263 HydrophobicContact CG2-CG2 4.41Å; I259-V263 WeakPolarHBondContact O-CB 3.23Å; I259-V263 VanDerWaalsContact O-CG2 3.28Å; I259-V263 WeakPolarHBondContact O-CG2 3.25Å; I259-V263 PolarHBondContact O-N 2.89Å; F260-V263 PolarHBondContact O-N 2.89Å; F260-V263 VanDerWaalsContact O-N 3.14Å; V263-S267 WeakPolarHBondContact O-CB 3.43Å; V263-S267 PolarHBondContact O-N 3.19Å; V263-S267 PolarHBondContact O-OG 3.02Å; V263-I274 HydrophobicContact CG1-CD1 4.38Å; V263-I274 HydrophobicContact CG2-CD1 4.42Å; V263-I276 HydrophobicContact CG2-CD1 3.98Å; V263-L291 HydrophobicContact CG2-CD2 4.28Å; V263-L296 HydrophobicContact CG1-CD1 3.75Å; V263-I325 HydrophobicContact CG1-CD1 3.88Å; V263-I325 HydrophobicContact CG2-CD1 4.29Å; V263-I345 HydrophobicContact CG2-CD1 3.65Å |
| 264 | D | 93.5 | Very high | 91.6 | Very high | 95 Ų | 95 | 46 Ų | 46 | 51% | 0.508 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.3 | -46.4 | 175.3 | -171 | 70.8 | 0 | 0 | 0 | 111 | F260 D261 L266 S267 Q268 | F260-D264 PolarHBondContact O-N 2.96Å; D261-D264 PolarHBondContact O-N 3.03Å; D264-L266 PolarHBondContact O-N 3.24Å; D264-S267 WeakPolarHBondContact O-CA 3.3Å; D264-S267 VanDerWaalsContact O-CB 3.31Å; D264-S267 WeakPolarHBondContact O-CB 3.4Å; D264-S267 PolarHBondContact O-N 2.94Å; D264-Q268 PolarHBondContact O-N 2.79Å; D264-Q268 PolarHBondContact OD2-NE2 3.45Å |
| 265 | E | 95.3 | Very high | 92.6 | Very high | 37 Ų | 37 | 44 Ų | 44 | 17% | 0.173 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.2 | -49.8 | 175.3 | -172.9 | -177.8 | 145.7 | 0 | 0 | 111.3 | R240 R242 D261 S267 Q268 I390 | R240-E265 WeakPolarHBondContact CD-OE1 3.41Å; R240-E265 IonicContact CZ-OE1 3.02Å; R240-E265 IonicContact NE-OE1 3.48Å; R240-E265 IonicContact NH1-OE1 3.03Å; R240-E265 PolarHBondContact NH1-OE1 3.39Å; R242-E265 IonicContact CZ-OE1 3.63Å; R242-E265 IonicContact CZ-OE2 3.64Å; R242-E265 IonicContact NE-OE1 3.98Å; R242-E265 IonicContact NE-OE2 2.68Å; R242-E265 PolarHBondContact NE-OE2 3.38Å; R242-E265 VanDerWaalsContact NH2-CD 3.34Å; R242-E265 IonicContact NH2-OE1 3.76Å; R242-E265 PolarHBondContact NH2-OE1 2.97Å; R242-E265 IonicContact NH2-OE2 2.85Å; R242-E265 PolarHBondContact NH2-OE2 3.37Å; R242-E265 VanDerWaalsContact NH2-OE2 3.11Å; D261-E265 WeakPolarHBondContact O-CB 3.3Å; D261-E265 PolarHBondContact O-N 2.93Å; E265-S267 PolarHBondContact O-N 2.76Å; E265-Q268 WeakPolarHBondContact O-CB 3.45Å; E265-Q268 PolarHBondContact O-N 2.84Å; E265-I390 HydrophobicContact CB-CD1 4.39Å; E265-I390 HydrophobicContact CG-CD1 4.43Å |
| 266 | L | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.4 | -16 | 177.6 | -66.4 | 171.8 | 0 | 0 | 0 | 113.3 | A262 D264 Q268 E269 I274 R323 Y343 I345 I388 I390 | A262-L266 WeakPolarHBondContact O-CB 3.42Å; A262-L266 VanDerWaalsContact O-CG 3.23Å; A262-L266 WeakPolarHBondContact O-CG 3.36Å; A262-L266 PolarHBondContact O-N 3.19Å; D264-L266 PolarHBondContact O-N 3.24Å; L266-Q268 VanDerWaalsContact C-N 3.29Å; L266-E269 PolarHBondContact O-N 3.13Å; L266-I274 HydrophobicContact CB-CD1 4.03Å; L266-I274 HydrophobicContact CD1-CD1 4.18Å; L266-I274 HydrophobicContact CD1-CG1 4.42Å; L266-I274 HydrophobicContact CD1-CG2 4.14Å; L266-R323 PolarHBondContact O-NH2 3.45Å; L266-Y343 HydrophobicContact CD1-CG 4.33Å; L266-Y343 HydrophobicContact CD2-CD1 3.73Å; L266-Y343 HydrophobicContact CD2-CE1 4.3Å; L266-Y343 HydrophobicContact CD2-CG 3.85Å; L266-Y343 HydrophobicContact CG-CG 4.46Å; L266-I345 HydrophobicContact CD1-CD1 3.95Å; L266-I345 HydrophobicContact CD1-CG1 3.72Å; L266-I388 HydrophobicContact CD2-CB 3.9Å; L266-I388 HydrophobicContact CD2-CD1 4.24Å; L266-I388 HydrophobicContact CD2-CG2 3.91Å; L266-I390 HydrophobicContact CD1-CD1 3.97Å; L266-I390 HydrophobicContact CD1-CG1 4.39Å; L266-I390 HydrophobicContact CD2-CD1 3.86Å; L266-I390 HydrophobicContact CD2-CG1 4.22Å; L266-I390 HydrophobicContact CG-CD1 3.63Å; L266-I390 HydrophobicContact CG-CG1 4.35Å |
| 267 | S | 89.4 | Confident | 93.8 | Very high | 44 Ų | 44 | 39.8 Ų | 39.8 | 31% | 0.308 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -76.2 | -19.9 | 174.5 | -64.5 | 0 | 0 | 0 | 0 | 113.4 | V263 D264 E265 E269 R323 | V263-S267 WeakPolarHBondContact O-CB 3.43Å; V263-S267 PolarHBondContact O-N 3.19Å; V263-S267 PolarHBondContact O-OG 3.02Å; D264-S267 WeakPolarHBondContact O-CA 3.3Å; D264-S267 VanDerWaalsContact O-CB 3.31Å; D264-S267 WeakPolarHBondContact O-CB 3.4Å; D264-S267 PolarHBondContact O-N 2.94Å; E265-S267 PolarHBondContact O-N 2.76Å; S267-E269 VanDerWaalsContact C-N 3.3Å; S267-R323 PolarHBondContact OG-NH1 3.49Å |
| 268 | Q | 91 | Very high | 94.1 | Very high | 149 Ų | 149 | 35.3 Ų | 35.3 | 70% | 0.696 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -82.5 | -13.4 | 174.3 | -57.5 | 172.9 | 26.2 | 0 | 0 | 112.1 | D264 E265 L266 | D264-Q268 PolarHBondContact O-N 2.79Å; D264-Q268 PolarHBondContact OD2-NE2 3.45Å; E265-Q268 WeakPolarHBondContact O-CB 3.45Å; E265-Q268 PolarHBondContact O-N 2.84Å; L266-Q268 VanDerWaalsContact C-N 3.29Å |
| 269 | E | 93.7 | Very high | 94 | Very high | 69 Ų | 69 | 35 Ų | 35 | 32% | 0.322 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -84.4 | 171.6 | 176.1 | -60.3 | -71.6 | 174.7 | 0 | 0 | 112 | R240 L266 S267 Y343 I388 | R240-E269 IonicContact CZ-OE1 3.15Å; R240-E269 IonicContact NH1-OE1 2.68Å; R240-E269 PolarHBondContact NH1-OE1 3.49Å; R240-E269 IonicContact NH2-OE1 3.32Å; R240-E269 PolarHBondContact NH2-OE1 3.09Å; L266-E269 PolarHBondContact O-N 3.13Å; S267-E269 VanDerWaalsContact C-N 3.3Å; E269-Y343 HydrophobicContact CB-CE1 4.27Å; E269-Y343 HydrophobicContact CB-CE2 4.43Å; E269-Y343 VanDerWaalsContact CB-OH 3.29Å; E269-Y343 WeakPolarHBondContact CB-OH 3.43Å; E269-I388 HydrophobicContact CB-CD1 4.27Å; E269-I388 VanDerWaalsContact CD-CD1 3.43Å; E269-I388 HydrophobicContact CG-CD1 3.54Å |
| 270 | S | 90.5 | Very high | 93.5 | Very high | 49 Ų | 49 | 35.3 Ų | 35.3 | 34% | 0.343 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -54.9 | 157.5 | 178.8 | 65.1 | 0 | 0 | 0 | 0 | 113.8 | G272 K342 Y343 | S270-G272 PolarHBondContact O-N 2.54Å; S270-K342 WeakPolarHBondContact OG-CE 3.45Å; S270-K342 PolarHBondContact OG-NZ 3.24Å; S270-Y343 PolarHBondContact N-OH 3.06Å; S270-Y343 VanDerWaalsContact O-CE2 3.31Å; S270-Y343 WeakPolarHBondContact O-CE2 3.43Å; S270-Y343 PolarHBondContact O-OH 3.32Å; S270-Y343 PolarHBondContact OG-OH 3.31Å |
| 271 | P | 89.2 | Confident | 93 | Very high | 122 Ų | 122 | 35.8 Ų | 35.8 | 79% | 0.792 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -58.1 | 137.8 | 178.3 | -25.6 | 35.1 | 0 | 0 | 0 | 113.4 | ||
| 272 | G | 90.7 | Very high | 92.3 | Very high | 15 Ų | 15 | 37.8 Ų | 37.8 | 16% | 0.155 | 20% | 0.202 | C | C | . | . | trans | 169.8 | 159 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S270 R323 | S270-G272 PolarHBondContact O-N 2.54Å; G272-R323 WeakPolarHBondContact O-CG 3.26Å; G272-R323 PolarHBondContact O-NE 2.98Å | ||
| 273 | D | 95.5 | Very high | 91.8 | Very high | 8 Ų | 8 | 39.4 Ų | 39.4 | 4% | 0.043 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 153.3 | -178.4 | -58.9 | -30.4 | 0 | 0 | 0 | 111.8 | H320 R324 G340 I341 K342 Y343 | D273-H320 IonicContact OD1-CE1 3.84Å; D273-H320 PolarHBondContact OD1-CE1 3.28Å; D273-H320 IonicContact OD2-CE1 3.86Å; D273-H320 PolarHBondContact OD2-CE1 3.29Å; D273-H320 IonicContact OD2-NE2 2.79Å; D273-H320 PolarHBondContact OD2-NE2 3.3Å; D273-R324 VanDerWaalsContact CA-O 3.31Å; D273-R324 WeakPolarHBondContact CA-O 3.48Å; D273-R324 HydrophobicContact CB-CB 4.31Å; D273-R324 WeakPolarHBondContact CB-O 3.25Å; D273-R324 PolarHBondContact OD1-N 3.23Å; D273-G340 WeakPolarHBondContact CB-O 3.38Å; D273-G340 PolarHBondContact N-O 3.32Å; D273-G340 WeakPolarHBondContact OD2-CA 3.35Å; D273-I341 HydrophobicContact CB-CD1 3.89Å; D273-K342 PolarHBondContact O-N 3.35Å; D273-Y343 PolarHBondContact O-N 3.44Å |
| 274 | I | 96.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.6 | -178.4 | -51.7 | 178.2 | 0 | 0 | 0 | 108.9 | V263 L266 I276 R324 I325 V326 Y343 I345 | V263-I274 HydrophobicContact CG1-CD1 4.38Å; V263-I274 HydrophobicContact CG2-CD1 4.42Å; L266-I274 HydrophobicContact CB-CD1 4.03Å; L266-I274 HydrophobicContact CD1-CD1 4.18Å; L266-I274 HydrophobicContact CD1-CG1 4.42Å; L266-I274 HydrophobicContact CD1-CG2 4.14Å; I274-I276 HydrophobicContact CG2-CD1 4.36Å; I274-I276 HydrophobicContact CG2-CG1 3.85Å; I274-R324 PolarHBondContact N-O 3.03Å; I274-I325 HydrophobicContact CB-CG1 4.23Å; I274-I325 HydrophobicContact CB-CG2 4.48Å; I274-I325 HydrophobicContact CD1-CD1 4.37Å; I274-I325 HydrophobicContact CD1-CG1 4.29Å; I274-I325 CarbonylContact O-C 3.57Å; I274-I325 WeakPolarHBondContact O-CA 3.45Å; I274-V326 PolarHBondContact O-N 3.37Å; I274-Y343 CarbonylContact C-O 3.55Å; I274-Y343 WeakPolarHBondContact CA-O 3.4Å; I274-Y343 HydrophobicContact CG1-CD2 4.23Å; I274-I345 HydrophobicContact CG2-CD1 3.8Å; I274-I345 HydrophobicContact CG2-CG1 3.92Å |
| 275 | L | 96.9 | Very high | 90.9 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 119.4 | 168.7 | 178.7 | 64.5 | 0 | 0 | 0 | 109.3 | F277 V326 A328 A332 I341 Y343 V344 I345 R380 | L275-F277 HydrophobicContact CD2-CE2 3.78Å; L275-F277 HydrophobicContact CD2-CZ 3.76Å; L275-F277 HydrophobicContact CG-CE2 4.1Å; L275-F277 HydrophobicContact CG-CZ 4.35Å; L275-V326 CarbonylContact C-O 3.59Å; L275-V326 WeakPolarHBondContact CA-O 3.47Å; L275-V326 HydrophobicContact CD1-CB 3.97Å; L275-V326 HydrophobicContact CD1-CG1 3.93Å; L275-A328 HydrophobicContact CD1-CB 3.63Å; L275-A332 HydrophobicContact CD1-CB 4.17Å; L275-A332 HydrophobicContact CD2-CB 4.21Å; L275-I341 HydrophobicContact CB-CD1 3.91Å; L275-I341 HydrophobicContact CB-CG1 4.24Å; L275-I341 HydrophobicContact CB-CG2 3.74Å; L275-Y343 PolarHBondContact N-O 2.96Å; L275-V344 HydrophobicContact CB-CG2 4.37Å; L275-V344 CarbonylContact O-C 3.57Å; L275-V344 VanDerWaalsContact O-CA 3.29Å; L275-V344 WeakPolarHBondContact O-CA 3.48Å; L275-I345 PolarHBondContact O-N 3.33Å; L275-R380 HydrophobicContact CD2-CB 3.84Å; L275-R380 HydrophobicContact CD2-CG 4.09Å |
| 276 | I | 98.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 122.9 | 178.2 | -46 | -171.4 | 0 | 0 | 0 | 108.8 | I259 V263 I274 M278 L291 I325 V326 L327 A328 I345 | I259-I276 HydrophobicContact CD1-CG2 4.48Å; I259-I276 HydrophobicContact CG2-CD1 3.91Å; V263-I276 HydrophobicContact CG2-CD1 3.98Å; I274-I276 HydrophobicContact CG2-CD1 4.36Å; I274-I276 HydrophobicContact CG2-CG1 3.85Å; I276-M278 HydrophobicContact CG2-SD 3.77Å; I276-L291 HydrophobicContact CD1-CD1 4.3Å; I276-I325 HydrophobicContact CD1-CG2 3.53Å; I276-I325 HydrophobicContact CG1-CG2 3.89Å; I276-V326 PolarHBondContact N-O 2.83Å; I276-L327 HydrophobicContact CB-CD2 3.63Å; I276-L327 HydrophobicContact CD1-CD2 3.7Å; I276-L327 HydrophobicContact CG1-CD2 3.91Å; I276-L327 HydrophobicContact CG2-CD2 4.19Å; I276-L327 CarbonylContact O-C 3.53Å; I276-L327 WeakPolarHBondContact O-CA 3.3Å; I276-A328 PolarHBondContact O-N 3.32Å; I276-I345 WeakPolarHBondContact CA-O 3.46Å; I276-I345 HydrophobicContact CB-CB 4.37Å; I276-I345 HydrophobicContact CD1-CD1 3.84Å; I276-I345 HydrophobicContact CG1-CB 4.09Å; I276-I345 HydrophobicContact CG1-CD1 4.04Å; I276-I345 HydrophobicContact CG1-CG1 4.4Å; I276-I345 HydrophobicContact CG2-CB 4.08Å; I276-I345 HydrophobicContact CG2-CG2 4.17Å |
| 277 | F | 97.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 133.8 | 176.4 | -76.1 | -84 | 0 | 0 | 0 | 111.8 | L275 A328 A332 E333 V344 I345 P347 R377 R380 | L275-F277 HydrophobicContact CD2-CE2 3.78Å; L275-F277 HydrophobicContact CD2-CZ 3.76Å; L275-F277 HydrophobicContact CG-CE2 4.1Å; L275-F277 HydrophobicContact CG-CZ 4.35Å; F277-A328 CarbonylContact C-O 3.51Å; F277-A328 WeakPolarHBondContact CA-O 3.43Å; F277-A332 HydrophobicContact CE1-CB 4.14Å; F277-A332 HydrophobicContact CZ-CB 4.39Å; F277-E333 HydrophobicContact CE1-CB 4.15Å; F277-V344 HydrophobicContact CD2-CG1 4.08Å; F277-V344 HydrophobicContact CE2-CG1 3.98Å; F277-I345 PolarHBondContact N-O 3.35Å; F277-P347 WeakPolarHBondContact O-CD 3.47Å; F277-P347 VanDerWaalsContact O-CG 3.23Å; F277-P347 WeakPolarHBondContact O-CG 3.44Å; F277-R377 VanDerWaalsContact CB-NH1 3.33Å; F277-R377 HydrophobicContact CD1-CG 4.2Å; F277-R377 HydrophobicContact CD2-CB 3.99Å; F277-R377 HydrophobicContact CD2-CG 3.85Å; F277-R377 HydrophobicContact CE1-CG 3.9Å; F277-R377 HydrophobicContact CE2-CB 3.53Å; F277-R377 HydrophobicContact CE2-CG 3.52Å; F277-R377 HydrophobicContact CG-CG 4.18Å; F277-R377 HydrophobicContact CZ-CB 3.97Å; F277-R377 HydrophobicContact CZ-CG 3.55Å; F277-R380 HydrophobicContact CZ-CG 4.19Å |
| 278 | M | 95.5 | Very high | 90.3 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.02 | 20% | 0.195 | C | C | . | . | trans | -130.5 | 145.9 | -178.5 | -56.4 | -55.6 | -62.8 | 0 | 0 | 110.6 | I259 I276 G280 E283 I284 T287 L327 A328 | I259-M278 HydrophobicContact CD1-CE 4.16Å; I259-M278 HydrophobicContact CD1-SD 4.1Å; I276-M278 HydrophobicContact CG2-SD 3.77Å; M278-G280 VanDerWaalsContact C-N 3.27Å; M278-G280 PolarHBondContact O-N 3.38Å; M278-E283 HydrophobicContact CB-CB 4.5Å; M278-E283 HydrophobicContact CE-CB 3.78Å; M278-I284 HydrophobicContact CB-CD1 4.17Å; M278-I284 HydrophobicContact CB-CG1 3.39Å; M278-I284 HydrophobicContact CG-CG1 3.61Å; M278-T287 HydrophobicContact CE-CG2 4.43Å; M278-T287 WeakPolarHBondContact CE-OG1 3.3Å; M278-L327 HydrophobicContact CG-CB 4.41Å; M278-A328 PolarHBondContact N-O 2.93Å | ||
| 279 | S | 89.3 | Confident | 90.1 | Very high | 10 Ų | 10 | 34.8 Ų | 34.8 | 7% | 0.07 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -67.7 | -24.3 | -176.4 | -60.8 | 0 | 0 | 0 | 0 | 113.7 | T349 R351 I366 | S279-T349 PolarHBondContact OG-OG1 3.33Å; S279-R351 WeakPolarHBondContact O-CD 3.36Å; S279-R351 VanDerWaalsContact O-CG 3.25Å; S279-R351 WeakPolarHBondContact O-CG 3.16Å; S279-R351 PolarHBondContact O-NE 2.83Å; S279-R351 VanDerWaalsContact O-NE 3.17Å; S279-I366 WeakPolarHBondContact OG-CG2 3.49Å |
| 280 | G | 86.2 | Confident | 89.9 | Confident | 5 Ų | 5 | 32.5 Ų | 32.5 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -173.1 | -179.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | M278 R282 E283 I284 | M278-G280 VanDerWaalsContact C-N 3.27Å; M278-G280 PolarHBondContact O-N 3.38Å; G280-R282 PolarHBondContact O-N 3.43Å; G280-E283 WeakPolarHBondContact CA-OE2 3.35Å; G280-E283 PolarHBondContact N-OE2 3.45Å; G280-E283 VanDerWaalsContact N-OE2 3.14Å; G280-E283 PolarHBondContact O-N 2.89Å; G280-I284 VanDerWaalsContact O-CG1 3.31Å; G280-I284 WeakPolarHBondContact O-CG1 3.27Å; G280-I284 PolarHBondContact O-N 2.83Å |
| 281 | E | 83.6 | Confident | 89.9 | Confident | 48 Ų | 48 | 30.2 Ų | 30.2 | 22% | 0.224 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.3 | -37.7 | -176.1 | 173.3 | 173.1 | -157.1 | 0 | 0 | 113.2 | I284 R285 Y305 R307 | E281-I284 PolarHBondContact O-N 3.37Å; E281-R285 PolarHBondContact O-N 3.21Å; E281-Y305 HydrophobicContact CB-CD2 4.32Å; E281-Y305 HydrophobicContact CB-CE2 4.18Å; E281-Y305 HydrophobicContact CG-CD2 4.33Å; E281-Y305 HydrophobicContact CG-CE1 4.19Å; E281-Y305 HydrophobicContact CG-CE2 3.69Å; E281-Y305 WeakPolarHBondContact OE1-CE2 3.43Å; E281-Y305 PolarHBondContact OE1-OH 3.47Å; E281-R307 IonicContact OE2-CZ 2.71Å; E281-R307 VanDerWaalsContact OE2-CZ 3.23Å; E281-R307 IonicContact OE2-NE 3.9Å; E281-R307 IonicContact OE2-NH1 3.89Å; E281-R307 PolarHBondContact OE2-NH1 3.3Å; E281-R307 IonicContact OE2-NH2 2.57Å |
| 282 | R | 79.2 | Confident | 89.9 | Confident | 131 Ų | 131 | 28.5 Ų | 28.5 | 49% | 0.494 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -61.2 | -50.6 | 176.9 | 172.2 | 172.7 | 178.6 | -153.8 | -6 | 109.8 | G280 I284 R285 D286 | G280-R282 PolarHBondContact O-N 3.43Å; R282-I284 VanDerWaalsContact C-N 3.35Å; R282-I284 PolarHBondContact O-N 3.31Å; R282-R285 PolarHBondContact O-N 2.81Å; R282-D286 VanDerWaalsContact CG-OD2 3.29Å; R282-D286 WeakPolarHBondContact CG-OD2 3.28Å; R282-D286 IonicContact NE-OD2 3.44Å; R282-D286 PolarHBondContact NE-OD2 3.27Å; R282-D286 WeakPolarHBondContact O-CB 3.41Å; R282-D286 PolarHBondContact O-N 3.1Å |
| 283 | E | 85.8 | Confident | 89.9 | Confident | 35 Ų | 35 | 35.4 Ų | 35.4 | 16% | 0.164 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | -179.3 | -60.9 | 75.7 | -166.3 | 0 | 0 | 111 | M278 G280 R285 D286 T287 R351 | M278-E283 HydrophobicContact CB-CB 4.5Å; M278-E283 HydrophobicContact CE-CB 3.78Å; G280-E283 WeakPolarHBondContact CA-OE2 3.35Å; G280-E283 PolarHBondContact N-OE2 3.45Å; G280-E283 VanDerWaalsContact N-OE2 3.14Å; G280-E283 PolarHBondContact O-N 2.89Å; E283-R285 VanDerWaalsContact C-N 3.31Å; E283-R285 PolarHBondContact O-N 2.92Å; E283-D286 PolarHBondContact O-N 3.18Å; E283-T287 WeakPolarHBondContact O-CB 3.34Å; E283-T287 PolarHBondContact O-N 3.05Å; E283-T287 PolarHBondContact O-OG1 3.2Å; E283-R351 IonicContact OE1-CZ 2.62Å; E283-R351 IonicContact OE1-NH2 2.83Å; E283-R351 PolarHBondContact OE1-NH2 3.03Å; E283-R351 IonicContact OE2-CZ 3.86Å; E283-R351 IonicContact OE2-NH2 3.67Å; E283-R351 PolarHBondContact OE2-NH2 2.72Å |
| 284 | I | 88.3 | Confident | 89.5 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.1 | -46.5 | 174.6 | -74.3 | 171.7 | 0 | 0 | 0 | 111.6 | M278 G280 E281 R282 A288 P303 Y305 L327 T329 | M278-I284 HydrophobicContact CB-CD1 4.17Å; M278-I284 HydrophobicContact CB-CG1 3.39Å; M278-I284 HydrophobicContact CG-CG1 3.61Å; G280-I284 VanDerWaalsContact O-CG1 3.31Å; G280-I284 WeakPolarHBondContact O-CG1 3.27Å; G280-I284 PolarHBondContact O-N 2.83Å; E281-I284 PolarHBondContact O-N 3.37Å; R282-I284 VanDerWaalsContact C-N 3.35Å; R282-I284 PolarHBondContact O-N 3.31Å; I284-A288 VanDerWaalsContact O-CB 3.24Å; I284-A288 WeakPolarHBondContact O-CB 3.5Å; I284-A288 PolarHBondContact O-N 2.98Å; I284-P303 HydrophobicContact CG2-CB 3.69Å; I284-Y305 HydrophobicContact CD1-CD1 3.68Å; I284-Y305 HydrophobicContact CD1-CG 4.26Å; I284-Y305 HydrophobicContact CG2-CD1 4.22Å; I284-Y305 HydrophobicContact CG2-CE1 4.18Å; I284-L327 HydrophobicContact CB-CB 4.46Å; I284-L327 HydrophobicContact CG1-CB 4.25Å; I284-L327 HydrophobicContact CG2-CB 3.84Å; I284-L327 HydrophobicContact CG2-CD1 4.36Å; I284-L327 VanDerWaalsContact O-CD1 3.27Å; I284-L327 WeakPolarHBondContact O-CD1 3.13Å; I284-T329 HydrophobicContact CD1-CG2 3.82Å |
| 285 | R | 82.5 | Confident | 88.9 | Confident | 73 Ų | 73 | 45.4 Ų | 45.4 | 28% | 0.275 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.1 | -49.9 | -179 | 175.3 | -168.3 | 57.6 | -147.5 | -5.6 | 111.3 | E281 R282 E283 T287 A288 D289 M516 | E281-R285 PolarHBondContact O-N 3.21Å; R282-R285 PolarHBondContact O-N 2.81Å; E283-R285 VanDerWaalsContact C-N 3.31Å; E283-R285 PolarHBondContact O-N 2.92Å; R285-T287 PolarHBondContact O-N 3.37Å; R285-A288 WeakPolarHBondContact O-CA 3.38Å; R285-A288 WeakPolarHBondContact O-CB 3.43Å; R285-A288 PolarHBondContact O-N 2.89Å; R285-D289 PolarHBondContact O-N 2.79Å; R285-M516 VanDerWaalsContact CD-CE 3.41Å; R285-M516 VanDerWaalsContact NH1-CE 3.29Å; R285-M516 PolarHBondContact NH1-SD 2.94Å |
| 286 | D | 85.5 | Confident | 88.5 | Confident | 50 Ų | 50 | 47.8 Ų | 47.8 | 27% | 0.267 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.9 | -37.7 | -174.7 | -59.1 | -5.4 | 0 | 0 | 0 | 109.3 | R282 E283 A290 | R282-D286 VanDerWaalsContact CG-OD2 3.29Å; R282-D286 WeakPolarHBondContact CG-OD2 3.28Å; R282-D286 IonicContact NE-OD2 3.44Å; R282-D286 PolarHBondContact NE-OD2 3.27Å; R282-D286 WeakPolarHBondContact O-CB 3.41Å; R282-D286 PolarHBondContact O-N 3.1Å; E283-D286 PolarHBondContact O-N 3.18Å; D286-A290 WeakPolarHBondContact O-CB 3.5Å; D286-A290 PolarHBondContact O-N 3.49Å |
| 287 | T | 90 | Very high | 87.8 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.9 | -40.6 | 169.6 | -56.4 | 0 | 0 | 0 | 0 | 113.5 | L256 I259 M278 E283 R285 A290 L291 L327 | L256-T287 HydrophobicContact CD2-CG2 4.11Å; L256-T287 VanDerWaalsContact CD2-OG1 3.27Å; L256-T287 WeakPolarHBondContact CD2-OG1 3.38Å; I259-T287 HydrophobicContact CD1-CG2 4.15Å; I259-T287 HydrophobicContact CG2-CG2 4.16Å; M278-T287 HydrophobicContact CE-CG2 4.43Å; M278-T287 WeakPolarHBondContact CE-OG1 3.3Å; E283-T287 WeakPolarHBondContact O-CB 3.34Å; E283-T287 PolarHBondContact O-N 3.05Å; E283-T287 PolarHBondContact O-OG1 3.2Å; R285-T287 PolarHBondContact O-N 3.37Å; T287-A290 PolarHBondContact O-N 3.35Å; T287-L291 HydrophobicContact CG2-CD1 3.85Å; T287-L291 HydrophobicContact CG2-CG 4.18Å; T287-L291 WeakPolarHBondContact O-CB 3.47Å; T287-L291 WeakPolarHBondContact O-CG 3.27Å; T287-L291 PolarHBondContact O-N 3.27Å; T287-L327 HydrophobicContact CG2-CD1 4.18Å; T287-L327 HydrophobicContact CG2-CD2 4.09Å |
| 288 | A | 90 | Very high | 87.3 | Confident | 14 Ų | 14 | 66.7 Ų | 66.7 | 12% | 0.116 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I284 R285 A290 L291 N292 I301 L327 | I284-A288 VanDerWaalsContact O-CB 3.24Å; I284-A288 WeakPolarHBondContact O-CB 3.5Å; I284-A288 PolarHBondContact O-N 2.98Å; R285-A288 WeakPolarHBondContact O-CA 3.38Å; R285-A288 WeakPolarHBondContact O-CB 3.43Å; R285-A288 PolarHBondContact O-N 2.89Å; A288-A290 VanDerWaalsContact C-N 3.26Å; A288-A290 PolarHBondContact O-N 2.84Å; A288-L291 PolarHBondContact O-N 3.35Å; A288-N292 WeakPolarHBondContact O-CB 2.97Å; A288-N292 PolarHBondContact O-N 2.88Å; A288-N292 PolarHBondContact O-ND2 3.39Å; A288-I301 HydrophobicContact CB-CG2 4.09Å; A288-L327 HydrophobicContact CB-CD1 3.65Å |
| 289 | D | 87.6 | Confident | 87.1 | Confident | 86 Ų | 86 | 68.1 Ų | 68.1 | 46% | 0.46 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 179 | -72.4 | -17.3 | 0 | 0 | 0 | 110.7 | R285 K293 | R285-D289 PolarHBondContact O-N 2.79Å; D289-K293 WeakPolarHBondContact O-CG 3.47Å; D289-K293 PolarHBondContact O-N 3.15Å |
| 290 | A | 88.9 | Confident | 87.4 | Confident | 21 Ų | 21 | 70.4 Ų | 70.4 | 17% | 0.174 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73.3 | -42 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L256 F260 D286 T287 A288 K293 | L256-A290 HydrophobicContact CD2-CB 4.49Å; F260-A290 HydrophobicContact CE1-CB 4.21Å; F260-A290 HydrophobicContact CZ-CB 3.58Å; D286-A290 WeakPolarHBondContact O-CB 3.5Å; D286-A290 PolarHBondContact O-N 3.49Å; T287-A290 PolarHBondContact O-N 3.35Å; A288-A290 VanDerWaalsContact C-N 3.26Å; A288-A290 PolarHBondContact O-N 2.84Å; A290-K293 WeakPolarHBondContact O-CB 3.43Å; A290-K293 PolarHBondContact O-N 2.71Å |
| 291 | L | 90.7 | Very high | 87.7 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 174 | -75.3 | 173.3 | 0 | 0 | 0 | 112.5 | F260 V263 I276 T287 A288 K293 L294 I301 I325 L327 | F260-L291 HydrophobicContact CD1-CD2 3.57Å; F260-L291 HydrophobicContact CD1-CG 4.36Å; F260-L291 HydrophobicContact CE1-CD2 3.61Å; F260-L291 HydrophobicContact CE1-CG 3.92Å; V263-L291 HydrophobicContact CG2-CD2 4.28Å; I276-L291 HydrophobicContact CD1-CD1 4.3Å; T287-L291 HydrophobicContact CG2-CD1 3.85Å; T287-L291 HydrophobicContact CG2-CG 4.18Å; T287-L291 WeakPolarHBondContact O-CB 3.47Å; T287-L291 WeakPolarHBondContact O-CG 3.27Å; T287-L291 PolarHBondContact O-N 3.27Å; A288-L291 PolarHBondContact O-N 3.35Å; L291-K293 PolarHBondContact O-N 3.02Å; L291-L294 HydrophobicContact CD2-CD1 4.08Å; L291-L294 WeakPolarHBondContact O-CB 3.39Å; L291-L294 PolarHBondContact O-N 2.95Å; L291-L294 VanDerWaalsContact O-N 3.1Å; L291-I301 HydrophobicContact CB-CD1 3.43Å; L291-I301 VanDerWaalsContact CB-CD1 3.43Å; L291-I301 HydrophobicContact CB-CG1 4.29Å; L291-I325 HydrophobicContact CD1-CG2 4.17Å; L291-L327 HydrophobicContact CD1-CD1 4.4Å; L291-L327 HydrophobicContact CD1-CD2 4Å |
| 292 | N | 89.7 | Confident | 88.2 | Confident | 86 Ų | 86 | 69.3 Ų | 69.3 | 46% | 0.46 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.2 | -33.3 | 177.4 | -84.2 | -63.3 | 0 | 0 | 0 | 111.7 | A288 L294 N295 I301 | A288-N292 WeakPolarHBondContact O-CB 2.97Å; A288-N292 PolarHBondContact O-N 2.88Å; A288-N292 PolarHBondContact O-ND2 3.39Å; N292-L294 VanDerWaalsContact C-N 3.25Å; N292-L294 PolarHBondContact O-N 2.87Å; N292-N295 PolarHBondContact O-N 3.43Å; N292-I301 HydrophobicContact CB-CD1 4.22Å; N292-I301 WeakPolarHBondContact OD1-CD1 3.35Å |
| 293 | K | 89.7 | Confident | 88.9 | Confident | 161 Ų | 161 | 65.3 Ų | 65.3 | 70% | 0.7 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -67.4 | -23 | 177 | -71.5 | 169.3 | -174.5 | 174.3 | 0 | 113.6 | D289 A290 L291 N295 | D289-K293 WeakPolarHBondContact O-CG 3.47Å; D289-K293 PolarHBondContact O-N 3.15Å; A290-K293 WeakPolarHBondContact O-CB 3.43Å; A290-K293 PolarHBondContact O-N 2.71Å; L291-K293 PolarHBondContact O-N 3.02Å; K293-N295 PolarHBondContact O-N 2.88Å; K293-N295 PolarHBondContact O-ND2 3.36Å; K293-N295 VanDerWaalsContact O-ND2 3.11Å |
| 294 | L | 87.1 | Confident | 89.1 | Confident | 81 Ų | 81 | 63.7 Ų | 63.7 | 42% | 0.424 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -14.7 | 175.6 | -60.8 | 178.8 | 0 | 0 | 0 | 112.6 | F260 L291 N292 L296 | F260-L294 HydrophobicContact CB-CD1 4.44Å; F260-L294 HydrophobicContact CD1-CD1 3.74Å; F260-L294 HydrophobicContact CD2-CD1 4.46Å; F260-L294 HydrophobicContact CE1-CD1 4.03Å; F260-L294 HydrophobicContact CG-CD1 3.97Å; F260-L294 HydrophobicContact CZ-CD1 4.49Å; L291-L294 HydrophobicContact CD2-CD1 4.08Å; L291-L294 WeakPolarHBondContact O-CB 3.39Å; L291-L294 PolarHBondContact O-N 2.95Å; L291-L294 VanDerWaalsContact O-N 3.1Å; N292-L294 VanDerWaalsContact C-N 3.25Å; N292-L294 PolarHBondContact O-N 2.87Å; L294-L296 VanDerWaalsContact C-N 3.26Å; L294-L296 HydrophobicContact CB-CD2 4.12Å; L294-L296 HydrophobicContact CB-CG 4.06Å; L294-L296 PolarHBondContact O-N 2.77Å |
| 295 | N | 84.5 | Confident | 89.1 | Confident | 136 Ų | 136 | 64.9 Ų | 64.9 | 73% | 0.727 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 44.6 | 179.5 | -66.3 | -66.4 | 0 | 0 | 0 | 113.1 | N292 K293 R297 | N292-N295 PolarHBondContact O-N 3.43Å; K293-N295 PolarHBondContact O-N 2.88Å; K293-N295 PolarHBondContact O-ND2 3.36Å; K293-N295 VanDerWaalsContact O-ND2 3.11Å; N295-R297 PolarHBondContact O-N 2.77Å |
| 296 | L | 87.6 | Confident | 88.9 | Confident | 54 Ų | 54 | 64.3 Ų | 64.3 | 28% | 0.283 | 33% | 0.326 | S | S | . | . | trans | -57.8 | 129.8 | 179.6 | -61 | 176.1 | 0 | 0 | 0 | 110.6 | V263 L294 H298 T299 I325 | V263-L296 HydrophobicContact CG1-CD1 3.75Å; L294-L296 VanDerWaalsContact C-N 3.26Å; L294-L296 HydrophobicContact CB-CD2 4.12Å; L294-L296 HydrophobicContact CB-CG 4.06Å; L294-L296 PolarHBondContact O-N 2.77Å; L296-H298 PolarHBondContact O-N 3.03Å; L296-T299 HydrophobicContact CB-CG2 4.29Å; L296-T299 HydrophobicContact CD1-CG2 4.4Å; L296-T299 PolarHBondContact O-N 3.47Å; L296-I325 HydrophobicContact CD1-CD1 3.98Å | ||
| 297 | R | 84.4 | Confident | 88.6 | Confident | 228 Ų | 228 | 68.7 Ų | 68.7 | 86% | 0.86 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 136.5 | -176.4 | -66.4 | -176.5 | -179.2 | -176.3 | 1.3 | 110.8 | N295 T299 | N295-R297 PolarHBondContact O-N 2.77Å; R297-T299 PolarHBondContact O-N 3.36Å; R297-T299 PolarHBondContact O-OG1 3.2Å |
| 298 | H | 87 | Confident | 88 | Confident | 169 Ų | 169 | 68.9 Ų | 68.9 | 78% | 0.782 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 34.9 | 176.2 | -56 | -69.8 | 0 | 0 | 0 | 114.4 | L296 R323 | L296-H298 PolarHBondContact O-N 3.03Å; H298-R323 PolarHBondContact O-N 2.56Å |
| 299 | T | 92.3 | Very high | 87.2 | Confident | 35 Ų | 35 | 68.6 Ų | 68.6 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 128.7 | -176.3 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | L296 R297 R323 I325 | L296-T299 HydrophobicContact CB-CG2 4.29Å; L296-T299 HydrophobicContact CD1-CG2 4.4Å; L296-T299 PolarHBondContact O-N 3.47Å; R297-T299 PolarHBondContact O-N 3.36Å; R297-T299 PolarHBondContact O-OG1 3.2Å; T299-R323 CarbonylContact C-O 3.56Å; T299-R323 VanDerWaalsContact CA-O 3.26Å; T299-R323 WeakPolarHBondContact CA-O 3.47Å; T299-I325 HydrophobicContact CG2-CD1 3.76Å; T299-I325 HydrophobicContact CG2-CG1 3.75Å |
| 300 | E | 94 | Very high | 86.5 | Confident | 57 Ų | 57 | 66.9 Ų | 66.9 | 27% | 0.266 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 128.9 | 174.2 | -179.5 | -175.5 | -155 | 0 | 0 | 109.8 | L302 R315 R323 R324 I325 | E300-L302 HydrophobicContact CG-CD2 3.97Å; E300-L302 HydrophobicContact CG-CG 4.1Å; E300-R315 IonicContact OE1-CZ 3.23Å; E300-R315 VanDerWaalsContact OE1-CZ 3.29Å; E300-R315 IonicContact OE1-NE 2.73Å; E300-R315 PolarHBondContact OE1-NE 3.07Å; E300-R315 IonicContact OE1-NH2 3.83Å; E300-R315 PolarHBondContact OE1-NH2 3.2Å; E300-R323 PolarHBondContact N-O 3.33Å; E300-R324 HydrophobicContact CB-CG 4.18Å; E300-R324 CarbonylContact O-C 3.56Å; E300-R324 VanDerWaalsContact O-CA 3.28Å; E300-R324 WeakPolarHBondContact O-CA 3.46Å; E300-R324 IonicContact OE2-CZ 3.01Å; E300-R324 IonicContact OE2-NE 2.81Å; E300-R324 PolarHBondContact OE2-NE 2.84Å; E300-R324 IonicContact OE2-NH2 2.63Å; E300-R324 PolarHBondContact OE2-NH2 3.3Å; E300-I325 PolarHBondContact O-N 3.43Å |
| 301 | I | 94.2 | Very high | 85.9 | Confident | 24 Ų | 24 | 70.2 Ų | 70.2 | 12% | 0.123 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.8 | 178.4 | -61.9 | 152.1 | 0 | 0 | 0 | 109.3 | A288 L291 N292 I325 L327 | A288-I301 HydrophobicContact CB-CG2 4.09Å; L291-I301 HydrophobicContact CB-CD1 3.43Å; L291-I301 VanDerWaalsContact CB-CD1 3.43Å; L291-I301 HydrophobicContact CB-CG1 4.29Å; N292-I301 HydrophobicContact CB-CD1 4.22Å; N292-I301 WeakPolarHBondContact OD1-CD1 3.35Å; I301-I325 CarbonylContact C-O 3.51Å; I301-I325 WeakPolarHBondContact CA-O 3.13Å; I301-I325 HydrophobicContact CG1-CB 4.28Å; I301-L327 HydrophobicContact CG2-CD1 3.88Å; I301-L327 HydrophobicContact CG2-CG 4.21Å |
| 302 | L | 93.9 | Very high | 85.5 | Confident | 7 Ų | 7 | 74 Ų | 74 | 4% | 0.037 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 130.6 | -176.3 | -64.8 | -178.4 | 0 | 0 | 0 | 111.8 | E300 R315 V316 R324 I325 V326 L327 | E300-L302 HydrophobicContact CG-CD2 3.97Å; E300-L302 HydrophobicContact CG-CG 4.1Å; L302-R315 HydrophobicContact CD1-CG 4.27Å; L302-R315 HydrophobicContact CD2-CG 4.31Å; L302-V316 HydrophobicContact CB-CG1 4.45Å; L302-V316 HydrophobicContact CD1-CG1 4.38Å; L302-R324 HydrophobicContact CD1-CG 4.42Å; L302-I325 PolarHBondContact N-O 2.89Å; L302-V326 CarbonylContact O-C 3.48Å; L302-V326 VanDerWaalsContact O-CA 3.29Å; L302-V326 WeakPolarHBondContact O-CA 3.29Å; L302-L327 PolarHBondContact O-N 3.09Å |
| 303 | P | 93 | Very high | 85.1 | Confident | 46 Ų | 46 | 71.3 Ų | 71.3 | 30% | 0.299 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 150.3 | 171.2 | 32.5 | -34 | 0 | 0 | 0 | 111.8 | I284 Y305 L308 L327 | I284-P303 HydrophobicContact CG2-CB 3.69Å; P303-Y305 HydrophobicContact CB-CD1 4.06Å; P303-Y305 HydrophobicContact CB-CE1 3.71Å; P303-L308 HydrophobicContact CB-CD1 4.15Å; P303-L308 HydrophobicContact CG-CD1 4.14Å; P303-L308 HydrophobicContact CG-CD2 4.25Å; P303-L308 WeakPolarHBondContact O-CD1 3.08Å; P303-L327 CarbonylContact C-O 3.51Å; P303-L327 WeakPolarHBondContact CA-O 3.37Å |
| 304 | L | 90.7 | Very high | 84.8 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 95.1 | 172.9 | -176.3 | 60.1 | 0 | 0 | 0 | 112 | Q313 V316 V326 L327 A328 T329 V331 A332 L336 V338 | L304-Q313 HydrophobicContact CD1-CB 4.46Å; L304-Q313 HydrophobicContact CD1-CG 4.41Å; L304-V316 HydrophobicContact CB-CG1 4.44Å; L304-V316 HydrophobicContact CD1-CG1 4.28Å; L304-V316 HydrophobicContact CD1-CG2 4.3Å; L304-V316 HydrophobicContact CD2-CG2 4.3Å; L304-V326 HydrophobicContact CB-CG1 3.78Å; L304-V326 HydrophobicContact CD2-CG1 4.08Å; L304-L327 PolarHBondContact N-O 2.95Å; L304-A328 HydrophobicContact CB-CB 3.9Å; L304-A328 HydrophobicContact CD2-CB 4.23Å; L304-A328 HydrophobicContact CG-CB 4.31Å; L304-A328 CarbonylContact O-C 3.45Å; L304-A328 WeakPolarHBondContact O-CA 3.49Å; L304-T329 PolarHBondContact O-N 2.86Å; L304-V331 HydrophobicContact CG-CG1 3.92Å; L304-V331 VanDerWaalsContact O-CG1 3.32Å; L304-V331 WeakPolarHBondContact O-CG1 3.41Å; L304-A332 HydrophobicContact CD2-CB 4.04Å; L304-L336 HydrophobicContact CD1-CD2 4.46Å; L304-L336 HydrophobicContact CD2-CD2 4.1Å; L304-V338 HydrophobicContact CD2-CG2 3.76Å |
| 305 | Y | 87.3 | Confident | 84.7 | Confident | 28 Ų | 28 | 68.1 Ų | 68.1 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | trans | -145 | 157.5 | 176.1 | 56.3 | -92.2 | 0 | 0 | 0 | 111.7 | E281 I284 P303 R307 L308 | E281-Y305 HydrophobicContact CB-CD2 4.32Å; E281-Y305 HydrophobicContact CB-CE2 4.18Å; E281-Y305 HydrophobicContact CG-CD2 4.33Å; E281-Y305 HydrophobicContact CG-CE1 4.19Å; E281-Y305 HydrophobicContact CG-CE2 3.69Å; E281-Y305 WeakPolarHBondContact OE1-CE2 3.43Å; E281-Y305 PolarHBondContact OE1-OH 3.47Å; I284-Y305 HydrophobicContact CD1-CD1 3.68Å; I284-Y305 HydrophobicContact CD1-CG 4.26Å; I284-Y305 HydrophobicContact CG2-CD1 4.22Å; I284-Y305 HydrophobicContact CG2-CE1 4.18Å; P303-Y305 HydrophobicContact CB-CD1 4.06Å; P303-Y305 HydrophobicContact CB-CE1 3.71Å; Y305-R307 HydrophobicContact CD2-CB 3.92Å; Y305-R307 HydrophobicContact CE2-CB 3.91Å; Y305-R307 PolarHBondContact O-N 3.44Å; Y305-L308 HydrophobicContact CD1-CD1 4.02Å; Y305-L308 HydrophobicContact CD1-CD2 4.37Å; Y305-L308 HydrophobicContact CD1-CG 3.96Å; Y305-L308 HydrophobicContact CD2-CG 3.98Å; Y305-L308 HydrophobicContact CE1-CD1 4.12Å; Y305-L308 HydrophobicContact CE1-CD2 3.71Å; Y305-L308 HydrophobicContact CE1-CG 3.82Å; Y305-L308 HydrophobicContact CE2-CD2 3.9Å; Y305-L308 HydrophobicContact CE2-CG 3.82Å; Y305-L308 HydrophobicContact CG-CD1 4.37Å; Y305-L308 HydrophobicContact CG-CG 4.05Å; Y305-L308 VanDerWaalsContact CZ-CD2 3.44Å; Y305-L308 WeakPolarHBondContact O-CB 3.48Å; Y305-L308 WeakPolarHBondContact O-CG 3.36Å; Y305-L308 PolarHBondContact O-N 3.3Å | ||
| 306 | A | 79 | Confident | 84.8 | Confident | 60 Ų | 60 | 61.8 Ų | 61.8 | 50% | 0.496 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -29.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q313 | A306-Q313 PolarHBondContact O-NE2 3.22Å; A306-Q313 VanDerWaalsContact O-NE2 3.15Å |
| 307 | R | 78.2 | Confident | 84.6 | Confident | 143 Ų | 143 | 62.1 Ų | 62.1 | 54% | 0.54 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -14.6 | -178.4 | -59.4 | -162.3 | -151.6 | 139.1 | 17.3 | 115 | E281 Y305 Q509 R571 | E281-R307 IonicContact OE2-CZ 2.71Å; E281-R307 VanDerWaalsContact OE2-CZ 3.23Å; E281-R307 IonicContact OE2-NE 3.9Å; E281-R307 IonicContact OE2-NH1 3.89Å; E281-R307 PolarHBondContact OE2-NH1 3.3Å; E281-R307 IonicContact OE2-NH2 2.57Å; Y305-R307 HydrophobicContact CD2-CB 3.92Å; Y305-R307 HydrophobicContact CE2-CB 3.91Å; Y305-R307 PolarHBondContact O-N 3.44Å; R307-Q509 VanDerWaalsContact CA-NE2 3.29Å; R307-Q509 VanDerWaalsContact CG-NE2 3.26Å; R307-R571 PolarHBondContact O-NH2 2.99Å |
| 308 | L | 79.1 | Confident | 84.7 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -58.2 | 150.5 | 175 | -69.6 | 175.7 | 0 | 0 | 0 | 111 | P303 Y305 E312 Q313 R571 | P303-L308 HydrophobicContact CB-CD1 4.15Å; P303-L308 HydrophobicContact CG-CD1 4.14Å; P303-L308 HydrophobicContact CG-CD2 4.25Å; P303-L308 WeakPolarHBondContact O-CD1 3.08Å; Y305-L308 HydrophobicContact CD1-CD1 4.02Å; Y305-L308 HydrophobicContact CD1-CD2 4.37Å; Y305-L308 HydrophobicContact CD1-CG 3.96Å; Y305-L308 HydrophobicContact CD2-CG 3.98Å; Y305-L308 HydrophobicContact CE1-CD1 4.12Å; Y305-L308 HydrophobicContact CE1-CD2 3.71Å; Y305-L308 HydrophobicContact CE1-CG 3.82Å; Y305-L308 HydrophobicContact CE2-CD2 3.9Å; Y305-L308 HydrophobicContact CE2-CG 3.82Å; Y305-L308 HydrophobicContact CG-CD1 4.37Å; Y305-L308 HydrophobicContact CG-CG 4.05Å; Y305-L308 VanDerWaalsContact CZ-CD2 3.44Å; Y305-L308 WeakPolarHBondContact O-CB 3.48Å; Y305-L308 WeakPolarHBondContact O-CG 3.36Å; Y305-L308 PolarHBondContact O-N 3.3Å; L308-E312 HydrophobicContact CB-CB 4.04Å; L308-E312 HydrophobicContact CD1-CB 4.5Å; L308-E312 HydrophobicContact CD2-CB 4.29Å; L308-Q313 HydrophobicContact CB-CG 3.74Å; L308-Q313 PolarHBondContact O-NE2 2.95Å; L308-R571 PolarHBondContact O-NH2 3.29Å |
| 309 | S | 72.1 | Confident | 84.6 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | trans | -61.8 | 157.2 | 171.8 | 70.6 | 0 | 0 | 0 | 0 | 110.6 | S311 E312 Q313 E513 | S309-S311 PolarHBondContact O-N 3.25Å; S309-S311 PolarHBondContact OG-OG 2.75Å; S309-E312 WeakPolarHBondContact CB-OE2 3.32Å; S309-E312 PolarHBondContact N-OE2 3.41Å; S309-E312 PolarHBondContact O-N 3.39Å; S309-E312 VanDerWaalsContact O-N 3.09Å; S309-E312 WeakPolarHBondContact OG-CB 3.23Å; S309-E312 VanDerWaalsContact OG-CG 3.23Å; S309-E312 WeakPolarHBondContact OG-CG 3.27Å; S309-E312 PolarHBondContact OG-N 3.14Å; S309-E312 PolarHBondContact OG-OE2 2.91Å; S309-Q313 PolarHBondContact O-N 2.82Å; S309-E513 WeakPolarHBondContact CB-OE1 3.44Å | ||
| 310 | N | 72.9 | Confident | 84.4 | Confident | 50 Ų | 50 | 56.1 Ų | 56.1 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.6 | -31.9 | 176.6 | -172.2 | 44.3 | 0 | 0 | 0 | 111.7 | N314 L570 | N310-N314 VanDerWaalsContact CG-ND2 3.31Å; N310-N314 PolarHBondContact ND2-ND2 3.46Å; N310-N314 VanDerWaalsContact O-CB 3.26Å; N310-N314 WeakPolarHBondContact O-CB 3.46Å; N310-N314 VanDerWaalsContact O-CG 3.24Å; N310-N314 PolarHBondContact O-N 2.89Å; N310-N314 PolarHBondContact O-ND2 3.12Å; N310-N314 PolarHBondContact OD1-ND2 3.09Å; N310-L570 HydrophobicContact CB-CD1 3.74Å |
| 311 | S | 76.7 | Confident | 84 | Confident | 90 Ų | 90 | 59.1 Ų | 59.1 | 63% | 0.629 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.8 | -40.3 | 174.3 | 35.5 | 0 | 0 | 0 | 0 | 112.7 | S309 N314 R315 | S309-S311 PolarHBondContact O-N 3.25Å; S309-S311 PolarHBondContact OG-OG 2.75Å; S311-N314 PolarHBondContact O-N 2.88Å; S311-R315 PolarHBondContact O-N 3.3Å |
| 312 | E | 81.9 | Confident | 83.7 | Confident | 82 Ų | 82 | 60.2 Ų | 60.2 | 38% | 0.383 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -71.6 | -44.5 | 178.7 | -71.1 | 161.1 | 140.6 | 0 | 0 | 111.2 | L308 S309 N314 R315 | L308-E312 HydrophobicContact CB-CB 4.04Å; L308-E312 HydrophobicContact CD1-CB 4.5Å; L308-E312 HydrophobicContact CD2-CB 4.29Å; S309-E312 WeakPolarHBondContact CB-OE2 3.32Å; S309-E312 PolarHBondContact N-OE2 3.41Å; S309-E312 PolarHBondContact O-N 3.39Å; S309-E312 VanDerWaalsContact O-N 3.09Å; S309-E312 WeakPolarHBondContact OG-CB 3.23Å; S309-E312 VanDerWaalsContact OG-CG 3.23Å; S309-E312 WeakPolarHBondContact OG-CG 3.27Å; S309-E312 PolarHBondContact OG-N 3.14Å; S309-E312 PolarHBondContact OG-OE2 2.91Å; E312-N314 PolarHBondContact O-N 3.47Å; E312-R315 VanDerWaalsContact O-CB 3.26Å; E312-R315 WeakPolarHBondContact O-CB 3.27Å; E312-R315 PolarHBondContact O-N 2.81Å; E312-R315 VanDerWaalsContact O-N 3.11Å |
| 313 | Q | 81.6 | Confident | 83.7 | Confident | 29 Ų | 29 | 61.7 Ų | 61.7 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.2 | -39.4 | 173.1 | -67.1 | -175.2 | 24.6 | 0 | 0 | 111.1 | L304 A306 L308 S309 R315 V316 F317 | L304-Q313 HydrophobicContact CD1-CB 4.46Å; L304-Q313 HydrophobicContact CD1-CG 4.41Å; A306-Q313 PolarHBondContact O-NE2 3.22Å; A306-Q313 VanDerWaalsContact O-NE2 3.15Å; L308-Q313 HydrophobicContact CB-CG 3.74Å; L308-Q313 PolarHBondContact O-NE2 2.95Å; S309-Q313 PolarHBondContact O-N 2.82Å; Q313-R315 VanDerWaalsContact C-N 3.26Å; Q313-R315 PolarHBondContact O-N 2.87Å; Q313-V316 VanDerWaalsContact O-CG2 3.22Å; Q313-V316 WeakPolarHBondContact O-CG2 3.4Å; Q313-F317 WeakPolarHBondContact O-CE2 3.41Å |
| 314 | N | 83.3 | Confident | 83.8 | Confident | 55 Ų | 55 | 60.1 Ų | 60.1 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -72 | -17.7 | 179.5 | -76.4 | -49.1 | 0 | 0 | 0 | 114.3 | N310 S311 E312 V316 F317 | N310-N314 VanDerWaalsContact CG-ND2 3.31Å; N310-N314 PolarHBondContact ND2-ND2 3.46Å; N310-N314 VanDerWaalsContact O-CB 3.26Å; N310-N314 WeakPolarHBondContact O-CB 3.46Å; N310-N314 VanDerWaalsContact O-CG 3.24Å; N310-N314 PolarHBondContact O-N 2.89Å; N310-N314 PolarHBondContact O-ND2 3.12Å; N310-N314 PolarHBondContact OD1-ND2 3.09Å; S311-N314 PolarHBondContact O-N 2.88Å; E312-N314 PolarHBondContact O-N 3.47Å; N314-V316 PolarHBondContact O-N 3.05Å; N314-F317 PolarHBondContact O-N 3.07Å |
| 315 | R | 85.9 | Confident | 84 | Confident | 119 Ų | 119 | 60.1 Ų | 60.1 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.2 | -33.7 | 178.9 | -170 | 174 | 175.6 | 170.6 | -0.3 | 111.7 | E300 L302 S311 E312 Q313 F317 Q318 R324 | E300-R315 IonicContact OE1-CZ 3.23Å; E300-R315 VanDerWaalsContact OE1-CZ 3.29Å; E300-R315 IonicContact OE1-NE 2.73Å; E300-R315 PolarHBondContact OE1-NE 3.07Å; E300-R315 IonicContact OE1-NH2 3.83Å; E300-R315 PolarHBondContact OE1-NH2 3.2Å; L302-R315 HydrophobicContact CD1-CG 4.27Å; L302-R315 HydrophobicContact CD2-CG 4.31Å; S311-R315 PolarHBondContact O-N 3.3Å; E312-R315 VanDerWaalsContact O-CB 3.26Å; E312-R315 WeakPolarHBondContact O-CB 3.27Å; E312-R315 PolarHBondContact O-N 2.81Å; E312-R315 VanDerWaalsContact O-N 3.11Å; Q313-R315 VanDerWaalsContact C-N 3.26Å; Q313-R315 PolarHBondContact O-N 2.87Å; R315-F317 PolarHBondContact O-N 2.97Å; R315-Q318 PolarHBondContact O-N 3.04Å; R315-R324 PolarHBondContact O-NH1 3.29Å |
| 316 | V | 85.7 | Confident | 84.4 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -17 | 178 | -47 | 0 | 0 | 0 | 0 | 113.1 | L302 L304 Q313 N314 V326 V338 | L302-V316 HydrophobicContact CB-CG1 4.45Å; L302-V316 HydrophobicContact CD1-CG1 4.38Å; L304-V316 HydrophobicContact CB-CG1 4.44Å; L304-V316 HydrophobicContact CD1-CG1 4.28Å; L304-V316 HydrophobicContact CD1-CG2 4.3Å; L304-V316 HydrophobicContact CD2-CG2 4.3Å; Q313-V316 VanDerWaalsContact O-CG2 3.22Å; Q313-V316 WeakPolarHBondContact O-CG2 3.4Å; N314-V316 PolarHBondContact O-N 3.05Å; V316-V326 HydrophobicContact CG1-CG1 4.29Å; V316-V338 HydrophobicContact CB-CG1 4.16Å; V316-V338 HydrophobicContact CG2-CG1 4.26Å; V316-V338 HydrophobicContact CG2-CG2 4.17Å |
| 317 | F | 84.5 | Confident | 85.3 | Confident | 61 Ų | 61 | 56 Ų | 56 | 27% | 0.268 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -9.5 | 177.4 | -53.5 | -64.9 | 0 | 0 | 0 | 113.8 | Q313 N314 R315 L336 T337 P339 | Q313-F317 WeakPolarHBondContact O-CE2 3.41Å; N314-F317 PolarHBondContact O-N 3.07Å; R315-F317 PolarHBondContact O-N 2.97Å; F317-L336 HydrophobicContact CE1-CD1 4.2Å; F317-L336 HydrophobicContact CE1-CG 4.08Å; F317-L336 HydrophobicContact CE2-CD1 4.24Å; F317-L336 HydrophobicContact CZ-CD1 3.47Å; F317-L336 VanDerWaalsContact CZ-CD1 3.47Å; F317-L336 HydrophobicContact CZ-CD2 3.81Å; F317-L336 HydrophobicContact CZ-CG 3.57Å; F317-T337 WeakPolarHBondContact CE1-O 3.32Å; F317-P339 HydrophobicContact CD1-CG 4.27Å |
| 318 | Q | 86.5 | Confident | 86.1 | Confident | 114 Ų | 114 | 49.2 Ų | 49.2 | 53% | 0.533 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -74.4 | 139.7 | -179.7 | -67.1 | 179.5 | -8.6 | 0 | 0 | 110.2 | R315 H320 R324 | R315-Q318 PolarHBondContact O-N 3.04Å; Q318-H320 PolarHBondContact O-CD2 3.19Å; Q318-R324 PolarHBondContact O-NH1 2.89Å |
| 319 | S | 85 | Confident | 86.7 | Confident | 126 Ų | 126 | 49.5 Ų | 49.5 | 88% | 0.881 | 28% | 0.279 | S | S | * | . | trans | -56 | 146.7 | 171.3 | -52.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 320 | H | 87.8 | Confident | 87.5 | Confident | 66 Ų | 66 | 52.6 Ų | 52.6 | 31% | 0.306 | 30% | 0.295 | S | S | . | . | trans | -149.1 | 164.1 | -177.2 | 53.2 | 97.5 | 0 | 0 | 0 | 111.9 | D273 Q318 G322 R324 | D273-H320 IonicContact OD1-CE1 3.84Å; D273-H320 PolarHBondContact OD1-CE1 3.28Å; D273-H320 IonicContact OD2-CE1 3.86Å; D273-H320 PolarHBondContact OD2-CE1 3.29Å; D273-H320 IonicContact OD2-NE2 2.79Å; D273-H320 PolarHBondContact OD2-NE2 3.3Å; Q318-H320 PolarHBondContact O-CD2 3.19Å; H320-G322 PolarHBondContact ND1-O 3.13Å; H320-R324 VanDerWaalsContact CB-CZ 3.43Å; H320-R324 PolarHBondContact CD2-NH1 3.46Å | ||
| 321 | S | 85.4 | Confident | 88 | Confident | 120 Ų | 120 | 50.9 Ų | 50.9 | 84% | 0.839 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -106.3 | 150.7 | 167.2 | 58 | 0 | 0 | 0 | 0 | 109.8 | ||
| 322 | G | 88.1 | Confident | 88.6 | Confident | 48 Ų | 48 | 46.7 Ų | 46.7 | 50% | 0.495 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 74.9 | -168.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | H320 | H320-G322 PolarHBondContact ND1-O 3.13Š|
| 323 | R | 92.1 | Very high | 88.8 | Confident | 38 Ų | 38 | 43.7 Ų | 43.7 | 14% | 0.143 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 143.7 | -176.4 | 177.1 | 179.2 | -75.8 | 162.4 | -3.6 | 110.7 | L266 S267 G272 H298 T299 E300 | L266-R323 PolarHBondContact O-NH2 3.45Å; S267-R323 PolarHBondContact OG-NH1 3.49Å; G272-R323 WeakPolarHBondContact O-CG 3.26Å; G272-R323 PolarHBondContact O-NE 2.98Å; H298-R323 PolarHBondContact O-N 2.56Å; T299-R323 CarbonylContact C-O 3.56Å; T299-R323 VanDerWaalsContact CA-O 3.26Å; T299-R323 WeakPolarHBondContact CA-O 3.47Å; E300-R323 PolarHBondContact N-O 3.33Å |
| 324 | R | 95.1 | Very high | 88.5 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 5% | 0.049 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 142.5 | 165.1 | -76.3 | 178.9 | 168.9 | 168.2 | -1.7 | 111.8 | D273 I274 E300 L302 R315 Q318 H320 | D273-R324 VanDerWaalsContact CA-O 3.31Å; D273-R324 WeakPolarHBondContact CA-O 3.48Å; D273-R324 HydrophobicContact CB-CB 4.31Å; D273-R324 WeakPolarHBondContact CB-O 3.25Å; D273-R324 PolarHBondContact OD1-N 3.23Å; I274-R324 PolarHBondContact N-O 3.03Å; E300-R324 HydrophobicContact CB-CG 4.18Å; E300-R324 CarbonylContact O-C 3.56Å; E300-R324 VanDerWaalsContact O-CA 3.28Å; E300-R324 WeakPolarHBondContact O-CA 3.46Å; E300-R324 IonicContact OE2-CZ 3.01Å; E300-R324 IonicContact OE2-NE 2.81Å; E300-R324 PolarHBondContact OE2-NE 2.84Å; E300-R324 IonicContact OE2-NH2 2.63Å; E300-R324 PolarHBondContact OE2-NH2 3.3Å; L302-R324 HydrophobicContact CD1-CG 4.42Å; R315-R324 PolarHBondContact O-NH1 3.29Å; Q318-R324 PolarHBondContact O-NH1 2.89Å; H320-R324 VanDerWaalsContact CB-CZ 3.43Å; H320-R324 PolarHBondContact CD2-NH1 3.46Å |
| 325 | I | 96.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 111.4 | 165.3 | -58.5 | -179 | 0 | 0 | 0 | 107.2 | V263 I274 I276 L291 L296 T299 E300 I301 L302 L327 | V263-I325 HydrophobicContact CG1-CD1 3.88Å; V263-I325 HydrophobicContact CG2-CD1 4.29Å; I274-I325 HydrophobicContact CB-CG1 4.23Å; I274-I325 HydrophobicContact CB-CG2 4.48Å; I274-I325 HydrophobicContact CD1-CD1 4.37Å; I274-I325 HydrophobicContact CD1-CG1 4.29Å; I274-I325 CarbonylContact O-C 3.57Å; I274-I325 WeakPolarHBondContact O-CA 3.45Å; I276-I325 HydrophobicContact CD1-CG2 3.53Å; I276-I325 HydrophobicContact CG1-CG2 3.89Å; L291-I325 HydrophobicContact CD1-CG2 4.17Å; L296-I325 HydrophobicContact CD1-CD1 3.98Å; T299-I325 HydrophobicContact CG2-CD1 3.76Å; T299-I325 HydrophobicContact CG2-CG1 3.75Å; E300-I325 PolarHBondContact O-N 3.43Å; I301-I325 CarbonylContact C-O 3.51Å; I301-I325 WeakPolarHBondContact CA-O 3.13Å; I301-I325 HydrophobicContact CG1-CB 4.28Å; L302-I325 PolarHBondContact N-O 2.89Å; I325-L327 HydrophobicContact CG2-CD2 4.11Å |
| 326 | V | 96 | Very high | 87.1 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 115.1 | -179.9 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | I274 L275 I276 L302 L304 V316 V338 I341 | I274-V326 PolarHBondContact O-N 3.37Å; L275-V326 CarbonylContact C-O 3.59Å; L275-V326 WeakPolarHBondContact CA-O 3.47Å; L275-V326 HydrophobicContact CD1-CB 3.97Å; L275-V326 HydrophobicContact CD1-CG1 3.93Å; I276-V326 PolarHBondContact N-O 2.83Å; L302-V326 CarbonylContact O-C 3.48Å; L302-V326 VanDerWaalsContact O-CA 3.29Å; L302-V326 WeakPolarHBondContact O-CA 3.29Å; L304-V326 HydrophobicContact CB-CG1 3.78Å; L304-V326 HydrophobicContact CD2-CG1 4.08Å; V316-V326 HydrophobicContact CG1-CG1 4.29Å; V326-V338 HydrophobicContact CG2-CG1 4.29Å; V326-I341 HydrophobicContact CG2-CD1 4.29Å |
| 327 | L | 96.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 106.2 | 176.6 | -58.2 | 179.1 | 0 | 0 | 0 | 108.9 | I276 M278 I284 T287 A288 L291 I301 L302 P303 L304 I325 | I276-L327 HydrophobicContact CB-CD2 3.63Å; I276-L327 HydrophobicContact CD1-CD2 3.7Å; I276-L327 HydrophobicContact CG1-CD2 3.91Å; I276-L327 HydrophobicContact CG2-CD2 4.19Å; I276-L327 CarbonylContact O-C 3.53Å; I276-L327 WeakPolarHBondContact O-CA 3.3Å; M278-L327 HydrophobicContact CG-CB 4.41Å; I284-L327 HydrophobicContact CB-CB 4.46Å; I284-L327 HydrophobicContact CG1-CB 4.25Å; I284-L327 HydrophobicContact CG2-CB 3.84Å; I284-L327 HydrophobicContact CG2-CD1 4.36Å; I284-L327 VanDerWaalsContact O-CD1 3.27Å; I284-L327 WeakPolarHBondContact O-CD1 3.13Å; T287-L327 HydrophobicContact CG2-CD1 4.18Å; T287-L327 HydrophobicContact CG2-CD2 4.09Å; A288-L327 HydrophobicContact CB-CD1 3.65Å; L291-L327 HydrophobicContact CD1-CD1 4.4Å; L291-L327 HydrophobicContact CD1-CD2 4Å; I301-L327 HydrophobicContact CG2-CD1 3.88Å; I301-L327 HydrophobicContact CG2-CG 4.21Å; L302-L327 PolarHBondContact O-N 3.09Å; P303-L327 CarbonylContact C-O 3.51Å; P303-L327 WeakPolarHBondContact CA-O 3.37Å; L304-L327 PolarHBondContact N-O 2.95Å; I325-L327 HydrophobicContact CG2-CD2 4.11Å |
| 328 | A | 95.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 145.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L275 I276 F277 M278 L304 A332 | L275-A328 HydrophobicContact CD1-CB 3.63Å; I276-A328 PolarHBondContact O-N 3.32Å; F277-A328 CarbonylContact C-O 3.51Å; F277-A328 WeakPolarHBondContact CA-O 3.43Å; M278-A328 PolarHBondContact N-O 2.93Å; L304-A328 HydrophobicContact CB-CB 3.9Å; L304-A328 HydrophobicContact CD2-CB 4.23Å; L304-A328 HydrophobicContact CG-CB 4.31Å; L304-A328 CarbonylContact O-C 3.45Å; L304-A328 WeakPolarHBondContact O-CA 3.49Å; A328-A332 HydrophobicContact CB-CB 3.57Å |
| 329 | T | 91.3 | Very high | 86.4 | Confident | 16 Ų | 16 | 35.5 Ų | 35.5 | 10% | 0.098 | 22% | 0.224 | C | C | . | . | trans | -76 | -178.3 | 160.9 | 53.6 | 0 | 0 | 0 | 0 | 110.5 | I284 L304 V331 A332 | I284-T329 HydrophobicContact CD1-CG2 3.82Å; L304-T329 PolarHBondContact O-N 2.86Å; T329-V331 PolarHBondContact O-N 2.88Å; T329-V331 WeakPolarHBondContact OG1-CG1 3.42Å; T329-A332 PolarHBondContact O-N 3.26Å; T329-A332 VanDerWaalsContact O-N 3.11Å | ||
| 330 | N | 88 | Confident | 86.5 | Confident | 73 Ų | 73 | 31.5 Ų | 31.5 | 39% | 0.39 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -53.9 | -6.6 | 169.9 | 67.8 | -18.2 | 0 | 0 | 0 | 114.7 | A332 E333 | N330-A332 PolarHBondContact O-N 3.07Å; N330-E333 HydrophobicContact CB-CB 4.42Å; N330-E333 WeakPolarHBondContact O-CB 3.25Å; N330-E333 PolarHBondContact O-N 3.4Å |
| 331 | V | 84.9 | Confident | 86.7 | Confident | 14 Ų | 14 | 29.2 Ų | 29.2 | 9% | 0.085 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -57.9 | -28.4 | 169.4 | 75.4 | 0 | 0 | 0 | 0 | 113.4 | L304 T329 | L304-V331 HydrophobicContact CG-CG1 3.92Å; L304-V331 VanDerWaalsContact O-CG1 3.32Å; L304-V331 WeakPolarHBondContact O-CG1 3.41Å; T329-V331 PolarHBondContact O-N 2.88Å; T329-V331 WeakPolarHBondContact OG1-CG1 3.42Å |
| 332 | A | 88 | Confident | 87.1 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -86.7 | -8.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | L275 F277 L304 A328 T329 N330 T334 R380 | L275-A332 HydrophobicContact CD1-CB 4.17Å; L275-A332 HydrophobicContact CD2-CB 4.21Å; F277-A332 HydrophobicContact CE1-CB 4.14Å; F277-A332 HydrophobicContact CZ-CB 4.39Å; L304-A332 HydrophobicContact CD2-CB 4.04Å; A328-A332 HydrophobicContact CB-CB 3.57Å; T329-A332 PolarHBondContact O-N 3.26Å; T329-A332 VanDerWaalsContact O-N 3.11Å; N330-A332 PolarHBondContact O-N 3.07Å; A332-T334 PolarHBondContact O-N 2.9Å; A332-R380 WeakPolarHBondContact O-CD 3.37Å; A332-R380 PolarHBondContact O-NE 3.18Å |
| 333 | E | 86.1 | Confident | 87.5 | Confident | 19 Ų | 19 | 22.5 Ų | 22.5 | 9% | 0.089 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -72.1 | -25.7 | -174.6 | -174.3 | 175.7 | 138.9 | 0 | 0 | 113.3 | F277 N330 S373 Q376 R377 R380 | F277-E333 HydrophobicContact CE1-CB 4.15Å; N330-E333 HydrophobicContact CB-CB 4.42Å; N330-E333 WeakPolarHBondContact O-CB 3.25Å; N330-E333 PolarHBondContact O-N 3.4Å; E333-S373 WeakPolarHBondContact OE1-CA 3.21Å; E333-S373 WeakPolarHBondContact OE1-CB 3.2Å; E333-S373 PolarHBondContact OE1-OG 3.11Å; E333-Q376 HydrophobicContact CG-CB 4.17Å; E333-R377 HydrophobicContact CG-CG 4.05Å; E333-R377 IonicContact OE2-CZ 3.33Å; E333-R377 IonicContact OE2-NE 3.55Å; E333-R377 PolarHBondContact OE2-NE 2.77Å; E333-R377 IonicContact OE2-NH2 3.68Å; E333-R380 PolarHBondContact O-NE 3.49Å; E333-R380 PolarHBondContact O-NH2 2.86Å |
| 334 | T | 75.9 | Confident | 87.8 | Confident | 5 Ų | 5 | 20.7 Ų | 20.7 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -142.3 | 155.5 | -176.6 | 61.1 | 0 | 0 | 0 | 0 | 112 | R112 H181 E182 A332 L336 | R112-T334 PolarHBondContact NE-OG1 3.49Å; R112-T334 PolarHBondContact NH2-OG1 2.73Å; R112-T334 VanDerWaalsContact NH2-OG1 3.09Å; H181-T334 WeakPolarHBondContact NE2-CG2 3.21Å; E182-T334 HydrophobicContact CG-CG2 4.46Å; E182-T334 WeakPolarHBondContact OE1-CB 3.17Å; E182-T334 PolarHBondContact OE1-OG1 3.1Å; A332-T334 PolarHBondContact O-N 2.9Å; T334-L336 PolarHBondContact O-N 3.08Å |
| 335 | S | 67.4 | Low | 87.9 | Confident | 29 Ų | 29 | 20.1 Ų | 20.1 | 20% | 0.203 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 54.2 | -20.5 | 171.2 | -30 | 0 | 0 | 0 | 0 | 119.4 | E179 | E179-S335 PolarHBondContact OE2-N 3.08Å; E179-S335 PolarHBondContact OE2-OG 2.91Å |
| 336 | L | 73.4 | Confident | 88 | Confident | 18 Ų | 18 | 20 Ų | 20 | 9% | 0.094 | 13% | 0.126 | C | C | . | . | trans | -103.2 | 124.3 | 178.5 | -161 | 75.7 | 0 | 0 | 0 | 108.7 | L114 L304 F317 T334 R380 | L114-L336 HydrophobicContact CD2-CD1 3.57Å; L114-L336 HydrophobicContact CG-CD1 4.14Å; L304-L336 HydrophobicContact CD1-CD2 4.46Å; L304-L336 HydrophobicContact CD2-CD2 4.1Å; F317-L336 HydrophobicContact CE1-CD1 4.2Å; F317-L336 HydrophobicContact CE1-CG 4.08Å; F317-L336 HydrophobicContact CE2-CD1 4.24Å; F317-L336 HydrophobicContact CZ-CD1 3.47Å; F317-L336 VanDerWaalsContact CZ-CD1 3.47Å; F317-L336 HydrophobicContact CZ-CD2 3.81Å; F317-L336 HydrophobicContact CZ-CG 3.57Å; T334-L336 PolarHBondContact O-N 3.08Å; L336-R380 PolarHBondContact O-NH1 3.26Å | ||
| 337 | T | 73.9 | Confident | 88 | Confident | 79 Ų | 79 | 20.5 Ų | 20.5 | 49% | 0.485 | 13% | 0.129 | S | C | . | . | trans | -107.6 | 107.2 | 175.9 | -56.6 | 0 | 0 | 0 | 0 | 108.5 | F317 P339 R383 | F317-T337 WeakPolarHBondContact CE1-O 3.32Å; T337-P339 WeakPolarHBondContact O-CD 3.43Å; T337-R383 VanDerWaalsContact CB-NH1 3.31Å; T337-R383 PolarHBondContact OG1-NH1 2.9Å | ||
| 338 | V | 83.7 | Confident | 87.9 | Confident | 16 Ų | 16 | 20.5 Ų | 20.5 | 10% | 0.097 | 13% | 0.129 | C | C | . | . | trans | -76.2 | 120.6 | 171.2 | -176 | 0 | 0 | 0 | 0 | 107.7 | L304 V316 V326 I341 | L304-V338 HydrophobicContact CD2-CG2 3.76Å; V316-V338 HydrophobicContact CB-CG1 4.16Å; V316-V338 HydrophobicContact CG2-CG1 4.26Å; V316-V338 HydrophobicContact CG2-CG2 4.17Å; V326-V338 HydrophobicContact CG2-CG1 4.29Å; V338-I341 HydrophobicContact CB-CD1 4.29Å; V338-I341 HydrophobicContact CB-CG1 3.72Å; V338-I341 HydrophobicContact CG1-CD1 3.87Å; V338-I341 HydrophobicContact CG1-CG1 3.8Å; V338-I341 WeakPolarHBondContact O-CG1 3.22Å | ||
| 339 | P | 83 | Confident | 87.9 | Confident | 62 Ų | 62 | 22.2 Ų | 22.2 | 40% | 0.403 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 154.4 | 177.1 | -18.7 | 30.2 | 0 | 0 | 0 | 110.9 | F317 T337 I341 | F317-P339 HydrophobicContact CD1-CG 4.27Å; T337-P339 WeakPolarHBondContact O-CD 3.43Å; P339-I341 PolarHBondContact O-N 3.29Å; P339-I341 VanDerWaalsContact O-N 3.16Å |
| 340 | G | 87.8 | Confident | 87.9 | Confident | 43 Ų | 43 | 21.8 Ų | 21.8 | 44% | 0.443 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -12.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116 | D273 K342 | D273-G340 WeakPolarHBondContact CB-O 3.38Å; D273-G340 PolarHBondContact N-O 3.32Å; D273-G340 WeakPolarHBondContact OD2-CA 3.35Å; G340-K342 PolarHBondContact O-N 3.45Å |
| 341 | I | 91.6 | Very high | 87.9 | Confident | 18 Ų | 18 | 22.3 Ų | 22.3 | 9% | 0.092 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 107.4 | 178.1 | -57 | -52 | 0 | 0 | 0 | 110.6 | D273 L275 V326 V338 P339 Y343 V344 | D273-I341 HydrophobicContact CB-CD1 3.89Å; L275-I341 HydrophobicContact CB-CD1 3.91Å; L275-I341 HydrophobicContact CB-CG1 4.24Å; L275-I341 HydrophobicContact CB-CG2 3.74Å; V326-I341 HydrophobicContact CG2-CD1 4.29Å; V338-I341 HydrophobicContact CB-CD1 4.29Å; V338-I341 HydrophobicContact CB-CG1 3.72Å; V338-I341 HydrophobicContact CG1-CD1 3.87Å; V338-I341 HydrophobicContact CG1-CG1 3.8Å; V338-I341 WeakPolarHBondContact O-CG1 3.22Å; P339-I341 PolarHBondContact O-N 3.29Å; P339-I341 VanDerWaalsContact O-N 3.16Å; I341-Y343 WeakPolarHBondContact CG2-O 3.39Å; I341-V344 HydrophobicContact CG2-CG2 4.3Å |
| 342 | K | 93.6 | Very high | 88 | Confident | 24 Ų | 24 | 22.4 Ų | 22.4 | 10% | 0.104 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -26.4 | 172.9 | -166 | 172.1 | -174.6 | 170 | 0 | 111.4 | S270 D273 G340 C381 E386 G387 I388 | S270-K342 WeakPolarHBondContact OG-CE 3.45Å; S270-K342 PolarHBondContact OG-NZ 3.24Å; D273-K342 PolarHBondContact O-N 3.35Å; G340-K342 PolarHBondContact O-N 3.45Å; K342-C381 WeakPolarHBondContact O-CB 3.33Å; K342-E386 WeakPolarHBondContact CE-O 2.96Å; K342-E386 WeakPolarHBondContact CE-OE1 3.34Å; K342-E386 WeakPolarHBondContact CG-O 3.4Å; K342-E386 IonicContact NZ-OE1 2.79Å; K342-E386 PolarHBondContact NZ-OE1 3.47Å; K342-G387 WeakPolarHBondContact O-CA 3.41Å; K342-I388 PolarHBondContact O-N 3.25Å |
| 343 | Y | 97.4 | Very high | 87.8 | Confident | 3 Ų | 3 | 23.9 Ų | 23.9 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 147.8 | -175.3 | -53.4 | -58.8 | 0 | 0 | 0 | 112.5 | L266 E269 S270 D273 I274 L275 I341 I388 | L266-Y343 HydrophobicContact CD1-CG 4.33Å; L266-Y343 HydrophobicContact CD2-CD1 3.73Å; L266-Y343 HydrophobicContact CD2-CE1 4.3Å; L266-Y343 HydrophobicContact CD2-CG 3.85Å; L266-Y343 HydrophobicContact CG-CG 4.46Å; E269-Y343 HydrophobicContact CB-CE1 4.27Å; E269-Y343 HydrophobicContact CB-CE2 4.43Å; E269-Y343 VanDerWaalsContact CB-OH 3.29Å; E269-Y343 WeakPolarHBondContact CB-OH 3.43Å; S270-Y343 PolarHBondContact N-OH 3.06Å; S270-Y343 VanDerWaalsContact O-CE2 3.31Å; S270-Y343 WeakPolarHBondContact O-CE2 3.43Å; S270-Y343 PolarHBondContact O-OH 3.32Å; S270-Y343 PolarHBondContact OG-OH 3.31Å; D273-Y343 PolarHBondContact O-N 3.44Å; I274-Y343 CarbonylContact C-O 3.55Å; I274-Y343 WeakPolarHBondContact CA-O 3.4Å; I274-Y343 HydrophobicContact CG1-CD2 4.23Å; L275-Y343 PolarHBondContact N-O 2.96Å; I341-Y343 WeakPolarHBondContact CG2-O 3.39Å; Y343-I388 VanDerWaalsContact CA-O 3.31Å; Y343-I388 WeakPolarHBondContact CA-O 3.47Å; Y343-I388 HydrophobicContact CD1-CB 3.74Å; Y343-I388 HydrophobicContact CD1-CD1 4.26Å; Y343-I388 HydrophobicContact CD1-CG1 4.18Å; Y343-I388 HydrophobicContact CE1-CB 4.06Å; Y343-I388 HydrophobicContact CE1-CD1 3.75Å; Y343-I388 HydrophobicContact CE1-CG1 3.96Å |
| 344 | V | 97.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 134.5 | 176.3 | 173.2 | 0 | 0 | 0 | 0 | 109.4 | L275 F277 I341 D346 R380 C381 I388 C389 I390 | L275-V344 HydrophobicContact CB-CG2 4.37Å; L275-V344 CarbonylContact O-C 3.57Å; L275-V344 VanDerWaalsContact O-CA 3.29Å; L275-V344 WeakPolarHBondContact O-CA 3.48Å; F277-V344 HydrophobicContact CD2-CG1 4.08Å; F277-V344 HydrophobicContact CE2-CG1 3.98Å; I341-V344 HydrophobicContact CG2-CG2 4.3Å; V344-D346 HydrophobicContact CG1-CB 4.37Å; V344-R380 HydrophobicContact CG2-CB 4.08Å; V344-C381 HydrophobicContact CG2-CB 3.92Å; V344-I388 PolarHBondContact N-O 3.27Å; V344-C389 HydrophobicContact CB-CB 4.37Å; V344-C389 CarbonylContact O-C 3.57Å; V344-C389 WeakPolarHBondContact O-CA 3.27Å; V344-I390 PolarHBondContact O-N 3.42Å |
| 345 | I | 98.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 118.5 | 165.2 | -58.4 | 173.4 | 0 | 0 | 0 | 107 | A262 V263 L266 I274 L275 I276 F277 I390 L392 | A262-I345 HydrophobicContact CB-CD1 3.72Å; A262-I345 HydrophobicContact CB-CG1 4.12Å; A262-I345 HydrophobicContact CB-CG2 4.24Å; V263-I345 HydrophobicContact CG2-CD1 3.65Å; L266-I345 HydrophobicContact CD1-CD1 3.95Å; L266-I345 HydrophobicContact CD1-CG1 3.72Å; I274-I345 HydrophobicContact CG2-CD1 3.8Å; I274-I345 HydrophobicContact CG2-CG1 3.92Å; L275-I345 PolarHBondContact O-N 3.33Å; I276-I345 WeakPolarHBondContact CA-O 3.46Å; I276-I345 HydrophobicContact CB-CB 4.37Å; I276-I345 HydrophobicContact CD1-CD1 3.84Å; I276-I345 HydrophobicContact CG1-CB 4.09Å; I276-I345 HydrophobicContact CG1-CD1 4.04Å; I276-I345 HydrophobicContact CG1-CG1 4.4Å; I276-I345 HydrophobicContact CG2-CB 4.08Å; I276-I345 HydrophobicContact CG2-CG2 4.17Å; F277-I345 PolarHBondContact N-O 3.35Å; I345-I390 CarbonylContact C-O 3.52Å; I345-I390 WeakPolarHBondContact CA-O 3.11Å; I345-L392 HydrophobicContact CG2-CD1 4.02Å; I345-L392 HydrophobicContact CG2-CD2 4.32Å; I345-L392 HydrophobicContact CG2-CG 4.12Å |
| 346 | D | 97.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 104.2 | -178 | -178.4 | 30.8 | 0 | 0 | 0 | 110.4 | V344 G348 R377 I390 R391 L392 Y393 | V344-D346 HydrophobicContact CG1-CB 4.37Å; D346-G348 PolarHBondContact O-N 3.23Å; D346-G348 WeakPolarHBondContact OD1-CA 3.28Å; D346-G348 PolarHBondContact OD1-N 3.49Å; D346-R377 VanDerWaalsContact OD1-CD 3.25Å; D346-R377 WeakPolarHBondContact OD1-CD 3.28Å; D346-R377 IonicContact OD1-CZ 2.81Å; D346-R377 IonicContact OD1-NE 3.68Å; D346-R377 IonicContact OD1-NH1 3.03Å; D346-R377 PolarHBondContact OD1-NH1 3.41Å; D346-I390 PolarHBondContact N-O 3.05Å; D346-R391 WeakPolarHBondContact O-CA 3.32Å; D346-L392 PolarHBondContact O-N 3.23Å; D346-Y393 VanDerWaalsContact O-CE1 3.26Å; D346-Y393 WeakPolarHBondContact O-CE1 3.36Å; D346-Y393 PolarHBondContact OD2-OH 3.04Å |
| 347 | P | 96.1 | Very high | 88.4 | Confident | 11 Ų | 11 | 28.5 Ų | 28.5 | 7% | 0.071 | 16% | 0.158 | C | C | . | . | trans | -67.1 | -10.8 | 168.3 | -20.9 | 33.7 | 0 | 0 | 0 | 113.9 | Q255 F277 T349 L392 | Q255-P347 VanDerWaalsContact NE2-CB 3.29Å; F277-P347 WeakPolarHBondContact O-CD 3.47Å; F277-P347 VanDerWaalsContact O-CG 3.23Å; F277-P347 WeakPolarHBondContact O-CG 3.44Å; P347-T349 VanDerWaalsContact C-N 3.31Å; P347-T349 PolarHBondContact O-N 3.07Å; P347-L392 HydrophobicContact CB-CD1 4.44Å; P347-L392 HydrophobicContact CG-CD1 4.15Å | ||
| 348 | G | 95.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | 78.5 | 9.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D346 P368 I369 R401 | D346-G348 PolarHBondContact O-N 3.23Å; D346-G348 WeakPolarHBondContact OD1-CA 3.28Å; D346-G348 PolarHBondContact OD1-N 3.49Å; G348-P368 WeakPolarHBondContact O-CA 3.24Å; G348-I369 WeakPolarHBondContact O-CG1 3.32Å; G348-I369 PolarHBondContact O-N 2.83Å; G348-R401 PolarHBondContact O-NH1 3.24Å | ||
| 349 | T | 94.5 | Very high | 87.4 | Confident | 35 Ų | 35 | 37 Ų | 37 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 156.7 | 177 | 58.5 | 0 | 0 | 0 | 0 | 112.1 | S279 P347 I366 E367 R377 | S279-T349 PolarHBondContact OG-OG1 3.33Å; P347-T349 VanDerWaalsContact C-N 3.31Å; P347-T349 PolarHBondContact O-N 3.07Å; T349-I366 HydrophobicContact CG2-CG2 4.28Å; T349-E367 WeakPolarHBondContact CA-O 3.22Å; T349-R377 PolarHBondContact O-NH1 3.25Å; T349-R377 PolarHBondContact O-NH2 2.94Å |
| 350 | A | 91.7 | Very high | 86.8 | Confident | 7 Ų | 7 | 36.1 Ų | 36.1 | 6% | 0.058 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 157.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111 | I352 I366 E367 I369 | A350-I352 PolarHBondContact O-N 3.1Å; A350-I366 WeakPolarHBondContact O-CA 3.34Å; A350-E367 PolarHBondContact N-O 3.12Å; A350-E367 PolarHBondContact O-N 3.31Å; A350-I369 HydrophobicContact CB-CG2 3.59Å |
| 351 | R | 88.7 | Confident | 85.9 | Confident | 84 Ų | 84 | 34.3 Ų | 34.3 | 32% | 0.317 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 116 | 164.1 | -76.2 | 179.5 | -146.6 | -83.6 | 0.4 | 110.1 | S279 E283 P365 I366 | S279-R351 WeakPolarHBondContact O-CD 3.36Å; S279-R351 VanDerWaalsContact O-CG 3.25Å; S279-R351 WeakPolarHBondContact O-CG 3.16Å; S279-R351 PolarHBondContact O-NE 2.83Å; S279-R351 VanDerWaalsContact O-NE 3.17Å; E283-R351 IonicContact OE1-CZ 2.62Å; E283-R351 IonicContact OE1-NH2 2.83Å; E283-R351 PolarHBondContact OE1-NH2 3.03Å; E283-R351 IonicContact OE2-CZ 3.86Å; E283-R351 IonicContact OE2-NH2 3.67Å; E283-R351 PolarHBondContact OE2-NH2 2.72Å; R351-P365 WeakPolarHBondContact CA-O 3.44Å; R351-I366 HydrophobicContact CG-CG1 3.77Å |
| 352 | I | 86.1 | Confident | 85.3 | Confident | 17 Ų | 17 | 37.3 Ų | 37.3 | 9% | 0.087 | 17% | 0.173 | C | C | . | . | trans | -108.3 | 130.4 | 178.2 | -57.1 | -179.1 | 0 | 0 | 0 | 108.6 | A350 R354 P365 E367 T405 | A350-I352 PolarHBondContact O-N 3.1Å; I352-R354 PolarHBondContact O-N 2.7Å; I352-P365 PolarHBondContact N-O 2.98Å; I352-P365 VanDerWaalsContact N-O 3.11Å; I352-P365 WeakPolarHBondContact O-CD 3.37Å; I352-E367 HydrophobicContact CD1-CB 4.22Å; I352-T405 HydrophobicContact CD1-CG2 4.36Å | ||
| 353 | S | 84.6 | Confident | 84.5 | Confident | 31 Ų | 31 | 41.2 Ų | 41.2 | 22% | 0.217 | 19% | 0.187 | C | C | . | . | trans | -72.5 | 123.6 | 175.4 | -167.9 | 0 | 0 | 0 | 0 | 110.6 | Q362 R411 | S353-Q362 PolarHBondContact OG-NE2 3.04Å; S353-R411 PolarHBondContact O-NH1 3.07Å | ||
| 354 | R | 85.6 | Confident | 83.8 | Confident | 50 Ų | 50 | 44.1 Ų | 44.1 | 19% | 0.189 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 124.7 | 179.7 | -61.8 | -66.8 | -175.5 | -175.2 | -5.9 | 109.7 | I352 R363 P365 E367 D406 | I352-R354 PolarHBondContact O-N 2.7Å; R354-R363 PolarHBondContact N-O 3.34Å; R354-R363 PolarHBondContact O-N 3.49Å; R354-P365 HydrophobicContact CB-CG 4.46Å; R354-P365 HydrophobicContact CG-CG 3.85Å; R354-E367 IonicContact CZ-OE2 3.91Å; R354-E367 IonicContact NE-OE1 2.79Å; R354-E367 IonicContact NE-OE2 3.73Å; R354-E367 PolarHBondContact NE-OE2 3.21Å; R354-E367 IonicContact NH2-OE2 3.87Å; R354-E367 PolarHBondContact NH2-OE2 3.01Å; R354-D406 IonicContact CZ-OD2 3.65Å; R354-D406 IonicContact NH1-OD2 2.87Å; R354-D406 PolarHBondContact NH1-OD2 2.85Å; R354-D406 IonicContact NH2-OD2 3.7Å |
| 355 | Y | 82.9 | Confident | 83.1 | Confident | 37 Ų | 37 | 46.1 Ų | 46.1 | 15% | 0.145 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 132.5 | 172.8 | -176.9 | -105 | 0 | 0 | 0 | 111.2 | K360 R411 N413 D445 | Y355-K360 WeakPolarHBondContact OH-CA 3.09Å; Y355-K360 WeakPolarHBondContact OH-CD 3.19Å; Y355-R411 WeakPolarHBondContact CB-O 3.31Å; Y355-R411 PolarHBondContact N-O 3.03Å; Y355-N413 HydrophobicContact CD1-CB 4.38Å; Y355-N413 HydrophobicContact CD2-CB 4.38Å; Y355-N413 HydrophobicContact CE1-CB 4.13Å; Y355-N413 HydrophobicContact CE2-CB 4.12Å; Y355-N413 HydrophobicContact CG-CB 4.5Å; Y355-N413 PolarHBondContact OH-ND2 3.17Å; Y355-N413 VanDerWaalsContact OH-ND2 3.11Å; Y355-D445 WeakPolarHBondContact CE1-OD2 3.06Å; Y355-D445 PolarHBondContact OH-OD2 2.99Å |
| 356 | S | 76.6 | Confident | 82.6 | Confident | 24 Ų | 24 | 49.6 Ų | 49.6 | 17% | 0.168 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 110.9 | 172.8 | 168.8 | 0 | 0 | 0 | 0 | 109.8 | R358 T359 K360 V361 | S356-R358 PolarHBondContact O-N 3.23Å; S356-R358 PolarHBondContact OG-N 3.46Å; S356-T359 WeakPolarHBondContact CB-OG1 3.47Å; S356-T359 PolarHBondContact O-N 3.29Å; S356-T359 PolarHBondContact OG-N 3.12Å; S356-T359 PolarHBondContact OG-OG1 2.81Å; S356-K360 WeakPolarHBondContact O-CA 3.33Å; S356-K360 PolarHBondContact O-N 3.4Å; S356-V361 PolarHBondContact N-O 3.2Å |
| 357 | Y | 70.1 | Confident | 82.3 | Confident | 57 Ų | 57 | 52.2 Ų | 52.2 | 22% | 0.224 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18.5 | 174.1 | 70.8 | -94.6 | 0 | 0 | 0 | 112.8 | K360 R441 | Y357-K360 WeakPolarHBondContact O-CD 3.17Å; Y357-K360 VanDerWaalsContact O-CE 3.26Å; Y357-K360 WeakPolarHBondContact O-CE 3.49Å; Y357-K360 PolarHBondContact O-NZ 2.83Å; Y357-R441 HydrophobicContact CD2-CB 4.43Å; Y357-R441 HydrophobicContact CE1-CB 4.46Å; Y357-R441 HydrophobicContact CE2-CB 4.38Å; Y357-R441 PolarHBondContact OH-NH1 3.47Å |
| 358 | R | 68.8 | Low | 82.2 | Confident | 194 Ų | 194 | 55.5 Ų | 55.5 | 73% | 0.732 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -49.5 | 178.4 | -68.9 | -174.4 | -178.9 | 175.3 | -1.9 | 111.3 | S356 | S356-R358 PolarHBondContact O-N 3.23Å; S356-R358 PolarHBondContact OG-N 3.46Å |
| 359 | T | 66.7 | Low | 82.1 | Confident | 81 Ų | 81 | 55.6 Ų | 55.6 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -13.9 | -178.1 | 55.7 | 0 | 0 | 0 | 0 | 112.4 | S356 V361 | S356-T359 WeakPolarHBondContact CB-OG1 3.47Å; S356-T359 PolarHBondContact O-N 3.29Å; S356-T359 PolarHBondContact OG-N 3.12Å; S356-T359 PolarHBondContact OG-OG1 2.81Å; T359-V361 PolarHBondContact O-N 3.15Å |
| 360 | K | 71.6 | Confident | 82.1 | Confident | 43 Ų | 43 | 54.2 Ų | 54.2 | 19% | 0.187 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 21.1 | -170.3 | -47 | -61 | -177.2 | -159.8 | 0 | 113.3 | Y355 S356 Y357 D445 | Y355-K360 WeakPolarHBondContact OH-CA 3.09Å; Y355-K360 WeakPolarHBondContact OH-CD 3.19Å; S356-K360 WeakPolarHBondContact O-CA 3.33Å; S356-K360 PolarHBondContact O-N 3.4Å; Y357-K360 WeakPolarHBondContact O-CD 3.17Å; Y357-K360 VanDerWaalsContact O-CE 3.26Å; Y357-K360 WeakPolarHBondContact O-CE 3.49Å; Y357-K360 PolarHBondContact O-NZ 2.83Å; K360-D445 WeakPolarHBondContact CD-OD1 3.43Å; K360-D445 WeakPolarHBondContact CE-OD1 3.44Å; K360-D445 VanDerWaalsContact NZ-CG 3.32Å; K360-D445 IonicContact NZ-OD1 2.66Å; K360-D445 PolarHBondContact NZ-OD1 3.49Å |
| 361 | V | 69.1 | Low | 82.2 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 137.7 | -175.8 | 172.7 | 0 | 0 | 0 | 0 | 109.7 | S356 T359 R363 E656 L660 | S356-V361 PolarHBondContact N-O 3.2Å; T359-V361 PolarHBondContact O-N 3.15Å; V361-R363 HydrophobicContact CG1-CG 4.14Å; V361-E656 HydrophobicContact CG1-CB 4.05Å; V361-L660 HydrophobicContact CB-CD1 4.44Å; V361-L660 HydrophobicContact CG1-CD1 3.57Å; V361-L660 HydrophobicContact CG2-CD1 3.92Å; V361-L660 HydrophobicContact CG2-CD2 4.19Å |
| 362 | Q | 77.4 | Confident | 82.2 | Confident | 80 Ų | 80 | 52.6 Ų | 52.6 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 122.8 | 166.4 | -168.1 | 172.4 | 25.2 | 0 | 0 | 109.5 | S353 E656 | S353-Q362 PolarHBondContact OG-NE2 3.04Å; Q362-E656 PolarHBondContact O-N 2.99Å |
| 363 | R | 78.1 | Confident | 82.5 | Confident | 107 Ų | 107 | 52.6 Ų | 52.6 | 40% | 0.404 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 147.9 | 178.8 | -51.6 | -168.7 | -69 | 175.1 | -1.2 | 109.2 | R354 V361 P365 E656 | R354-R363 PolarHBondContact N-O 3.34Å; R354-R363 PolarHBondContact O-N 3.49Å; V361-R363 HydrophobicContact CG1-CG 4.14Å; R363-P365 WeakPolarHBondContact O-CD 3.4Å; R363-E656 HydrophobicContact CB-CB 4.42Å; R363-E656 WeakPolarHBondContact CD-OE2 3.21Å; R363-E656 HydrophobicContact CG-CB 3.95Å; R363-E656 WeakPolarHBondContact CG-OE2 3.48Å |
| 364 | L | 82.4 | Confident | 82.9 | Confident | 64 Ų | 64 | 51.1 Ų | 51.1 | 34% | 0.335 | 25% | 0.247 | S | C | . | . | trans | -123.3 | 59.7 | 174.7 | -69.6 | 163 | 0 | 0 | 0 | 110.2 | V655 | L364-V655 HydrophobicContact CD1-CG1 4.3Š| ||
| 365 | P | 83.2 | Confident | 83.2 | Confident | 41 Ų | 41 | 51.3 Ų | 51.3 | 27% | 0.266 | 25% | 0.252 | S | S | . | . | trans | -61.6 | 151.3 | 177.8 | 29.5 | -37.3 | 0 | 0 | 0 | 111 | R351 I352 R354 R363 E367 | R351-P365 WeakPolarHBondContact CA-O 3.44Å; I352-P365 PolarHBondContact N-O 2.98Å; I352-P365 VanDerWaalsContact N-O 3.11Å; I352-P365 WeakPolarHBondContact O-CD 3.37Å; R354-P365 HydrophobicContact CB-CG 4.46Å; R354-P365 HydrophobicContact CG-CG 3.85Å; R363-P365 WeakPolarHBondContact O-CD 3.4Å; P365-E367 HydrophobicContact CB-CG 4.12Å; P365-E367 HydrophobicContact CG-CG 4.11Å; P365-E367 VanDerWaalsContact CG-OE1 3.22Å; P365-E367 WeakPolarHBondContact CG-OE1 3.45Å | ||
| 366 | I | 86.8 | Confident | 83.4 | Confident | 74 Ų | 74 | 50.2 Ų | 50.2 | 38% | 0.379 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 120.7 | 165.9 | -60.3 | 175.5 | 0 | 0 | 0 | 106.3 | S279 T349 A350 R351 | S279-I366 WeakPolarHBondContact OG-CG2 3.49Å; T349-I366 HydrophobicContact CG2-CG2 4.28Å; A350-I366 WeakPolarHBondContact O-CA 3.34Å; R351-I366 HydrophobicContact CG-CG1 3.77Å |
| 367 | E | 90.6 | Very high | 84.2 | Confident | 54 Ų | 54 | 49 Ų | 49 | 25% | 0.252 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 155.7 | -177.7 | -67.2 | 175.6 | 178.5 | 0 | 0 | 109.7 | T349 A350 I352 R354 P365 I369 | T349-E367 WeakPolarHBondContact CA-O 3.22Å; A350-E367 PolarHBondContact N-O 3.12Å; A350-E367 PolarHBondContact O-N 3.31Å; I352-E367 HydrophobicContact CD1-CB 4.22Å; R354-E367 IonicContact CZ-OE2 3.91Å; R354-E367 IonicContact NE-OE1 2.79Å; R354-E367 IonicContact NE-OE2 3.73Å; R354-E367 PolarHBondContact NE-OE2 3.21Å; R354-E367 IonicContact NH2-OE2 3.87Å; R354-E367 PolarHBondContact NH2-OE2 3.01Å; P365-E367 HydrophobicContact CB-CG 4.12Å; P365-E367 HydrophobicContact CG-CG 4.11Å; P365-E367 VanDerWaalsContact CG-OE1 3.22Å; P365-E367 WeakPolarHBondContact CG-OE1 3.45Å; E367-I369 PolarHBondContact O-N 2.6Å |
| 368 | P | 94 | Very high | 85.2 | Confident | 80 Ų | 80 | 49.3 Ų | 49.3 | 52% | 0.519 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 135 | 167 | -23.7 | 34.6 | 0 | 0 | 0 | 111.2 | G348 | G348-P368 WeakPolarHBondContact O-CA 3.24Å |
| 369 | I | 95.2 | Very high | 86 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -73.6 | 154.1 | 175 | 68.2 | -176.5 | 0 | 0 | 0 | 111.1 | G348 A350 E367 A374 R377 R401 | G348-I369 WeakPolarHBondContact O-CG1 3.32Å; G348-I369 PolarHBondContact O-N 2.83Å; A350-I369 HydrophobicContact CB-CG2 3.59Å; E367-I369 PolarHBondContact O-N 2.6Å; I369-A374 HydrophobicContact CD1-CB 3.83Å; I369-A374 HydrophobicContact CG1-CB 4.11Å; I369-R377 HydrophobicContact CD1-CG 4.49Å; I369-R401 WeakPolarHBondContact O-CD 3.45Å; I369-R401 PolarHBondContact O-NH1 3.17Å |
| 370 | S | 93.7 | Very high | 87 | Confident | 6 Ų | 6 | 37.5 Ų | 37.5 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 163.9 | 173.6 | 59.8 | 0 | 0 | 0 | 0 | 113 | A372 S373 A374 P402 T405 | S370-A372 VanDerWaalsContact C-N 3.27Å; S370-A372 PolarHBondContact O-N 3.02Å; S370-S373 PolarHBondContact O-N 2.85Å; S370-S373 PolarHBondContact OG-N 3.01Å; S370-A374 PolarHBondContact O-N 3.47Å; S370-P402 CarbonylContact C-O 3.53Å; S370-P402 VanDerWaalsContact CA-O 3.3Å; S370-P402 WeakPolarHBondContact CA-O 3.46Å; S370-P402 VanDerWaalsContact CB-O 3.27Å; S370-P402 WeakPolarHBondContact CB-O 3.18Å; S370-T405 PolarHBondContact OG-N 3.01Å; S370-T405 PolarHBondContact OG-OG1 3.27Å |
| 371 | Q | 94.4 | Very high | 87.8 | Confident | 45 Ų | 45 | 35.5 Ų | 35.5 | 21% | 0.21 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58 | -41.8 | 175.2 | -61.6 | -173.2 | 25.1 | 0 | 0 | 111.6 | A374 N375 F398 L399 R401 P402 | Q371-A374 PolarHBondContact O-N 3.4Å; Q371-N375 WeakPolarHBondContact O-CB 3.44Å; Q371-N375 VanDerWaalsContact O-CG 3.29Å; Q371-N375 PolarHBondContact O-N 3.04Å; Q371-N375 PolarHBondContact O-ND2 3.2Å; Q371-F398 HydrophobicContact CB-CE2 3.89Å; Q371-F398 HydrophobicContact CB-CZ 4.11Å; Q371-F398 HydrophobicContact CG-CD2 4.43Å; Q371-F398 HydrophobicContact CG-CE2 4.06Å; Q371-F398 HydrophobicContact CG-CZ 4.3Å; Q371-F398 WeakPolarHBondContact CG-O 3.4Å; Q371-L399 PolarHBondContact NE2-O 3.34Å; Q371-L399 VanDerWaalsContact NE2-O 3.14Å; Q371-R401 HydrophobicContact CG-CB 4.17Å; Q371-R401 PolarHBondContact NE2-O 3.19Å; Q371-P402 PolarHBondContact N-O 3.23Å |
| 372 | A | 89.3 | Confident | 88.4 | Confident | 12 Ų | 12 | 35.3 Ų | 35.3 | 10% | 0.099 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.1 | -48.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | S370 A374 N375 Q376 E403 F404 | S370-A372 VanDerWaalsContact C-N 3.27Å; S370-A372 PolarHBondContact O-N 3.02Å; A372-A374 PolarHBondContact O-N 2.96Å; A372-N375 PolarHBondContact O-N 3.48Å; A372-Q376 WeakPolarHBondContact O-CG 3.31Å; A372-Q376 PolarHBondContact O-N 2.86Å; A372-E403 WeakPolarHBondContact CB-O 3.33Å; A372-E403 PolarHBondContact N-O 2.89Å; A372-F404 HydrophobicContact CB-CD1 3.66Å; A372-F404 HydrophobicContact CB-CE1 4.01Å |
| 373 | S | 91.2 | Very high | 88.4 | Confident | 16 Ų | 16 | 33.9 Ų | 33.9 | 11% | 0.112 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 176.1 | -80.9 | 0 | 0 | 0 | 0 | 111.9 | E333 S370 N375 Q376 R377 | E333-S373 WeakPolarHBondContact OE1-CA 3.21Å; E333-S373 WeakPolarHBondContact OE1-CB 3.2Å; E333-S373 PolarHBondContact OE1-OG 3.11Å; S370-S373 PolarHBondContact O-N 2.85Å; S370-S373 PolarHBondContact OG-N 3.01Å; S373-N375 VanDerWaalsContact C-N 3.28Å; S373-N375 PolarHBondContact O-N 2.94Å; S373-Q376 PolarHBondContact O-N 2.83Å; S373-Q376 VanDerWaalsContact O-N 3.13Å; S373-R377 WeakPolarHBondContact O-CG 3.38Å; S373-R377 PolarHBondContact O-N 3.05Å |
| 374 | A | 93.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.6 | -36.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I369 S370 Q371 A372 K378 R391 Y393 F398 | I369-A374 HydrophobicContact CD1-CB 3.83Å; I369-A374 HydrophobicContact CG1-CB 4.11Å; S370-A374 PolarHBondContact O-N 3.47Å; Q371-A374 PolarHBondContact O-N 3.4Å; A372-A374 PolarHBondContact O-N 2.96Å; A374-K378 WeakPolarHBondContact O-CB 3.33Å; A374-K378 PolarHBondContact O-N 2.97Å; A374-R391 PolarHBondContact O-NH2 2.79Å; A374-Y393 WeakPolarHBondContact CB-OH 3.48Å; A374-F398 HydrophobicContact CB-CD2 4.09Å; A374-F398 HydrophobicContact CB-CE2 3.81Å |
| 375 | N | 91 | Very high | 88.3 | Confident | 55 Ų | 55 | 33.2 Ų | 33.2 | 29% | 0.294 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -71.9 | -34.2 | 175.1 | -73.4 | -29.9 | 0 | 0 | 0 | 112.4 | Q371 A372 S373 K378 G379 R391 | Q371-N375 WeakPolarHBondContact O-CB 3.44Å; Q371-N375 VanDerWaalsContact O-CG 3.29Å; Q371-N375 PolarHBondContact O-N 3.04Å; Q371-N375 PolarHBondContact O-ND2 3.2Å; A372-N375 PolarHBondContact O-N 3.48Å; S373-N375 VanDerWaalsContact C-N 3.28Å; S373-N375 PolarHBondContact O-N 2.94Å; N375-K378 WeakPolarHBondContact O-CB 3.46Å; N375-K378 PolarHBondContact O-N 2.8Å; N375-G379 PolarHBondContact O-N 3.2Å; N375-R391 PolarHBondContact OD1-NH2 2.68Å; N375-R391 VanDerWaalsContact OD1-NH2 3.11Å |
| 376 | Q | 88.2 | Confident | 88.5 | Confident | 13 Ų | 13 | 35.6 Ų | 35.6 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.6 | -36.7 | 172.9 | -72.1 | -173.4 | 8.9 | 0 | 0 | 112.9 | H181 T212 E333 A372 S373 G379 R380 | H181-Q376 PolarHBondContact CD2-NE2 2.97Å; H181-Q376 PolarHBondContact NE2-NE2 3.42Å; T212-Q376 HydrophobicContact CG2-CG 3.73Å; T212-Q376 PolarHBondContact OG1-NE2 3.36Å; E333-Q376 HydrophobicContact CG-CB 4.17Å; A372-Q376 WeakPolarHBondContact O-CG 3.31Å; A372-Q376 PolarHBondContact O-N 2.86Å; S373-Q376 PolarHBondContact O-N 2.83Å; S373-Q376 VanDerWaalsContact O-N 3.13Å; Q376-G379 PolarHBondContact O-N 3.1Å; Q376-R380 WeakPolarHBondContact O-CG 3.4Å; Q376-R380 PolarHBondContact O-N 3.34Å; Q376-R380 PolarHBondContact O-NE 3.12Å |
| 377 | R | 92.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.7 | -47.2 | 172.3 | -69.2 | -174.3 | 179.2 | -168.4 | -2.9 | 111.1 | F277 E333 D346 T349 I369 S373 G379 R380 | F277-R377 VanDerWaalsContact CB-NH1 3.33Å; F277-R377 HydrophobicContact CD1-CG 4.2Å; F277-R377 HydrophobicContact CD2-CB 3.99Å; F277-R377 HydrophobicContact CD2-CG 3.85Å; F277-R377 HydrophobicContact CE1-CG 3.9Å; F277-R377 HydrophobicContact CE2-CB 3.53Å; F277-R377 HydrophobicContact CE2-CG 3.52Å; F277-R377 HydrophobicContact CG-CG 4.18Å; F277-R377 HydrophobicContact CZ-CB 3.97Å; F277-R377 HydrophobicContact CZ-CG 3.55Å; E333-R377 HydrophobicContact CG-CG 4.05Å; E333-R377 IonicContact OE2-CZ 3.33Å; E333-R377 IonicContact OE2-NE 3.55Å; E333-R377 PolarHBondContact OE2-NE 2.77Å; E333-R377 IonicContact OE2-NH2 3.68Å; D346-R377 VanDerWaalsContact OD1-CD 3.25Å; D346-R377 WeakPolarHBondContact OD1-CD 3.28Å; D346-R377 IonicContact OD1-CZ 2.81Å; D346-R377 IonicContact OD1-NE 3.68Å; D346-R377 IonicContact OD1-NH1 3.03Å; D346-R377 PolarHBondContact OD1-NH1 3.41Å; T349-R377 PolarHBondContact O-NH1 3.25Å; T349-R377 PolarHBondContact O-NH2 2.94Å; I369-R377 HydrophobicContact CD1-CG 4.49Å; S373-R377 WeakPolarHBondContact O-CG 3.38Å; S373-R377 PolarHBondContact O-N 3.05Å; R377-G379 VanDerWaalsContact C-N 3.3Å; R377-G379 PolarHBondContact O-N 3.42Å; R377-R380 VanDerWaalsContact O-CB 3.28Å; R377-R380 WeakPolarHBondContact O-CB 3.41Å; R377-R380 WeakPolarHBondContact O-CG 3.5Å; R377-R380 PolarHBondContact O-N 2.86Å |
| 378 | K | 91.2 | Very high | 89.1 | Confident | 63 Ų | 63 | 30.2 Ų | 30.2 | 27% | 0.274 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -52.6 | -48.2 | 171.1 | -179.2 | -170.7 | 71.9 | 177.8 | 0 | 111.2 | V237 V239 A374 N375 R380 C381 C389 | V237-K378 HydrophobicContact CB-CD 4.49Å; V237-K378 HydrophobicContact CB-CG 4.17Å; V237-K378 HydrophobicContact CG1-CD 4.22Å; V237-K378 HydrophobicContact CG1-CG 3.6Å; V239-K378 HydrophobicContact CG2-CD 3.44Å; V239-K378 VanDerWaalsContact CG2-CD 3.44Å; V239-K378 HydrophobicContact CG2-CG 4.2Å; A374-K378 WeakPolarHBondContact O-CB 3.33Å; A374-K378 PolarHBondContact O-N 2.97Å; N375-K378 WeakPolarHBondContact O-CB 3.46Å; N375-K378 PolarHBondContact O-N 2.8Å; K378-R380 PolarHBondContact O-N 3.3Å; K378-C381 PolarHBondContact O-N 3.29Å; K378-C381 VanDerWaalsContact O-N 3.13Å; K378-C381 PolarHBondContact O-SG 3.1Å; K378-C389 HydrophobicContact CB-CB 4.31Å; K378-C389 HydrophobicContact CG-CB 3.86Å |
| 379 | G | 86.7 | Confident | 89.3 | Confident | 17 Ų | 17 | 26.4 Ų | 26.4 | 18% | 0.175 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 4.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116 | N375 Q376 R377 C381 R383 | N375-G379 PolarHBondContact O-N 3.2Å; Q376-G379 PolarHBondContact O-N 3.1Å; R377-G379 VanDerWaalsContact C-N 3.3Å; R377-G379 PolarHBondContact O-N 3.42Å; G379-C381 CarbonylContact C-O 3.54Å; G379-R383 PolarHBondContact O-NE 3.45Å |
| 380 | R | 87.8 | Confident | 89.5 | Confident | 10 Ų | 10 | 26.2 Ų | 26.2 | 4% | 0.038 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -27.4 | 168.3 | -58.5 | -62.5 | 141.4 | 175.6 | -14.4 | 112.4 | L275 F277 A332 E333 L336 V344 Q376 R377 K378 | L275-R380 HydrophobicContact CD2-CB 3.84Å; L275-R380 HydrophobicContact CD2-CG 4.09Å; F277-R380 HydrophobicContact CZ-CG 4.19Å; A332-R380 WeakPolarHBondContact O-CD 3.37Å; A332-R380 PolarHBondContact O-NE 3.18Å; E333-R380 PolarHBondContact O-NE 3.49Å; E333-R380 PolarHBondContact O-NH2 2.86Å; L336-R380 PolarHBondContact O-NH1 3.26Å; V344-R380 HydrophobicContact CG2-CB 4.08Å; Q376-R380 WeakPolarHBondContact O-CG 3.4Å; Q376-R380 PolarHBondContact O-N 3.34Å; Q376-R380 PolarHBondContact O-NE 3.12Å; R377-R380 VanDerWaalsContact O-CB 3.28Å; R377-R380 WeakPolarHBondContact O-CB 3.41Å; R377-R380 WeakPolarHBondContact O-CG 3.5Å; R377-R380 PolarHBondContact O-N 2.86Å; K378-R380 PolarHBondContact O-N 3.3Å |
| 381 | C | 86.9 | Confident | 89.7 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -93.2 | 168.4 | 160.6 | 63.2 | 0 | 0 | 0 | 0 | 110.4 | V237 K342 V344 K378 G379 | V237-C381 WeakPolarHBondContact CG1-SG 3.42Å; K342-C381 WeakPolarHBondContact O-CB 3.33Å; V344-C381 HydrophobicContact CG2-CB 3.92Å; K378-C381 PolarHBondContact O-N 3.29Å; K378-C381 VanDerWaalsContact O-N 3.13Å; K378-C381 PolarHBondContact O-SG 3.1Å; G379-C381 CarbonylContact C-O 3.54Å |
| 382 | G | 82.8 | Confident | 89.8 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 83.8 | 7.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y235 S385 | Y235-G382 PolarHBondContact N-O 2.81Å; G382-S385 CarbonylContact C-O 3.56Å; G382-S385 WeakPolarHBondContact CA-O 3.29Å |
| 383 | R | 77.4 | Confident | 90.1 | Very high | 50 Ų | 50 | 24.4 Ų | 24.4 | 19% | 0.189 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -85.1 | -42.7 | -175.3 | -68.5 | 179.2 | 171.8 | -163 | -8.3 | 113.9 | T83 T337 G379 | T83-R383 PolarHBondContact OG1-NH2 2.85Å; T337-R383 VanDerWaalsContact CB-NH1 3.31Å; T337-R383 PolarHBondContact OG1-NH1 2.9Å; G379-R383 PolarHBondContact O-NE 3.45Å |
| 384 | V | 73.6 | Confident | 90.2 | Very high | 123 Ų | 123 | 25.7 Ų | 25.7 | 75% | 0.745 | 14% | 0.14 | S | C | * | . | S | Bend | trans | -109.1 | -29.4 | -176.4 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | Y235 | Y235-V384 VanDerWaalsContact CE2-C 3.47Å; Y235-V384 WeakPolarHBondContact CE2-O 3.22Å |
| 385 | S | 83.3 | Confident | 90.4 | Very high | 34 Ų | 34 | 30.6 Ų | 30.6 | 24% | 0.238 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -153.9 | 174.9 | 176.1 | 63.4 | 0 | 0 | 0 | 0 | 109.1 | Y235 G382 | Y235-S385 WeakPolarHBondContact CB-O 3.46Å; Y235-S385 VanDerWaalsContact CG-C 3.4Å; G382-S385 CarbonylContact C-O 3.56Å; G382-S385 WeakPolarHBondContact CA-O 3.29Å |
| 386 | E | 89.3 | Confident | 90.6 | Very high | 92 Ų | 92 | 34.2 Ų | 34.2 | 43% | 0.43 | 18% | 0.183 | S | C | . | . | trans | -52.6 | 147.8 | 170 | 70.3 | -64.1 | 150.2 | 0 | 0 | 111.6 | Y235 P236 K342 | Y235-E386 VanDerWaalsContact CB-N 3.31Å; P236-E386 HydrophobicContact CG-CB 4.42Å; P236-E386 WeakPolarHBondContact O-CA 3.4Å; K342-E386 WeakPolarHBondContact CE-O 2.96Å; K342-E386 WeakPolarHBondContact CE-OE1 3.34Å; K342-E386 WeakPolarHBondContact CG-O 3.4Å; K342-E386 IonicContact NZ-OE1 2.79Å; K342-E386 PolarHBondContact NZ-OE1 3.47Å | ||
| 387 | G | 92.6 | Very high | 90.9 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 168 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P236 V237 E238 K342 | P236-G387 PolarHBondContact O-N 2.99Å; V237-G387 VanDerWaalsContact CA-O 3.3Å; V237-G387 WeakPolarHBondContact CA-O 3.27Å; E238-G387 PolarHBondContact N-O 3.38Å; K342-G387 WeakPolarHBondContact O-CA 3.41Å |
| 388 | I | 97.5 | Very high | 91.1 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 5% | 0.051 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 130.7 | 176.3 | -58 | 161.6 | 0 | 0 | 0 | 108.2 | E238 R240 L266 E269 K342 Y343 V344 I390 | E238-I388 HydrophobicContact CB-CG1 4.19Å; E238-I388 CarbonylContact O-C 3.59Å; E238-I388 WeakPolarHBondContact O-CA 3.44Å; R240-I388 HydrophobicContact CG-CG2 4.08Å; R240-I388 VanDerWaalsContact NH2-CD1 3.35Å; L266-I388 HydrophobicContact CD2-CB 3.9Å; L266-I388 HydrophobicContact CD2-CD1 4.24Å; L266-I388 HydrophobicContact CD2-CG2 3.91Å; E269-I388 HydrophobicContact CB-CD1 4.27Å; E269-I388 VanDerWaalsContact CD-CD1 3.43Å; E269-I388 HydrophobicContact CG-CD1 3.54Å; K342-I388 PolarHBondContact O-N 3.25Å; Y343-I388 VanDerWaalsContact CA-O 3.31Å; Y343-I388 WeakPolarHBondContact CA-O 3.47Å; Y343-I388 HydrophobicContact CD1-CB 3.74Å; Y343-I388 HydrophobicContact CD1-CD1 4.26Å; Y343-I388 HydrophobicContact CD1-CG1 4.18Å; Y343-I388 HydrophobicContact CE1-CB 4.06Å; Y343-I388 HydrophobicContact CE1-CD1 3.75Å; Y343-I388 HydrophobicContact CE1-CG1 3.96Å; V344-I388 PolarHBondContact N-O 3.27Å; I388-I390 HydrophobicContact CG2-CG1 4.13Å |
| 389 | C | 97.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 110.2 | 172.6 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | V237 E238 V239 R240 V344 K378 | V237-C389 HydrophobicContact CG1-CB 3.76Å; E238-C389 PolarHBondContact O-N 3.46Å; V239-C389 WeakPolarHBondContact CA-O 3.36Å; R240-C389 PolarHBondContact N-O 3.4Å; V344-C389 HydrophobicContact CB-CB 4.37Å; V344-C389 CarbonylContact O-C 3.57Å; V344-C389 WeakPolarHBondContact O-CA 3.27Å; K378-C389 HydrophobicContact CB-CB 4.31Å; K378-C389 HydrophobicContact CG-CB 3.86Å |
| 390 | I | 98.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 121.1 | 172.8 | -57.1 | -173 | 0 | 0 | 0 | 108.8 | R240 R242 A262 E265 L266 V344 I345 D346 I388 L392 | R240-I390 HydrophobicContact CB-CG1 4.28Å; R240-I390 CarbonylContact O-C 3.58Å; R240-I390 WeakPolarHBondContact O-CA 3.42Å; R242-I390 HydrophobicContact CB-CG2 4.06Å; R242-I390 HydrophobicContact CG-CG2 3.67Å; A262-I390 HydrophobicContact CB-CB 4.48Å; A262-I390 HydrophobicContact CB-CD1 3.95Å; A262-I390 HydrophobicContact CB-CG2 4.03Å; E265-I390 HydrophobicContact CB-CD1 4.39Å; E265-I390 HydrophobicContact CG-CD1 4.43Å; L266-I390 HydrophobicContact CD1-CD1 3.97Å; L266-I390 HydrophobicContact CD1-CG1 4.39Å; L266-I390 HydrophobicContact CD2-CD1 3.86Å; L266-I390 HydrophobicContact CD2-CG1 4.22Å; L266-I390 HydrophobicContact CG-CD1 3.63Å; L266-I390 HydrophobicContact CG-CG1 4.35Å; V344-I390 PolarHBondContact O-N 3.42Å; I345-I390 CarbonylContact C-O 3.52Å; I345-I390 WeakPolarHBondContact CA-O 3.11Å; D346-I390 PolarHBondContact N-O 3.05Å; I388-I390 HydrophobicContact CG2-CG1 4.13Å; I390-L392 HydrophobicContact CG2-CD2 3.93Å |
| 391 | R | 98 | Very high | 92.1 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 1% | 0.011 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.1 | 174.2 | -71.5 | 176.9 | 171 | 179.8 | -6.3 | 109.1 | V239 R240 Y241 R242 D346 A374 N375 Y393 F398 | V239-R391 HydrophobicContact CG1-CG 4.4Å; R240-R391 PolarHBondContact O-N 3.21Å; Y241-R391 HydrophobicContact CD1-CB 3.81Å; Y241-R391 HydrophobicContact CE1-CB 4.13Å; Y241-R391 HydrophobicContact CE1-CG 4.37Å; Y241-R391 PolarHBondContact OH-NH1 3.46Å; R242-R391 PolarHBondContact N-O 3.03Å; D346-R391 WeakPolarHBondContact O-CA 3.32Å; A374-R391 PolarHBondContact O-NH2 2.79Å; N375-R391 PolarHBondContact OD1-NH2 2.68Å; N375-R391 VanDerWaalsContact OD1-NH2 3.11Å; R391-Y393 HydrophobicContact CB-CD1 4.08Å; R391-Y393 HydrophobicContact CB-CD2 4.45Å; R391-Y393 HydrophobicContact CB-CE1 3.75Å; R391-Y393 HydrophobicContact CB-CE2 4.17Å; R391-Y393 HydrophobicContact CB-CG 4.42Å; R391-Y393 WeakPolarHBondContact CD-OH 3.37Å; R391-Y393 HydrophobicContact CG-CE1 3.95Å; R391-Y393 HydrophobicContact CG-CE2 4.23Å; R391-Y393 PolarHBondContact NE-OH 2.76Å; R391-Y393 PolarHBondContact O-N 2.73Å; R391-Y393 VanDerWaalsContact O-N 3.11Å; R391-F398 VanDerWaalsContact NH1-CE2 3.27Å; R391-F398 VanDerWaalsContact NH1-CG 3.27Å |
| 392 | L | 96.7 | Very high | 92.5 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -85.3 | 32.8 | 179.9 | -49.4 | -177.9 | 0 | 0 | 0 | 113 | R242 I244 A258 I259 A262 I345 D346 P347 I390 | R242-L392 HydrophobicContact CB-CD2 4.17Å; R242-L392 CarbonylContact O-C 3.39Å; R242-L392 VanDerWaalsContact O-CA 3.31Å; R242-L392 WeakPolarHBondContact O-CA 3.27Å; I244-L392 HydrophobicContact CD1-CB 4.18Å; I244-L392 HydrophobicContact CG1-CB 4.17Å; A258-L392 HydrophobicContact CB-CD1 4.1Å; A258-L392 HydrophobicContact CB-CD2 4.34Å; I259-L392 HydrophobicContact CG1-CD1 3.75Å; A262-L392 HydrophobicContact CB-CD2 4.22Å; I345-L392 HydrophobicContact CG2-CD1 4.02Å; I345-L392 HydrophobicContact CG2-CD2 4.32Å; I345-L392 HydrophobicContact CG2-CG 4.12Å; D346-L392 PolarHBondContact O-N 3.23Å; P347-L392 HydrophobicContact CB-CD1 4.44Å; P347-L392 HydrophobicContact CG-CD1 4.15Å; I390-L392 HydrophobicContact CG2-CD2 3.93Å |
| 393 | Y | 95.1 | Very high | 92.8 | Very high | 14 Ų | 14 | 52.6 Ų | 52.6 | 6% | 0.055 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -142.3 | 165.5 | 177.8 | 48.4 | -83.6 | 0 | 0 | 0 | 108.1 | Y241 D346 A374 R391 D397 F398 | Y241-Y393 VanDerWaalsContact CD1-O 3.31Å; Y241-Y393 WeakPolarHBondContact CD1-O 3.36Å; D346-Y393 VanDerWaalsContact O-CE1 3.26Å; D346-Y393 WeakPolarHBondContact O-CE1 3.36Å; D346-Y393 PolarHBondContact OD2-OH 3.04Å; A374-Y393 WeakPolarHBondContact CB-OH 3.48Å; R391-Y393 HydrophobicContact CB-CD1 4.08Å; R391-Y393 HydrophobicContact CB-CD2 4.45Å; R391-Y393 HydrophobicContact CB-CE1 3.75Å; R391-Y393 HydrophobicContact CB-CE2 4.17Å; R391-Y393 HydrophobicContact CB-CG 4.42Å; R391-Y393 WeakPolarHBondContact CD-OH 3.37Å; R391-Y393 HydrophobicContact CG-CE1 3.95Å; R391-Y393 HydrophobicContact CG-CE2 4.23Å; R391-Y393 PolarHBondContact NE-OH 2.76Å; R391-Y393 PolarHBondContact O-N 2.73Å; R391-Y393 VanDerWaalsContact O-N 3.11Å; Y393-D397 WeakPolarHBondContact CD2-OD2 3.4Å; Y393-F398 HydrophobicContact CD2-CB 4.12Å; Y393-F398 HydrophobicContact CE2-CB 3.79Å; Y393-F398 HydrophobicContact CE2-CD2 4.16Å; Y393-F398 HydrophobicContact CE2-CG 4.38Å |
| 394 | S | 95 | Very high | 93.4 | Very high | 43 Ų | 43 | 52.2 Ų | 52.2 | 30% | 0.301 | 29% | 0.286 | S | S | . | . | trans | -78.1 | 162.4 | -179 | 65.6 | 0 | 0 | 0 | 0 | 111.7 | D396 D397 F398 | S394-D396 VanDerWaalsContact C-N 3.32Å; S394-D397 PolarHBondContact O-N 3.29Å; S394-D397 WeakPolarHBondContact OG-CB 3.47Å; S394-D397 PolarHBondContact OG-N 2.77Å; S394-F398 PolarHBondContact O-N 2.9Å; S394-F398 VanDerWaalsContact O-N 3.08Å | ||
| 395 | E | 97 | Very high | 94.1 | Very high | 104 Ų | 104 | 48.5 Ų | 48.5 | 49% | 0.486 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 171.7 | -174.7 | 157.7 | -139.8 | 0 | 0 | 111.6 | Y241 D397 F398 L399 | Y241-E395 HydrophobicContact CD1-CB 4.21Å; Y241-E395 HydrophobicContact CD2-CB 3.88Å; Y241-E395 HydrophobicContact CD2-CG 4.47Å; Y241-E395 HydrophobicContact CE1-CB 4.01Å; Y241-E395 HydrophobicContact CE1-CG 4.45Å; Y241-E395 HydrophobicContact CE2-CB 3.66Å; Y241-E395 HydrophobicContact CE2-CG 3.78Å; Y241-E395 HydrophobicContact CG-CB 4.14Å; E395-D397 VanDerWaalsContact C-N 3.34Å; E395-D397 PolarHBondContact O-N 3.41Å; E395-F398 WeakPolarHBondContact O-CB 3.28Å; E395-F398 PolarHBondContact O-N 2.89Å; E395-L399 HydrophobicContact CG-CD1 4Å; E395-L399 HydrophobicContact CG-CG 4.33Å; E395-L399 VanDerWaalsContact O-CG 3.29Å; E395-L399 WeakPolarHBondContact O-CG 3.47Å; E395-L399 PolarHBondContact O-N 3.44Å |
| 396 | D | 95.7 | Very high | 94.4 | Very high | 130 Ų | 130 | 50.4 Ų | 50.4 | 70% | 0.695 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.3 | -41.8 | 174.6 | -67.2 | -28.3 | 0 | 0 | 0 | 111.9 | S394 L399 S400 | S394-D396 VanDerWaalsContact C-N 3.32Å; D396-L399 PolarHBondContact O-N 2.76Å; D396-S400 WeakPolarHBondContact O-CB 3.41Å; D396-S400 PolarHBondContact O-N 2.62Å |
| 397 | D | 94 | Very high | 94.4 | Very high | 53 Ų | 53 | 46.4 Ų | 46.4 | 28% | 0.283 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.4 | -50.2 | 173.6 | 173.7 | 83.3 | 0 | 0 | 0 | 110.2 | Y393 S394 E395 L399 S400 R401 | Y393-D397 WeakPolarHBondContact CD2-OD2 3.4Å; S394-D397 PolarHBondContact O-N 3.29Å; S394-D397 WeakPolarHBondContact OG-CB 3.47Å; S394-D397 PolarHBondContact OG-N 2.77Å; E395-D397 VanDerWaalsContact C-N 3.34Å; E395-D397 PolarHBondContact O-N 3.41Å; D397-L399 PolarHBondContact O-N 3.43Å; D397-S400 PolarHBondContact O-N 3.2Å; D397-S400 VanDerWaalsContact O-N 3.14Å; D397-S400 PolarHBondContact O-OG 2.95Å; D397-R401 WeakPolarHBondContact O-CG 3.4Å; D397-R401 PolarHBondContact O-N 2.91Å; D397-R401 IonicContact OD2-CZ 3.29Å; D397-R401 IonicContact OD2-NE 3.52Å; D397-R401 PolarHBondContact OD2-NE 3.02Å; D397-R401 IonicContact OD2-NH2 2.65Å; D397-R401 PolarHBondContact OD2-NH2 3.12Å |
| 398 | F | 96.7 | Very high | 94.3 | Very high | 16 Ų | 16 | 49.5 Ų | 49.5 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -53.5 | -50 | 176.7 | 172.5 | -111.3 | 0 | 0 | 0 | 112.5 | Y241 Q371 A374 R391 Y393 S394 E395 S400 R401 | Y241-F398 HydrophobicContact CE1-CB 4.21Å; Q371-F398 HydrophobicContact CB-CE2 3.89Å; Q371-F398 HydrophobicContact CB-CZ 4.11Å; Q371-F398 HydrophobicContact CG-CD2 4.43Å; Q371-F398 HydrophobicContact CG-CE2 4.06Å; Q371-F398 HydrophobicContact CG-CZ 4.3Å; Q371-F398 WeakPolarHBondContact CG-O 3.4Å; A374-F398 HydrophobicContact CB-CD2 4.09Å; A374-F398 HydrophobicContact CB-CE2 3.81Å; R391-F398 VanDerWaalsContact NH1-CE2 3.27Å; R391-F398 VanDerWaalsContact NH1-CG 3.27Å; Y393-F398 HydrophobicContact CD2-CB 4.12Å; Y393-F398 HydrophobicContact CE2-CB 3.79Å; Y393-F398 HydrophobicContact CE2-CD2 4.16Å; Y393-F398 HydrophobicContact CE2-CG 4.38Å; S394-F398 PolarHBondContact O-N 2.9Å; S394-F398 VanDerWaalsContact O-N 3.08Å; E395-F398 WeakPolarHBondContact O-CB 3.28Å; E395-F398 PolarHBondContact O-N 2.89Å; F398-S400 VanDerWaalsContact C-N 3.26Å; F398-S400 PolarHBondContact O-N 2.85Å; F398-R401 PolarHBondContact O-N 3.42Å |
| 399 | L | 96.8 | Very high | 93.9 | Very high | 100 Ų | 100 | 49 Ų | 49 | 52% | 0.524 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.6 | -27.5 | -177.7 | -68.1 | 172.7 | 0 | 0 | 0 | 112.4 | Q371 E395 D396 D397 R401 | Q371-L399 PolarHBondContact NE2-O 3.34Å; Q371-L399 VanDerWaalsContact NE2-O 3.14Å; E395-L399 HydrophobicContact CG-CD1 4Å; E395-L399 HydrophobicContact CG-CG 4.33Å; E395-L399 VanDerWaalsContact O-CG 3.29Å; E395-L399 WeakPolarHBondContact O-CG 3.47Å; E395-L399 PolarHBondContact O-N 3.44Å; D396-L399 PolarHBondContact O-N 2.76Å; D397-L399 PolarHBondContact O-N 3.43Å; L399-R401 VanDerWaalsContact C-N 3.34Å |
| 400 | S | 96 | Very high | 93.4 | Very high | 91 Ų | 91 | 51.2 Ų | 51.2 | 64% | 0.636 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -77 | -16.8 | 176.6 | 79.4 | 0 | 0 | 0 | 0 | 114.1 | D396 D397 F398 | D396-S400 WeakPolarHBondContact O-CB 3.41Å; D396-S400 PolarHBondContact O-N 2.62Å; D397-S400 PolarHBondContact O-N 3.2Å; D397-S400 VanDerWaalsContact O-N 3.14Å; D397-S400 PolarHBondContact O-OG 2.95Å; F398-S400 VanDerWaalsContact C-N 3.26Å; F398-S400 PolarHBondContact O-N 2.85Å |
| 401 | R | 94.7 | Very high | 92.9 | Very high | 17 Ų | 17 | 53 Ų | 53 | 6% | 0.064 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -71.7 | 153 | -176.5 | -51.2 | -160.7 | -175.6 | -177 | -5.4 | 111.7 | G348 I369 Q371 D397 F398 L399 | G348-R401 PolarHBondContact O-NH1 3.24Å; I369-R401 WeakPolarHBondContact O-CD 3.45Å; I369-R401 PolarHBondContact O-NH1 3.17Å; Q371-R401 HydrophobicContact CG-CB 4.17Å; Q371-R401 PolarHBondContact NE2-O 3.19Å; D397-R401 WeakPolarHBondContact O-CG 3.4Å; D397-R401 PolarHBondContact O-N 2.91Å; D397-R401 IonicContact OD2-CZ 3.29Å; D397-R401 IonicContact OD2-NE 3.52Å; D397-R401 PolarHBondContact OD2-NE 3.02Å; D397-R401 IonicContact OD2-NH2 2.65Å; D397-R401 PolarHBondContact OD2-NH2 3.12Å; F398-R401 PolarHBondContact O-N 3.42Å; L399-R401 VanDerWaalsContact C-N 3.34Å |
| 402 | P | 93.6 | Very high | 92.2 | Very high | 92 Ų | 92 | 54 Ų | 54 | 60% | 0.597 | 29% | 0.289 | S | S | * | . | trans | -54.9 | 142.7 | 169.9 | -23.3 | 33.5 | 0 | 0 | 0 | 111.6 | S370 Q371 F404 | S370-P402 CarbonylContact C-O 3.53Å; S370-P402 VanDerWaalsContact CA-O 3.3Å; S370-P402 WeakPolarHBondContact CA-O 3.46Å; S370-P402 VanDerWaalsContact CB-O 3.27Å; S370-P402 WeakPolarHBondContact CB-O 3.18Å; Q371-P402 PolarHBondContact N-O 3.23Å; P402-F404 VanDerWaalsContact C-N 3.3Å; P402-F404 PolarHBondContact O-N 2.94Å | ||
| 403 | E | 90.7 | Very high | 91.6 | Very high | 122 Ų | 122 | 55.2 Ų | 55.2 | 57% | 0.57 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -60.5 | -41.5 | 179.7 | -166.6 | -177.2 | 174.1 | 0 | 0 | 111.7 | A372 | A372-E403 WeakPolarHBondContact CB-O 3.33Å; A372-E403 PolarHBondContact N-O 2.89Å |
| 404 | F | 89.1 | Confident | 91.3 | Very high | 41 Ų | 41 | 54.6 Ų | 54.6 | 18% | 0.18 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -129.8 | 152.2 | -178.5 | -53.5 | -69.6 | 0 | 0 | 0 | 112 | I213 D214 A372 P402 | I213-F404 HydrophobicContact CG1-CD1 4.02Å; I213-F404 HydrophobicContact CG1-CE1 4.12Å; D214-F404 HydrophobicContact CB-CZ 4.43Å; A372-F404 HydrophobicContact CB-CD1 3.66Å; A372-F404 HydrophobicContact CB-CE1 4.01Å; P402-F404 VanDerWaalsContact C-N 3.3Å; P402-F404 PolarHBondContact O-N 2.94Å |
| 405 | T | 89 | Confident | 91.1 | Very high | 45 Ų | 45 | 52.5 Ų | 52.5 | 28% | 0.276 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 139.3 | 168.5 | -52.8 | 0 | 0 | 0 | 0 | 109.1 | I352 S370 | I352-T405 HydrophobicContact CD1-CG2 4.36Å; S370-T405 PolarHBondContact OG-N 3.01Å; S370-T405 PolarHBondContact OG-OG1 3.27Å |
| 406 | D | 89.1 | Confident | 90.6 | Very high | 75 Ų | 75 | 49.2 Ų | 49.2 | 40% | 0.401 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 140.5 | 178.3 | -52 | -53.2 | 0 | 0 | 0 | 111.1 | R354 R411 | R354-D406 IonicContact CZ-OD2 3.65Å; R354-D406 IonicContact NH1-OD2 2.87Å; R354-D406 PolarHBondContact NH1-OD2 2.85Å; R354-D406 IonicContact NH2-OD2 3.7Å; D406-R411 HydrophobicContact CB-CG 4.11Å; D406-R411 PolarHBondContact O-NE 3.19Å; D406-R411 PolarHBondContact O-NH2 2.86Å |
| 407 | P | 89.4 | Confident | 90.1 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 5% | 0.045 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -54.6 | 149.4 | 172.8 | -29.2 | 38.1 | 0 | 0 | 0 | 112.8 | R183 I409 L410 R411 E436 | R183-P407 HydrophobicContact CB-CB 4.06Å; R183-P407 HydrophobicContact CB-CG 4.34Å; R183-P407 VanDerWaalsContact CZ-CG 3.44Å; R183-P407 VanDerWaalsContact NH2-CG 3.32Å; P407-I409 HydrophobicContact CB-CG2 3.92Å; P407-I409 PolarHBondContact O-N 3.19Å; P407-L410 PolarHBondContact O-N 3.27Å; P407-L410 VanDerWaalsContact O-N 3.09Å; P407-R411 PolarHBondContact O-NE 3.14Å; P407-E436 WeakPolarHBondContact CG-OE2 3.45Å |
| 408 | E | 89.8 | Confident | 89.9 | Confident | 69 Ų | 69 | 41 Ų | 41 | 32% | 0.322 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -61.4 | -32.7 | -178.7 | -171.7 | -178.9 | 178.9 | 0 | 0 | 112.4 | R183 S184 L185 L410 R411 T412 | R183-E408 WeakPolarHBondContact O-CB 3.14Å; R183-E408 PolarHBondContact O-N 2.57Å; S184-E408 VanDerWaalsContact CA-OE2 3.22Å; S184-E408 WeakPolarHBondContact CA-OE2 3.25Å; S184-E408 WeakPolarHBondContact CB-OE2 3.44Å; L185-E408 HydrophobicContact CB-CB 4.49Å; L185-E408 HydrophobicContact CB-CG 4.27Å; L185-E408 PolarHBondContact N-OE2 3.13Å; E408-L410 PolarHBondContact O-N 3.49Å; E408-L410 VanDerWaalsContact O-N 3.12Å; E408-R411 CarbonylContact O-C 3.38Å; E408-R411 PolarHBondContact O-N 2.85Å; E408-T412 HydrophobicContact CG-CG2 4.31Å; E408-T412 VanDerWaalsContact O-CG2 3.29Å; E408-T412 WeakPolarHBondContact O-CG2 3.27Å; E408-T412 PolarHBondContact O-N 3.38Å; E408-T412 VanDerWaalsContact O-N 3.14Å |
| 409 | I | 89 | Confident | 89.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -58.1 | -24.8 | 176.7 | -165.3 | 169.6 | 0 | 0 | 0 | 113.4 | L185 P407 L414 F434 P438 | L185-I409 HydrophobicContact CD1-CB 3.82Å; L185-I409 HydrophobicContact CD1-CD1 4.32Å; L185-I409 HydrophobicContact CD1-CG1 3.76Å; P407-I409 HydrophobicContact CB-CG2 3.92Å; P407-I409 PolarHBondContact O-N 3.19Å; I409-L414 HydrophobicContact CG1-CD2 3.85Å; I409-F434 HydrophobicContact CD1-CD1 3.34Å; I409-F434 HydrophobicContact CD1-CD2 4.23Å; I409-F434 HydrophobicContact CD1-CE1 3.41Å; I409-F434 VanDerWaalsContact CD1-CE1 3.41Å; I409-F434 HydrophobicContact CD1-CE2 4.28Å; I409-F434 HydrophobicContact CD1-CG 3.77Å; I409-F434 HydrophobicContact CD1-CZ 3.9Å; I409-P438 HydrophobicContact CD1-CB 4.46Å; I409-P438 HydrophobicContact CD1-CG 4.1Å; I409-P438 HydrophobicContact CG1-CB 4.1Å; I409-P438 HydrophobicContact CG1-CG 4.26Å |
| 410 | L | 88 | Confident | 89.1 | Confident | 47 Ų | 47 | 38.8 Ų | 38.8 | 25% | 0.246 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -87.3 | -12.9 | 176 | -57.6 | -172.5 | 0 | 0 | 0 | 113.3 | P407 E408 E436 N442 | P407-L410 PolarHBondContact O-N 3.27Å; P407-L410 VanDerWaalsContact O-N 3.09Å; E408-L410 PolarHBondContact O-N 3.49Å; E408-L410 VanDerWaalsContact O-N 3.12Å; L410-E436 HydrophobicContact CD1-CG 4.47Å; L410-E436 WeakPolarHBondContact CD1-OE1 3.45Å; L410-N442 PolarHBondContact O-ND2 3.48Å |
| 411 | R | 86.8 | Confident | 88.6 | Confident | 37 Ų | 37 | 34.5 Ų | 34.5 | 14% | 0.14 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 4 | -168 | -59.3 | -176 | -74.1 | 116.9 | -11 | 114.2 | S353 Y355 D406 P407 E408 | S353-R411 PolarHBondContact O-NH1 3.07Å; Y355-R411 WeakPolarHBondContact CB-O 3.31Å; Y355-R411 PolarHBondContact N-O 3.03Å; D406-R411 HydrophobicContact CB-CG 4.11Å; D406-R411 PolarHBondContact O-NE 3.19Å; D406-R411 PolarHBondContact O-NH2 2.86Å; P407-R411 PolarHBondContact O-NE 3.14Å; E408-R411 CarbonylContact O-C 3.38Å; E408-R411 PolarHBondContact O-N 2.85Å |
| 412 | T | 84.2 | Confident | 88.2 | Confident | 23 Ų | 23 | 35 Ų | 35 | 14% | 0.141 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -128.6 | 165.1 | -175 | -161 | 0 | 0 | 0 | 0 | 112.4 | L185 E408 L414 | L185-T412 HydrophobicContact CD1-CG2 4.17Å; L185-T412 HydrophobicContact CD2-CG2 3.88Å; L185-T412 HydrophobicContact CG-CG2 4.48Å; E408-T412 HydrophobicContact CG-CG2 4.31Å; E408-T412 VanDerWaalsContact O-CG2 3.29Å; E408-T412 WeakPolarHBondContact O-CG2 3.27Å; E408-T412 PolarHBondContact O-N 3.38Å; E408-T412 VanDerWaalsContact O-N 3.14Å; T412-L414 HydrophobicContact CG2-CD2 4.23Å |
| 413 | N | 83.8 | Confident | 87.9 | Confident | 34 Ų | 34 | 32.2 Ų | 32.2 | 18% | 0.182 | 17% | 0.17 | C | C | . | . | trans | -77.2 | 131.2 | 172.4 | -175.6 | -61.5 | 0 | 0 | 0 | 109.8 | Y355 A415 D445 | Y355-N413 HydrophobicContact CD1-CB 4.38Å; Y355-N413 HydrophobicContact CD2-CB 4.38Å; Y355-N413 HydrophobicContact CE1-CB 4.13Å; Y355-N413 HydrophobicContact CE2-CB 4.12Å; Y355-N413 HydrophobicContact CG-CB 4.5Å; Y355-N413 PolarHBondContact OH-ND2 3.17Å; Y355-N413 VanDerWaalsContact OH-ND2 3.11Å; N413-A415 WeakPolarHBondContact OD1-CB 3.38Å; N413-A415 PolarHBondContact OD1-N 3.13Å; N413-D445 PolarHBondContact ND2-OD2 2.99Å | ||
| 414 | L | 88.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -92.8 | 2.6 | -171.6 | -60.2 | 175.4 | 0 | 0 | 0 | 114.4 | L185 I409 T412 S416 V417 I418 P438 N442 I443 | L185-L414 HydrophobicContact CD1-CD2 4.02Å; I409-L414 HydrophobicContact CG1-CD2 3.85Å; T412-L414 HydrophobicContact CG2-CD2 4.23Å; L414-S416 PolarHBondContact O-N 3.34Å; L414-V417 PolarHBondContact O-N 3.15Å; L414-V417 VanDerWaalsContact O-N 3.09Å; L414-I418 HydrophobicContact CB-CD1 3.87Å; L414-I418 HydrophobicContact CB-CG1 4.26Å; L414-I418 WeakPolarHBondContact O-CD1 3.49Å; L414-I418 VanDerWaalsContact O-CG1 3.29Å; L414-I418 WeakPolarHBondContact O-CG1 3.25Å; L414-I418 PolarHBondContact O-N 2.68Å; L414-P438 HydrophobicContact CD1-CB 3.39Å; L414-P438 HydrophobicContact CD1-CG 3.85Å; L414-N442 HydrophobicContact CD1-CB 3.93Å; L414-I443 HydrophobicContact CD1-CG1 4.17Å | ||
| 415 | A | 90.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.7 | -45.1 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | N413 V417 I418 L419 L449 L450 | N413-A415 WeakPolarHBondContact OD1-CB 3.38Å; N413-A415 PolarHBondContact OD1-N 3.13Å; A415-V417 VanDerWaalsContact C-N 3.31Å; A415-V417 PolarHBondContact O-N 3.18Å; A415-I418 PolarHBondContact O-N 3.41Å; A415-L419 WeakPolarHBondContact O-CB 3.31Å; A415-L419 PolarHBondContact O-N 3.39Å; A415-L449 HydrophobicContact CB-CB 4.27Å; A415-L449 HydrophobicContact CB-CD2 3.73Å; A415-L449 HydrophobicContact CB-CG 4.11Å; A415-L450 HydrophobicContact CB-CD2 4.13Å; A415-L450 HydrophobicContact CB-CG 4.09Å |
| 416 | S | 87.3 | Confident | 86.8 | Confident | 34 Ų | 34 | 27.4 Ų | 27.4 | 24% | 0.238 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.9 | -42 | 177.3 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | L414 Q420 D480 P481 | L414-S416 PolarHBondContact O-N 3.34Å; S416-Q420 VanDerWaalsContact O-CG 3.31Å; S416-Q420 WeakPolarHBondContact O-CG 3.29Å; S416-Q420 PolarHBondContact O-N 3.35Å; S416-Q420 VanDerWaalsContact O-N 3.09Å; S416-D480 PolarHBondContact OG-OD2 3.35Å; S416-P481 WeakPolarHBondContact OG-CD 3.15Å |
| 417 | V | 85.9 | Confident | 86.2 | Confident | 7 Ų | 7 | 25.9 Ų | 25.9 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.4 | -48.7 | 178 | 168 | 0 | 0 | 0 | 0 | 110.8 | L185 F189 L414 A415 L419 Q420 M421 I429 F434 | L185-V417 HydrophobicContact CD1-CG2 3.92Å; L185-V417 HydrophobicContact CD2-CG2 3.45Å; L185-V417 VanDerWaalsContact CD2-CG2 3.45Å; L185-V417 HydrophobicContact CG-CG2 3.68Å; F189-V417 HydrophobicContact CD2-CG1 3.81Å; F189-V417 HydrophobicContact CE2-CG1 4.07Å; L414-V417 PolarHBondContact O-N 3.15Å; L414-V417 VanDerWaalsContact O-N 3.09Å; A415-V417 VanDerWaalsContact C-N 3.31Å; A415-V417 PolarHBondContact O-N 3.18Å; V417-L419 VanDerWaalsContact C-N 3.28Å; V417-L419 PolarHBondContact O-N 3.04Å; V417-Q420 PolarHBondContact O-N 3.05Å; V417-Q420 VanDerWaalsContact O-N 3.13Å; V417-M421 HydrophobicContact CG1-CG 4.16Å; V417-M421 HydrophobicContact CG1-SD 3.71Å; V417-M421 VanDerWaalsContact O-CG 3.27Å; V417-M421 WeakPolarHBondContact O-CG 3.47Å; V417-M421 PolarHBondContact O-N 3.35Å; V417-I429 HydrophobicContact CG1-CD1 4.39Å; V417-F434 HydrophobicContact CG1-CZ 4.49Å |
| 418 | I | 89.2 | Confident | 85.7 | Confident | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.9 | -43.6 | 178.7 | -65.6 | 159.4 | 0 | 0 | 0 | 110.4 | L414 A415 Q420 M421 T422 I429 I443 V447 L450 | L414-I418 HydrophobicContact CB-CD1 3.87Å; L414-I418 HydrophobicContact CB-CG1 4.26Å; L414-I418 WeakPolarHBondContact O-CD1 3.49Å; L414-I418 VanDerWaalsContact O-CG1 3.29Å; L414-I418 WeakPolarHBondContact O-CG1 3.25Å; L414-I418 PolarHBondContact O-N 2.68Å; A415-I418 PolarHBondContact O-N 3.41Å; I418-Q420 PolarHBondContact O-N 2.84Å; I418-M421 PolarHBondContact O-N 3.38Å; I418-T422 WeakPolarHBondContact O-CB 3.22Å; I418-T422 PolarHBondContact O-N 3.05Å; I418-T422 PolarHBondContact O-OG1 2.51Å; I418-I429 HydrophobicContact CD1-CD1 4.39Å; I418-I429 HydrophobicContact CG1-CD1 3.5Å; I418-I429 VanDerWaalsContact CG1-CD1 3.5Å; I418-I443 HydrophobicContact CD1-CG2 4.47Å; I418-V447 HydrophobicContact CD1-CG2 4.21Å; I418-V447 HydrophobicContact CG2-CG2 4.39Å; I418-L450 HydrophobicContact CB-CD1 3.83Å; I418-L450 HydrophobicContact CG2-CD1 3.58Å |
| 419 | L | 90.6 | Very high | 85.3 | Confident | 6 Ų | 6 | 25.7 Ų | 25.7 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.3 | -47.4 | 177.2 | -177.8 | 64.2 | 0 | 0 | 0 | 111.3 | A415 V417 T422 A423 L450 A455 L467 L474 P481 | A415-L419 WeakPolarHBondContact O-CB 3.31Å; A415-L419 PolarHBondContact O-N 3.39Å; V417-L419 VanDerWaalsContact C-N 3.28Å; V417-L419 PolarHBondContact O-N 3.04Å; L419-T422 PolarHBondContact O-N 2.84Å; L419-A423 WeakPolarHBondContact O-CB 3.44Å; L419-A423 PolarHBondContact O-N 2.86Å; L419-L450 HydrophobicContact CB-CD1 4.09Å; L419-L450 HydrophobicContact CB-CD2 3.96Å; L419-L450 HydrophobicContact CD1-CD2 4.37Å; L419-L450 HydrophobicContact CD2-CD2 4.44Å; L419-L450 HydrophobicContact CG-CD2 4.49Å; L419-A455 HydrophobicContact CD1-CB 4.19Å; L419-L467 HydrophobicContact CD1-CD2 3.55Å; L419-L474 HydrophobicContact CD2-CB 4.08Å; L419-P481 HydrophobicContact CD2-CB 4.09Å; L419-P481 HydrophobicContact CD2-CG 3.75Å |
| 420 | Q | 85.8 | Confident | 84.8 | Confident | 64 Ų | 64 | 28.5 Ų | 28.5 | 30% | 0.299 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.4 | -43.4 | 178.4 | -74.2 | -179.8 | -6.3 | 0 | 0 | 112.4 | S416 V417 I418 T422 A423 L424 | S416-Q420 VanDerWaalsContact O-CG 3.31Å; S416-Q420 WeakPolarHBondContact O-CG 3.29Å; S416-Q420 PolarHBondContact O-N 3.35Å; S416-Q420 VanDerWaalsContact O-N 3.09Å; V417-Q420 PolarHBondContact O-N 3.05Å; V417-Q420 VanDerWaalsContact O-N 3.13Å; I418-Q420 PolarHBondContact O-N 2.84Å; Q420-T422 PolarHBondContact O-N 3.05Å; Q420-A423 PolarHBondContact O-N 3.01Å; Q420-L424 WeakPolarHBondContact O-CB 3.28Å; Q420-L424 WeakPolarHBondContact O-CG 3.44Å; Q420-L424 PolarHBondContact O-N 2.81Å |
| 421 | M | 85.6 | Confident | 84.6 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.9 | -45.9 | 177.3 | -67.5 | 179.4 | 72.6 | 0 | 0 | 111.7 | F189 V417 I418 A423 L424 G425 L426 I429 F432 F434 | F189-M421 HydrophobicContact CD2-CG 4.35Å; F189-M421 HydrophobicContact CE2-CG 3.4Å; F189-M421 VanDerWaalsContact CE2-CG 3.4Å; F189-M421 HydrophobicContact CE2-SD 4.21Å; F189-M421 HydrophobicContact CZ-CG 4.05Å; V417-M421 HydrophobicContact CG1-CG 4.16Å; V417-M421 HydrophobicContact CG1-SD 3.71Å; V417-M421 VanDerWaalsContact O-CG 3.27Å; V417-M421 WeakPolarHBondContact O-CG 3.47Å; V417-M421 PolarHBondContact O-N 3.35Å; I418-M421 PolarHBondContact O-N 3.38Å; M421-A423 VanDerWaalsContact C-N 3.3Å; M421-A423 PolarHBondContact O-N 2.63Å; M421-L424 PolarHBondContact O-N 3.4Å; M421-G425 PolarHBondContact O-N 3.37Å; M421-L426 HydrophobicContact CG-CD1 4.5Å; M421-L426 PolarHBondContact O-N 2.82Å; M421-I429 HydrophobicContact CE-CB 4.07Å; M421-I429 HydrophobicContact CE-CG1 3.98Å; M421-I429 HydrophobicContact SD-CB 4.07Å; M421-I429 HydrophobicContact SD-CD1 3.77Å; M421-I429 HydrophobicContact SD-CG1 3.62Å; M421-F432 HydrophobicContact CE-CB 3.31Å; M421-F432 HydrophobicContact CE-CD1 3.79Å; M421-F432 HydrophobicContact CE-CD2 3.58Å; M421-F432 HydrophobicContact CE-CE1 4.42Å; M421-F432 HydrophobicContact CE-CE2 4.27Å; M421-F432 HydrophobicContact CE-CG 3.27Å; M421-F434 HydrophobicContact CE-CE2 4.4Å; M421-F434 HydrophobicContact CE-CZ 4.24Å; M421-F434 HydrophobicContact SD-CE2 4.49Å; M421-F434 HydrophobicContact SD-CZ 3.93Å |
| 422 | T | 87.2 | Confident | 84.7 | Confident | 28 Ų | 28 | 28.6 Ų | 28.6 | 17% | 0.172 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.5 | -38.2 | 178.9 | -47.1 | 0 | 0 | 0 | 0 | 110.5 | I418 L419 Q420 G425 Y465 L467 | I418-T422 WeakPolarHBondContact O-CB 3.22Å; I418-T422 PolarHBondContact O-N 3.05Å; I418-T422 PolarHBondContact O-OG1 2.51Å; L419-T422 PolarHBondContact O-N 2.84Å; Q420-T422 PolarHBondContact O-N 3.05Å; T422-G425 PolarHBondContact O-N 2.82Å; T422-Y465 VanDerWaalsContact CG2-O 3.27Å; T422-Y465 WeakPolarHBondContact CG2-O 3.32Å; T422-L467 HydrophobicContact CG2-CD2 4Å; T422-L467 HydrophobicContact CG2-CG 3.76Å |
| 423 | A | 86.6 | Confident | 85 | Confident | 32 Ų | 32 | 28.7 Ų | 28.7 | 26% | 0.264 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.4 | -37.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L419 Q420 M421 G425 L467 | L419-A423 WeakPolarHBondContact O-CB 3.44Å; L419-A423 PolarHBondContact O-N 2.86Å; Q420-A423 PolarHBondContact O-N 3.01Å; M421-A423 VanDerWaalsContact C-N 3.3Å; M421-A423 PolarHBondContact O-N 2.63Å; A423-G425 VanDerWaalsContact C-N 3.26Å; A423-L467 HydrophobicContact CB-CD1 3.79Å |
| 424 | L | 84.3 | Confident | 85.4 | Confident | 19 Ų | 19 | 27.9 Ų | 27.9 | 10% | 0.099 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -75.2 | -18.6 | 175.7 | -70.6 | 173.3 | 0 | 0 | 0 | 112.6 | I163 R167 F189 Y193 Q420 M421 L426 | I163-L424 HydrophobicContact CG2-CD1 3.88Å; I163-L424 HydrophobicContact CG2-CD2 4.11Å; R167-L424 PolarHBondContact NH1-O 2.91Å; F189-L424 HydrophobicContact CE1-CD1 4.44Å; F189-L424 HydrophobicContact CZ-CD1 4.11Å; Y193-L424 HydrophobicContact CE2-CD1 4.47Å; Q420-L424 WeakPolarHBondContact O-CB 3.28Å; Q420-L424 WeakPolarHBondContact O-CG 3.44Å; Q420-L424 PolarHBondContact O-N 2.81Å; M421-L424 PolarHBondContact O-N 3.4Å; L424-L426 HydrophobicContact CB-CD1 3.96Å; L424-L426 HydrophobicContact CB-CD2 4.49Å; L424-L426 HydrophobicContact CB-CG 3.79Å; L424-L426 HydrophobicContact CD1-CD1 3.96Å |
| 425 | G | 82.6 | Confident | 85.4 | Confident | 61 Ų | 61 | 29.3 Ų | 29.3 | 63% | 0.629 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 34.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M421 T422 A423 G427 | M421-G425 PolarHBondContact O-N 3.37Å; T422-G425 PolarHBondContact O-N 2.82Å; A423-G425 VanDerWaalsContact C-N 3.26Å; G425-G427 PolarHBondContact O-N 3.01Å |
| 426 | L | 80 | Confident | 85.3 | Confident | 27 Ų | 27 | 32.1 Ų | 32.1 | 14% | 0.141 | 22% | 0.221 | C | C | . | . | trans | -82 | 11.8 | -178 | -60 | 173.2 | 0 | 0 | 0 | 113.7 | F189 Y193 M421 L424 F432 | F189-L426 HydrophobicContact CE1-CD1 4.47Å; F189-L426 HydrophobicContact CZ-CD1 3.91Å; Y193-L426 HydrophobicContact CD2-CD1 3.77Å; Y193-L426 HydrophobicContact CD2-CD2 4.06Å; Y193-L426 HydrophobicContact CE2-CD1 4.13Å; Y193-L426 HydrophobicContact CE2-CD2 3.88Å; M421-L426 HydrophobicContact CG-CD1 4.5Å; M421-L426 PolarHBondContact O-N 2.82Å; L424-L426 HydrophobicContact CB-CD1 3.96Å; L424-L426 HydrophobicContact CB-CD2 4.49Å; L424-L426 HydrophobicContact CB-CG 3.79Å; L424-L426 HydrophobicContact CD1-CD1 3.96Å; L426-F432 HydrophobicContact CB-CD2 4.24Å; L426-F432 HydrophobicContact CB-CE2 4.32Å; L426-F432 HydrophobicContact CD1-CE2 3.86Å; L426-F432 HydrophobicContact CD1-CZ 4.46Å | ||
| 427 | G | 76.5 | Confident | 85.4 | Confident | 44 Ų | 44 | 33.7 Ų | 33.7 | 45% | 0.454 | 24% | 0.236 | S | C | . | . | trans | 73.1 | -154.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G425 | G425-G427 PolarHBondContact O-N 3.01Š| ||
| 428 | D | 78.4 | Confident | 85.5 | Confident | 64 Ų | 64 | 33.9 Ų | 33.9 | 34% | 0.342 | 24% | 0.238 | S | C | . | . | trans | -70.9 | 128.7 | -178.6 | -175.8 | 3.4 | 0 | 0 | 0 | 110.7 | A430 A431 F432 | D428-A430 PolarHBondContact O-N 3.5Å; D428-A430 PolarHBondContact OD1-N 3.11Å; D428-A431 HydrophobicContact CB-CB 4.26Å; D428-A431 PolarHBondContact O-N 3.48Å; D428-F432 PolarHBondContact O-N 3.06Å | ||
| 429 | I | 80.1 | Confident | 85.3 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -29.8 | 175.1 | -170.6 | 166.4 | 0 | 0 | 0 | 112.4 | V417 I418 M421 A431 F432 F434 I443 | V417-I429 HydrophobicContact CG1-CD1 4.39Å; I418-I429 HydrophobicContact CD1-CD1 4.39Å; I418-I429 HydrophobicContact CG1-CD1 3.5Å; I418-I429 VanDerWaalsContact CG1-CD1 3.5Å; M421-I429 HydrophobicContact CE-CB 4.07Å; M421-I429 HydrophobicContact CE-CG1 3.98Å; M421-I429 HydrophobicContact SD-CB 4.07Å; M421-I429 HydrophobicContact SD-CD1 3.77Å; M421-I429 HydrophobicContact SD-CG1 3.62Å; I429-A431 VanDerWaalsContact C-N 3.3Å; I429-F432 PolarHBondContact O-N 3.44Å; I429-F434 HydrophobicContact CD1-CE2 4.4Å; I429-F434 HydrophobicContact CD1-CZ 4.44Å; I429-F434 HydrophobicContact CG1-CE2 3.66Å; I429-F434 HydrophobicContact CG1-CZ 4.08Å; I429-I443 HydrophobicContact CD1-CG1 4.43Å; I429-I443 HydrophobicContact CG2-CB 4.41Å; I429-I443 HydrophobicContact CG2-CD1 3.93Å; I429-I443 HydrophobicContact CG2-CG1 4.01Å; I429-I443 HydrophobicContact CG2-CG2 3.51Å |
| 430 | A | 79.1 | Confident | 85.1 | Confident | 58 Ų | 58 | 43.7 Ų | 43.7 | 48% | 0.479 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -24.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | D428 | D428-A430 PolarHBondContact O-N 3.5Å; D428-A430 PolarHBondContact OD1-N 3.11Å |
| 431 | A | 83.8 | Confident | 85.1 | Confident | 80 Ų | 80 | 46.4 Ų | 46.4 | 66% | 0.661 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -19.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D428 I429 | D428-A431 HydrophobicContact CB-CB 4.26Å; D428-A431 PolarHBondContact O-N 3.48Å; I429-A431 VanDerWaalsContact C-N 3.3Å |
| 432 | F | 89.5 | Confident | 85.2 | Confident | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -62.2 | 136 | 179.2 | -172.5 | -101.3 | 0 | 0 | 0 | 111 | M421 L426 D428 I429 F434 | M421-F432 HydrophobicContact CE-CB 3.31Å; M421-F432 HydrophobicContact CE-CD1 3.79Å; M421-F432 HydrophobicContact CE-CD2 3.58Å; M421-F432 HydrophobicContact CE-CE1 4.42Å; M421-F432 HydrophobicContact CE-CE2 4.27Å; M421-F432 HydrophobicContact CE-CG 3.27Å; L426-F432 HydrophobicContact CB-CD2 4.24Å; L426-F432 HydrophobicContact CB-CE2 4.32Å; L426-F432 HydrophobicContact CD1-CE2 3.86Å; L426-F432 HydrophobicContact CD1-CZ 4.46Å; D428-F432 PolarHBondContact O-N 3.06Å; I429-F432 PolarHBondContact O-N 3.44Å; F432-F434 VanDerWaalsContact C-N 3.28Å; F432-F434 HydrophobicContact CB-CD2 4.36Å; F432-F434 HydrophobicContact CB-CE2 4Å; F432-F434 AromaticContact CD1-CD1 3.92Å; F432-F434 HydrophobicContact CD1-CD1 3.92Å; F432-F434 AromaticContact CD1-CD2 3.78Å; F432-F434 HydrophobicContact CD1-CD2 3.78Å; F432-F434 AromaticContact CD1-CE1 3.66Å; F432-F434 HydrophobicContact CD1-CE1 3.66Å; F432-F434 AromaticContact CD1-CE2 3.5Å; F432-F434 HydrophobicContact CD1-CE2 3.5Å; F432-F434 VanDerWaalsContact CD1-CE2 3.5Å; F432-F434 AromaticContact CD1-CG 3.99Å; F432-F434 HydrophobicContact CD1-CG 3.99Å; F432-F434 AromaticContact CD1-CZ 3.44Å; F432-F434 HydrophobicContact CD1-CZ 3.44Å; F432-F434 VanDerWaalsContact CD1-CZ 3.44Å; F432-F434 HydrophobicContact CE1-CD1 4.09Å; F432-F434 AromaticContact CE1-CE1 3.76Å; F432-F434 HydrophobicContact CE1-CE1 3.76Å; F432-F434 HydrophobicContact CE1-CE2 4.41Å; F432-F434 AromaticContact CE1-CZ 3.94Å; F432-F434 HydrophobicContact CE1-CZ 3.94Å; F432-F434 HydrophobicContact CG-CE2 4.18Å; F432-F434 HydrophobicContact CG-CZ 4.35Å; F432-F434 PolarHBondContact O-N 3.48Å |
| 433 | P | 90.6 | Very high | 85.2 | Confident | 26 Ų | 26 | 46.3 Ų | 46.3 | 17% | 0.169 | 29% | 0.288 | C | S | . | . | trans | -79.9 | 79.6 | -173.2 | 33.7 | -36.1 | 0 | 0 | 0 | 110 | G192 K195 E196 H221 | G192-P433 WeakPolarHBondContact CA-O 3.16Å; K195-P433 HydrophobicContact CB-CG 4.26Å; K195-P433 HydrophobicContact CD-CB 3.84Å; K195-P433 HydrophobicContact CD-CG 4.2Å; K195-P433 HydrophobicContact CG-CB 4.41Å; K195-P433 HydrophobicContact CG-CG 4.25Å; E196-P433 HydrophobicContact CG-CG 3.79Å; E196-P433 WeakPolarHBondContact OE1-CD 3.41Å; H221-P433 PolarHBondContact CE1-O 3.28Å; H221-P433 PolarHBondContact NE2-O 2.9Å | ||
| 434 | F | 91 | Very high | 85.3 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | trans | -71.5 | 152.6 | 163.4 | -66.6 | -73.7 | 0 | 0 | 0 | 110.2 | H221 I409 V417 M421 I429 F432 E436 P438 | H221-F434 PolarHBondContact CE1-O 2.93Å; I409-F434 HydrophobicContact CD1-CD1 3.34Å; I409-F434 HydrophobicContact CD1-CD2 4.23Å; I409-F434 HydrophobicContact CD1-CE1 3.41Å; I409-F434 VanDerWaalsContact CD1-CE1 3.41Å; I409-F434 HydrophobicContact CD1-CE2 4.28Å; I409-F434 HydrophobicContact CD1-CG 3.77Å; I409-F434 HydrophobicContact CD1-CZ 3.9Å; V417-F434 HydrophobicContact CG1-CZ 4.49Å; M421-F434 HydrophobicContact CE-CE2 4.4Å; M421-F434 HydrophobicContact CE-CZ 4.24Å; M421-F434 HydrophobicContact SD-CE2 4.49Å; M421-F434 HydrophobicContact SD-CZ 3.93Å; I429-F434 HydrophobicContact CD1-CE2 4.4Å; I429-F434 HydrophobicContact CD1-CZ 4.44Å; I429-F434 HydrophobicContact CG1-CE2 3.66Å; I429-F434 HydrophobicContact CG1-CZ 4.08Å; F432-F434 VanDerWaalsContact C-N 3.28Å; F432-F434 HydrophobicContact CB-CD2 4.36Å; F432-F434 HydrophobicContact CB-CE2 4Å; F432-F434 AromaticContact CD1-CD1 3.92Å; F432-F434 HydrophobicContact CD1-CD1 3.92Å; F432-F434 AromaticContact CD1-CD2 3.78Å; F432-F434 HydrophobicContact CD1-CD2 3.78Å; F432-F434 AromaticContact CD1-CE1 3.66Å; F432-F434 HydrophobicContact CD1-CE1 3.66Å; F432-F434 AromaticContact CD1-CE2 3.5Å; F432-F434 HydrophobicContact CD1-CE2 3.5Å; F432-F434 VanDerWaalsContact CD1-CE2 3.5Å; F432-F434 AromaticContact CD1-CG 3.99Å; F432-F434 HydrophobicContact CD1-CG 3.99Å; F432-F434 AromaticContact CD1-CZ 3.44Å; F432-F434 HydrophobicContact CD1-CZ 3.44Å; F432-F434 VanDerWaalsContact CD1-CZ 3.44Å; F432-F434 HydrophobicContact CE1-CD1 4.09Å; F432-F434 AromaticContact CE1-CE1 3.76Å; F432-F434 HydrophobicContact CE1-CE1 3.76Å; F432-F434 HydrophobicContact CE1-CE2 4.41Å; F432-F434 AromaticContact CE1-CZ 3.94Å; F432-F434 HydrophobicContact CE1-CZ 3.94Å; F432-F434 HydrophobicContact CG-CE2 4.18Å; F432-F434 HydrophobicContact CG-CZ 4.35Å; F432-F434 PolarHBondContact O-N 3.48Å; F434-E436 WeakPolarHBondContact CB-O 3.41Å; F434-E436 PolarHBondContact O-N 2.85Å; F434-P438 HydrophobicContact CD2-CG 4.49Å; F434-P438 HydrophobicContact CE2-CG 4.38Å | ||
| 435 | V | 89.9 | Confident | 85.4 | Confident | 30 Ų | 30 | 49.2 Ų | 49.2 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -60 | -39.4 | 167.9 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | L191 F218 H221 | L191-V435 HydrophobicContact CB-CG2 4.17Å; L191-V435 HydrophobicContact CD1-CG2 3.69Å; F218-V435 HydrophobicContact CD1-CG2 4.39Å; F218-V435 HydrophobicContact CE1-CG2 4.46Å; H221-V435 HydrophobicContact CB-CG2 4.49Å |
| 436 | E | 88.3 | Confident | 85.7 | Confident | 60 Ų | 60 | 46.3 Ų | 46.3 | 28% | 0.28 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -138.5 | 120.2 | 173.1 | -168 | 165.4 | 167.8 | 0 | 0 | 109 | R183 R217 P407 L410 F434 | R183-E436 IonicContact NH1-OE2 3.36Å; R217-E436 IonicContact NH1-OE2 3.87Å; R217-E436 PolarHBondContact NH1-OE2 3.13Å; P407-E436 WeakPolarHBondContact CG-OE2 3.45Å; L410-E436 HydrophobicContact CD1-CG 4.47Å; L410-E436 WeakPolarHBondContact CD1-OE1 3.45Å; F434-E436 WeakPolarHBondContact CB-O 3.41Å; F434-E436 PolarHBondContact O-N 2.85Å |
| 437 | A | 88.9 | Confident | 86.2 | Confident | 67 Ų | 67 | 45.3 Ų | 45.3 | 55% | 0.554 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 140 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 438 | P | 87.9 | Confident | 86.8 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 7% | 0.071 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 152.3 | 173.9 | 22.3 | -27 | 0 | 0 | 0 | 112.4 | I409 L414 F434 K440 I443 | I409-P438 HydrophobicContact CD1-CB 4.46Å; I409-P438 HydrophobicContact CD1-CG 4.1Å; I409-P438 HydrophobicContact CG1-CB 4.1Å; I409-P438 HydrophobicContact CG1-CG 4.26Å; L414-P438 HydrophobicContact CD1-CB 3.39Å; L414-P438 HydrophobicContact CD1-CG 3.85Å; F434-P438 HydrophobicContact CD2-CG 4.49Å; F434-P438 HydrophobicContact CE2-CG 4.38Å; P438-K440 PolarHBondContact O-N 3.33Å; P438-I443 HydrophobicContact CB-CG1 4.27Å; P438-I443 HydrophobicContact CG-CD1 4Å; P438-I443 HydrophobicContact CG-CG1 3.97Å |
| 439 | D | 85.4 | Confident | 87.4 | Confident | 57 Ų | 57 | 47.2 Ų | 47.2 | 31% | 0.305 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 135.2 | 171.5 | -170.9 | -40.5 | 0 | 0 | 0 | 110.4 | R441 N442 I443 | D439-R441 PolarHBondContact O-N 2.98Å; D439-R441 VanDerWaalsContact O-N 3.07Å; D439-R441 WeakPolarHBondContact OD1-CB 3.42Å; D439-R441 WeakPolarHBondContact OD1-CG 3.32Å; D439-R441 PolarHBondContact OD1-N 3.18Å; D439-R441 IonicContact OD1-NE 2.67Å; D439-R441 PolarHBondContact OD1-NE 2.8Å; D439-R441 IonicContact OD2-CZ 3.18Å; D439-R441 VanDerWaalsContact OD2-CZ 3.27Å; D439-R441 IonicContact OD2-NE 3.45Å; D439-R441 PolarHBondContact OD2-NE 2.84Å; D439-R441 IonicContact OD2-NH2 3.76Å; D439-R441 PolarHBondContact OD2-NH2 2.92Å; D439-N442 WeakPolarHBondContact O-CB 3.41Å; D439-N442 PolarHBondContact O-N 3.24Å; D439-I443 PolarHBondContact O-N 3.27Å; D439-I443 VanDerWaalsContact O-N 3.09Å |
| 440 | K | 86.2 | Confident | 88 | Confident | 157 Ų | 157 | 46.9 Ų | 46.9 | 68% | 0.683 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -50.7 | -33.1 | 175.2 | -67.3 | -175 | 178.2 | -177.4 | 0 | 112.8 | P438 I443 Q444 | P438-K440 PolarHBondContact O-N 3.33Å; K440-I443 PolarHBondContact O-N 3.26Å; K440-Q444 WeakPolarHBondContact O-CB 3.18Å; K440-Q444 VanDerWaalsContact O-CG 3.29Å; K440-Q444 WeakPolarHBondContact O-CG 3.27Å; K440-Q444 PolarHBondContact O-N 2.75Å |
| 441 | R | 86.3 | Confident | 88.6 | Confident | 122 Ų | 122 | 47 Ų | 47 | 46% | 0.46 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.5 | -37.9 | 177.6 | -64.9 | 175.5 | -71 | -174.7 | -0.8 | 112.5 | Y357 D439 D445 | Y357-R441 HydrophobicContact CD2-CB 4.43Å; Y357-R441 HydrophobicContact CE1-CB 4.46Å; Y357-R441 HydrophobicContact CE2-CB 4.38Å; Y357-R441 PolarHBondContact OH-NH1 3.47Å; D439-R441 PolarHBondContact O-N 2.98Å; D439-R441 VanDerWaalsContact O-N 3.07Å; D439-R441 WeakPolarHBondContact OD1-CB 3.42Å; D439-R441 WeakPolarHBondContact OD1-CG 3.32Å; D439-R441 PolarHBondContact OD1-N 3.18Å; D439-R441 IonicContact OD1-NE 2.67Å; D439-R441 PolarHBondContact OD1-NE 2.8Å; D439-R441 IonicContact OD2-CZ 3.18Å; D439-R441 VanDerWaalsContact OD2-CZ 3.27Å; D439-R441 IonicContact OD2-NE 3.45Å; D439-R441 PolarHBondContact OD2-NE 2.84Å; D439-R441 IonicContact OD2-NH2 3.76Å; D439-R441 PolarHBondContact OD2-NH2 2.92Å; R441-D445 WeakPolarHBondContact O-CB 3.3Å; R441-D445 PolarHBondContact O-N 3.33Å |
| 442 | N | 86.1 | Confident | 88.9 | Confident | 13 Ų | 13 | 44.7 Ų | 44.7 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.8 | -36.2 | 175.6 | -69.2 | -8.7 | 0 | 0 | 0 | 111 | L410 L414 D439 D445 G446 | L410-N442 PolarHBondContact O-ND2 3.48Å; L414-N442 HydrophobicContact CD1-CB 3.93Å; D439-N442 WeakPolarHBondContact O-CB 3.41Å; D439-N442 PolarHBondContact O-N 3.24Å; N442-D445 PolarHBondContact O-N 3.47Å; N442-G446 PolarHBondContact O-N 3.15Å |
| 443 | I | 87.8 | Confident | 89 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.072 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.8 | -53.9 | 172 | -65.4 | 162.9 | 0 | 0 | 0 | 110 | L414 I418 I429 P438 D439 K440 D445 G446 V447 | L414-I443 HydrophobicContact CD1-CG1 4.17Å; I418-I443 HydrophobicContact CD1-CG2 4.47Å; I429-I443 HydrophobicContact CD1-CG1 4.43Å; I429-I443 HydrophobicContact CG2-CB 4.41Å; I429-I443 HydrophobicContact CG2-CD1 3.93Å; I429-I443 HydrophobicContact CG2-CG1 4.01Å; I429-I443 HydrophobicContact CG2-CG2 3.51Å; P438-I443 HydrophobicContact CB-CG1 4.27Å; P438-I443 HydrophobicContact CG-CD1 4Å; P438-I443 HydrophobicContact CG-CG1 3.97Å; D439-I443 PolarHBondContact O-N 3.27Å; D439-I443 VanDerWaalsContact O-N 3.09Å; K440-I443 PolarHBondContact O-N 3.26Å; I443-D445 VanDerWaalsContact C-N 3.26Å; I443-D445 PolarHBondContact O-N 3Å; I443-G446 PolarHBondContact O-N 3.41Å; I443-G446 VanDerWaalsContact O-N 3.1Å; I443-V447 HydrophobicContact CG2-CG2 4.25Å; I443-V447 WeakPolarHBondContact O-CG2 3.36Å; I443-V447 PolarHBondContact O-N 3.03Å |
| 444 | Q | 87.9 | Confident | 89.1 | Confident | 104 Ų | 104 | 44.6 Ų | 44.6 | 49% | 0.486 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.1 | -37 | -179.9 | -75.4 | 175.6 | -3.5 | 0 | 0 | 112.6 | K440 R448 | K440-Q444 WeakPolarHBondContact O-CB 3.18Å; K440-Q444 VanDerWaalsContact O-CG 3.29Å; K440-Q444 WeakPolarHBondContact O-CG 3.27Å; K440-Q444 PolarHBondContact O-N 2.75Å; Q444-R448 WeakPolarHBondContact O-CB 3.03Å; Q444-R448 WeakPolarHBondContact O-CG 3.41Å; Q444-R448 PolarHBondContact O-N 2.85Å |
| 445 | D | 87.6 | Confident | 89.1 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 4% | 0.043 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.1 | -50.3 | 172.6 | 171.6 | 54.1 | 0 | 0 | 0 | 112.6 | Y355 K360 N413 R441 N442 I443 V447 R448 L449 | Y355-D445 WeakPolarHBondContact CE1-OD2 3.06Å; Y355-D445 PolarHBondContact OH-OD2 2.99Å; K360-D445 WeakPolarHBondContact CD-OD1 3.43Å; K360-D445 WeakPolarHBondContact CE-OD1 3.44Å; K360-D445 VanDerWaalsContact NZ-CG 3.32Å; K360-D445 IonicContact NZ-OD1 2.66Å; K360-D445 PolarHBondContact NZ-OD1 3.49Å; N413-D445 PolarHBondContact ND2-OD2 2.99Å; R441-D445 WeakPolarHBondContact O-CB 3.3Å; R441-D445 PolarHBondContact O-N 3.33Å; N442-D445 PolarHBondContact O-N 3.47Å; I443-D445 VanDerWaalsContact C-N 3.26Å; I443-D445 PolarHBondContact O-N 3Å; D445-V447 VanDerWaalsContact C-N 3.28Å; D445-V447 PolarHBondContact O-N 3.39Å; D445-R448 PolarHBondContact O-N 2.93Å; D445-L449 PolarHBondContact O-N 2.92Å |
| 446 | G | 89.5 | Confident | 89.1 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -39.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N442 I443 L449 L450 | N442-G446 PolarHBondContact O-N 3.15Å; I443-G446 PolarHBondContact O-N 3.41Å; I443-G446 VanDerWaalsContact O-N 3.1Å; G446-L449 PolarHBondContact O-N 2.98Å; G446-L450 WeakPolarHBondContact O-CG 3.3Å; G446-L450 PolarHBondContact O-N 2.89Å |
| 447 | V | 90.2 | Very high | 88.9 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.8 | -50.7 | 173 | 168.6 | 0 | 0 | 0 | 0 | 110.7 | I418 I443 D445 L449 L450 E451 I456 Y465 | I418-V447 HydrophobicContact CD1-CG2 4.21Å; I418-V447 HydrophobicContact CG2-CG2 4.39Å; I443-V447 HydrophobicContact CG2-CG2 4.25Å; I443-V447 WeakPolarHBondContact O-CG2 3.36Å; I443-V447 PolarHBondContact O-N 3.03Å; D445-V447 VanDerWaalsContact C-N 3.28Å; D445-V447 PolarHBondContact O-N 3.39Å; V447-L449 VanDerWaalsContact C-N 3.28Å; V447-L449 PolarHBondContact O-N 3.27Å; V447-L450 CarbonylContact O-C 3.58Å; V447-L450 WeakPolarHBondContact O-CA 3.34Å; V447-L450 WeakPolarHBondContact O-CB 3.25Å; V447-L450 PolarHBondContact O-N 3.43Å; V447-E451 HydrophobicContact CG1-CG 4.49Å; V447-E451 WeakPolarHBondContact O-CG 3.5Å; V447-E451 PolarHBondContact O-N 3.19Å; V447-I456 HydrophobicContact CB-CD1 4.2Å; V447-I456 HydrophobicContact CG1-CD1 3.68Å; V447-I456 HydrophobicContact CG2-CD1 4.44Å; V447-Y465 HydrophobicContact CG1-CD1 4.28Å; V447-Y465 HydrophobicContact CG1-CE1 3.57Å; V447-Y465 HydrophobicContact CG2-CD2 4.38Å; V447-Y465 HydrophobicContact CG2-CE1 4.2Å; V447-Y465 HydrophobicContact CG2-CE2 3.68Å |
| 448 | R | 89.1 | Confident | 87.9 | Confident | 139 Ų | 139 | 44.1 Ų | 44.1 | 53% | 0.525 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58 | -41.1 | 177.6 | -77.6 | 177.8 | -173.7 | 172.1 | 5.2 | 111.9 | Q444 D445 L450 E451 E452 | Q444-R448 WeakPolarHBondContact O-CB 3.03Å; Q444-R448 WeakPolarHBondContact O-CG 3.41Å; Q444-R448 PolarHBondContact O-N 2.85Å; D445-R448 PolarHBondContact O-N 2.93Å; R448-L450 VanDerWaalsContact C-N 3.32Å; R448-L450 PolarHBondContact O-N 3.11Å; R448-E451 PolarHBondContact O-N 3.17Å; R448-E452 WeakPolarHBondContact O-CB 3.21Å; R448-E452 VanDerWaalsContact O-CG 3.23Å; R448-E452 WeakPolarHBondContact O-CG 3.42Å; R448-E452 PolarHBondContact O-N 3.07Å |
| 449 | L | 91.2 | Very high | 86.8 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 174.8 | 176.2 | 54.4 | 0 | 0 | 0 | 111.5 | A415 D445 G446 V447 E451 E452 L453 R482 | A415-L449 HydrophobicContact CB-CB 4.27Å; A415-L449 HydrophobicContact CB-CD2 3.73Å; A415-L449 HydrophobicContact CB-CG 4.11Å; D445-L449 PolarHBondContact O-N 2.92Å; G446-L449 PolarHBondContact O-N 2.98Å; V447-L449 VanDerWaalsContact C-N 3.28Å; V447-L449 PolarHBondContact O-N 3.27Å; L449-E451 VanDerWaalsContact C-N 3.34Å; L449-E451 PolarHBondContact O-N 3.09Å; L449-E452 WeakPolarHBondContact O-CB 3.24Å; L449-E452 PolarHBondContact O-N 3.45Å; L449-L453 HydrophobicContact CD1-CD1 4.12Å; L449-L453 HydrophobicContact CD1-CG 4.14Å; L449-L453 HydrophobicContact CG-CD1 4.22Å; L449-L453 VanDerWaalsContact O-CG 3.26Å; L449-L453 WeakPolarHBondContact O-CG 3.34Å; L449-L453 PolarHBondContact O-N 3.32Å; L449-R482 HydrophobicContact CD1-CG 4.49Å; L449-R482 VanDerWaalsContact CD1-CZ 3.4Å |
| 450 | L | 92.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.1 | -33.9 | 176.4 | -67.6 | 177.5 | 0 | 0 | 0 | 112.6 | A415 I418 L419 G446 V447 R448 L453 G454 A455 I456 P481 | A415-L450 HydrophobicContact CB-CD2 4.13Å; A415-L450 HydrophobicContact CB-CG 4.09Å; I418-L450 HydrophobicContact CB-CD1 3.83Å; I418-L450 HydrophobicContact CG2-CD1 3.58Å; L419-L450 HydrophobicContact CB-CD1 4.09Å; L419-L450 HydrophobicContact CB-CD2 3.96Å; L419-L450 HydrophobicContact CD1-CD2 4.37Å; L419-L450 HydrophobicContact CD2-CD2 4.44Å; L419-L450 HydrophobicContact CG-CD2 4.49Å; G446-L450 WeakPolarHBondContact O-CG 3.3Å; G446-L450 PolarHBondContact O-N 2.89Å; V447-L450 CarbonylContact O-C 3.58Å; V447-L450 WeakPolarHBondContact O-CA 3.34Å; V447-L450 WeakPolarHBondContact O-CB 3.25Å; V447-L450 PolarHBondContact O-N 3.43Å; R448-L450 VanDerWaalsContact C-N 3.32Å; R448-L450 PolarHBondContact O-N 3.11Å; L450-L453 PolarHBondContact O-N 3.17Å; L450-G454 PolarHBondContact O-N 2.98Å; L450-G454 VanDerWaalsContact O-N 3.16Å; L450-A455 HydrophobicContact CB-CB 4.17Å; L450-A455 HydrophobicContact CD2-CB 4.07Å; L450-A455 WeakPolarHBondContact O-CB 3.4Å; L450-A455 PolarHBondContact O-N 3.28Å; L450-I456 HydrophobicContact CB-CD1 3.65Å; L450-I456 HydrophobicContact CB-CG1 3.68Å; L450-I456 HydrophobicContact CB-CG2 4.32Å; L450-I456 HydrophobicContact CD1-CD1 4.24Å; L450-I456 HydrophobicContact CD1-CG2 4.34Å; L450-P481 HydrophobicContact CD2-CB 4.12Å; L450-P481 HydrophobicContact CD2-CG 4.23Å |
| 451 | E | 90.4 | Very high | 84.1 | Confident | 61 Ų | 61 | 54.9 Ų | 54.9 | 29% | 0.285 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 170.6 | -68.4 | 177.4 | 142.5 | 0 | 0 | 111.3 | V447 R448 L449 L453 G454 I456 T458 | V447-E451 HydrophobicContact CG1-CG 4.49Å; V447-E451 WeakPolarHBondContact O-CG 3.5Å; V447-E451 PolarHBondContact O-N 3.19Å; R448-E451 PolarHBondContact O-N 3.17Å; L449-E451 VanDerWaalsContact C-N 3.34Å; L449-E451 PolarHBondContact O-N 3.09Å; E451-L453 PolarHBondContact O-N 3.29Å; E451-G454 WeakPolarHBondContact O-CA 3.47Å; E451-G454 PolarHBondContact O-N 2.87Å; E451-I456 HydrophobicContact CG-CD1 4.14Å; E451-I456 HydrophobicContact CG-CG1 3.79Å; E451-T458 WeakPolarHBondContact OE1-CG2 3.36Å; E451-T458 PolarHBondContact OE1-OG1 2.91Å; E451-T458 VanDerWaalsContact OE1-OG1 3.1Å |
| 452 | E | 90 | Very high | 82.7 | Confident | 32 Ų | 32 | 50.8 Ų | 50.8 | 15% | 0.15 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.8 | -36.3 | 175.3 | -73.3 | 174.9 | -168.8 | 0 | 0 | 111.4 | R448 L449 G454 R629 H679 L680 Y706 | R448-E452 WeakPolarHBondContact O-CB 3.21Å; R448-E452 VanDerWaalsContact O-CG 3.23Å; R448-E452 WeakPolarHBondContact O-CG 3.42Å; R448-E452 PolarHBondContact O-N 3.07Å; L449-E452 WeakPolarHBondContact O-CB 3.24Å; L449-E452 PolarHBondContact O-N 3.45Å; E452-G454 VanDerWaalsContact C-N 3.31Å; E452-R629 IonicContact OE1-NH2 3.52Å; E452-R629 PolarHBondContact OE1-NH2 2.8Å; E452-R629 IonicContact OE2-NH2 2.77Å; E452-H679 PolarHBondContact O-NE2 3.32Å; E452-L680 HydrophobicContact CG-CD2 3.98Å; E452-Y706 VanDerWaalsContact CG-OH 3.26Å; E452-Y706 WeakPolarHBondContact CG-OH 3.05Å; E452-Y706 PolarHBondContact OE1-OH 2.93Å; E452-Y706 PolarHBondContact OE2-OH 2.82Å; E452-Y706 VanDerWaalsContact OE2-OH 3.13Å |
| 453 | L | 93.1 | Very high | 81.5 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -6.5 | 175.5 | -63.9 | 173.5 | 0 | 0 | 0 | 113.6 | L449 L450 E451 A455 L470 P481 R482 R485 | L449-L453 HydrophobicContact CD1-CD1 4.12Å; L449-L453 HydrophobicContact CD1-CG 4.14Å; L449-L453 HydrophobicContact CG-CD1 4.22Å; L449-L453 VanDerWaalsContact O-CG 3.26Å; L449-L453 WeakPolarHBondContact O-CG 3.34Å; L449-L453 PolarHBondContact O-N 3.32Å; L450-L453 PolarHBondContact O-N 3.17Å; E451-L453 PolarHBondContact O-N 3.29Å; L453-A455 VanDerWaalsContact C-N 3.29Å; L453-A455 PolarHBondContact O-N 3.37Å; L453-L470 WeakPolarHBondContact O-CD2 3.39Å; L453-P481 HydrophobicContact CD1-CB 3.67Å; L453-R482 HydrophobicContact CD1-CG 4.19Å; L453-R482 HydrophobicContact CD2-CG 4.37Å; L453-R485 HydrophobicContact CD2-CB 3.96Å; L453-R485 HydrophobicContact CD2-CG 3.93Å; L453-R485 WeakPolarHBondContact O-CD 3.4Å; L453-R485 PolarHBondContact O-NE 3.06Å |
| 454 | G | 91 | Very high | 80.6 | Confident | 24 Ų | 24 | 56.9 Ų | 56.9 | 25% | 0.247 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 21.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L450 E451 E452 T468 | L450-G454 PolarHBondContact O-N 2.98Å; L450-G454 VanDerWaalsContact O-N 3.16Å; E451-G454 WeakPolarHBondContact O-CA 3.47Å; E451-G454 PolarHBondContact O-N 2.87Å; E452-G454 VanDerWaalsContact C-N 3.31Å; G454-T468 WeakPolarHBondContact O-CG2 3.08Å; G454-T468 PolarHBondContact O-OG1 2.75Å |
| 455 | A | 92.2 | Very high | 80.2 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -82 | -33.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L419 L450 L453 T468 G471 L474 | L419-A455 HydrophobicContact CD1-CB 4.19Å; L450-A455 HydrophobicContact CB-CB 4.17Å; L450-A455 HydrophobicContact CD2-CB 4.07Å; L450-A455 WeakPolarHBondContact O-CB 3.4Å; L450-A455 PolarHBondContact O-N 3.28Å; L453-A455 VanDerWaalsContact C-N 3.29Å; L453-A455 PolarHBondContact O-N 3.37Å; A455-T468 PolarHBondContact O-N 2.95Å; A455-T468 PolarHBondContact O-OG1 3.31Å; A455-G471 VanDerWaalsContact O-CA 3.24Å; A455-G471 WeakPolarHBondContact O-CA 3.13Å; A455-L474 HydrophobicContact CB-CD1 3.62Å | ||
| 456 | I | 90.6 | Very high | 80.2 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 154.5 | 179.3 | 61.5 | 178.6 | 0 | 0 | 0 | 110.6 | V447 L450 E451 Y465 K466 L467 | V447-I456 HydrophobicContact CB-CD1 4.2Å; V447-I456 HydrophobicContact CG1-CD1 3.68Å; V447-I456 HydrophobicContact CG2-CD1 4.44Å; L450-I456 HydrophobicContact CB-CD1 3.65Å; L450-I456 HydrophobicContact CB-CG1 3.68Å; L450-I456 HydrophobicContact CB-CG2 4.32Å; L450-I456 HydrophobicContact CD1-CD1 4.24Å; L450-I456 HydrophobicContact CD1-CG2 4.34Å; E451-I456 HydrophobicContact CG-CD1 4.14Å; E451-I456 HydrophobicContact CG-CG1 3.79Å; I456-Y465 HydrophobicContact CD1-CD1 4.11Å; I456-Y465 HydrophobicContact CD1-CG 4.32Å; I456-K466 WeakPolarHBondContact CA-O 3.27Å; I456-L467 HydrophobicContact CG2-CD2 3.97Å |
| 457 | T | 82.4 | Confident | 80.2 | Confident | 70 Ų | 70 | 61.2 Ų | 61.2 | 43% | 0.429 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 137.1 | 169.5 | 41.9 | 0 | 0 | 0 | 0 | 109 | K466 T468 | T457-K466 PolarHBondContact N-O 3.36Å; T457-K466 PolarHBondContact OG1-O 3.16Å; T457-T468 HydrophobicContact CG2-CG2 3.51Å |
| 458 | T | 69.4 | Low | 80.3 | Confident | 87 Ų | 87 | 61.9 Ų | 61.9 | 53% | 0.534 | 33% | 0.327 | S | S | . | . | trans | -82.3 | 114 | 167.3 | 28.9 | 0 | 0 | 0 | 0 | 108.2 | E451 Y465 | E451-T458 WeakPolarHBondContact OE1-CG2 3.36Å; E451-T458 PolarHBondContact OE1-OG1 2.91Å; E451-T458 VanDerWaalsContact OE1-OG1 3.1Å; T458-Y465 HydrophobicContact CG2-CD1 4.22Å; T458-Y465 HydrophobicContact CG2-CE1 3.93Å | ||
| 459 | D | 64.2 | Low | 80.5 | Confident | 61 Ų | 61 | 59.9 Ų | 59.9 | 33% | 0.326 | 33% | 0.332 | S | S | . | . | trans | -95.5 | 109.5 | 165.5 | -175.2 | -8.8 | 0 | 0 | 0 | 104.7 | Q461 A462 K466 | D459-Q461 PolarHBondContact O-N 3.15Å; D459-A462 HydrophobicContact CB-CB 3.91Å; D459-A462 PolarHBondContact O-N 3.49Å; D459-K466 IonicContact OD2-NZ 3.01Å; D459-K466 PolarHBondContact OD2-NZ 2.68Å | ||
| 460 | E | 58.8 | Low | 80.6 | Confident | 202 Ų | 202 | 61.4 Ų | 61.4 | 94% | 0.944 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -23 | -174.2 | -66.9 | -174.5 | 160.7 | 0 | 0 | 112.7 | ||
| 461 | Q | 56.4 | Low | 80.6 | Confident | 187 Ų | 187 | 61.4 Ų | 61.4 | 87% | 0.874 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -16.6 | -177.8 | -61.8 | 174.6 | 1.2 | 0 | 0 | 113.5 | D459 | D459-Q461 PolarHBondContact O-N 3.15Š|
| 462 | A | 57.4 | Low | 80.7 | Confident | 37 Ų | 37 | 65.3 Ų | 65.3 | 31% | 0.306 | 35% | 0.352 | S | S | . | . | trans | -98.9 | 133.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D459 A464 | D459-A462 HydrophobicContact CB-CB 3.91Å; D459-A462 PolarHBondContact O-N 3.49Å; A462-A464 PolarHBondContact O-N 2.89Å; A462-A464 VanDerWaalsContact O-N 3.16Å | ||
| 463 | S | 59.5 | Low | 80.9 | Confident | 111 Ų | 111 | 66.7 Ų | 66.7 | 78% | 0.776 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -70.2 | -7.5 | 173.5 | 93.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 464 | A | 69 | Low | 80.9 | Confident | 43 Ų | 43 | 66.5 Ų | 66.5 | 36% | 0.355 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -128.3 | 137.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A462 | A462-A464 PolarHBondContact O-N 2.89Å; A462-A464 VanDerWaalsContact O-N 3.16Å |
| 465 | Y | 80.3 | Confident | 80.8 | Confident | 76 Ų | 76 | 66.2 Ų | 66.2 | 30% | 0.298 | 35% | 0.351 | S | S | . | . | trans | -65.3 | 138.7 | 175.3 | -57.8 | -71.2 | 0 | 0 | 0 | 111.1 | T422 V447 I456 T458 | T422-Y465 VanDerWaalsContact CG2-O 3.27Å; T422-Y465 WeakPolarHBondContact CG2-O 3.32Å; V447-Y465 HydrophobicContact CG1-CD1 4.28Å; V447-Y465 HydrophobicContact CG1-CE1 3.57Å; V447-Y465 HydrophobicContact CG2-CD2 4.38Å; V447-Y465 HydrophobicContact CG2-CE1 4.2Å; V447-Y465 HydrophobicContact CG2-CE2 3.68Å; I456-Y465 HydrophobicContact CD1-CD1 4.11Å; I456-Y465 HydrophobicContact CD1-CG 4.32Å; T458-Y465 HydrophobicContact CG2-CD1 4.22Å; T458-Y465 HydrophobicContact CG2-CE1 3.93Å | ||
| 466 | K | 86.1 | Confident | 80.7 | Confident | 109 Ų | 109 | 70.6 Ų | 70.6 | 47% | 0.474 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 132.2 | 174 | -70.6 | 174.6 | -174.7 | 159.4 | 0 | 109.7 | I456 T457 D459 T468 | I456-K466 WeakPolarHBondContact CA-O 3.27Å; T457-K466 PolarHBondContact N-O 3.36Å; T457-K466 PolarHBondContact OG1-O 3.16Å; D459-K466 IonicContact OD2-NZ 3.01Å; D459-K466 PolarHBondContact OD2-NZ 2.68Å; K466-T468 PolarHBondContact O-N 2.96Å |
| 467 | L | 90.1 | Very high | 80.6 | Confident | 19 Ų | 19 | 70.7 Ų | 70.7 | 10% | 0.099 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 130 | 170.5 | -67 | 176.4 | 0 | 0 | 0 | 110.3 | L419 T422 A423 I456 R472 | L419-L467 HydrophobicContact CD1-CD2 3.55Å; T422-L467 HydrophobicContact CG2-CD2 4Å; T422-L467 HydrophobicContact CG2-CG 3.76Å; A423-L467 HydrophobicContact CB-CD1 3.79Å; I456-L467 HydrophobicContact CG2-CD2 3.97Å; L467-R472 HydrophobicContact CB-CG 3.71Å; L467-R472 HydrophobicContact CD1-CG 4.01Å; L467-R472 PolarHBondContact O-NH2 2.94Å |
| 468 | T | 93.3 | Very high | 80.6 | Confident | 21 Ų | 21 | 70.1 Ų | 70.1 | 13% | 0.129 | 37% | 0.37 | C | S | . | . | trans | -66.9 | 166.1 | 166 | 68 | 0 | 0 | 0 | 0 | 109.9 | G454 A455 T457 K466 L470 G471 R472 | G454-T468 WeakPolarHBondContact O-CG2 3.08Å; G454-T468 PolarHBondContact O-OG1 2.75Å; A455-T468 PolarHBondContact O-N 2.95Å; A455-T468 PolarHBondContact O-OG1 3.31Å; T457-T468 HydrophobicContact CG2-CG2 3.51Å; K466-T468 PolarHBondContact O-N 2.96Å; T468-L470 PolarHBondContact O-N 2.81Å; T468-L470 PolarHBondContact OG1-N 2.78Å; T468-G471 PolarHBondContact O-N 2.69Å; T468-G471 VanDerWaalsContact O-N 3.1Å; T468-G471 PolarHBondContact OG1-N 2.7Å; T468-R472 WeakPolarHBondContact O-CG 3.31Å; T468-R472 PolarHBondContact O-N 3.49Å | ||
| 469 | P | 92.6 | Very high | 81.4 | Confident | 97 Ų | 97 | 67.1 Ų | 67.1 | 63% | 0.63 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -52.8 | -41.2 | 170.2 | -27 | 36 | 0 | 0 | 0 | 112.4 | R472 Q473 | P469-R472 PolarHBondContact O-N 2.91Å; P469-Q473 PolarHBondContact O-N 2.86Å |
| 470 | L | 93.1 | Very high | 82.6 | Confident | 41 Ų | 41 | 67.3 Ų | 67.3 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 174.6 | -177.7 | 66.3 | 0 | 0 | 0 | 111.4 | L453 T468 R472 Q473 L474 L488 | L453-L470 WeakPolarHBondContact O-CD2 3.39Å; T468-L470 PolarHBondContact O-N 2.81Å; T468-L470 PolarHBondContact OG1-N 2.78Å; L470-R472 VanDerWaalsContact C-N 3.3Å; L470-R472 PolarHBondContact O-N 2.75Å; L470-Q473 WeakPolarHBondContact O-CB 3.23Å; L470-Q473 PolarHBondContact O-N 2.8Å; L470-Q473 VanDerWaalsContact O-N 3.08Å; L470-L474 HydrophobicContact CG-CD1 4.17Å; L470-L474 HydrophobicContact CG-CG 4.35Å; L470-L474 WeakPolarHBondContact O-CG 3.31Å; L470-L474 PolarHBondContact O-N 2.75Å; L470-L488 HydrophobicContact CD1-CB 4.23Å; L470-L488 HydrophobicContact CD1-CD1 3.63Å |
| 471 | G | 93.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.2 | -38 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A455 T468 L474 S475 | A455-G471 VanDerWaalsContact O-CA 3.24Å; A455-G471 WeakPolarHBondContact O-CA 3.13Å; T468-G471 PolarHBondContact O-N 2.69Å; T468-G471 VanDerWaalsContact O-N 3.1Å; T468-G471 PolarHBondContact OG1-N 2.7Å; G471-L474 PolarHBondContact O-N 2.89Å; G471-S475 WeakPolarHBondContact O-CB 3.33Å; G471-S475 PolarHBondContact O-N 2.87Å |
| 472 | R | 92.4 | Very high | 86.1 | Confident | 142 Ų | 142 | 50.8 Ų | 50.8 | 54% | 0.536 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 173.3 | -67.7 | 178.7 | -159.1 | 141.8 | 9.2 | 110.9 | L467 T468 P469 L470 S475 Q476 | L467-R472 HydrophobicContact CB-CG 3.71Å; L467-R472 HydrophobicContact CD1-CG 4.01Å; L467-R472 PolarHBondContact O-NH2 2.94Å; T468-R472 WeakPolarHBondContact O-CG 3.31Å; T468-R472 PolarHBondContact O-N 3.49Å; P469-R472 PolarHBondContact O-N 2.91Å; L470-R472 VanDerWaalsContact C-N 3.3Å; L470-R472 PolarHBondContact O-N 2.75Å; R472-S475 PolarHBondContact O-N 2.84Å; R472-S475 PolarHBondContact O-OG 2.85Å; R472-Q476 WeakPolarHBondContact O-CG 3.27Å |
| 473 | Q | 93 | Very high | 87.9 | Confident | 62 Ų | 62 | 49.9 Ų | 49.9 | 29% | 0.29 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 175.2 | -68.1 | 178.7 | -39.5 | 0 | 0 | 111.1 | P469 L470 S475 Q476 L477 L488 L589 | P469-Q473 PolarHBondContact O-N 2.86Å; L470-Q473 WeakPolarHBondContact O-CB 3.23Å; L470-Q473 PolarHBondContact O-N 2.8Å; L470-Q473 VanDerWaalsContact O-N 3.08Å; Q473-S475 VanDerWaalsContact C-N 3.27Å; Q473-S475 PolarHBondContact O-N 2.85Å; Q473-Q476 WeakPolarHBondContact O-CB 3.18Å; Q473-Q476 PolarHBondContact O-N 2.85Å; Q473-L477 WeakPolarHBondContact O-CD1 3.3Å; Q473-L488 HydrophobicContact CB-CD1 3.61Å; Q473-L488 HydrophobicContact CB-CD2 4.34Å; Q473-L589 HydrophobicContact CB-CD1 4.34Å; Q473-L589 HydrophobicContact CG-CD1 4.46Å; Q473-L589 HydrophobicContact CG-CD2 4.05Å |
| 474 | L | 93.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -53.9 | -44 | 177.7 | -69.9 | 172.9 | 0 | 0 | 0 | 112 | L419 A455 L470 G471 Q476 L477 A484 R485 L488 | L419-L474 HydrophobicContact CD2-CB 4.08Å; A455-L474 HydrophobicContact CB-CD1 3.62Å; L470-L474 HydrophobicContact CG-CD1 4.17Å; L470-L474 HydrophobicContact CG-CG 4.35Å; L470-L474 WeakPolarHBondContact O-CG 3.31Å; L470-L474 PolarHBondContact O-N 2.75Å; G471-L474 PolarHBondContact O-N 2.89Å; L474-Q476 PolarHBondContact O-N 3.33Å; L474-Q476 VanDerWaalsContact O-N 3.17Å; L474-L477 PolarHBondContact O-N 3.35Å; L474-A484 HydrophobicContact CD2-CB 3.56Å; L474-R485 VanDerWaalsContact CD2-CA 3.49Å; L474-R485 HydrophobicContact CD2-CB 4Å; L474-L488 HydrophobicContact CD2-CD1 3.57Å; L474-L488 HydrophobicContact CD2-CG 4.35Å; L474-L488 HydrophobicContact CG-CD1 3.85Å |
| 475 | S | 90.3 | Very high | 90.9 | Very high | 17 Ų | 17 | 44 Ų | 44 | 12% | 0.119 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.4 | -17.1 | -178.8 | 73.7 | 0 | 0 | 0 | 0 | 114.5 | G471 R472 Q473 | G471-S475 WeakPolarHBondContact O-CB 3.33Å; G471-S475 PolarHBondContact O-N 2.87Å; R472-S475 PolarHBondContact O-N 2.84Å; R472-S475 PolarHBondContact O-OG 2.85Å; Q473-S475 VanDerWaalsContact C-N 3.27Å; Q473-S475 PolarHBondContact O-N 2.85Å |
| 476 | Q | 88.4 | Confident | 91.7 | Very high | 92 Ų | 92 | 40.3 Ų | 40.3 | 43% | 0.43 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -86.3 | -19.2 | 178.4 | -64.7 | 173.5 | 19.6 | 0 | 0 | 112.8 | R472 Q473 L474 V585 L589 | R472-Q476 WeakPolarHBondContact O-CG 3.27Å; Q473-Q476 WeakPolarHBondContact O-CB 3.18Å; Q473-Q476 PolarHBondContact O-N 2.85Å; L474-Q476 PolarHBondContact O-N 3.33Å; L474-Q476 VanDerWaalsContact O-N 3.17Å; Q476-V585 HydrophobicContact CB-CG1 4.21Å; Q476-L589 VanDerWaalsContact OE1-CD2 3.24Å |
| 477 | L | 88.9 | Confident | 92.2 | Very high | 9 Ų | 9 | 35.1 Ų | 35.1 | 5% | 0.047 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -81.1 | 135.1 | 178.5 | -63.7 | 104.9 | 0 | 0 | 0 | 110.6 | Q473 L474 V479 A484 V487 L488 L582 V585 | Q473-L477 WeakPolarHBondContact O-CD1 3.3Å; L474-L477 PolarHBondContact O-N 3.35Å; L477-V479 HydrophobicContact CB-CG2 4.12Å; L477-V479 PolarHBondContact O-N 2.89Å; L477-A484 HydrophobicContact CB-CB 3.95Å; L477-A484 HydrophobicContact CD1-CB 3.98Å; L477-A484 HydrophobicContact CG-CB 4.4Å; L477-V487 HydrophobicContact CD2-CB 4.12Å; L477-V487 HydrophobicContact CD2-CG1 3.91Å; L477-L488 HydrophobicContact CD1-CD1 4.13Å; L477-L488 HydrophobicContact CD1-CD2 4.04Å; L477-L488 HydrophobicContact CD1-CG 4.06Å; L477-L582 HydrophobicContact CB-CD2 4.23Å; L477-L582 HydrophobicContact CD2-CD2 3.72Å; L477-L582 HydrophobicContact CG-CD2 4.49Å; L477-V585 HydrophobicContact CG-CG1 4.35Å |
| 478 | P | 82.5 | Confident | 92.5 | Very high | 58 Ų | 58 | 34.6 Ų | 34.6 | 38% | 0.377 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -82.1 | 42.8 | -177.1 | 35.4 | -39.2 | 0 | 0 | 0 | 113.2 | Q581 L582 | P478-Q581 HydrophobicContact CG-CB 4.4Å; P478-L582 HydrophobicContact CG-CD2 4.44Å |
| 479 | V | 87.1 | Confident | 92.6 | Very high | 23 Ų | 23 | 34.4 Ų | 34.4 | 14% | 0.139 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -141.2 | 168.5 | -178.6 | -63.7 | 0 | 0 | 0 | 0 | 110.8 | L477 L483 A484 S507 I578 L582 | L477-V479 HydrophobicContact CB-CG2 4.12Å; L477-V479 PolarHBondContact O-N 2.89Å; V479-L483 HydrophobicContact CB-CB 4.19Å; V479-L483 HydrophobicContact CG2-CB 3.98Å; V479-A484 HydrophobicContact CG2-CB 3.94Å; V479-S507 VanDerWaalsContact CG1-OG 3.32Å; V479-S507 WeakPolarHBondContact CG1-OG 3.42Å; V479-I578 HydrophobicContact CG1-CG2 4.24Å; V479-L582 HydrophobicContact CG1-CD1 4.39Å; V479-L582 HydrophobicContact CG1-CD2 4.05Å; V479-L582 HydrophobicContact CG2-CD2 4.14Å |
| 480 | D | 89.3 | Confident | 92.9 | Very high | 66 Ų | 66 | 29.8 Ų | 29.8 | 35% | 0.353 | 14% | 0.143 | S | C | . | . | trans | -54.4 | 142.7 | 175.8 | -178.5 | -88.5 | 0 | 0 | 0 | 111.8 | S416 R482 L483 A484 | S416-D480 PolarHBondContact OG-OD2 3.35Å; D480-R482 PolarHBondContact O-N 2.84Å; D480-R482 VanDerWaalsContact O-N 3.11Å; D480-R482 VanDerWaalsContact OD1-CB 3.28Å; D480-R482 WeakPolarHBondContact OD1-CB 3.37Å; D480-R482 PolarHBondContact OD1-N 3.01Å; D480-L483 HydrophobicContact CB-CD1 4.29Å; D480-L483 HydrophobicContact CB-CG 4.19Å; D480-L483 WeakPolarHBondContact O-CA 3.22Å; D480-L483 WeakPolarHBondContact O-CB 3.46Å; D480-L483 PolarHBondContact O-N 2.79Å; D480-A484 PolarHBondContact O-N 3.31Å | ||
| 481 | P | 92.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.019 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -51.6 | -35.3 | -179.2 | -29.1 | 34.8 | 0 | 0 | 0 | 114.5 | S416 L419 L450 L453 R485 | S416-P481 WeakPolarHBondContact OG-CD 3.15Å; L419-P481 HydrophobicContact CD2-CB 4.09Å; L419-P481 HydrophobicContact CD2-CG 3.75Å; L450-P481 HydrophobicContact CD2-CB 4.12Å; L450-P481 HydrophobicContact CD2-CG 4.23Å; L453-P481 HydrophobicContact CD1-CB 3.67Å; P481-R485 WeakPolarHBondContact O-CB 3.37Å; P481-R485 PolarHBondContact O-N 3.5Å |
| 482 | R | 94.9 | Very high | 93 | Very high | 38 Ų | 38 | 38.9 Ų | 38.9 | 14% | 0.143 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.4 | -46.1 | 175.9 | -66.4 | 178.6 | 173.1 | -84.9 | 4.8 | 110.9 | L449 L453 D480 R485 M486 G610 S613 | L449-R482 HydrophobicContact CD1-CG 4.49Å; L449-R482 VanDerWaalsContact CD1-CZ 3.4Å; L453-R482 HydrophobicContact CD1-CG 4.19Å; L453-R482 HydrophobicContact CD2-CG 4.37Å; D480-R482 PolarHBondContact O-N 2.84Å; D480-R482 VanDerWaalsContact O-N 3.11Å; D480-R482 VanDerWaalsContact OD1-CB 3.28Å; D480-R482 WeakPolarHBondContact OD1-CB 3.37Å; D480-R482 PolarHBondContact OD1-N 3.01Å; R482-R485 WeakPolarHBondContact O-CB 3.13Å; R482-R485 PolarHBondContact O-N 2.86Å; R482-M486 HydrophobicContact CB-CE 4.36Å; R482-M486 WeakPolarHBondContact O-CE 3.34Å; R482-M486 WeakPolarHBondContact O-CG 3.37Å; R482-M486 PolarHBondContact O-N 3.34Å; R482-G610 PolarHBondContact NH1-O 3.46Å; R482-G610 WeakPolarHBondContact O-CA 3.31Å; R482-S613 PolarHBondContact NH1-OG 3.36Å; R482-S613 PolarHBondContact NH2-OG 3.44Å |
| 483 | L | 95.4 | Very high | 93.1 | Very high | 19 Ų | 19 | 34.6 Ų | 34.6 | 10% | 0.099 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.6 | -43.1 | 179 | -60.2 | -176 | 0 | 0 | 0 | 110.8 | V479 D480 R485 M486 V487 T503 L506 S507 | V479-L483 HydrophobicContact CB-CB 4.19Å; V479-L483 HydrophobicContact CG2-CB 3.98Å; D480-L483 HydrophobicContact CB-CD1 4.29Å; D480-L483 HydrophobicContact CB-CG 4.19Å; D480-L483 WeakPolarHBondContact O-CA 3.22Å; D480-L483 WeakPolarHBondContact O-CB 3.46Å; D480-L483 PolarHBondContact O-N 2.79Å; L483-R485 PolarHBondContact O-N 2.88Å; L483-M486 HydrophobicContact CD2-CE 3.81Å; L483-M486 HydrophobicContact CD2-SD 4.14Å; L483-M486 WeakPolarHBondContact O-CB 3.43Å; L483-M486 PolarHBondContact O-N 3.12Å; L483-V487 PolarHBondContact O-N 2.94Å; L483-T503 HydrophobicContact CB-CG2 4.15Å; L483-T503 HydrophobicContact CD2-CG2 4.37Å; L483-T503 WeakPolarHBondContact O-CG2 3.44Å; L483-L506 HydrophobicContact CD1-CB 4.09Å; L483-L506 HydrophobicContact CD2-CB 3.96Å; L483-L506 HydrophobicContact CD2-CD1 3.68Å; L483-L506 HydrophobicContact CD2-CG 4.48Å; L483-S507 VanDerWaalsContact CD1-OG 3.28Å; L483-S507 WeakPolarHBondContact CD1-OG 3.46Å |
| 484 | A | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.5 | -40.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L474 L477 V479 D480 M486 V487 L488 | L474-A484 HydrophobicContact CD2-CB 3.56Å; L477-A484 HydrophobicContact CB-CB 3.95Å; L477-A484 HydrophobicContact CD1-CB 3.98Å; L477-A484 HydrophobicContact CG-CB 4.4Å; V479-A484 HydrophobicContact CG2-CB 3.94Å; D480-A484 PolarHBondContact O-N 3.31Å; A484-M486 VanDerWaalsContact C-N 3.32Å; A484-M486 PolarHBondContact O-N 2.9Å; A484-V487 PolarHBondContact O-N 2.83Å; A484-L488 WeakPolarHBondContact O-CG 3.46Å; A484-L488 PolarHBondContact O-N 3.47Å; A484-L488 VanDerWaalsContact O-N 3.08Å |
| 485 | R | 96.6 | Very high | 93.4 | Very high | 29 Ų | 29 | 33.4 Ų | 33.4 | 11% | 0.109 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61 | -39.2 | 178.1 | -178.5 | 66.9 | -171 | 94.7 | -1.4 | 113.1 | L453 L474 P481 R482 L483 L488 E489 T609 | L453-R485 HydrophobicContact CD2-CB 3.96Å; L453-R485 HydrophobicContact CD2-CG 3.93Å; L453-R485 WeakPolarHBondContact O-CD 3.4Å; L453-R485 PolarHBondContact O-NE 3.06Å; L474-R485 VanDerWaalsContact CD2-CA 3.49Å; L474-R485 HydrophobicContact CD2-CB 4Å; P481-R485 WeakPolarHBondContact O-CB 3.37Å; P481-R485 PolarHBondContact O-N 3.5Å; R482-R485 WeakPolarHBondContact O-CB 3.13Å; R482-R485 PolarHBondContact O-N 2.86Å; L483-R485 PolarHBondContact O-N 2.88Å; R485-L488 PolarHBondContact O-N 2.83Å; R485-E489 IonicContact CZ-OE2 2.6Å; R485-E489 IonicContact NH1-OE2 3.59Å; R485-E489 PolarHBondContact NH1-OE2 3.08Å; R485-E489 IonicContact NH2-OE2 2.74Å; R485-E489 PolarHBondContact NH2-OE2 2.88Å; R485-E489 PolarHBondContact O-N 2.74Å; R485-T609 PolarHBondContact O-OG1 2.66Å |
| 486 | M | 97.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.5 | -45.3 | 176.6 | -56.5 | 172.8 | -155 | 0 | 0 | 111.5 | R482 L483 A484 L488 E489 A490 T503 L607 L611 | R482-M486 HydrophobicContact CB-CE 4.36Å; R482-M486 WeakPolarHBondContact O-CE 3.34Å; R482-M486 WeakPolarHBondContact O-CG 3.37Å; R482-M486 PolarHBondContact O-N 3.34Å; L483-M486 HydrophobicContact CD2-CE 3.81Å; L483-M486 HydrophobicContact CD2-SD 4.14Å; L483-M486 WeakPolarHBondContact O-CB 3.43Å; L483-M486 PolarHBondContact O-N 3.12Å; A484-M486 VanDerWaalsContact C-N 3.32Å; A484-M486 PolarHBondContact O-N 2.9Å; M486-L488 VanDerWaalsContact C-N 3.32Å; M486-L488 PolarHBondContact O-N 3.35Å; M486-E489 PolarHBondContact O-N 3.28Å; M486-A490 WeakPolarHBondContact O-CB 3.16Å; M486-A490 PolarHBondContact O-N 3.04Å; M486-T503 HydrophobicContact CB-CG2 4.07Å; M486-T503 HydrophobicContact SD-CG2 4.16Å; M486-L607 HydrophobicContact CB-CD2 4.16Å; M486-L607 HydrophobicContact CG-CD2 4.24Å; M486-L607 HydrophobicContact SD-CB 4.39Å; M486-L607 HydrophobicContact SD-CD2 3.56Å; M486-L607 VanDerWaalsContact SD-CD2 3.56Å; M486-L611 HydrophobicContact CE-CD1 4.07Å; M486-L611 HydrophobicContact CE-CD2 3.54Å; M486-L611 HydrophobicContact CE-CG 3.46Å; M486-L611 VanDerWaalsContact CE-CG 3.46Å; M486-L611 HydrophobicContact SD-CG 4.49Å |
| 487 | V | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 179.4 | 177.7 | 0 | 0 | 0 | 0 | 111.2 | L477 L483 A484 A490 M500 T503 V586 | L477-V487 HydrophobicContact CD2-CB 4.12Å; L477-V487 HydrophobicContact CD2-CG1 3.91Å; L483-V487 PolarHBondContact O-N 2.94Å; A484-V487 PolarHBondContact O-N 2.83Å; V487-A490 WeakPolarHBondContact O-CB 3.39Å; V487-A490 PolarHBondContact O-N 3.08Å; V487-M500 HydrophobicContact CG1-CG 3.86Å; V487-M500 HydrophobicContact CG2-CG 4.44Å; V487-T503 HydrophobicContact CG2-CG2 3.7Å; V487-T503 VanDerWaalsContact CG2-OG1 3.3Å; V487-T503 WeakPolarHBondContact CG2-OG1 3.47Å; V487-V586 HydrophobicContact CG1-CG2 3.75Å |
| 488 | L | 96.3 | Very high | 94.6 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.7 | -38.4 | 178.4 | -65.4 | -176.4 | 0 | 0 | 0 | 112.6 | L470 Q473 L474 L477 A484 R485 M486 A490 L589 I591 | L470-L488 HydrophobicContact CD1-CB 4.23Å; L470-L488 HydrophobicContact CD1-CD1 3.63Å; Q473-L488 HydrophobicContact CB-CD1 3.61Å; Q473-L488 HydrophobicContact CB-CD2 4.34Å; L474-L488 HydrophobicContact CD2-CD1 3.57Å; L474-L488 HydrophobicContact CD2-CG 4.35Å; L474-L488 HydrophobicContact CG-CD1 3.85Å; L477-L488 HydrophobicContact CD1-CD1 4.13Å; L477-L488 HydrophobicContact CD1-CD2 4.04Å; L477-L488 HydrophobicContact CD1-CG 4.06Å; A484-L488 WeakPolarHBondContact O-CG 3.46Å; A484-L488 PolarHBondContact O-N 3.47Å; A484-L488 VanDerWaalsContact O-N 3.08Å; R485-L488 PolarHBondContact O-N 2.83Å; M486-L488 VanDerWaalsContact C-N 3.32Å; M486-L488 PolarHBondContact O-N 3.35Å; L488-A490 VanDerWaalsContact C-N 3.28Å; L488-A490 PolarHBondContact O-N 2.93Å; L488-L589 HydrophobicContact CD2-CD1 4.22Å; L488-I591 HydrophobicContact CD2-CD1 3.63Å |
| 489 | E | 96.3 | Very high | 95.4 | Very high | 16 Ų | 16 | 27.7 Ų | 27.7 | 8% | 0.075 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.6 | -33.9 | 175.6 | -161.7 | 66.9 | -170.4 | 0 | 0 | 112.1 | R485 M486 Q491 K492 A606 T609 | R485-E489 IonicContact CZ-OE2 2.6Å; R485-E489 IonicContact NH1-OE2 3.59Å; R485-E489 PolarHBondContact NH1-OE2 3.08Å; R485-E489 IonicContact NH2-OE2 2.74Å; R485-E489 PolarHBondContact NH2-OE2 2.88Å; R485-E489 PolarHBondContact O-N 2.74Å; M486-E489 PolarHBondContact O-N 3.28Å; E489-Q491 PolarHBondContact O-N 2.91Å; E489-K492 VanDerWaalsContact CD-NZ 3.32Å; E489-K492 PolarHBondContact O-N 3.48Å; E489-K492 WeakPolarHBondContact OE1-CD 3.39Å; E489-K492 IonicContact OE1-NZ 3.14Å; E489-K492 PolarHBondContact OE1-NZ 3.08Å; E489-K492 IonicContact OE2-NZ 3.61Å; E489-K492 PolarHBondContact OE2-NZ 3.47Å; E489-A606 HydrophobicContact CB-CB 4.35Å; E489-T609 HydrophobicContact CB-CG2 3.82Å; E489-T609 HydrophobicContact CG-CG2 3.48Å; E489-T609 VanDerWaalsContact CG-CG2 3.48Å |
| 490 | A | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -22.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | M486 V487 L488 K492 H493 G494 C495 V496 A499 A606 | M486-A490 WeakPolarHBondContact O-CB 3.16Å; M486-A490 PolarHBondContact O-N 3.04Å; V487-A490 WeakPolarHBondContact O-CB 3.39Å; V487-A490 PolarHBondContact O-N 3.08Å; L488-A490 VanDerWaalsContact C-N 3.28Å; L488-A490 PolarHBondContact O-N 2.93Å; A490-K492 VanDerWaalsContact C-N 3.3Å; A490-K492 PolarHBondContact O-N 2.87Å; A490-H493 PolarHBondContact O-N 2.81Å; A490-G494 PolarHBondContact O-N 3.45Å; A490-C495 VanDerWaalsContact CB-SG 3.57Å; A490-C495 PolarHBondContact O-N 3.04Å; A490-V496 VanDerWaalsContact C-CG2 3.49Å; A490-V496 HydrophobicContact CB-CB 4.48Å; A490-V496 HydrophobicContact CB-CG2 4.16Å; A490-A499 HydrophobicContact CB-CB 3.39Å; A490-A606 HydrophobicContact CB-CB 3.94Å |
| 491 | Q | 95 | Very high | 96.3 | Very high | 85 Ų | 85 | 23.5 Ų | 23.5 | 40% | 0.397 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -42.8 | 171.9 | -178.9 | 177.8 | 17.5 | 0 | 0 | 112.1 | E489 H493 V496 I591 | E489-Q491 PolarHBondContact O-N 2.91Å; Q491-H493 PolarHBondContact O-N 3.08Å; Q491-V496 VanDerWaalsContact CA-CG2 3.45Å; Q491-V496 HydrophobicContact CB-CG2 4.23Å; Q491-I591 HydrophobicContact CB-CG2 3.81Å; Q491-I591 HydrophobicContact CG-CG2 3.83Å |
| 492 | K | 94.3 | Very high | 96.6 | Very high | 147 Ų | 147 | 23.3 Ų | 23.3 | 64% | 0.639 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -20.1 | -176.7 | -59.3 | -174.4 | -161.1 | 150.9 | 0 | 112.9 | E489 A490 | E489-K492 VanDerWaalsContact CD-NZ 3.32Å; E489-K492 PolarHBondContact O-N 3.48Å; E489-K492 WeakPolarHBondContact OE1-CD 3.39Å; E489-K492 IonicContact OE1-NZ 3.14Å; E489-K492 PolarHBondContact OE1-NZ 3.08Å; E489-K492 IonicContact OE2-NZ 3.61Å; E489-K492 PolarHBondContact OE2-NZ 3.47Å; A490-K492 VanDerWaalsContact C-N 3.3Å; A490-K492 PolarHBondContact O-N 2.87Å |
| 493 | H | 94.8 | Very high | 96.6 | Very high | 52 Ų | 52 | 21.5 Ų | 21.5 | 24% | 0.241 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 4.1 | -176.8 | -61.6 | -68.1 | 0 | 0 | 0 | 113.1 | A490 Q491 C495 E602 I605 | A490-H493 PolarHBondContact O-N 2.81Å; Q491-H493 PolarHBondContact O-N 3.08Å; H493-C495 VanDerWaalsContact C-N 3.25Å; H493-C495 PolarHBondContact O-N 3Å; H493-E602 HydrophobicContact CB-CB 4.01Å; H493-E602 HydrophobicContact CB-CG 4.39Å; H493-I605 VanDerWaalsContact CE1-CG2 3.44Å; H493-I605 WeakPolarHBondContact CE1-CG2 3.13Å; H493-I605 VanDerWaalsContact NE2-CG2 3.35Å; H493-I605 WeakPolarHBondContact NE2-CG2 3.5Å |
| 494 | G | 94.8 | Very high | 96.5 | Very high | 39 Ų | 39 | 20.6 Ų | 20.6 | 40% | 0.402 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 27.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | A490 N594 | A490-G494 PolarHBondContact O-N 3.45Å; G494-N594 WeakPolarHBondContact O-CB 3.47Å; G494-N594 PolarHBondContact O-ND2 2.93Å; G494-N594 PolarHBondContact O-OD1 3.34Å |
| 495 | C | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -123.1 | 23.9 | -174.7 | 65.5 | 0 | 0 | 0 | 0 | 113.3 | A490 H493 R497 E498 A499 A598 E602 I603 A606 | A490-C495 VanDerWaalsContact CB-SG 3.57Å; A490-C495 PolarHBondContact O-N 3.04Å; H493-C495 VanDerWaalsContact C-N 3.25Å; H493-C495 PolarHBondContact O-N 3Å; C495-R497 VanDerWaalsContact C-N 3.28Å; C495-R497 PolarHBondContact O-N 2.81Å; C495-E498 PolarHBondContact O-N 3.1Å; C495-A499 WeakPolarHBondContact O-CB 3.05Å; C495-A499 PolarHBondContact O-N 3.02Å; C495-A598 HydrophobicContact CB-CB 3.38Å; C495-E602 PolarHBondContact SG-O 3.11Å; C495-I603 HydrophobicContact CB-CG1 3.87Å; C495-A606 VanDerWaalsContact SG-CB 3.59Å | ||
| 496 | V | 98 | Very high | 96.4 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57 | -40.7 | -175.6 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | A490 Q491 M500 V586 I591 P592 V593 N594 | A490-V496 VanDerWaalsContact C-CG2 3.49Å; A490-V496 HydrophobicContact CB-CB 4.48Å; A490-V496 HydrophobicContact CB-CG2 4.16Å; Q491-V496 VanDerWaalsContact CA-CG2 3.45Å; Q491-V496 HydrophobicContact CB-CG2 4.23Å; V496-M500 HydrophobicContact CG1-CE 4.11Å; V496-M500 HydrophobicContact CG1-CG 4.43Å; V496-M500 HydrophobicContact CG1-SD 4.39Å; V496-M500 WeakPolarHBondContact O-CB 3.47Å; V496-M500 VanDerWaalsContact O-CG 3.3Å; V496-M500 WeakPolarHBondContact O-CG 3.49Å; V496-M500 PolarHBondContact O-N 2.91Å; V496-V586 HydrophobicContact CG1-CG1 3.83Å; V496-I591 HydrophobicContact CG1-CG2 4.22Å; V496-I591 HydrophobicContact CG2-CG2 4.02Å; V496-P592 WeakPolarHBondContact CG2-O 3.06Å; V496-V593 HydrophobicContact CG1-CG2 4.24Å; V496-N594 PolarHBondContact N-OD1 2.95Å |
| 497 | R | 97.8 | Very high | 95.9 | Very high | 51 Ų | 51 | 22.6 Ų | 22.6 | 19% | 0.192 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.7 | -53.3 | 178.3 | 179.7 | -173.7 | 170.8 | -77.1 | -3.8 | 110.6 | C495 M500 I501 N544 V593 N594 | C495-R497 VanDerWaalsContact C-N 3.28Å; C495-R497 PolarHBondContact O-N 2.81Å; R497-M500 PolarHBondContact O-N 3.41Å; R497-I501 HydrophobicContact CG-CD1 4.12Å; R497-I501 VanDerWaalsContact O-CG1 3.28Å; R497-I501 WeakPolarHBondContact O-CG1 3.11Å; R497-I501 PolarHBondContact O-N 2.93Å; R497-N544 PolarHBondContact NH2-OD1 3.09Å; R497-V593 HydrophobicContact CB-CG1 3.89Å; R497-N594 WeakPolarHBondContact CB-OD1 3.47Å; R497-N594 PolarHBondContact N-OD1 3.37Å |
| 498 | E | 98.5 | Very high | 95.3 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.019 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.2 | -42.7 | -178.8 | -69.6 | 66 | -140.3 | 0 | 0 | 111.1 | C495 M500 I501 I502 V540 N594 I603 | C495-E498 PolarHBondContact O-N 3.1Å; E498-M500 PolarHBondContact O-N 3.41Å; E498-I501 WeakPolarHBondContact O-CB 3.38Å; E498-I501 PolarHBondContact O-N 2.75Å; E498-I502 WeakPolarHBondContact O-CB 3.46Å; E498-I502 WeakPolarHBondContact O-CD1 3.47Å; E498-I502 VanDerWaalsContact O-CG1 3.26Å; E498-I502 WeakPolarHBondContact O-CG1 3.26Å; E498-I502 PolarHBondContact O-N 2.73Å; E498-V540 HydrophobicContact CB-CG2 4.31Å; E498-V540 HydrophobicContact CG-CG1 4.16Å; E498-V540 HydrophobicContact CG-CG2 4.38Å; E498-N594 PolarHBondContact OE2-ND2 3.27Å; E498-I603 HydrophobicContact CB-CD1 3.94Å; E498-I603 HydrophobicContact CB-CG1 3.98Å; E498-I603 HydrophobicContact CG-CD1 3.81Å; E498-I603 HydrophobicContact CG-CG1 4.28Å |
| 499 | A | 98 | Very high | 94.6 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59 | -47.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A490 C495 I501 I502 T503 | A490-A499 HydrophobicContact CB-CB 3.39Å; C495-A499 WeakPolarHBondContact O-CB 3.05Å; C495-A499 PolarHBondContact O-N 3.02Å; A499-I501 VanDerWaalsContact C-N 3.34Å; A499-I501 PolarHBondContact O-N 3.14Å; A499-I502 PolarHBondContact O-N 2.92Å; A499-T503 WeakPolarHBondContact O-CB 3.18Å; A499-T503 VanDerWaalsContact O-CG2 3.23Å; A499-T503 WeakPolarHBondContact O-CG2 2.95Å; A499-T503 PolarHBondContact O-N 3Å; A499-T503 PolarHBondContact O-OG1 3.31Å |
| 500 | M | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.3 | -39.8 | 175.3 | -74 | -172.3 | -58.2 | 0 | 0 | 112.3 | V487 V496 R497 E498 T503 S504 Y579 L582 R583 V586 V593 | V487-M500 HydrophobicContact CG1-CG 3.86Å; V487-M500 HydrophobicContact CG2-CG 4.44Å; V496-M500 HydrophobicContact CG1-CE 4.11Å; V496-M500 HydrophobicContact CG1-CG 4.43Å; V496-M500 HydrophobicContact CG1-SD 4.39Å; V496-M500 WeakPolarHBondContact O-CB 3.47Å; V496-M500 VanDerWaalsContact O-CG 3.3Å; V496-M500 WeakPolarHBondContact O-CG 3.49Å; V496-M500 PolarHBondContact O-N 2.91Å; R497-M500 PolarHBondContact O-N 3.41Å; E498-M500 PolarHBondContact O-N 3.41Å; M500-T503 PolarHBondContact O-OG1 3.37Å; M500-S504 WeakPolarHBondContact O-CB 3.45Å; M500-S504 PolarHBondContact O-N 3.05Å; M500-S504 PolarHBondContact O-OG 3.41Å; M500-Y579 HydrophobicContact CB-CD2 3.63Å; M500-Y579 HydrophobicContact CB-CE2 3.55Å; M500-Y579 HydrophobicContact CE-CE2 3.82Å; M500-L582 HydrophobicContact CB-CD1 4.5Å; M500-L582 HydrophobicContact CG-CB 4.18Å; M500-L582 HydrophobicContact SD-CB 4.06Å; M500-R583 HydrophobicContact CE-CB 4.22Å; M500-R583 HydrophobicContact CE-CG 4.36Å; M500-R583 HydrophobicContact SD-CB 4.02Å; M500-V586 HydrophobicContact SD-CB 4.24Å; M500-V586 HydrophobicContact SD-CG1 4.38Å; M500-V586 HydrophobicContact SD-CG2 3.92Å; M500-V593 HydrophobicContact CE-CG1 4Å; M500-V593 HydrophobicContact CE-CG2 3.96Å |
| 501 | I | 98.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.3 | -50.6 | 176.1 | -70.2 | 163.1 | 0 | 0 | 0 | 109.6 | R497 E498 A499 A505 V540 W543 W575 Y579 | R497-I501 HydrophobicContact CG-CD1 4.12Å; R497-I501 VanDerWaalsContact O-CG1 3.28Å; R497-I501 WeakPolarHBondContact O-CG1 3.11Å; R497-I501 PolarHBondContact O-N 2.93Å; E498-I501 WeakPolarHBondContact O-CB 3.38Å; E498-I501 PolarHBondContact O-N 2.75Å; A499-I501 VanDerWaalsContact C-N 3.34Å; A499-I501 PolarHBondContact O-N 3.14Å; I501-A505 PolarHBondContact O-N 3.16Å; I501-A505 VanDerWaalsContact O-N 3.12Å; I501-V540 HydrophobicContact CG2-CG2 4.37Å; I501-W543 HydrophobicContact CB-CG 4.47Å; I501-W543 HydrophobicContact CD1-CB 4.43Å; I501-W543 HydrophobicContact CD1-CD2 4.24Å; I501-W543 HydrophobicContact CD1-CG 3.77Å; I501-W543 HydrophobicContact CG1-CD2 3.85Å; I501-W543 HydrophobicContact CG1-CE3 4.49Å; I501-W543 HydrophobicContact CG1-CG 3.85Å; I501-W543 HydrophobicContact CG1-CZ2 4.45Å; I501-W543 HydrophobicContact CG2-CB 3.61Å; I501-W543 HydrophobicContact CG2-CD2 4.02Å; I501-W543 HydrophobicContact CG2-CE3 4.27Å; I501-W543 HydrophobicContact CG2-CG 3.74Å; I501-W575 HydrophobicContact CG2-CZ2 3.58Å; I501-W575 PolarHBondContact O-NE1 3.38Å; I501-Y579 HydrophobicContact CG1-CD2 3.85Å; I501-Y579 HydrophobicContact CG1-CE2 3.62Å |
| 502 | I | 98.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.2 | -51.9 | -176.6 | -68.6 | 162.8 | 0 | 0 | 0 | 110.7 | E498 A499 S504 A505 L506 F536 V540 I603 L607 | E498-I502 WeakPolarHBondContact O-CB 3.46Å; E498-I502 WeakPolarHBondContact O-CD1 3.47Å; E498-I502 VanDerWaalsContact O-CG1 3.26Å; E498-I502 WeakPolarHBondContact O-CG1 3.26Å; E498-I502 PolarHBondContact O-N 2.73Å; A499-I502 PolarHBondContact O-N 2.92Å; I502-S504 VanDerWaalsContact C-N 3.28Å; I502-S504 PolarHBondContact O-N 3.49Å; I502-A505 WeakPolarHBondContact O-CB 3.31Å; I502-A505 PolarHBondContact O-N 2.98Å; I502-L506 HydrophobicContact CG2-CD1 3.95Å; I502-L506 HydrophobicContact CG2-CG 4.36Å; I502-L506 WeakPolarHBondContact O-CG 3.25Å; I502-L506 PolarHBondContact O-N 3.05Å; I502-F536 HydrophobicContact CD1-CB 4.03Å; I502-F536 HydrophobicContact CG1-CB 4.32Å; I502-F536 HydrophobicContact CG2-CB 4.14Å; I502-F536 HydrophobicContact CG2-CD1 3.59Å; I502-F536 HydrophobicContact CG2-CE1 4.5Å; I502-F536 HydrophobicContact CG2-CG 4.3Å; I502-V540 HydrophobicContact CD1-CG2 3.83Å; I502-V540 HydrophobicContact CG1-CG2 3.8Å; I502-I603 HydrophobicContact CD1-CG2 3.75Å; I502-L607 HydrophobicContact CD1-CD1 4.12Å; I502-L607 HydrophobicContact CG2-CD1 4.43Å; I502-L607 HydrophobicContact CG2-CD2 3.94Å |
| 503 | T | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.2 | -32.8 | -177.8 | 62 | 0 | 0 | 0 | 0 | 112.5 | L483 M486 V487 A499 M500 A505 L506 S507 | L483-T503 HydrophobicContact CB-CG2 4.15Å; L483-T503 HydrophobicContact CD2-CG2 4.37Å; L483-T503 WeakPolarHBondContact O-CG2 3.44Å; M486-T503 HydrophobicContact CB-CG2 4.07Å; M486-T503 HydrophobicContact SD-CG2 4.16Å; V487-T503 HydrophobicContact CG2-CG2 3.7Å; V487-T503 VanDerWaalsContact CG2-OG1 3.3Å; V487-T503 WeakPolarHBondContact CG2-OG1 3.47Å; A499-T503 WeakPolarHBondContact O-CB 3.18Å; A499-T503 VanDerWaalsContact O-CG2 3.23Å; A499-T503 WeakPolarHBondContact O-CG2 2.95Å; A499-T503 PolarHBondContact O-N 3Å; A499-T503 PolarHBondContact O-OG1 3.31Å; M500-T503 PolarHBondContact O-OG1 3.37Å; T503-A505 VanDerWaalsContact C-N 3.35Å; T503-L506 PolarHBondContact O-N 2.97Å; T503-S507 WeakPolarHBondContact O-CB 3.37Å; T503-S507 PolarHBondContact O-N 2.73Å; T503-S507 VanDerWaalsContact O-N 3.1Å; T503-S507 PolarHBondContact O-OG 3.39Å |
| 504 | S | 93.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.6 | -40.3 | 172.7 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | M500 I502 S507 W575 I578 Y579 L582 | M500-S504 WeakPolarHBondContact O-CB 3.45Å; M500-S504 PolarHBondContact O-N 3.05Å; M500-S504 PolarHBondContact O-OG 3.41Å; I502-S504 VanDerWaalsContact C-N 3.28Å; I502-S504 PolarHBondContact O-N 3.49Å; S504-S507 PolarHBondContact O-N 3.24Å; S504-W575 VanDerWaalsContact CB-CD1 3.4Å; S504-I578 WeakPolarHBondContact OG-CG2 3.1Å; S504-Y579 VanDerWaalsContact OG-CA 3.28Å; S504-Y579 WeakPolarHBondContact OG-CA 3.24Å; S504-Y579 PolarHBondContact OG-N 3.05Å; S504-L582 VanDerWaalsContact OG-CD1 3.3Å; S504-L582 WeakPolarHBondContact OG-CD1 3.16Å |
| 505 | A | 94.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 2% | 0.017 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I501 I502 T503 S507 I508 F539 W575 | I501-A505 PolarHBondContact O-N 3.16Å; I501-A505 VanDerWaalsContact O-N 3.12Å; I502-A505 WeakPolarHBondContact O-CB 3.31Å; I502-A505 PolarHBondContact O-N 2.98Å; T503-A505 VanDerWaalsContact C-N 3.35Å; A505-S507 PolarHBondContact O-N 3.3Å; A505-I508 VanDerWaalsContact O-CG1 3.28Å; A505-I508 WeakPolarHBondContact O-CG1 3.48Å; A505-I508 PolarHBondContact O-N 3.14Å; A505-F539 HydrophobicContact CB-CB 4.19Å; A505-F539 HydrophobicContact CB-CD1 3.62Å; A505-F539 HydrophobicContact CB-CD2 4.22Å; A505-F539 HydrophobicContact CB-CE1 3.98Å; A505-F539 HydrophobicContact CB-CG 3.76Å; A505-F539 HydrophobicContact CB-CZ 4.41Å; A505-W575 HydrophobicContact CB-CD2 4.37Å; A505-W575 HydrophobicContact CB-CZ2 3.8Å |
| 506 | L | 94 | Very high | 90.5 | Very high | 39 Ų | 39 | 27.6 Ų | 27.6 | 20% | 0.204 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67 | -20.4 | 178 | -64.3 | 176.9 | 0 | 0 | 0 | 113.3 | L483 I502 T503 I508 F536 A652 I664 | L483-L506 HydrophobicContact CD1-CB 4.09Å; L483-L506 HydrophobicContact CD2-CB 3.96Å; L483-L506 HydrophobicContact CD2-CD1 3.68Å; L483-L506 HydrophobicContact CD2-CG 4.48Å; I502-L506 HydrophobicContact CG2-CD1 3.95Å; I502-L506 HydrophobicContact CG2-CG 4.36Å; I502-L506 WeakPolarHBondContact O-CG 3.25Å; I502-L506 PolarHBondContact O-N 3.05Å; T503-L506 PolarHBondContact O-N 2.97Å; L506-I508 VanDerWaalsContact C-N 3.27Å; L506-I508 PolarHBondContact O-N 3.39Å; L506-F536 HydrophobicContact CD1-CD1 4.28Å; L506-F536 HydrophobicContact CD1-CE1 4Å; L506-A652 HydrophobicContact CD1-CB 4.31Å; L506-A652 HydrophobicContact CD2-CB 3.86Å; L506-I664 HydrophobicContact CD2-CD1 3.39Å; L506-I664 HydrophobicContact CD2-CG2 4.29Å |
| 507 | S | 87.5 | Confident | 89.4 | Confident | 29 Ų | 29 | 33.5 Ų | 33.5 | 20% | 0.203 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 0.6 | -179.3 | -62.8 | 0 | 0 | 0 | 0 | 113.9 | R140 V479 L483 T503 S504 A505 | R140-S507 PolarHBondContact NH1-O 2.69Å; V479-S507 VanDerWaalsContact CG1-OG 3.32Å; V479-S507 WeakPolarHBondContact CG1-OG 3.42Å; L483-S507 VanDerWaalsContact CD1-OG 3.28Å; L483-S507 WeakPolarHBondContact CD1-OG 3.46Å; T503-S507 WeakPolarHBondContact O-CB 3.37Å; T503-S507 PolarHBondContact O-N 2.73Å; T503-S507 VanDerWaalsContact O-N 3.1Å; T503-S507 PolarHBondContact O-OG 3.39Å; S504-S507 PolarHBondContact O-N 3.24Å; A505-S507 PolarHBondContact O-N 3.3Å |
| 508 | I | 83.3 | Confident | 88.7 | Confident | 24 Ų | 24 | 35.9 Ų | 35.9 | 12% | 0.123 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -138.3 | 170.7 | -174 | 66.8 | 162.2 | 0 | 0 | 0 | 110.5 | A505 L506 R571 E574 W575 I578 | A505-I508 VanDerWaalsContact O-CG1 3.28Å; A505-I508 WeakPolarHBondContact O-CG1 3.48Å; A505-I508 PolarHBondContact O-N 3.14Å; L506-I508 VanDerWaalsContact C-N 3.27Å; L506-I508 PolarHBondContact O-N 3.39Å; I508-R571 WeakPolarHBondContact CD1-O 3.32Å; I508-E574 HydrophobicContact CB-CG 4.02Å; I508-E574 HydrophobicContact CD1-CG 3.96Å; I508-E574 HydrophobicContact CG2-CG 3.42Å; I508-E574 VanDerWaalsContact CG2-CG 3.42Å; I508-E574 WeakPolarHBondContact CG2-OE1 3.28Å; I508-W575 HydrophobicContact CD1-CB 3.69Å; I508-W575 HydrophobicContact CD1-CG 4.36Å; I508-I578 HydrophobicContact CG2-CD1 3.12Å; I508-I578 HydrophobicContact CG2-CG1 4.43Å |
| 509 | Q | 82.9 | Confident | 87.9 | Confident | 70 Ų | 70 | 39.2 Ų | 39.2 | 33% | 0.327 | 19% | 0.188 | S | C | . | . | trans | -68.6 | 138.5 | 165.7 | -167.5 | -173.5 | -16.8 | 0 | 0 | 110.3 | R307 R571 | R307-Q509 VanDerWaalsContact CA-NE2 3.29Å; R307-Q509 VanDerWaalsContact CG-NE2 3.26Å; Q509-R571 VanDerWaalsContact CD-NH2 3.3Å; Q509-R571 VanDerWaalsContact NE2-NH1 3.19Å; Q509-R571 VanDerWaalsContact NE2-NH2 3.15Å; Q509-R571 VanDerWaalsContact OE1-CZ 3.24Å | ||
| 510 | D | 88.8 | Confident | 87.4 | Confident | 50 Ų | 50 | 47.5 Ų | 47.5 | 27% | 0.267 | 23% | 0.227 | S | C | . | . | trans | -48.7 | 125.9 | 177.6 | -162.3 | -37.8 | 0 | 0 | 0 | 111.7 | R512 R571 | D510-R512 PolarHBondContact O-N 3.14Å; D510-R512 WeakPolarHBondContact OD1-CB 3.31Å; D510-R512 WeakPolarHBondContact OD1-CG 3.44Å; D510-R512 IonicContact OD1-CZ 3.04Å; D510-R512 PolarHBondContact OD1-N 3.06Å; D510-R512 IonicContact OD1-NE 3.86Å; D510-R512 PolarHBondContact OD1-NE 2.79Å; D510-R512 IonicContact OD1-NH2 3.25Å; D510-R512 IonicContact OD2-CZ 2.79Å; D510-R512 IonicContact OD2-NE 2.89Å; D510-R512 PolarHBondContact OD2-NE 2.68Å; D510-R512 VanDerWaalsContact OD2-NE 3.15Å; D510-R512 IonicContact OD2-NH2 2.64Å; D510-R512 PolarHBondContact OD2-NH2 2.89Å; D510-R571 WeakPolarHBondContact O-CD 3.45Å; D510-R571 PolarHBondContact O-NH1 3.38Å | ||
| 511 | P | 89 | Confident | 87.1 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -67.9 | -18.7 | 177.9 | 27.4 | -36 | 0 | 0 | 0 | 113.4 | E513 L542 L567 N568 R571 V572 W575 | P511-E513 PolarHBondContact O-N 3.24Å; P511-L542 HydrophobicContact CG-CD2 4.17Å; P511-L567 WeakPolarHBondContact O-CA 3.22Å; P511-N568 PolarHBondContact O-N 3.32Å; P511-R571 HydrophobicContact CB-CB 3.94Å; P511-V572 HydrophobicContact CB-CG2 3.86Å; P511-W575 HydrophobicContact CG-CE3 3.84Å; P511-W575 HydrophobicContact CG-CZ3 3.98Å |
| 512 | R | 91.6 | Very high | 86.6 | Confident | 44 Ų | 44 | 49.2 Ų | 49.2 | 17% | 0.166 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -70.1 | 118.6 | 175.4 | -68.4 | 173.6 | -67.6 | -169.7 | 0.6 | 110.2 | D510 H526 L542 L567 | D510-R512 PolarHBondContact O-N 3.14Å; D510-R512 WeakPolarHBondContact OD1-CB 3.31Å; D510-R512 WeakPolarHBondContact OD1-CG 3.44Å; D510-R512 IonicContact OD1-CZ 3.04Å; D510-R512 PolarHBondContact OD1-N 3.06Å; D510-R512 IonicContact OD1-NE 3.86Å; D510-R512 PolarHBondContact OD1-NE 2.79Å; D510-R512 IonicContact OD1-NH2 3.25Å; D510-R512 IonicContact OD2-CZ 2.79Å; D510-R512 IonicContact OD2-NE 2.89Å; D510-R512 PolarHBondContact OD2-NE 2.68Å; D510-R512 VanDerWaalsContact OD2-NE 3.15Å; D510-R512 IonicContact OD2-NH2 2.64Å; D510-R512 PolarHBondContact OD2-NH2 2.89Å; R512-H526 VanDerWaalsContact CB-CE1 3.46Å; R512-H526 WeakPolarHBondContact CB-CE1 3.21Å; R512-L542 HydrophobicContact CG-CD2 3.98Å; R512-L567 HydrophobicContact CB-CD2 4.45Å; R512-L567 HydrophobicContact CG-CD2 3.83Å |
| 513 | E | 85.2 | Confident | 86.1 | Confident | 35 Ų | 35 | 51.9 Ų | 51.9 | 16% | 0.164 | 26% | 0.255 | C | S | . | . | trans | -92.4 | 134.6 | 172.2 | -63.1 | -179 | 150.5 | 0 | 0 | 108.9 | S309 P511 P515 H526 Y566 N568 | S309-E513 WeakPolarHBondContact CB-OE1 3.44Å; P511-E513 PolarHBondContact O-N 3.24Å; E513-P515 VanDerWaalsContact C-CD 3.43Å; E513-P515 HydrophobicContact CB-CG 4.47Å; E513-P515 WeakPolarHBondContact O-CD 3.33Å; E513-H526 PolarHBondContact O-CE1 2.81Å; E513-Y566 PolarHBondContact N-O 2.73Å; E513-Y566 VanDerWaalsContact O-CB 3.31Å; E513-Y566 WeakPolarHBondContact O-CB 3.15Å; E513-N568 HydrophobicContact CG-CB 3.89Å; E513-N568 VanDerWaalsContact OE1-CB 3.23Å; E513-N568 WeakPolarHBondContact OE1-CB 3.32Å; E513-N568 PolarHBondContact OE1-ND2 3.5Å | ||
| 514 | R | 84.9 | Confident | 85.9 | Confident | 131 Ų | 131 | 57.8 Ų | 57.8 | 49% | 0.494 | 28% | 0.283 | S | S | . | . | trans | -121.5 | 72.6 | 172.6 | -65.5 | 176 | 79 | -160.6 | 4.8 | 108.4 | M516 S522 D523 | R514-M516 PolarHBondContact O-N 2.97Å; R514-S522 WeakPolarHBondContact CA-OG 3.39Å; R514-D523 IonicContact CZ-OD1 2.84Å; R514-D523 IonicContact CZ-OD2 3.62Å; R514-D523 IonicContact NE-OD1 2.94Å; R514-D523 PolarHBondContact NE-OD1 3.21Å; R514-D523 IonicContact NH2-OD1 3.51Å; R514-D523 PolarHBondContact NH2-OD1 3.36Å; R514-D523 IonicContact NH2-OD2 2.71Å; R514-D523 PolarHBondContact NH2-OD2 2.89Å | ||
| 515 | P | 73.8 | Confident | 85.9 | Confident | 26 Ų | 26 | 61.3 Ų | 61.3 | 17% | 0.169 | 30% | 0.298 | C | S | . | . | trans | -57 | 138.4 | 179.4 | -20.8 | 33.2 | 0 | 0 | 0 | 110.1 | E513 D517 K518 Q519 Y566 | E513-P515 VanDerWaalsContact C-CD 3.43Å; E513-P515 HydrophobicContact CB-CG 4.47Å; E513-P515 WeakPolarHBondContact O-CD 3.33Å; P515-D517 VanDerWaalsContact CB-OD1 3.3Å; P515-D517 WeakPolarHBondContact CB-OD1 3.33Å; P515-D517 PolarHBondContact O-N 3.37Å; P515-K518 HydrophobicContact CB-CB 4.42Å; P515-K518 CarbonylContact O-C 3.13Å; P515-K518 VanDerWaalsContact O-C 3.23Å; P515-K518 PolarHBondContact O-N 3.22Å; P515-Q519 WeakPolarHBondContact O-CA 3.36Å; P515-Q519 WeakPolarHBondContact O-CG 2.92Å; P515-Q519 PolarHBondContact O-N 2.78Å; P515-Y566 HydrophobicContact CG-CD1 3.86Å; P515-Y566 HydrophobicContact CG-CE1 4.37Å | ||
| 516 | M | 69.6 | Low | 85.9 | Confident | 72 Ų | 72 | 61.5 Ų | 61.5 | 36% | 0.355 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -59.4 | -44.3 | -174.1 | -72.2 | -62 | -40.6 | 0 | 0 | 112.7 | R285 R514 K518 Q519 | R285-M516 VanDerWaalsContact CD-CE 3.41Å; R285-M516 VanDerWaalsContact NH1-CE 3.29Å; R285-M516 PolarHBondContact NH1-SD 2.94Å; R514-M516 PolarHBondContact O-N 2.97Å; M516-K518 PolarHBondContact O-N 2.9Å; M516-Q519 WeakPolarHBondContact O-CG 3.09Å; M516-Q519 PolarHBondContact SD-NE2 2.84Å |
| 517 | D | 75.7 | Confident | 85.8 | Confident | 126 Ų | 126 | 67.4 Ų | 67.4 | 67% | 0.674 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -65.3 | -18.5 | 178.4 | 64.3 | -43.5 | 0 | 0 | 0 | 113 | P515 | P515-D517 VanDerWaalsContact CB-OD1 3.3Å; P515-D517 WeakPolarHBondContact CB-OD1 3.33Å; P515-D517 PolarHBondContact O-N 3.37Å |
| 518 | K | 81.7 | Confident | 86.1 | Confident | 100 Ų | 100 | 71 Ų | 71 | 44% | 0.435 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -130.7 | 26.5 | -173.6 | -66.8 | 172.4 | -174.2 | -173.8 | 0 | 112.6 | P515 M516 Q520 A521 S522 Y566 | P515-K518 HydrophobicContact CB-CB 4.42Å; P515-K518 CarbonylContact O-C 3.13Å; P515-K518 VanDerWaalsContact O-C 3.23Å; P515-K518 PolarHBondContact O-N 3.22Å; M516-K518 PolarHBondContact O-N 2.9Å; K518-Q520 PolarHBondContact O-N 2.66Å; K518-A521 HydrophobicContact CB-CB 4.47Å; K518-A521 PolarHBondContact O-N 3.17Å; K518-A521 VanDerWaalsContact O-N 3.17Å; K518-S522 WeakPolarHBondContact O-CB 3.39Å; K518-S522 PolarHBondContact O-N 3.49Å; K518-S522 PolarHBondContact O-OG 2.85Å; K518-Y566 HydrophobicContact CB-CE1 3.61Å; K518-Y566 HydrophobicContact CD-CE1 3.57Å; K518-Y566 WeakPolarHBondContact CD-OH 3.5Å; K518-Y566 HydrophobicContact CG-CE1 4.18Å |
| 519 | Q | 81.7 | Confident | 86.6 | Confident | 75 Ų | 75 | 70.1 Ų | 70.1 | 35% | 0.35 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.2 | -51.7 | -177.7 | -77.7 | -173.7 | -14.8 | 0 | 0 | 112.1 | P515 M516 A521 S522 D523 | P515-Q519 WeakPolarHBondContact O-CA 3.36Å; P515-Q519 WeakPolarHBondContact O-CG 2.92Å; P515-Q519 PolarHBondContact O-N 2.78Å; M516-Q519 WeakPolarHBondContact O-CG 3.09Å; M516-Q519 PolarHBondContact SD-NE2 2.84Å; Q519-A521 VanDerWaalsContact C-N 3.29Å; Q519-A521 PolarHBondContact O-N 2.69Å; Q519-S522 WeakPolarHBondContact CA-OG 3.43Å; Q519-S522 PolarHBondContact O-N 3.33Å; Q519-S522 VanDerWaalsContact O-N 3.14Å; Q519-S522 PolarHBondContact O-OG 3.13Å; Q519-D523 WeakPolarHBondContact O-CB 3.47Å; Q519-D523 PolarHBondContact O-N 3.18Å |
| 520 | Q | 88.7 | Confident | 87.1 | Confident | 174 Ų | 174 | 70.4 Ų | 70.4 | 81% | 0.813 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.2 | -42.8 | -179.5 | -66.1 | -178.8 | 0.1 | 0 | 0 | 111.7 | K518 D523 E524 | K518-Q520 PolarHBondContact O-N 2.66Å; Q520-D523 PolarHBondContact O-N 3.14Å; Q520-E524 WeakPolarHBondContact O-CB 3.41Å; Q520-E524 PolarHBondContact O-N 3.41Å |
| 521 | A | 90.7 | Very high | 87.4 | Confident | 36 Ų | 36 | 70 Ų | 70 | 30% | 0.298 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.4 | -40.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K518 Q519 K525 Y566 | K518-A521 HydrophobicContact CB-CB 4.47Å; K518-A521 PolarHBondContact O-N 3.17Å; K518-A521 VanDerWaalsContact O-N 3.17Å; Q519-A521 VanDerWaalsContact C-N 3.29Å; Q519-A521 PolarHBondContact O-N 2.69Å; A521-K525 WeakPolarHBondContact O-CB 3.41Å; A521-K525 WeakPolarHBondContact O-CG 3.46Å; A521-K525 PolarHBondContact O-N 3.48Å; A521-Y566 HydrophobicContact CB-CE2 3.85Å; A521-Y566 WeakPolarHBondContact CB-OH 3.38Å |
| 522 | S | 87.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 175.7 | 66.3 | 0 | 0 | 0 | 0 | 111.7 | R514 K518 Q519 E524 K525 H526 Y566 | R514-S522 WeakPolarHBondContact CA-OG 3.39Å; K518-S522 WeakPolarHBondContact O-CB 3.39Å; K518-S522 PolarHBondContact O-N 3.49Å; K518-S522 PolarHBondContact O-OG 2.85Å; Q519-S522 WeakPolarHBondContact CA-OG 3.43Å; Q519-S522 PolarHBondContact O-N 3.33Å; Q519-S522 VanDerWaalsContact O-N 3.14Å; Q519-S522 PolarHBondContact O-OG 3.13Å; S522-E524 PolarHBondContact O-N 3.31Å; S522-K525 PolarHBondContact O-N 2.96Å; S522-H526 WeakPolarHBondContact O-CB 3.16Å; S522-H526 PolarHBondContact O-CD2 3.36Å; S522-H526 PolarHBondContact O-N 2.8Å; S522-Y566 VanDerWaalsContact CA-CD2 3.49Å |
| 523 | D | 88.1 | Confident | 87.6 | Confident | 56 Ų | 56 | 81.2 Ų | 81.2 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 178.6 | -71.4 | 2.1 | 0 | 0 | 0 | 110.7 | R514 Q519 Q520 K525 H526 R527 | R514-D523 IonicContact CZ-OD1 2.84Å; R514-D523 IonicContact CZ-OD2 3.62Å; R514-D523 IonicContact NE-OD1 2.94Å; R514-D523 PolarHBondContact NE-OD1 3.21Å; R514-D523 IonicContact NH2-OD1 3.51Å; R514-D523 PolarHBondContact NH2-OD1 3.36Å; R514-D523 IonicContact NH2-OD2 2.71Å; R514-D523 PolarHBondContact NH2-OD2 2.89Å; Q519-D523 WeakPolarHBondContact O-CB 3.47Å; Q519-D523 PolarHBondContact O-N 3.18Å; Q520-D523 PolarHBondContact O-N 3.14Å; D523-K525 VanDerWaalsContact C-N 3.34Å; D523-K525 PolarHBondContact O-N 3.48Å; D523-H526 PolarHBondContact O-N 2.96Å; D523-R527 WeakPolarHBondContact O-CB 3.39Å; D523-R527 PolarHBondContact O-N 3.09Å |
| 524 | E | 92.1 | Very high | 88.2 | Confident | 125 Ų | 125 | 79.6 Ų | 79.6 | 58% | 0.584 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.7 | -45.3 | 175.4 | -179.6 | 172.9 | -162.1 | 0 | 0 | 111.7 | Q520 S522 | Q520-E524 WeakPolarHBondContact O-CB 3.41Å; Q520-E524 PolarHBondContact O-N 3.41Å; S522-E524 PolarHBondContact O-N 3.31Å |
| 525 | K | 92.5 | Very high | 88.8 | Confident | 73 Ų | 73 | 73.9 Ų | 73.9 | 32% | 0.317 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.6 | -36.6 | 177.6 | -72.1 | -66.9 | -168 | 155.8 | 0 | 112.8 | A521 S522 D523 R528 D565 Y566 | A521-K525 WeakPolarHBondContact O-CB 3.41Å; A521-K525 WeakPolarHBondContact O-CG 3.46Å; A521-K525 PolarHBondContact O-N 3.48Å; S522-K525 PolarHBondContact O-N 2.96Å; D523-K525 VanDerWaalsContact C-N 3.34Å; D523-K525 PolarHBondContact O-N 3.48Å; K525-R528 VanDerWaalsContact O-CD 3.31Å; K525-R528 WeakPolarHBondContact O-CD 3.31Å; K525-R528 VanDerWaalsContact O-CG 3.26Å; K525-R528 WeakPolarHBondContact O-CG 3.29Å; K525-R528 PolarHBondContact O-NE 3.27Å; K525-D565 WeakPolarHBondContact CD-OD1 3.5Å; K525-D565 WeakPolarHBondContact CE-OD1 3.25Å; K525-D565 IonicContact NZ-OD1 2.72Å; K525-D565 PolarHBondContact NZ-OD1 2.81Å; K525-Y566 HydrophobicContact CB-CD2 4.32Å; K525-Y566 HydrophobicContact CG-CD2 4.08Å; K525-Y566 HydrophobicContact CG-CE2 4.19Å |
| 526 | H | 94.1 | Very high | 89.9 | Confident | 7 Ų | 7 | 72.7 Ų | 72.7 | 3% | 0.032 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -85.4 | -25.6 | -177.4 | -62.8 | 172.1 | 0 | 0 | 0 | 112.5 | R512 E513 S522 D523 R528 F529 D565 Y566 | R512-H526 VanDerWaalsContact CB-CE1 3.46Å; R512-H526 WeakPolarHBondContact CB-CE1 3.21Å; E513-H526 PolarHBondContact O-CE1 2.81Å; S522-H526 WeakPolarHBondContact O-CB 3.16Å; S522-H526 PolarHBondContact O-CD2 3.36Å; S522-H526 PolarHBondContact O-N 2.8Å; D523-H526 PolarHBondContact O-N 2.96Å; H526-R528 PolarHBondContact O-N 3.16Å; H526-R528 VanDerWaalsContact O-N 3.12Å; H526-F529 WeakPolarHBondContact O-CD2 3.11Å; H526-F529 PolarHBondContact O-N 3.42Å; H526-D565 PolarHBondContact CD2-O 3.3Å; H526-D565 PolarHBondContact NE2-O 2.58Å; H526-Y566 PolarHBondContact CE1-O 3.09Å; H526-Y566 VanDerWaalsContact CE1-O 3.24Å; H526-Y566 PolarHBondContact NE2-O 3.25Å |
| 527 | R | 92.1 | Very high | 91.3 | Very high | 162 Ų | 162 | 70.3 Ų | 70.3 | 61% | 0.611 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -53.6 | -31.4 | 176.6 | -175.2 | 169.1 | 59.8 | -162.8 | -2.5 | 113.2 | D523 F529 H530 | D523-R527 WeakPolarHBondContact O-CB 3.39Å; D523-R527 PolarHBondContact O-N 3.09Å; R527-F529 PolarHBondContact O-N 3.45Å; R527-H530 WeakPolarHBondContact O-CB 3.44Å; R527-H530 PolarHBondContact O-N 2.87Å; R527-H530 VanDerWaalsContact O-N 3.13Å |
| 528 | R | 93.6 | Very high | 92.3 | Very high | 106 Ų | 106 | 64.3 Ų | 64.3 | 40% | 0.4 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -19 | 176.5 | 75.6 | -167.8 | 163.9 | 167.7 | -1.2 | 114.2 | K525 H526 Y545 D565 | K525-R528 VanDerWaalsContact O-CD 3.31Å; K525-R528 WeakPolarHBondContact O-CD 3.31Å; K525-R528 VanDerWaalsContact O-CG 3.26Å; K525-R528 WeakPolarHBondContact O-CG 3.29Å; K525-R528 PolarHBondContact O-NE 3.27Å; H526-R528 PolarHBondContact O-N 3.16Å; H526-R528 VanDerWaalsContact O-N 3.12Å; R528-Y545 VanDerWaalsContact NH1-CZ 3.29Å; R528-Y545 PolarHBondContact NH1-OH 3.4Å; R528-Y545 VanDerWaalsContact NH2-CE1 3.28Å; R528-D565 IonicContact CZ-OD2 2.75Å; R528-D565 IonicContact NH1-OD2 3.11Å; R528-D565 PolarHBondContact NH1-OD2 3.34Å; R528-D565 IonicContact NH2-OD1 3.34Å; R528-D565 IonicContact NH2-OD2 3.69Å; R528-D565 PolarHBondContact NH2-OD2 3.03Å |
| 529 | F | 95.2 | Very high | 93 | Very high | 5 Ų | 5 | 59.7 Ų | 59.7 | 2% | 0.022 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -14.4 | 177.9 | -50.8 | -57.3 | 0 | 0 | 0 | 112.8 | H526 R527 D531 A538 N541 L542 Y545 | H526-F529 WeakPolarHBondContact O-CD2 3.11Å; H526-F529 PolarHBondContact O-N 3.42Å; R527-F529 PolarHBondContact O-N 3.45Å; F529-D531 PolarHBondContact O-N 3.01Å; F529-A538 VanDerWaalsContact O-CA 3.22Å; F529-A538 WeakPolarHBondContact O-CA 3.35Å; F529-A538 WeakPolarHBondContact O-CB 3.2Å; F529-N541 HydrophobicContact CB-CB 4.23Å; F529-N541 HydrophobicContact CD1-CB 4.48Å; F529-N541 PolarHBondContact O-ND2 3.38Å; F529-L542 HydrophobicContact CB-CB 4.39Å; F529-L542 HydrophobicContact CD1-CB 4.25Å; F529-L542 HydrophobicContact CD1-CD1 4.44Å; F529-L542 HydrophobicContact CD2-CB 4.31Å; F529-L542 HydrophobicContact CD2-CD1 3.86Å; F529-L542 HydrophobicContact CE1-CD1 4.11Å; F529-L542 HydrophobicContact CE2-CD1 3.46Å; F529-L542 VanDerWaalsContact CE2-CD1 3.46Å; F529-L542 HydrophobicContact CG-CB 4.06Å; F529-L542 HydrophobicContact CG-CD1 4.32Å; F529-L542 HydrophobicContact CZ-CD1 3.56Å; F529-Y545 AromaticContact CE1-CD1 3.58Å; F529-Y545 HydrophobicContact CE1-CD1 3.58Å; F529-Y545 HydrophobicContact CE1-CD2 4.31Å; F529-Y545 HydrophobicContact CE1-CE1 4.36Å; F529-Y545 AromaticContact CE1-CG 3.54Å; F529-Y545 HydrophobicContact CE1-CG 3.54Å; F529-Y545 AromaticContact CZ-CD1 3.42Å; F529-Y545 HydrophobicContact CZ-CD1 3.42Å; F529-Y545 VanDerWaalsContact CZ-CD1 3.42Å; F529-Y545 AromaticContact CZ-CE1 3.87Å; F529-Y545 HydrophobicContact CZ-CE1 3.87Å; F529-Y545 AromaticContact CZ-CG 3.9Å; F529-Y545 HydrophobicContact CZ-CG 3.9Å |
| 530 | H | 92.6 | Very high | 93.8 | Very high | 75 Ų | 75 | 56.6 Ų | 56.6 | 35% | 0.347 | 26% | 0.26 | S | S | . | . | trans | -60.4 | 131.4 | -178.4 | -86.3 | -101.8 | 0 | 0 | 0 | 110.6 | R527 | R527-H530 WeakPolarHBondContact O-CB 3.44Å; R527-H530 PolarHBondContact O-N 2.87Å; R527-H530 VanDerWaalsContact O-N 3.13Å | ||
| 531 | D | 94.4 | Very high | 94.3 | Very high | 43 Ų | 43 | 51.2 Ų | 51.2 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | trans | -97.3 | 145.9 | 163.6 | -179.3 | -94.3 | 0 | 0 | 0 | 109.2 | F529 E533 S534 L537 | F529-D531 PolarHBondContact O-N 3.01Å; D531-E533 VanDerWaalsContact C-N 3.27Å; D531-E533 PolarHBondContact O-N 2.95Å; D531-E533 WeakPolarHBondContact OD1-CA 3.38Å; D531-E533 PolarHBondContact OD1-N 3.43Å; D531-S534 WeakPolarHBondContact CB-O 3.49Å; D531-S534 PolarHBondContact OD1-N 2.45Å; D531-L537 HydrophobicContact CB-CB 3.9Å | ||
| 532 | K | 90.9 | Very high | 94.6 | Very high | 189 Ų | 189 | 49.5 Ų | 49.5 | 82% | 0.822 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -73 | -23.4 | -175 | -67.4 | 177.2 | -176.8 | 170 | 0 | 112.4 | ||
| 533 | E | 95 | Very high | 95.1 | Very high | 90 Ų | 90 | 50.9 Ų | 50.9 | 42% | 0.421 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -119.1 | -10.8 | -171.1 | -58.4 | -166.1 | 122.9 | 0 | 0 | 112.8 | D531 Y600 A666 R667 | D531-E533 VanDerWaalsContact C-N 3.27Å; D531-E533 PolarHBondContact O-N 2.95Å; D531-E533 WeakPolarHBondContact OD1-CA 3.38Å; D531-E533 PolarHBondContact OD1-N 3.43Å; E533-Y600 HydrophobicContact CB-CE2 3.78Å; E533-Y600 PolarHBondContact O-OH 3.09Å; E533-A666 CarbonylContact O-C 3.56Å; E533-A666 VanDerWaalsContact O-CA 3.27Å; E533-A666 WeakPolarHBondContact O-CA 3.49Å; E533-R667 HydrophobicContact CB-CB 4.38Å; E533-R667 PolarHBondContact O-N 3.06Å |
| 534 | S | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -152.7 | 114.1 | -176.8 | -177.5 | 0 | 0 | 0 | 0 | 115.2 | D531 F536 L537 A538 H604 A666 | D531-S534 WeakPolarHBondContact CB-O 3.49Å; D531-S534 PolarHBondContact OD1-N 2.45Å; S534-F536 PolarHBondContact O-N 3.15Å; S534-F536 WeakPolarHBondContact OG-CB 3.45Å; S534-F536 PolarHBondContact OG-N 2.66Å; S534-L537 PolarHBondContact O-N 3.06Å; S534-L537 PolarHBondContact OG-N 2.66Å; S534-A538 PolarHBondContact O-N 3.3Å; S534-H604 WeakPolarHBondContact CB-NE2 3.32Å; S534-H604 PolarHBondContact OG-CE1 3.46Å; S534-H604 PolarHBondContact OG-NE2 2.98Å; S534-A666 WeakPolarHBondContact OG-CB 3.5Å |
| 535 | D | 96.7 | Very high | 95.8 | Very high | 12 Ų | 12 | 46.6 Ų | 46.6 | 6% | 0.064 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.7 | -23.7 | 168.2 | -65 | -34.1 | 0 | 0 | 0 | 112 | A538 S639 G640 I664 A665 | D535-A538 WeakPolarHBondContact O-CB 3.32Å; D535-A538 PolarHBondContact O-N 2.77Å; D535-S639 VanDerWaalsContact CG-OG 3.29Å; D535-S639 PolarHBondContact OD1-OG 3Å; D535-S639 WeakPolarHBondContact OD2-CA 3.49Å; D535-S639 WeakPolarHBondContact OD2-CB 3.17Å; D535-S639 PolarHBondContact OD2-OG 2.75Å; D535-G640 PolarHBondContact OD1-N 3.03Å; D535-I664 HydrophobicContact CB-CB 4.42Å; D535-I664 HydrophobicContact CB-CG2 3.86Å; D535-A665 WeakPolarHBondContact CB-O 3.34Å; D535-A665 PolarHBondContact N-O 2.89Å; D535-A665 PolarHBondContact OD2-N 3.44Å |
| 536 | F | 98 | Very high | 96 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68 | -41.8 | 175.2 | -57.4 | -86.2 | 0 | 0 | 0 | 111.3 | I502 L506 S534 A538 F539 V540 L607 L611 M650 A652 I664 A666 | I502-F536 HydrophobicContact CD1-CB 4.03Å; I502-F536 HydrophobicContact CG1-CB 4.32Å; I502-F536 HydrophobicContact CG2-CB 4.14Å; I502-F536 HydrophobicContact CG2-CD1 3.59Å; I502-F536 HydrophobicContact CG2-CE1 4.5Å; I502-F536 HydrophobicContact CG2-CG 4.3Å; L506-F536 HydrophobicContact CD1-CD1 4.28Å; L506-F536 HydrophobicContact CD1-CE1 4Å; S534-F536 PolarHBondContact O-N 3.15Å; S534-F536 WeakPolarHBondContact OG-CB 3.45Å; S534-F536 PolarHBondContact OG-N 2.66Å; F536-A538 PolarHBondContact O-N 2.67Å; F536-F539 WeakPolarHBondContact O-CB 3.4Å; F536-F539 PolarHBondContact O-N 3.49Å; F536-V540 PolarHBondContact O-N 3.06Å; F536-L607 HydrophobicContact CB-CD1 4.03Å; F536-L607 HydrophobicContact CD1-CD1 4.05Å; F536-L607 HydrophobicContact CD2-CD1 4.18Å; F536-L607 HydrophobicContact CG-CD1 3.84Å; F536-L611 HydrophobicContact CE1-CD1 4.16Å; F536-L611 HydrophobicContact CZ-CD1 3.73Å; F536-M650 HydrophobicContact CD2-CE 3.77Å; F536-M650 HydrophobicContact CE2-CE 3.52Å; F536-M650 HydrophobicContact CE2-CG 4.11Å; F536-M650 HydrophobicContact CZ-CE 4.12Å; F536-A652 HydrophobicContact CE1-CB 3.78Å; F536-A652 HydrophobicContact CZ-CB 3.96Å; F536-I664 HydrophobicContact CD1-CG2 3.75Å; F536-I664 HydrophobicContact CD2-CG2 4.41Å; F536-I664 HydrophobicContact CE1-CG2 3.77Å; F536-I664 HydrophobicContact CE2-CG2 4.4Å; F536-I664 WeakPolarHBondContact CE2-O 3.39Å; F536-I664 HydrophobicContact CG-CG2 4.1Å; F536-I664 HydrophobicContact CZ-CG2 4.1Å; F536-I664 VanDerWaalsContact CZ-O 3.28Å; F536-I664 WeakPolarHBondContact CZ-O 3.22Å; F536-A666 HydrophobicContact CD2-CB 3.63Å; F536-A666 HydrophobicContact CE2-CB 3.85Å |
| 537 | L | 97.9 | Very high | 96 | Very high | 22 Ų | 22 | 44 Ų | 44 | 12% | 0.115 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.5 | -23.8 | 175.4 | -67.3 | -175.4 | 0 | 0 | 0 | 112.5 | D531 S534 F539 V540 N541 Y600 I603 | D531-L537 HydrophobicContact CB-CB 3.9Å; S534-L537 PolarHBondContact O-N 3.06Å; S534-L537 PolarHBondContact OG-N 2.66Å; L537-F539 PolarHBondContact O-N 3.46Å; L537-V540 HydrophobicContact CD2-CB 4.5Å; L537-V540 HydrophobicContact CD2-CG2 4.18Å; L537-V540 PolarHBondContact O-N 3.49Å; L537-N541 VanDerWaalsContact O-CG 3.27Å; L537-N541 PolarHBondContact O-N 3.14Å; L537-N541 PolarHBondContact O-ND2 2.78Å; L537-Y600 HydrophobicContact CD1-CD2 3.47Å; L537-Y600 VanDerWaalsContact CD1-CD2 3.47Å; L537-Y600 HydrophobicContact CD1-CE2 3.86Å; L537-I603 HydrophobicContact CD2-CD1 3.75Å; L537-I603 HydrophobicContact CD2-CG2 4.45Å |
| 538 | A | 96.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.4 | -31.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F529 S534 D535 F536 L542 | F529-A538 VanDerWaalsContact O-CA 3.22Å; F529-A538 WeakPolarHBondContact O-CA 3.35Å; F529-A538 WeakPolarHBondContact O-CB 3.2Å; S534-A538 PolarHBondContact O-N 3.3Å; D535-A538 WeakPolarHBondContact O-CB 3.32Å; D535-A538 PolarHBondContact O-N 2.77Å; F536-A538 PolarHBondContact O-N 2.67Å; A538-L542 WeakPolarHBondContact O-CB 3.33Å; A538-L542 PolarHBondContact O-N 2.99Å |
| 539 | F | 97.9 | Very high | 96.4 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.013 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.4 | -40.1 | 170.7 | -67.4 | -66.3 | 0 | 0 | 0 | 112 | A505 F536 L537 N541 L542 W543 W575 I664 | A505-F539 HydrophobicContact CB-CB 4.19Å; A505-F539 HydrophobicContact CB-CD1 3.62Å; A505-F539 HydrophobicContact CB-CD2 4.22Å; A505-F539 HydrophobicContact CB-CE1 3.98Å; A505-F539 HydrophobicContact CB-CG 3.76Å; A505-F539 HydrophobicContact CB-CZ 4.41Å; F536-F539 WeakPolarHBondContact O-CB 3.4Å; F536-F539 PolarHBondContact O-N 3.49Å; L537-F539 PolarHBondContact O-N 3.46Å; F539-N541 VanDerWaalsContact C-N 3.35Å; F539-N541 PolarHBondContact O-N 3.19Å; F539-L542 PolarHBondContact O-N 3.5Å; F539-W543 VanDerWaalsContact O-CB 3.27Å; F539-W543 WeakPolarHBondContact O-CB 3.28Å; F539-W543 PolarHBondContact O-N 2.96Å; F539-W575 HydrophobicContact CB-CH2 3.99Å; F539-W575 HydrophobicContact CB-CZ2 3.88Å; F539-W575 HydrophobicContact CD1-CH2 4.06Å; F539-W575 HydrophobicContact CD1-CZ2 4.32Å; F539-W575 WeakPolarHBondContact O-CH2 3.48Å; F539-I664 HydrophobicContact CE2-CD1 4.1Å; F539-I664 HydrophobicContact CE2-CG2 4.08Å; F539-I664 HydrophobicContact CZ-CD1 4.33Å |
| 540 | V | 98 | Very high | 96.3 | Very high | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.055 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 176.1 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | E498 I501 I502 F536 L537 W543 N544 | E498-V540 HydrophobicContact CB-CG2 4.31Å; E498-V540 HydrophobicContact CG-CG1 4.16Å; E498-V540 HydrophobicContact CG-CG2 4.38Å; I501-V540 HydrophobicContact CG2-CG2 4.37Å; I502-V540 HydrophobicContact CD1-CG2 3.83Å; I502-V540 HydrophobicContact CG1-CG2 3.8Å; F536-V540 PolarHBondContact O-N 3.06Å; L537-V540 HydrophobicContact CD2-CB 4.5Å; L537-V540 HydrophobicContact CD2-CG2 4.18Å; L537-V540 PolarHBondContact O-N 3.49Å; V540-W543 WeakPolarHBondContact O-CB 3.19Å; V540-W543 PolarHBondContact O-N 3.31Å; V540-N544 VanDerWaalsContact O-CG 3.25Å; V540-N544 PolarHBondContact O-N 2.79Å; V540-N544 PolarHBondContact O-ND2 3.5Å |
| 541 | N | 97.8 | Very high | 96.4 | Very high | 61 Ų | 61 | 47.5 Ų | 47.5 | 33% | 0.326 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 176.7 | -67.2 | -21.7 | 0 | 0 | 0 | 111.7 | F529 L537 F539 W543 N544 Y545 | F529-N541 HydrophobicContact CB-CB 4.23Å; F529-N541 HydrophobicContact CD1-CB 4.48Å; F529-N541 PolarHBondContact O-ND2 3.38Å; L537-N541 VanDerWaalsContact O-CG 3.27Å; L537-N541 PolarHBondContact O-N 3.14Å; L537-N541 PolarHBondContact O-ND2 2.78Å; F539-N541 VanDerWaalsContact C-N 3.35Å; F539-N541 PolarHBondContact O-N 3.19Å; N541-W543 VanDerWaalsContact C-N 3.33Å; N541-W543 PolarHBondContact O-N 3.2Å; N541-N544 PolarHBondContact O-N 3.33Å; N541-Y545 WeakPolarHBondContact O-CB 3.42Å; N541-Y545 PolarHBondContact O-N 3.43Å |
| 542 | L | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 176.2 | 175 | 59.5 | 0 | 0 | 0 | 111.5 | P511 R512 F529 A538 F539 Y545 L546 L567 W575 | P511-L542 HydrophobicContact CG-CD2 4.17Å; R512-L542 HydrophobicContact CG-CD2 3.98Å; F529-L542 HydrophobicContact CB-CB 4.39Å; F529-L542 HydrophobicContact CD1-CB 4.25Å; F529-L542 HydrophobicContact CD1-CD1 4.44Å; F529-L542 HydrophobicContact CD2-CB 4.31Å; F529-L542 HydrophobicContact CD2-CD1 3.86Å; F529-L542 HydrophobicContact CE1-CD1 4.11Å; F529-L542 HydrophobicContact CE2-CD1 3.46Å; F529-L542 VanDerWaalsContact CE2-CD1 3.46Å; F529-L542 HydrophobicContact CG-CB 4.06Å; F529-L542 HydrophobicContact CG-CD1 4.32Å; F529-L542 HydrophobicContact CZ-CD1 3.56Å; A538-L542 WeakPolarHBondContact O-CB 3.33Å; A538-L542 PolarHBondContact O-N 2.99Å; F539-L542 PolarHBondContact O-N 3.5Å; L542-Y545 PolarHBondContact O-N 3.04Å; L542-L546 HydrophobicContact CD1-CD1 3.88Å; L542-L546 HydrophobicContact CD1-CG 4.01Å; L542-L546 HydrophobicContact CG-CD1 3.91Å; L542-L546 HydrophobicContact CG-CG 4.45Å; L542-L546 WeakPolarHBondContact O-CB 3.25Å; L542-L546 VanDerWaalsContact O-CG 3.22Å; L542-L546 WeakPolarHBondContact O-CG 3.11Å; L542-L546 PolarHBondContact O-N 2.98Å; L542-L567 HydrophobicContact CD1-CD1 3.79Å; L542-L567 HydrophobicContact CD1-CD2 4.11Å; L542-L567 HydrophobicContact CD2-CD2 4.37Å; L542-W575 HydrophobicContact CB-CH2 4.31Å; L542-W575 HydrophobicContact CB-CZ3 4.47Å; L542-W575 HydrophobicContact CD2-CH2 4.23Å; L542-W575 HydrophobicContact CD2-CZ3 3.77Å; L542-W575 HydrophobicContact CG-CH2 4.23Å; L542-W575 HydrophobicContact CG-CZ3 3.89Å |
| 543 | W | 98 | Very high | 96.6 | Very high | 29 Ų | 29 | 43 Ų | 43 | 11% | 0.11 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -48 | 178.2 | 176.4 | -86.5 | 0 | 0 | 0 | 112.3 | I501 F539 V540 N541 Y545 L546 G547 W575 Q576 Y579 | I501-W543 HydrophobicContact CB-CG 4.47Å; I501-W543 HydrophobicContact CD1-CB 4.43Å; I501-W543 HydrophobicContact CD1-CD2 4.24Å; I501-W543 HydrophobicContact CD1-CG 3.77Å; I501-W543 HydrophobicContact CG1-CD2 3.85Å; I501-W543 HydrophobicContact CG1-CE3 4.49Å; I501-W543 HydrophobicContact CG1-CG 3.85Å; I501-W543 HydrophobicContact CG1-CZ2 4.45Å; I501-W543 HydrophobicContact CG2-CB 3.61Å; I501-W543 HydrophobicContact CG2-CD2 4.02Å; I501-W543 HydrophobicContact CG2-CE3 4.27Å; I501-W543 HydrophobicContact CG2-CG 3.74Å; F539-W543 VanDerWaalsContact O-CB 3.27Å; F539-W543 WeakPolarHBondContact O-CB 3.28Å; F539-W543 PolarHBondContact O-N 2.96Å; V540-W543 WeakPolarHBondContact O-CB 3.19Å; V540-W543 PolarHBondContact O-N 3.31Å; N541-W543 VanDerWaalsContact C-N 3.33Å; N541-W543 PolarHBondContact O-N 3.2Å; W543-Y545 PolarHBondContact O-N 3.24Å; W543-L546 PolarHBondContact O-N 3.27Å; W543-G547 PolarHBondContact O-N 3.02Å; W543-W575 HydrophobicContact CB-CH2 3.93Å; W543-W575 HydrophobicContact CB-CZ2 4.01Å; W543-W575 AromaticContact CE3-CD2 3.79Å; W543-W575 HydrophobicContact CE3-CD2 3.79Å; W543-W575 AromaticContact CE3-CE2 3.55Å; W543-W575 HydrophobicContact CE3-CE3 4.25Å; W543-W575 HydrophobicContact CE3-CG 4.22Å; W543-W575 HydrophobicContact CE3-CH2 4.37Å; W543-W575 AromaticContact CE3-CZ2 3.88Å; W543-W575 HydrophobicContact CE3-CZ2 3.88Å; W543-W575 AromaticContact CE3-NE1 3.79Å; W543-W575 AromaticContact CZ3-CD1 3.9Å; W543-W575 HydrophobicContact CZ3-CD2 4.07Å; W543-W575 AromaticContact CZ3-CG 4Å; W543-W575 HydrophobicContact CZ3-CG 4Å; W543-W575 AromaticContact CZ3-NE1 3.9Å; W543-Q576 HydrophobicContact CH2-CB 4.18Å; W543-Q576 HydrophobicContact CH2-CG 3.77Å; W543-Q576 HydrophobicContact CZ3-CB 4.28Å; W543-Q576 HydrophobicContact CZ3-CG 3.65Å; W543-Y579 VanDerWaalsContact CH2-CB 3.49Å; W543-Y579 AromaticContact CH2-CD1 3.63Å; W543-Y579 HydrophobicContact CH2-CD1 3.63Å; W543-Y579 HydrophobicContact CH2-CD2 4.09Å; W543-Y579 HydrophobicContact CH2-CE1 4.41Å; W543-Y579 AromaticContact CH2-CG 3.45Å; W543-Y579 HydrophobicContact CH2-CG 3.45Å; W543-Y579 VanDerWaalsContact CH2-CG 3.45Å; W543-Y579 AromaticContact CZ2-CD1 3.6Å; W543-Y579 HydrophobicContact CZ2-CD1 3.6Å; W543-Y579 HydrophobicContact CZ2-CD2 4.1Å; W543-Y579 AromaticContact CZ2-CE1 3.92Å; W543-Y579 HydrophobicContact CZ2-CE1 3.92Å; W543-Y579 HydrophobicContact CZ2-CE2 4.39Å; W543-Y579 AromaticContact CZ2-CG 3.7Å; W543-Y579 HydrophobicContact CZ2-CG 3.7Å; W543-Y579 HydrophobicContact CZ3-CG 4.31Å |
| 544 | N | 96.9 | Very high | 96.5 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 29% | 0.289 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.7 | -47.4 | 179.3 | -69.7 | -19 | 0 | 0 | 0 | 110.8 | R497 V540 N541 L546 G547 E548 | R497-N544 PolarHBondContact NH2-OD1 3.09Å; V540-N544 VanDerWaalsContact O-CG 3.25Å; V540-N544 PolarHBondContact O-N 2.79Å; V540-N544 PolarHBondContact O-ND2 3.5Å; N541-N544 PolarHBondContact O-N 3.33Å; N544-L546 PolarHBondContact O-N 3.17Å; N544-G547 PolarHBondContact O-N 2.81Å; N544-E548 PolarHBondContact O-N 2.94Å |
| 545 | Y | 97.4 | Very high | 95.8 | Very high | 38 Ų | 38 | 46 Ų | 46 | 15% | 0.149 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.2 | -50.3 | 174.6 | 172.2 | -103.8 | 0 | 0 | 0 | 111.8 | R528 F529 N541 L542 W543 G547 E548 Q549 L561 D565 | R528-Y545 VanDerWaalsContact NH1-CZ 3.29Å; R528-Y545 PolarHBondContact NH1-OH 3.4Å; R528-Y545 VanDerWaalsContact NH2-CE1 3.28Å; F529-Y545 AromaticContact CE1-CD1 3.58Å; F529-Y545 HydrophobicContact CE1-CD1 3.58Å; F529-Y545 HydrophobicContact CE1-CD2 4.31Å; F529-Y545 HydrophobicContact CE1-CE1 4.36Å; F529-Y545 AromaticContact CE1-CG 3.54Å; F529-Y545 HydrophobicContact CE1-CG 3.54Å; F529-Y545 AromaticContact CZ-CD1 3.42Å; F529-Y545 HydrophobicContact CZ-CD1 3.42Å; F529-Y545 VanDerWaalsContact CZ-CD1 3.42Å; F529-Y545 AromaticContact CZ-CE1 3.87Å; F529-Y545 HydrophobicContact CZ-CE1 3.87Å; F529-Y545 AromaticContact CZ-CG 3.9Å; F529-Y545 HydrophobicContact CZ-CG 3.9Å; N541-Y545 WeakPolarHBondContact O-CB 3.42Å; N541-Y545 PolarHBondContact O-N 3.43Å; L542-Y545 PolarHBondContact O-N 3.04Å; W543-Y545 PolarHBondContact O-N 3.24Å; Y545-G547 VanDerWaalsContact C-N 3.28Å; Y545-G547 PolarHBondContact O-N 3.05Å; Y545-E548 PolarHBondContact O-N 3.13Å; Y545-Q549 HydrophobicContact CD1-CG 4.31Å; Y545-Q549 HydrophobicContact CD2-CG 4Å; Y545-Q549 HydrophobicContact CE1-CG 3.93Å; Y545-Q549 HydrophobicContact CE2-CG 3.57Å; Y545-Q549 HydrophobicContact CG-CG 4.35Å; Y545-Q549 VanDerWaalsContact O-CG 3.22Å; Y545-Q549 WeakPolarHBondContact O-CG 3.33Å; Y545-Q549 PolarHBondContact O-N 3.24Å; Y545-L561 HydrophobicContact CE1-CD2 4.4Å; Y545-D565 PolarHBondContact OH-OD2 3.26Å |
| 546 | L | 96.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.9 | -40.1 | 178.7 | -71.6 | 170.8 | 0 | 0 | 0 | 111.9 | L542 W543 N544 Q549 Q550 F558 L567 V572 W575 | L542-L546 HydrophobicContact CD1-CD1 3.88Å; L542-L546 HydrophobicContact CD1-CG 4.01Å; L542-L546 HydrophobicContact CG-CD1 3.91Å; L542-L546 HydrophobicContact CG-CG 4.45Å; L542-L546 WeakPolarHBondContact O-CB 3.25Å; L542-L546 VanDerWaalsContact O-CG 3.22Å; L542-L546 WeakPolarHBondContact O-CG 3.11Å; L542-L546 PolarHBondContact O-N 2.98Å; W543-L546 PolarHBondContact O-N 3.27Å; N544-L546 PolarHBondContact O-N 3.17Å; L546-Q549 PolarHBondContact O-N 2.75Å; L546-Q550 WeakPolarHBondContact O-CB 3.35Å; L546-Q550 VanDerWaalsContact O-CG 3.32Å; L546-Q550 WeakPolarHBondContact O-CG 3.45Å; L546-Q550 PolarHBondContact O-N 3.46Å; L546-F558 HydrophobicContact CD2-CE2 3.89Å; L546-F558 HydrophobicContact CD2-CZ 3.83Å; L546-L567 HydrophobicContact CD2-CD1 3.75Å; L546-L567 HydrophobicContact CG-CD1 4.49Å; L546-V572 HydrophobicContact CD1-CG1 3.87Å; L546-V572 HydrophobicContact CD1-CG2 3.93Å; L546-W575 HydrophobicContact CD1-CZ3 4.24Å |
| 547 | G | 95.2 | Very high | 95 | Very high | 23 Ų | 23 | 52.2 Ų | 52.2 | 24% | 0.237 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | W543 N544 Y545 K551 | W543-G547 PolarHBondContact O-N 3.02Å; N544-G547 PolarHBondContact O-N 2.81Å; Y545-G547 VanDerWaalsContact C-N 3.28Å; Y545-G547 PolarHBondContact O-N 3.05Å; G547-K551 WeakPolarHBondContact O-CG 3.14Å; G547-K551 PolarHBondContact O-N 3.24Å |
| 548 | E | 96.6 | Very high | 94.7 | Very high | 123 Ų | 123 | 51.4 Ų | 51.4 | 58% | 0.575 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.9 | -46.9 | 174.6 | -71.3 | 174.6 | -179.3 | 0 | 0 | 111.6 | N544 Y545 Q550 K551 A552 | N544-E548 PolarHBondContact O-N 2.94Å; Y545-E548 PolarHBondContact O-N 3.13Å; E548-Q550 VanDerWaalsContact C-N 3.33Å; E548-Q550 PolarHBondContact O-N 3.25Å; E548-K551 PolarHBondContact O-N 3.07Å; E548-K551 VanDerWaalsContact O-N 3.16Å; E548-A552 PolarHBondContact O-N 2.96Å |
| 549 | Q | 96.9 | Very high | 94.2 | Very high | 48 Ų | 48 | 58.6 Ų | 58.6 | 22% | 0.224 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.7 | -35.2 | -179.4 | -62.5 | -59.8 | -56.3 | 0 | 0 | 112.1 | Y545 L546 K551 A552 L553 F558 L561 | Y545-Q549 HydrophobicContact CD1-CG 4.31Å; Y545-Q549 HydrophobicContact CD2-CG 4Å; Y545-Q549 HydrophobicContact CE1-CG 3.93Å; Y545-Q549 HydrophobicContact CE2-CG 3.57Å; Y545-Q549 HydrophobicContact CG-CG 4.35Å; Y545-Q549 VanDerWaalsContact O-CG 3.22Å; Y545-Q549 WeakPolarHBondContact O-CG 3.33Å; Y545-Q549 PolarHBondContact O-N 3.24Å; L546-Q549 PolarHBondContact O-N 2.75Å; Q549-K551 VanDerWaalsContact C-N 3.32Å; Q549-K551 PolarHBondContact O-N 3.05Å; Q549-A552 PolarHBondContact O-N 3.5Å; Q549-L553 HydrophobicContact CB-CD1 4.32Å; Q549-L553 WeakPolarHBondContact O-CB 3.5Å; Q549-L553 VanDerWaalsContact O-CG 3.31Å; Q549-L553 WeakPolarHBondContact O-CG 3.38Å; Q549-L553 PolarHBondContact O-N 3.09Å; Q549-F558 HydrophobicContact CB-CD2 4.15Å; Q549-F558 HydrophobicContact CB-CE2 4.21Å; Q549-L561 HydrophobicContact CB-CD2 3.52Å; Q549-L561 HydrophobicContact CG-CD2 3.57Å |
| 550 | Q | 93 | Very high | 93.8 | Very high | 61 Ų | 61 | 66.5 Ų | 66.5 | 29% | 0.285 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.6 | -31.6 | 174.2 | -78.5 | -176 | -13.4 | 0 | 0 | 113.4 | L546 E548 F558 Q576 | L546-Q550 WeakPolarHBondContact O-CB 3.35Å; L546-Q550 VanDerWaalsContact O-CG 3.32Å; L546-Q550 WeakPolarHBondContact O-CG 3.45Å; L546-Q550 PolarHBondContact O-N 3.46Å; E548-Q550 VanDerWaalsContact C-N 3.33Å; E548-Q550 PolarHBondContact O-N 3.25Å; Q550-F558 HydrophobicContact CB-CD2 4.39Å; Q550-F558 HydrophobicContact CB-CE2 4.41Å; Q550-F558 HydrophobicContact CG-CD1 3.82Å; Q550-F558 HydrophobicContact CG-CD2 3.52Å; Q550-F558 HydrophobicContact CG-CE1 3.62Å; Q550-F558 HydrophobicContact CG-CE2 3.3Å; Q550-F558 HydrophobicContact CG-CG 3.77Å; Q550-F558 HydrophobicContact CG-CZ 3.34Å; Q550-Q576 VanDerWaalsContact CD-NE2 3.26Å |
| 551 | K | 94.5 | Very high | 93.6 | Very high | 191 Ų | 191 | 67.6 Ų | 67.6 | 83% | 0.83 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -74.3 | -36.4 | 175 | -70 | 173.3 | -177.2 | 178.5 | 0 | 111.8 | G547 E548 Q549 | G547-K551 WeakPolarHBondContact O-CG 3.14Å; G547-K551 PolarHBondContact O-N 3.24Å; E548-K551 PolarHBondContact O-N 3.07Å; E548-K551 VanDerWaalsContact O-N 3.16Å; Q549-K551 VanDerWaalsContact C-N 3.32Å; Q549-K551 PolarHBondContact O-N 3.05Å |
| 552 | A | 95.4 | Very high | 93.2 | Very high | 79 Ų | 79 | 64.7 Ų | 64.7 | 65% | 0.653 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -82.9 | -28.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E548 Q549 | E548-A552 PolarHBondContact O-N 2.96Å; Q549-A552 PolarHBondContact O-N 3.5Å |
| 553 | L | 93.7 | Very high | 92.7 | Very high | 59 Ų | 59 | 74.7 Ų | 74.7 | 31% | 0.309 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -109.5 | 147.2 | -171.8 | -59.9 | 176.1 | 0 | 0 | 0 | 112.2 | Q549 A557 F558 L561 | Q549-L553 HydrophobicContact CB-CD1 4.32Å; Q549-L553 WeakPolarHBondContact O-CB 3.5Å; Q549-L553 VanDerWaalsContact O-CG 3.31Å; Q549-L553 WeakPolarHBondContact O-CG 3.38Å; Q549-L553 PolarHBondContact O-N 3.09Å; L553-A557 HydrophobicContact CB-CB 4.03Å; L553-A557 HydrophobicContact CD2-CB 4.33Å; L553-F558 HydrophobicContact CB-CB 4.21Å; L553-L561 HydrophobicContact CD1-CB 4.07Å; L553-L561 HydrophobicContact CD1-CD2 3.8Å; L553-L561 HydrophobicContact CD1-CG 4.41Å |
| 554 | S | 92.9 | Very high | 92.4 | Very high | 80 Ų | 80 | 77 Ų | 77 | 56% | 0.559 | 39% | 0.385 | S | S | * | . | trans | -62.7 | 157.1 | 165.9 | 73 | 0 | 0 | 0 | 0 | 110.9 | N556 A557 F558 | S554-N556 VanDerWaalsContact C-N 3.26Å; S554-N556 PolarHBondContact O-N 3.46Å; S554-N556 VanDerWaalsContact O-N 3.16Å; S554-A557 PolarHBondContact O-N 2.95Å; S554-A557 WeakPolarHBondContact OG-CB 3.36Å; S554-A557 PolarHBondContact OG-N 3.42Å; S554-F558 PolarHBondContact O-N 3.36Å | ||
| 555 | S | 84.2 | Confident | 92.3 | Very high | 71 Ų | 71 | 74.6 Ų | 74.6 | 50% | 0.497 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -54 | -40.3 | -177.8 | -175.9 | 0 | 0 | 0 | 0 | 113.4 | R559 | S555-R559 WeakPolarHBondContact O-CB 3.22Å; S555-R559 PolarHBondContact O-N 3.07Å |
| 556 | N | 85.4 | Confident | 92 | Very high | 129 Ų | 129 | 74.6 Ų | 74.6 | 69% | 0.69 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -69.1 | -40 | 176.7 | -73.3 | -22.1 | 0 | 0 | 0 | 112.4 | S554 R559 R560 | S554-N556 VanDerWaalsContact C-N 3.26Å; S554-N556 PolarHBondContact O-N 3.46Å; S554-N556 VanDerWaalsContact O-N 3.16Å; N556-R559 PolarHBondContact O-N 3.41Å; N556-R560 PolarHBondContact O-N 3.04Å; N556-R560 VanDerWaalsContact O-N 3.1Å |
| 557 | A | 91.5 | Very high | 91.8 | Very high | 15 Ų | 15 | 74.7 Ų | 74.7 | 12% | 0.124 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.2 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L553 S554 R560 L561 | L553-A557 HydrophobicContact CB-CB 4.03Å; L553-A557 HydrophobicContact CD2-CB 4.33Å; S554-A557 PolarHBondContact O-N 2.95Å; S554-A557 WeakPolarHBondContact OG-CB 3.36Å; S554-A557 PolarHBondContact OG-N 3.42Å; A557-R560 WeakPolarHBondContact O-CB 3.33Å; A557-R560 PolarHBondContact O-N 3.17Å; A557-L561 PolarHBondContact O-N 3.1Å |
| 558 | F | 91.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 74.3 Ų | 74.3 | 2% | 0.018 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.5 | -42 | 175.3 | 178.1 | -102.6 | 0 | 0 | 0 | 112.4 | L546 Q549 Q550 L553 S554 R560 L561 C562 Y569 V572 | L546-F558 HydrophobicContact CD2-CE2 3.89Å; L546-F558 HydrophobicContact CD2-CZ 3.83Å; Q549-F558 HydrophobicContact CB-CD2 4.15Å; Q549-F558 HydrophobicContact CB-CE2 4.21Å; Q550-F558 HydrophobicContact CB-CD2 4.39Å; Q550-F558 HydrophobicContact CB-CE2 4.41Å; Q550-F558 HydrophobicContact CG-CD1 3.82Å; Q550-F558 HydrophobicContact CG-CD2 3.52Å; Q550-F558 HydrophobicContact CG-CE1 3.62Å; Q550-F558 HydrophobicContact CG-CE2 3.3Å; Q550-F558 HydrophobicContact CG-CG 3.77Å; Q550-F558 HydrophobicContact CG-CZ 3.34Å; L553-F558 HydrophobicContact CB-CB 4.21Å; S554-F558 PolarHBondContact O-N 3.36Å; F558-R560 VanDerWaalsContact C-N 3.28Å; F558-R560 PolarHBondContact O-N 3.33Å; F558-L561 HydrophobicContact CD2-CD2 4.39Å; F558-L561 WeakPolarHBondContact O-CB 3.49Å; F558-L561 PolarHBondContact O-N 2.9Å; F558-C562 VanDerWaalsContact CE1-SG 3.52Å; F558-C562 WeakPolarHBondContact CZ-SG 3.42Å; F558-C562 PolarHBondContact O-N 2.77Å; F558-C562 PolarHBondContact O-SG 3.33Å; F558-C562 VanDerWaalsContact O-SG 3.34Å; F558-Y569 HydrophobicContact CD1-CD2 4.13Å; F558-Y569 AromaticContact CD1-CE2 3.8Å; F558-Y569 HydrophobicContact CD1-CE2 3.8Å; F558-Y569 AromaticContact CE1-CD2 3.91Å; F558-Y569 HydrophobicContact CE1-CD2 3.91Å; F558-Y569 AromaticContact CE1-CE2 3.8Å; F558-Y569 HydrophobicContact CE1-CE2 3.8Å; F558-V572 HydrophobicContact CZ-CG1 4.36Å |
| 559 | R | 86.7 | Confident | 90.7 | Very high | 152 Ų | 152 | 70.4 Ų | 70.4 | 57% | 0.574 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.3 | -39 | 174.5 | -173.7 | 175.6 | -178.9 | 174.3 | 0 | 111.7 | S555 N556 R563 Y569 | S555-R559 WeakPolarHBondContact O-CB 3.22Å; S555-R559 PolarHBondContact O-N 3.07Å; N556-R559 PolarHBondContact O-N 3.41Å; R559-R563 PolarHBondContact O-N 2.82Å; R559-Y569 HydrophobicContact CB-CD2 4.36Å; R559-Y569 HydrophobicContact CB-CE2 4.47Å; R559-Y569 HydrophobicContact CG-CD1 4.18Å; R559-Y569 HydrophobicContact CG-CD2 4.33Å; R559-Y569 HydrophobicContact CG-CG 4.04Å |
| 560 | R | 89.4 | Confident | 89.8 | Confident | 169 Ų | 169 | 71.8 Ų | 71.8 | 64% | 0.638 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.3 | -42.4 | 173.9 | -175.6 | 173.3 | 61.5 | -126.8 | -0.1 | 111.6 | N556 A557 F558 C562 R563 T564 | N556-R560 PolarHBondContact O-N 3.04Å; N556-R560 VanDerWaalsContact O-N 3.1Å; A557-R560 WeakPolarHBondContact O-CB 3.33Å; A557-R560 PolarHBondContact O-N 3.17Å; F558-R560 VanDerWaalsContact C-N 3.28Å; F558-R560 PolarHBondContact O-N 3.33Å; R560-C562 PolarHBondContact O-N 3.43Å; R560-R563 WeakPolarHBondContact O-CB 3.39Å; R560-R563 PolarHBondContact O-N 2.66Å; R560-T564 PolarHBondContact O-N 3.01Å; R560-T564 PolarHBondContact O-OG1 3.09Å; R560-T564 VanDerWaalsContact O-OG1 3.11Å |
| 561 | L | 93.3 | Very high | 89.4 | Confident | 32 Ų | 32 | 69.9 Ų | 69.9 | 17% | 0.168 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.1 | -49.5 | 175 | 179.2 | 77.3 | 0 | 0 | 0 | 111.4 | Y545 Q549 L553 A557 F558 R563 T564 D565 | Y545-L561 HydrophobicContact CE1-CD2 4.4Å; Q549-L561 HydrophobicContact CB-CD2 3.52Å; Q549-L561 HydrophobicContact CG-CD2 3.57Å; L553-L561 HydrophobicContact CD1-CB 4.07Å; L553-L561 HydrophobicContact CD1-CD2 3.8Å; L553-L561 HydrophobicContact CD1-CG 4.41Å; A557-L561 PolarHBondContact O-N 3.1Å; F558-L561 HydrophobicContact CD2-CD2 4.39Å; F558-L561 WeakPolarHBondContact O-CB 3.49Å; F558-L561 PolarHBondContact O-N 2.9Å; L561-R563 PolarHBondContact O-N 3.04Å; L561-T564 PolarHBondContact O-N 3.48Å; L561-D565 PolarHBondContact O-N 2.87Å |
| 562 | C | 90.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -52.8 | -46.8 | 177.4 | -68.2 | 0 | 0 | 0 | 0 | 110.8 | F558 R560 D565 Y566 L567 | F558-C562 VanDerWaalsContact CE1-SG 3.52Å; F558-C562 WeakPolarHBondContact CZ-SG 3.42Å; F558-C562 PolarHBondContact O-N 2.77Å; F558-C562 PolarHBondContact O-SG 3.33Å; F558-C562 VanDerWaalsContact O-SG 3.34Å; R560-C562 PolarHBondContact O-N 3.43Å; C562-D565 CarbonylContact O-C 3.24Å; C562-D565 PolarHBondContact O-N 3.37Å; C562-Y566 PolarHBondContact O-N 3.19Å; C562-L567 CarbonylContact C-O 3.57Å; C562-L567 HydrophobicContact CB-CB 4.21Å; C562-L567 WeakPolarHBondContact CB-O 3.23Å; C562-L567 WeakPolarHBondContact O-CA 3.21Å; C562-L567 PolarHBondContact O-N 3.34Å; C562-L567 VanDerWaalsContact O-O 3.13Å |
| 563 | R | 86.4 | Confident | 88.6 | Confident | 210 Ų | 210 | 61.6 Ų | 61.6 | 79% | 0.792 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.8 | -43.8 | 176.7 | -172.3 | -179.7 | -179.3 | -171.9 | 0.3 | 112.8 | R559 R560 L561 D565 Y566 | R559-R563 PolarHBondContact O-N 2.82Å; R560-R563 WeakPolarHBondContact O-CB 3.39Å; R560-R563 PolarHBondContact O-N 2.66Å; L561-R563 PolarHBondContact O-N 3.04Å; R563-D565 VanDerWaalsContact C-N 3.29Å; R563-D565 PolarHBondContact O-N 2.81Å; R563-Y566 PolarHBondContact O-N 3.37Å |
| 564 | T | 91.4 | Very high | 87.9 | Confident | 77 Ų | 77 | 60.1 Ų | 60.1 | 47% | 0.472 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.7 | -34.8 | 179.1 | -62 | 0 | 0 | 0 | 0 | 112.5 | R560 L561 Y566 | R560-T564 PolarHBondContact O-N 3.01Å; R560-T564 PolarHBondContact O-OG1 3.09Å; R560-T564 VanDerWaalsContact O-OG1 3.11Å; L561-T564 PolarHBondContact O-N 3.48Å; T564-Y566 VanDerWaalsContact C-N 3.33Å |
| 565 | D | 94.4 | Very high | 87.9 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 15.6 | -178.3 | -70 | -13.1 | 0 | 0 | 0 | 112.8 | K525 H526 R528 Y545 L561 C562 R563 L567 | K525-D565 WeakPolarHBondContact CD-OD1 3.5Å; K525-D565 WeakPolarHBondContact CE-OD1 3.25Å; K525-D565 IonicContact NZ-OD1 2.72Å; K525-D565 PolarHBondContact NZ-OD1 2.81Å; H526-D565 PolarHBondContact CD2-O 3.3Å; H526-D565 PolarHBondContact NE2-O 2.58Å; R528-D565 IonicContact CZ-OD2 2.75Å; R528-D565 IonicContact NH1-OD2 3.11Å; R528-D565 PolarHBondContact NH1-OD2 3.34Å; R528-D565 IonicContact NH2-OD1 3.34Å; R528-D565 IonicContact NH2-OD2 3.69Å; R528-D565 PolarHBondContact NH2-OD2 3.03Å; Y545-D565 PolarHBondContact OH-OD2 3.26Å; L561-D565 PolarHBondContact O-N 2.87Å; C562-D565 CarbonylContact O-C 3.24Å; C562-D565 PolarHBondContact O-N 3.37Å; R563-D565 VanDerWaalsContact C-N 3.29Å; R563-D565 PolarHBondContact O-N 2.81Å; D565-L567 HydrophobicContact CB-CD1 4.46Å; D565-L567 HydrophobicContact CB-CG 4.44Å; D565-L567 PolarHBondContact O-N 2.94Å |
| 566 | Y | 91.8 | Very high | 88.3 | Confident | 39 Ų | 39 | 54 Ų | 54 | 15% | 0.153 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 47.7 | 177.8 | -51.7 | -83.3 | 0 | 0 | 0 | 112.7 | E513 P515 K518 A521 S522 K525 H526 C562 R563 T564 | E513-Y566 PolarHBondContact N-O 2.73Å; E513-Y566 VanDerWaalsContact O-CB 3.31Å; E513-Y566 WeakPolarHBondContact O-CB 3.15Å; P515-Y566 HydrophobicContact CG-CD1 3.86Å; P515-Y566 HydrophobicContact CG-CE1 4.37Å; K518-Y566 HydrophobicContact CB-CE1 3.61Å; K518-Y566 HydrophobicContact CD-CE1 3.57Å; K518-Y566 WeakPolarHBondContact CD-OH 3.5Å; K518-Y566 HydrophobicContact CG-CE1 4.18Å; A521-Y566 HydrophobicContact CB-CE2 3.85Å; A521-Y566 WeakPolarHBondContact CB-OH 3.38Å; S522-Y566 VanDerWaalsContact CA-CD2 3.49Å; K525-Y566 HydrophobicContact CB-CD2 4.32Å; K525-Y566 HydrophobicContact CG-CD2 4.08Å; K525-Y566 HydrophobicContact CG-CE2 4.19Å; H526-Y566 PolarHBondContact CE1-O 3.09Å; H526-Y566 VanDerWaalsContact CE1-O 3.24Å; H526-Y566 PolarHBondContact NE2-O 3.25Å; C562-Y566 PolarHBondContact O-N 3.19Å; R563-Y566 PolarHBondContact O-N 3.37Å; T564-Y566 VanDerWaalsContact C-N 3.33Å |
| 567 | L | 92.2 | Very high | 88.1 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -117.9 | 128.5 | 175.4 | -57.7 | 176.9 | 0 | 0 | 0 | 109.3 | P511 R512 L542 L546 C562 D565 Y569 V572 | P511-L567 WeakPolarHBondContact O-CA 3.22Å; R512-L567 HydrophobicContact CB-CD2 4.45Å; R512-L567 HydrophobicContact CG-CD2 3.83Å; L542-L567 HydrophobicContact CD1-CD1 3.79Å; L542-L567 HydrophobicContact CD1-CD2 4.11Å; L542-L567 HydrophobicContact CD2-CD2 4.37Å; L546-L567 HydrophobicContact CD2-CD1 3.75Å; L546-L567 HydrophobicContact CG-CD1 4.49Å; C562-L567 CarbonylContact C-O 3.57Å; C562-L567 HydrophobicContact CB-CB 4.21Å; C562-L567 WeakPolarHBondContact CB-O 3.23Å; C562-L567 WeakPolarHBondContact O-CA 3.21Å; C562-L567 PolarHBondContact O-N 3.34Å; C562-L567 VanDerWaalsContact O-O 3.13Å; D565-L567 HydrophobicContact CB-CD1 4.46Å; D565-L567 HydrophobicContact CB-CG 4.44Å; D565-L567 PolarHBondContact O-N 2.94Å; L567-Y569 PolarHBondContact O-N 3.4Å; L567-Y569 VanDerWaalsContact O-N 3.1Å; L567-V572 HydrophobicContact CB-CG2 4.43Å |
| 568 | N | 84.7 | Confident | 87.8 | Confident | 15 Ų | 15 | 49.6 Ų | 49.6 | 8% | 0.08 | 21% | 0.212 | C | C | . | . | trans | -72.6 | 106 | 175.4 | -169 | -64.4 | 0 | 0 | 0 | 110 | P511 E513 L570 R571 V572 | P511-N568 PolarHBondContact O-N 3.32Å; E513-N568 HydrophobicContact CG-CB 3.89Å; E513-N568 VanDerWaalsContact OE1-CB 3.23Å; E513-N568 WeakPolarHBondContact OE1-CB 3.32Å; E513-N568 PolarHBondContact OE1-ND2 3.5Å; N568-L570 PolarHBondContact O-N 3.2Å; N568-L570 WeakPolarHBondContact OD1-CB 3.31Å; N568-L570 PolarHBondContact OD1-N 3.02Å; N568-R571 HydrophobicContact CB-CB 3.98Å; N568-R571 HydrophobicContact CB-CG 3.93Å; N568-R571 PolarHBondContact O-N 3.05Å; N568-R571 VanDerWaalsContact O-N 3.08Å; N568-R571 PolarHBondContact OD1-N 3.28Å; N568-V572 WeakPolarHBondContact O-CG2 3.42Å; N568-V572 PolarHBondContact O-N 3.32Å | ||
| 569 | Y | 83.9 | Confident | 87.9 | Confident | 40 Ų | 40 | 50.3 Ų | 50.3 | 16% | 0.157 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.2 | -35.8 | -179 | 173.9 | -103.2 | 0 | 0 | 0 | 113.5 | F558 R559 L567 V572 R573 | F558-Y569 HydrophobicContact CD1-CD2 4.13Å; F558-Y569 AromaticContact CD1-CE2 3.8Å; F558-Y569 HydrophobicContact CD1-CE2 3.8Å; F558-Y569 AromaticContact CE1-CD2 3.91Å; F558-Y569 HydrophobicContact CE1-CD2 3.91Å; F558-Y569 AromaticContact CE1-CE2 3.8Å; F558-Y569 HydrophobicContact CE1-CE2 3.8Å; R559-Y569 HydrophobicContact CB-CD2 4.36Å; R559-Y569 HydrophobicContact CB-CE2 4.47Å; R559-Y569 HydrophobicContact CG-CD1 4.18Å; R559-Y569 HydrophobicContact CG-CD2 4.33Å; R559-Y569 HydrophobicContact CG-CG 4.04Å; L567-Y569 PolarHBondContact O-N 3.4Å; L567-Y569 VanDerWaalsContact O-N 3.1Å; Y569-V572 PolarHBondContact O-N 3.39Å; Y569-R573 HydrophobicContact CE1-CG 4.08Å; Y569-R573 HydrophobicContact CE2-CG 4.18Å; Y569-R573 WeakPolarHBondContact O-CG 3.5Å; Y569-R573 PolarHBondContact O-N 3.39Å; Y569-R573 PolarHBondContact OH-NE 2.91Å; Y569-R573 PolarHBondContact OH-NH2 2.94Å |
| 570 | L | 78.7 | Confident | 88.2 | Confident | 77 Ų | 77 | 46.8 Ų | 46.8 | 40% | 0.403 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -70.5 | -40.3 | 178.7 | -64.3 | 175.3 | 0 | 0 | 0 | 111.5 | N310 N568 R573 E574 | N310-L570 HydrophobicContact CB-CD1 3.74Å; N568-L570 PolarHBondContact O-N 3.2Å; N568-L570 WeakPolarHBondContact OD1-CB 3.31Å; N568-L570 PolarHBondContact OD1-N 3.02Å; L570-R573 WeakPolarHBondContact O-CB 3.21Å; L570-R573 PolarHBondContact O-N 3.3Å; L570-E574 WeakPolarHBondContact O-CB 3.4Å; L570-E574 PolarHBondContact O-N 3.32Å |
| 571 | R | 83.8 | Confident | 87.9 | Confident | 21 Ų | 21 | 42.1 Ų | 42.1 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.8 | -35.7 | 174.4 | -63.8 | -178.5 | -173.2 | 142.3 | 11.6 | 112 | R307 L308 I508 Q509 D510 P511 N568 R573 E574 W575 | R307-R571 PolarHBondContact O-NH2 2.99Å; L308-R571 PolarHBondContact O-NH2 3.29Å; I508-R571 WeakPolarHBondContact CD1-O 3.32Å; Q509-R571 VanDerWaalsContact CD-NH2 3.3Å; Q509-R571 VanDerWaalsContact NE2-NH1 3.19Å; Q509-R571 VanDerWaalsContact NE2-NH2 3.15Å; Q509-R571 VanDerWaalsContact OE1-CZ 3.24Å; D510-R571 WeakPolarHBondContact O-CD 3.45Å; D510-R571 PolarHBondContact O-NH1 3.38Å; P511-R571 HydrophobicContact CB-CB 3.94Å; N568-R571 HydrophobicContact CB-CB 3.98Å; N568-R571 HydrophobicContact CB-CG 3.93Å; N568-R571 PolarHBondContact O-N 3.05Å; N568-R571 VanDerWaalsContact O-N 3.08Å; N568-R571 PolarHBondContact OD1-N 3.28Å; R571-R573 VanDerWaalsContact C-N 3.33Å; R571-E574 PolarHBondContact O-N 3.48Å; R571-W575 WeakPolarHBondContact O-CB 3.4Å; R571-W575 PolarHBondContact O-N 2.97Å |
| 572 | V | 89.2 | Confident | 87.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.7 | -43.5 | 171.6 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | P511 L546 F558 L567 N568 Y569 W575 Q576 | P511-V572 HydrophobicContact CB-CG2 3.86Å; L546-V572 HydrophobicContact CD1-CG1 3.87Å; L546-V572 HydrophobicContact CD1-CG2 3.93Å; F558-V572 HydrophobicContact CZ-CG1 4.36Å; L567-V572 HydrophobicContact CB-CG2 4.43Å; N568-V572 WeakPolarHBondContact O-CG2 3.42Å; N568-V572 PolarHBondContact O-N 3.32Å; Y569-V572 PolarHBondContact O-N 3.39Å; V572-W575 WeakPolarHBondContact O-CB 3.48Å; V572-W575 PolarHBondContact O-N 2.83Å; V572-Q576 VanDerWaalsContact O-CG 3.31Å; V572-Q576 WeakPolarHBondContact O-CG 3.4Å; V572-Q576 PolarHBondContact O-N 2.92Å |
| 573 | R | 84.2 | Confident | 88 | Confident | 97 Ų | 97 | 45.6 Ų | 45.6 | 37% | 0.366 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.8 | -47.3 | 174.4 | -75.7 | -69.2 | -171.1 | 169.7 | 1.1 | 112 | Y569 L570 R571 W575 Q576 D577 | Y569-R573 HydrophobicContact CE1-CG 4.08Å; Y569-R573 HydrophobicContact CE2-CG 4.18Å; Y569-R573 WeakPolarHBondContact O-CG 3.5Å; Y569-R573 PolarHBondContact O-N 3.39Å; Y569-R573 PolarHBondContact OH-NE 2.91Å; Y569-R573 PolarHBondContact OH-NH2 2.94Å; L570-R573 WeakPolarHBondContact O-CB 3.21Å; L570-R573 PolarHBondContact O-N 3.3Å; R571-R573 VanDerWaalsContact C-N 3.33Å; R573-W575 VanDerWaalsContact C-N 3.29Å; R573-W575 PolarHBondContact O-N 3.3Å; R573-Q576 PolarHBondContact O-N 3.48Å; R573-Q576 VanDerWaalsContact O-N 3.11Å; R573-D577 VanDerWaalsContact O-CG 3.3Å; R573-D577 PolarHBondContact O-N 2.92Å |
| 574 | E | 80.6 | Confident | 88.2 | Confident | 27 Ų | 27 | 41 Ų | 41 | 13% | 0.126 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.5 | -42.9 | 175.4 | 149.6 | 160.5 | -145.1 | 0 | 0 | 111.7 | R113 F141 I508 L570 R571 D577 I578 | R113-E574 IonicContact CZ-OE1 2.77Å; R113-E574 VanDerWaalsContact CZ-OE1 3.27Å; R113-E574 IonicContact CZ-OE2 3.68Å; R113-E574 IonicContact NH1-OE1 3.55Å; R113-E574 PolarHBondContact NH1-OE1 3.06Å; R113-E574 IonicContact NH1-OE2 3.87Å; R113-E574 PolarHBondContact NH1-OE2 3.27Å; R113-E574 IonicContact NH2-OE1 3.43Å; R113-E574 PolarHBondContact NH2-OE1 2.63Å; F141-E574 HydrophobicContact CD2-CB 3.47Å; F141-E574 VanDerWaalsContact CD2-CB 3.47Å; F141-E574 HydrophobicContact CD2-CG 3.63Å; F141-E574 WeakPolarHBondContact CE1-O 3.34Å; F141-E574 HydrophobicContact CE2-CB 3.62Å; F141-E574 HydrophobicContact CE2-CG 3.19Å; F141-E574 WeakPolarHBondContact CE2-OE1 3.28Å; F141-E574 HydrophobicContact CG-CB 4.05Å; F141-E574 HydrophobicContact CZ-CB 4.22Å; F141-E574 HydrophobicContact CZ-CG 3.71Å; I508-E574 HydrophobicContact CB-CG 4.02Å; I508-E574 HydrophobicContact CD1-CG 3.96Å; I508-E574 HydrophobicContact CG2-CG 3.42Å; I508-E574 VanDerWaalsContact CG2-CG 3.42Å; I508-E574 WeakPolarHBondContact CG2-OE1 3.28Å; L570-E574 WeakPolarHBondContact O-CB 3.4Å; L570-E574 PolarHBondContact O-N 3.32Å; R571-E574 PolarHBondContact O-N 3.48Å; E574-D577 PolarHBondContact O-N 3.45Å; E574-I578 WeakPolarHBondContact O-CG1 3.48Å; E574-I578 PolarHBondContact O-N 2.77Å |
| 575 | W | 91 | Very high | 88.1 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.7 | -48.9 | 173.7 | -174.3 | 10.7 | 0 | 0 | 0 | 112.3 | I501 S504 A505 I508 P511 F539 L542 W543 L546 R571 V572 R573 D577 I578 Y579 | I501-W575 HydrophobicContact CG2-CZ2 3.58Å; I501-W575 PolarHBondContact O-NE1 3.38Å; S504-W575 VanDerWaalsContact CB-CD1 3.4Å; A505-W575 HydrophobicContact CB-CD2 4.37Å; A505-W575 HydrophobicContact CB-CZ2 3.8Å; I508-W575 HydrophobicContact CD1-CB 3.69Å; I508-W575 HydrophobicContact CD1-CG 4.36Å; P511-W575 HydrophobicContact CG-CE3 3.84Å; P511-W575 HydrophobicContact CG-CZ3 3.98Å; F539-W575 HydrophobicContact CB-CH2 3.99Å; F539-W575 HydrophobicContact CB-CZ2 3.88Å; F539-W575 HydrophobicContact CD1-CH2 4.06Å; F539-W575 HydrophobicContact CD1-CZ2 4.32Å; F539-W575 WeakPolarHBondContact O-CH2 3.48Å; L542-W575 HydrophobicContact CB-CH2 4.31Å; L542-W575 HydrophobicContact CB-CZ3 4.47Å; L542-W575 HydrophobicContact CD2-CH2 4.23Å; L542-W575 HydrophobicContact CD2-CZ3 3.77Å; L542-W575 HydrophobicContact CG-CH2 4.23Å; L542-W575 HydrophobicContact CG-CZ3 3.89Å; W543-W575 HydrophobicContact CB-CH2 3.93Å; W543-W575 HydrophobicContact CB-CZ2 4.01Å; W543-W575 AromaticContact CE3-CD2 3.79Å; W543-W575 HydrophobicContact CE3-CD2 3.79Å; W543-W575 AromaticContact CE3-CE2 3.55Å; W543-W575 HydrophobicContact CE3-CE3 4.25Å; W543-W575 HydrophobicContact CE3-CG 4.22Å; W543-W575 HydrophobicContact CE3-CH2 4.37Å; W543-W575 AromaticContact CE3-CZ2 3.88Å; W543-W575 HydrophobicContact CE3-CZ2 3.88Å; W543-W575 AromaticContact CE3-NE1 3.79Å; W543-W575 AromaticContact CZ3-CD1 3.9Å; W543-W575 HydrophobicContact CZ3-CD2 4.07Å; W543-W575 AromaticContact CZ3-CG 4Å; W543-W575 HydrophobicContact CZ3-CG 4Å; W543-W575 AromaticContact CZ3-NE1 3.9Å; L546-W575 HydrophobicContact CD1-CZ3 4.24Å; R571-W575 WeakPolarHBondContact O-CB 3.4Å; R571-W575 PolarHBondContact O-N 2.97Å; V572-W575 WeakPolarHBondContact O-CB 3.48Å; V572-W575 PolarHBondContact O-N 2.83Å; R573-W575 VanDerWaalsContact C-N 3.29Å; R573-W575 PolarHBondContact O-N 3.3Å; W575-D577 VanDerWaalsContact C-N 3.27Å; W575-D577 PolarHBondContact O-N 3.48Å; W575-I578 PolarHBondContact O-N 3.5Å; W575-Y579 PolarHBondContact O-N 2.92Å |
| 576 | Q | 93.6 | Very high | 88 | Confident | 22 Ų | 22 | 38.2 Ų | 38.2 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.2 | -34.3 | -179.2 | -72.2 | -179.6 | -29.9 | 0 | 0 | 113.1 | W543 Q550 V572 R573 T580 | W543-Q576 HydrophobicContact CH2-CB 4.18Å; W543-Q576 HydrophobicContact CH2-CG 3.77Å; W543-Q576 HydrophobicContact CZ3-CB 4.28Å; W543-Q576 HydrophobicContact CZ3-CG 3.65Å; Q550-Q576 VanDerWaalsContact CD-NE2 3.26Å; V572-Q576 VanDerWaalsContact O-CG 3.31Å; V572-Q576 WeakPolarHBondContact O-CG 3.4Å; V572-Q576 PolarHBondContact O-N 2.92Å; R573-Q576 PolarHBondContact O-N 3.48Å; R573-Q576 VanDerWaalsContact O-N 3.11Å; Q576-T580 WeakPolarHBondContact O-CB 3.46Å; Q576-T580 PolarHBondContact O-N 2.91Å; Q576-T580 PolarHBondContact O-OG1 3.24Å |
| 577 | D | 82.1 | Confident | 88.1 | Confident | 51 Ų | 51 | 42.5 Ų | 42.5 | 27% | 0.273 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -76.9 | -39.7 | 179.5 | -68.6 | -18.4 | 0 | 0 | 0 | 112 | F141 R573 E574 W575 Y579 T580 Q581 | F141-D577 HydrophobicContact CB-CB 4.47Å; F141-D577 HydrophobicContact CD1-CB 3.28Å; F141-D577 HydrophobicContact CE1-CB 3.82Å; F141-D577 HydrophobicContact CG-CB 4.17Å; R573-D577 VanDerWaalsContact O-CG 3.3Å; R573-D577 PolarHBondContact O-N 2.92Å; E574-D577 PolarHBondContact O-N 3.45Å; W575-D577 VanDerWaalsContact C-N 3.27Å; W575-D577 PolarHBondContact O-N 3.48Å; D577-Y579 VanDerWaalsContact C-N 3.26Å; D577-Y579 PolarHBondContact O-N 2.9Å; D577-T580 PolarHBondContact O-N 2.9Å; D577-T580 VanDerWaalsContact O-N 3.12Å; D577-Q581 WeakPolarHBondContact O-CG 3.42Å; D577-Q581 PolarHBondContact O-N 3.45Å |
| 578 | I | 83.9 | Confident | 88 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59 | -44.4 | 170.9 | -62.7 | 175.2 | 0 | 0 | 0 | 109.7 | R140 F141 V479 S504 I508 E574 W575 T580 Q581 L582 | R140-I578 VanDerWaalsContact NH2-CD1 3.27Å; F141-I578 HydrophobicContact CE1-CB 4.43Å; F141-I578 HydrophobicContact CE1-CD1 4.32Å; F141-I578 HydrophobicContact CE1-CG1 3.38Å; F141-I578 HydrophobicContact CE2-CG1 4.48Å; F141-I578 HydrophobicContact CZ-CD1 3.68Å; F141-I578 HydrophobicContact CZ-CG1 3.23Å; V479-I578 HydrophobicContact CG1-CG2 4.24Å; S504-I578 WeakPolarHBondContact OG-CG2 3.1Å; I508-I578 HydrophobicContact CG2-CD1 3.12Å; I508-I578 HydrophobicContact CG2-CG1 4.43Å; E574-I578 WeakPolarHBondContact O-CG1 3.48Å; E574-I578 PolarHBondContact O-N 2.77Å; W575-I578 PolarHBondContact O-N 3.5Å; I578-T580 VanDerWaalsContact C-N 3.25Å; I578-T580 PolarHBondContact O-N 3.21Å; I578-Q581 PolarHBondContact O-N 3.03Å; I578-L582 HydrophobicContact CG2-CD1 3.95Å; I578-L582 HydrophobicContact CG2-CG 4.1Å; I578-L582 WeakPolarHBondContact O-CB 3.5Å; I578-L582 WeakPolarHBondContact O-CG 3.02Å; I578-L582 PolarHBondContact O-N 3.08Å |
| 579 | Y | 94.4 | Very high | 88.3 | Confident | 19 Ų | 19 | 49.9 Ų | 49.9 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.3 | -42 | 176.4 | 176.4 | -89.7 | 0 | 0 | 0 | 111.3 | M500 I501 S504 W543 W575 D577 R583 | M500-Y579 HydrophobicContact CB-CD2 3.63Å; M500-Y579 HydrophobicContact CB-CE2 3.55Å; M500-Y579 HydrophobicContact CE-CE2 3.82Å; I501-Y579 HydrophobicContact CG1-CD2 3.85Å; I501-Y579 HydrophobicContact CG1-CE2 3.62Å; S504-Y579 VanDerWaalsContact OG-CA 3.28Å; S504-Y579 WeakPolarHBondContact OG-CA 3.24Å; S504-Y579 PolarHBondContact OG-N 3.05Å; W543-Y579 VanDerWaalsContact CH2-CB 3.49Å; W543-Y579 AromaticContact CH2-CD1 3.63Å; W543-Y579 HydrophobicContact CH2-CD1 3.63Å; W543-Y579 HydrophobicContact CH2-CD2 4.09Å; W543-Y579 HydrophobicContact CH2-CE1 4.41Å; W543-Y579 AromaticContact CH2-CG 3.45Å; W543-Y579 HydrophobicContact CH2-CG 3.45Å; W543-Y579 VanDerWaalsContact CH2-CG 3.45Å; W543-Y579 AromaticContact CZ2-CD1 3.6Å; W543-Y579 HydrophobicContact CZ2-CD1 3.6Å; W543-Y579 HydrophobicContact CZ2-CD2 4.1Å; W543-Y579 AromaticContact CZ2-CE1 3.92Å; W543-Y579 HydrophobicContact CZ2-CE1 3.92Å; W543-Y579 HydrophobicContact CZ2-CE2 4.39Å; W543-Y579 AromaticContact CZ2-CG 3.7Å; W543-Y579 HydrophobicContact CZ2-CG 3.7Å; W543-Y579 HydrophobicContact CZ3-CG 4.31Å; W575-Y579 PolarHBondContact O-N 2.92Å; D577-Y579 VanDerWaalsContact C-N 3.26Å; D577-Y579 PolarHBondContact O-N 2.9Å; Y579-R583 WeakPolarHBondContact O-CB 3.06Å; Y579-R583 PolarHBondContact O-N 3.07Å |
| 580 | T | 91.6 | Very high | 88.7 | Confident | 79 Ų | 79 | 50.8 Ų | 50.8 | 49% | 0.485 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 177.8 | -58.5 | 0 | 0 | 0 | 0 | 112 | Q576 D577 I578 R583 Q584 | Q576-T580 WeakPolarHBondContact O-CB 3.46Å; Q576-T580 PolarHBondContact O-N 2.91Å; Q576-T580 PolarHBondContact O-OG1 3.24Å; D577-T580 PolarHBondContact O-N 2.9Å; D577-T580 VanDerWaalsContact O-N 3.12Å; I578-T580 VanDerWaalsContact C-N 3.25Å; I578-T580 PolarHBondContact O-N 3.21Å; T580-R583 PolarHBondContact O-N 3.07Å; T580-Q584 WeakPolarHBondContact O-CB 3.4Å; T580-Q584 PolarHBondContact O-N 3.41Å |
| 581 | Q | 85.1 | Confident | 89.4 | Confident | 70 Ų | 70 | 47.4 Ų | 47.4 | 33% | 0.327 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.2 | -47.9 | 175.3 | -71.5 | 171.4 | 13.8 | 0 | 0 | 111.5 | P478 D577 I578 R583 Q584 V585 | P478-Q581 HydrophobicContact CG-CB 4.4Å; D577-Q581 WeakPolarHBondContact O-CG 3.42Å; D577-Q581 PolarHBondContact O-N 3.45Å; I578-Q581 PolarHBondContact O-N 3.03Å; Q581-R583 VanDerWaalsContact C-N 3.32Å; Q581-R583 PolarHBondContact O-N 3.4Å; Q581-Q584 WeakPolarHBondContact O-CB 3.3Å; Q581-Q584 PolarHBondContact O-N 3.21Å; Q581-V585 WeakPolarHBondContact O-CG2 3.35Å; Q581-V585 PolarHBondContact O-N 3.23Å |
| 582 | L | 90.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.9 | -47.4 | 173.8 | -74.2 | 176.3 | 0 | 0 | 0 | 110.3 | L477 P478 V479 M500 S504 I578 Q584 V585 V586 | L477-L582 HydrophobicContact CB-CD2 4.23Å; L477-L582 HydrophobicContact CD2-CD2 3.72Å; L477-L582 HydrophobicContact CG-CD2 4.49Å; P478-L582 HydrophobicContact CG-CD2 4.44Å; V479-L582 HydrophobicContact CG1-CD1 4.39Å; V479-L582 HydrophobicContact CG1-CD2 4.05Å; V479-L582 HydrophobicContact CG2-CD2 4.14Å; M500-L582 HydrophobicContact CB-CD1 4.5Å; M500-L582 HydrophobicContact CG-CB 4.18Å; M500-L582 HydrophobicContact SD-CB 4.06Å; S504-L582 VanDerWaalsContact OG-CD1 3.3Å; S504-L582 WeakPolarHBondContact OG-CD1 3.16Å; I578-L582 HydrophobicContact CG2-CD1 3.95Å; I578-L582 HydrophobicContact CG2-CG 4.1Å; I578-L582 WeakPolarHBondContact O-CB 3.5Å; I578-L582 WeakPolarHBondContact O-CG 3.02Å; I578-L582 PolarHBondContact O-N 3.08Å; L582-Q584 VanDerWaalsContact C-N 3.27Å; L582-Q584 PolarHBondContact O-N 3.11Å; L582-V585 PolarHBondContact O-N 3.12Å; L582-V586 VanDerWaalsContact O-CB 3.26Å; L582-V586 WeakPolarHBondContact O-CB 3.2Å; L582-V586 WeakPolarHBondContact O-CG2 3.38Å; L582-V586 PolarHBondContact O-N 3.46Å |
| 583 | R | 94.6 | Very high | 90.2 | Very high | 106 Ų | 106 | 52.4 Ų | 52.4 | 40% | 0.4 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.2 | -37.1 | 178.6 | -174.4 | 177.8 | -174.1 | -168.3 | 2.1 | 112.2 | M500 Y579 T580 Q581 K587 | M500-R583 HydrophobicContact CE-CB 4.22Å; M500-R583 HydrophobicContact CE-CG 4.36Å; M500-R583 HydrophobicContact SD-CB 4.02Å; Y579-R583 WeakPolarHBondContact O-CB 3.06Å; Y579-R583 PolarHBondContact O-N 3.07Å; T580-R583 PolarHBondContact O-N 3.07Å; Q581-R583 VanDerWaalsContact C-N 3.32Å; Q581-R583 PolarHBondContact O-N 3.4Å; R583-K587 WeakPolarHBondContact O-CB 3.29Å; R583-K587 VanDerWaalsContact O-CG 3.27Å; R583-K587 WeakPolarHBondContact O-CG 3.31Å; R583-K587 PolarHBondContact O-N 3.34Å |
| 584 | Q | 90.8 | Very high | 90.7 | Very high | 113 Ų | 113 | 49.1 Ų | 49.1 | 53% | 0.528 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.8 | -52.1 | 175.4 | -179.6 | 178.3 | -11.9 | 0 | 0 | 110.7 | T580 Q581 L582 V586 K587 E588 | T580-Q584 WeakPolarHBondContact O-CB 3.4Å; T580-Q584 PolarHBondContact O-N 3.41Å; Q581-Q584 WeakPolarHBondContact O-CB 3.3Å; Q581-Q584 PolarHBondContact O-N 3.21Å; L582-Q584 VanDerWaalsContact C-N 3.27Å; L582-Q584 PolarHBondContact O-N 3.11Å; Q584-V586 PolarHBondContact O-N 2.81Å; Q584-K587 WeakPolarHBondContact O-CB 3.37Å; Q584-K587 PolarHBondContact O-N 3.27Å; Q584-E588 WeakPolarHBondContact CG-OE1 3.39Å; Q584-E588 PolarHBondContact NE2-OE1 3.13Å; Q584-E588 WeakPolarHBondContact O-CG 3.34Å; Q584-E588 PolarHBondContact O-N 2.94Å |
| 585 | V | 88.9 | Confident | 91.2 | Very high | 23 Ų | 23 | 53.1 Ų | 53.1 | 14% | 0.139 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 179.1 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | Q476 L477 Q581 L582 K587 E588 L589 | Q476-V585 HydrophobicContact CB-CG1 4.21Å; L477-V585 HydrophobicContact CG-CG1 4.35Å; Q581-V585 WeakPolarHBondContact O-CG2 3.35Å; Q581-V585 PolarHBondContact O-N 3.23Å; L582-V585 PolarHBondContact O-N 3.12Å; V585-K587 VanDerWaalsContact C-N 3.3Å; V585-K587 PolarHBondContact O-N 3.11Å; V585-E588 PolarHBondContact O-N 3.22Å; V585-E588 VanDerWaalsContact O-N 3.16Å; V585-L589 HydrophobicContact CG1-CD1 4.19Å; V585-L589 HydrophobicContact CG1-CG 4.5Å; V585-L589 WeakPolarHBondContact O-CB 3.26Å; V585-L589 WeakPolarHBondContact O-CG 3.44Å; V585-L589 PolarHBondContact O-N 2.94Å |
| 586 | V | 93 | Very high | 91.4 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59 | -40.9 | 176.4 | 165 | 0 | 0 | 0 | 0 | 111.2 | V487 V496 M500 L582 Q584 L589 G590 I591 V593 | V487-V586 HydrophobicContact CG1-CG2 3.75Å; V496-V586 HydrophobicContact CG1-CG1 3.83Å; M500-V586 HydrophobicContact SD-CB 4.24Å; M500-V586 HydrophobicContact SD-CG1 4.38Å; M500-V586 HydrophobicContact SD-CG2 3.92Å; L582-V586 VanDerWaalsContact O-CB 3.26Å; L582-V586 WeakPolarHBondContact O-CB 3.2Å; L582-V586 WeakPolarHBondContact O-CG2 3.38Å; L582-V586 PolarHBondContact O-N 3.46Å; Q584-V586 PolarHBondContact O-N 2.81Å; V586-L589 PolarHBondContact O-N 3.47Å; V586-G590 PolarHBondContact O-N 3.22Å; V586-I591 HydrophobicContact CG1-CB 3.65Å; V586-I591 HydrophobicContact CG1-CG2 3.77Å; V586-I591 WeakPolarHBondContact O-CB 3.23Å; V586-I591 PolarHBondContact O-N 2.79Å; V586-V593 HydrophobicContact CG1-CG2 4.08Å |
| 587 | K | 92.6 | Very high | 91.4 | Very high | 128 Ų | 128 | 64 Ų | 64 | 56% | 0.557 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.2 | -41.9 | 174.1 | -79.5 | 179.8 | 173.9 | -169.2 | 0 | 112.7 | R583 Q584 V585 L589 G590 | R583-K587 WeakPolarHBondContact O-CB 3.29Å; R583-K587 VanDerWaalsContact O-CG 3.27Å; R583-K587 WeakPolarHBondContact O-CG 3.31Å; R583-K587 PolarHBondContact O-N 3.34Å; Q584-K587 WeakPolarHBondContact O-CB 3.37Å; Q584-K587 PolarHBondContact O-N 3.27Å; V585-K587 VanDerWaalsContact C-N 3.3Å; V585-K587 PolarHBondContact O-N 3.11Å; K587-L589 PolarHBondContact O-N 3.33Å; K587-G590 PolarHBondContact O-N 2.91Å |
| 588 | E | 90.6 | Very high | 92.1 | Very high | 134 Ų | 134 | 62.6 Ų | 62.6 | 63% | 0.626 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.8 | -33.5 | 176.6 | -72.3 | 171.5 | -168 | 0 | 0 | 111.6 | Q584 V585 G590 | Q584-E588 WeakPolarHBondContact CG-OE1 3.39Å; Q584-E588 PolarHBondContact NE2-OE1 3.13Å; Q584-E588 WeakPolarHBondContact O-CG 3.34Å; Q584-E588 PolarHBondContact O-N 2.94Å; V585-E588 PolarHBondContact O-N 3.22Å; V585-E588 VanDerWaalsContact O-N 3.16Å; E588-G590 PolarHBondContact O-N 2.79Å |
| 589 | L | 90.5 | Very high | 92.6 | Very high | 40 Ų | 40 | 69.7 Ų | 69.7 | 21% | 0.209 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -3.9 | 171.7 | -71.7 | 176.7 | 0 | 0 | 0 | 114.1 | Q473 Q476 L488 V585 V586 K587 I591 | Q473-L589 HydrophobicContact CB-CD1 4.34Å; Q473-L589 HydrophobicContact CG-CD1 4.46Å; Q473-L589 HydrophobicContact CG-CD2 4.05Å; Q476-L589 VanDerWaalsContact OE1-CD2 3.24Å; L488-L589 HydrophobicContact CD2-CD1 4.22Å; V585-L589 HydrophobicContact CG1-CD1 4.19Å; V585-L589 HydrophobicContact CG1-CG 4.5Å; V585-L589 WeakPolarHBondContact O-CB 3.26Å; V585-L589 WeakPolarHBondContact O-CG 3.44Å; V585-L589 PolarHBondContact O-N 2.94Å; V586-L589 PolarHBondContact O-N 3.47Å; K587-L589 PolarHBondContact O-N 3.33Å; L589-I591 VanDerWaalsContact C-N 3.31Å; L589-I591 HydrophobicContact CB-CD1 3.99Å; L589-I591 HydrophobicContact CB-CG1 4.04Å; L589-I591 HydrophobicContact CD1-CD1 4.19Å; L589-I591 PolarHBondContact O-N 3.01Å |
| 590 | G | 92.9 | Very high | 92.8 | Very high | 59 Ų | 59 | 71.1 Ų | 71.1 | 61% | 0.608 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 19.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | V586 K587 E588 | V586-G590 PolarHBondContact O-N 3.22Å; K587-G590 PolarHBondContact O-N 2.91Å; E588-G590 PolarHBondContact O-N 2.79Å |
| 591 | I | 93.3 | Very high | 93 | Very high | 6 Ų | 6 | 72.6 Ų | 72.6 | 3% | 0.031 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 121.7 | -178.5 | -61.3 | 172.8 | 0 | 0 | 0 | 109.3 | L488 Q491 V496 V586 L589 | L488-I591 HydrophobicContact CD2-CD1 3.63Å; Q491-I591 HydrophobicContact CB-CG2 3.81Å; Q491-I591 HydrophobicContact CG-CG2 3.83Å; V496-I591 HydrophobicContact CG1-CG2 4.22Å; V496-I591 HydrophobicContact CG2-CG2 4.02Å; V586-I591 HydrophobicContact CG1-CB 3.65Å; V586-I591 HydrophobicContact CG1-CG2 3.77Å; V586-I591 WeakPolarHBondContact O-CB 3.23Å; V586-I591 PolarHBondContact O-N 2.79Å; L589-I591 VanDerWaalsContact C-N 3.31Å; L589-I591 HydrophobicContact CB-CD1 3.99Å; L589-I591 HydrophobicContact CB-CG1 4.04Å; L589-I591 HydrophobicContact CD1-CD1 4.19Å; L589-I591 PolarHBondContact O-N 3.01Å |
| 592 | P | 93.9 | Very high | 93.6 | Very high | 88 Ų | 88 | 71.2 Ų | 71.2 | 57% | 0.571 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 137.5 | 178.1 | 28.8 | -33.7 | 0 | 0 | 0 | 110.8 | V496 | V496-P592 WeakPolarHBondContact CG2-O 3.06Š|
| 593 | V | 95.4 | Very high | 94 | Very high | 37 Ų | 37 | 71.4 Ų | 71.4 | 22% | 0.224 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -98.2 | 125.2 | 174 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | V496 R497 M500 V586 | V496-V593 HydrophobicContact CG1-CG2 4.24Å; R497-V593 HydrophobicContact CB-CG1 3.89Å; M500-V593 HydrophobicContact CE-CG1 4Å; M500-V593 HydrophobicContact CE-CG2 3.96Å; V586-V593 HydrophobicContact CG1-CG2 4.08Å |
| 594 | N | 96 | Very high | 94.2 | Very high | 28 Ų | 28 | 66.4 Ų | 66.4 | 15% | 0.15 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 140.3 | 178.3 | 57.6 | -63.9 | 0 | 0 | 0 | 111.8 | G494 V496 R497 E498 E596 | G494-N594 WeakPolarHBondContact O-CB 3.47Å; G494-N594 PolarHBondContact O-ND2 2.93Å; G494-N594 PolarHBondContact O-OD1 3.34Å; V496-N594 PolarHBondContact N-OD1 2.95Å; R497-N594 WeakPolarHBondContact CB-OD1 3.47Å; R497-N594 PolarHBondContact N-OD1 3.37Å; E498-N594 PolarHBondContact OE2-ND2 3.27Å; N594-E596 PolarHBondContact ND2-O 2.99Å |
| 595 | S | 90.9 | Very high | 94.5 | Very high | 111 Ų | 111 | 61.5 Ų | 61.5 | 78% | 0.776 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -93 | -38.5 | 174.6 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 596 | E | 94.4 | Very high | 94.9 | Very high | 151 Ų | 151 | 60.4 Ų | 60.4 | 71% | 0.706 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -79.7 | 140.4 | 175.2 | -63.3 | -54 | 134.8 | 0 | 0 | 110.5 | N594 A598 | N594-E596 PolarHBondContact ND2-O 2.99Å; E596-A598 PolarHBondContact O-N 3.38Å |
| 597 | P | 94.4 | Very high | 95.1 | Very high | 100 Ų | 100 | 60.4 Ų | 60.4 | 65% | 0.649 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 129.8 | 174.6 | -22.9 | 33.6 | 0 | 0 | 0 | 111.4 | ||
| 598 | A | 95.3 | Very high | 95.3 | Very high | 23 Ų | 23 | 54.3 Ų | 54.3 | 19% | 0.19 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 151.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | C495 E596 I603 | C495-A598 HydrophobicContact CB-CB 3.38Å; E596-A598 PolarHBondContact O-N 3.38Å; A598-I603 HydrophobicContact CB-CD1 4.17Å; A598-I603 HydrophobicContact CB-CG1 3.84Å |
| 599 | E | 96.2 | Very high | 95.6 | Very high | 149 Ų | 149 | 48.2 Ų | 48.2 | 70% | 0.696 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 160.3 | 175.6 | -75.8 | -176.1 | -157.7 | 0 | 0 | 112.3 | R601 E602 I603 | E599-R601 VanDerWaalsContact C-N 3.31Å; E599-R601 PolarHBondContact O-N 3.43Å; E599-E602 WeakPolarHBondContact CB-OE2 3.48Å; E599-E602 PolarHBondContact O-N 3.48Å; E599-I603 WeakPolarHBondContact O-CG1 3.36Å; E599-I603 PolarHBondContact O-N 2.83Å |
| 600 | Y | 97.5 | Very high | 95.7 | Very high | 48 Ų | 48 | 46.3 Ų | 46.3 | 19% | 0.188 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -52.6 | -50.1 | -176.4 | -178 | -80.9 | 0 | 0 | 0 | 111.7 | E533 L537 E602 I603 H604 R667 W672 | E533-Y600 HydrophobicContact CB-CE2 3.78Å; E533-Y600 PolarHBondContact O-OH 3.09Å; L537-Y600 HydrophobicContact CD1-CD2 3.47Å; L537-Y600 VanDerWaalsContact CD1-CD2 3.47Å; L537-Y600 HydrophobicContact CD1-CE2 3.86Å; Y600-E602 PolarHBondContact O-N 2.59Å; Y600-I603 PolarHBondContact O-N 3.01Å; Y600-H604 AromaticContact CD1-ND1 3.7Å; Y600-H604 AromaticContact CD2-CE1 3.68Å; Y600-H604 HydrophobicContact CE1-CB 4.45Å; Y600-H604 AromaticContact CE1-CE1 3.83Å; Y600-H604 AromaticContact CE1-CG 3.82Å; Y600-H604 AromaticContact CE1-ND1 3.65Å; Y600-H604 AromaticContact CE2-CE1 3.41Å; Y600-H604 VanDerWaalsContact CE2-CE1 3.41Å; Y600-H604 WeakPolarHBondContact CE2-CE1 3.04Å; Y600-H604 AromaticContact CE2-NE2 3.81Å; Y600-H604 AromaticContact CG-CE1 3.99Å; Y600-H604 AromaticContact CG-ND1 3.88Å; Y600-H604 AromaticContact CZ-CD2 3.92Å; Y600-H604 AromaticContact CZ-CE1 3.49Å; Y600-H604 VanDerWaalsContact CZ-CE1 3.49Å; Y600-H604 AromaticContact CZ-ND1 3.82Å; Y600-H604 AromaticContact CZ-NE2 3.59Å; Y600-H604 PolarHBondContact O-N 3.06Å; Y600-H604 VanDerWaalsContact O-N 3.12Å; Y600-H604 PolarHBondContact O-ND1 3.19Å; Y600-R667 PolarHBondContact OH-N 3.06Å; Y600-R667 PolarHBondContact OH-O 2.88Å; Y600-W672 AromaticContact CD1-CH2 3.9Å; Y600-W672 HydrophobicContact CD1-CH2 3.9Å; Y600-W672 HydrophobicContact CD1-CZ3 4.33Å; Y600-W672 AromaticContact CE1-CH2 3.79Å; Y600-W672 HydrophobicContact CE1-CH2 3.79Å; Y600-W672 AromaticContact CE1-CZ3 3.99Å; Y600-W672 HydrophobicContact CE1-CZ3 3.99Å |
| 601 | R | 96.9 | Very high | 95.8 | Very high | 111 Ų | 111 | 43.7 Ų | 43.7 | 42% | 0.419 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.3 | -46 | -172.9 | 173.8 | 177.4 | 179.6 | -80.4 | -1 | 111.4 | E599 I603 H604 I605 W672 | E599-R601 VanDerWaalsContact C-N 3.31Å; E599-R601 PolarHBondContact O-N 3.43Å; R601-I603 PolarHBondContact O-N 3.25Å; R601-H604 PolarHBondContact O-N 2.97Å; R601-I605 HydrophobicContact CG-CD1 3.65Å; R601-I605 HydrophobicContact CG-CG1 4.34Å; R601-I605 VanDerWaalsContact O-CG1 3.27Å; R601-I605 WeakPolarHBondContact O-CG1 3.33Å; R601-I605 PolarHBondContact O-N 3.46Å; R601-W672 HydrophobicContact CB-CH2 4.4Å; R601-W672 HydrophobicContact CB-CZ2 4.18Å; R601-W672 HydrophobicContact CG-CD2 4.35Å; R601-W672 HydrophobicContact CG-CZ2 3.96Å |
| 602 | E | 97.3 | Very high | 95.8 | Very high | 40 Ų | 40 | 43.8 Ų | 43.8 | 19% | 0.187 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.2 | -41.2 | -175.4 | -75.4 | 58.1 | -132 | 0 | 0 | 111.1 | H493 C495 E599 Y600 A606 | H493-E602 HydrophobicContact CB-CB 4.01Å; H493-E602 HydrophobicContact CB-CG 4.39Å; C495-E602 PolarHBondContact SG-O 3.11Å; E599-E602 WeakPolarHBondContact CB-OE2 3.48Å; E599-E602 PolarHBondContact O-N 3.48Å; Y600-E602 PolarHBondContact O-N 2.59Å; E602-A606 PolarHBondContact O-N 3.28Å |
| 603 | I | 98.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.3 | -49.8 | 173.6 | -62.1 | 165.5 | 0 | 0 | 0 | 109.7 | C495 E498 I502 L537 A598 E599 Y600 R601 A606 L607 | C495-I603 HydrophobicContact CB-CG1 3.87Å; E498-I603 HydrophobicContact CB-CD1 3.94Å; E498-I603 HydrophobicContact CB-CG1 3.98Å; E498-I603 HydrophobicContact CG-CD1 3.81Å; E498-I603 HydrophobicContact CG-CG1 4.28Å; I502-I603 HydrophobicContact CD1-CG2 3.75Å; L537-I603 HydrophobicContact CD2-CD1 3.75Å; L537-I603 HydrophobicContact CD2-CG2 4.45Å; A598-I603 HydrophobicContact CB-CD1 4.17Å; A598-I603 HydrophobicContact CB-CG1 3.84Å; E599-I603 WeakPolarHBondContact O-CG1 3.36Å; E599-I603 PolarHBondContact O-N 2.83Å; Y600-I603 PolarHBondContact O-N 3.01Å; R601-I603 PolarHBondContact O-N 3.25Å; I603-A606 WeakPolarHBondContact O-CB 3.25Å; I603-A606 PolarHBondContact O-N 2.72Å; I603-L607 HydrophobicContact CG2-CD1 4.07Å; I603-L607 HydrophobicContact CG2-CG 4.43Å; I603-L607 WeakPolarHBondContact O-CG 3.44Å; I603-L607 PolarHBondContact O-N 2.76Å |
| 604 | H | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -73.6 | -31.1 | -172.8 | -68.7 | 73.2 | 0 | 0 | 0 | 112.9 | S534 Y600 R601 A606 L607 L608 M650 A666 W672 | S534-H604 WeakPolarHBondContact CB-NE2 3.32Å; S534-H604 PolarHBondContact OG-CE1 3.46Å; S534-H604 PolarHBondContact OG-NE2 2.98Å; Y600-H604 AromaticContact CD1-ND1 3.7Å; Y600-H604 AromaticContact CD2-CE1 3.68Å; Y600-H604 HydrophobicContact CE1-CB 4.45Å; Y600-H604 AromaticContact CE1-CE1 3.83Å; Y600-H604 AromaticContact CE1-CG 3.82Å; Y600-H604 AromaticContact CE1-ND1 3.65Å; Y600-H604 AromaticContact CE2-CE1 3.41Å; Y600-H604 VanDerWaalsContact CE2-CE1 3.41Å; Y600-H604 WeakPolarHBondContact CE2-CE1 3.04Å; Y600-H604 AromaticContact CE2-NE2 3.81Å; Y600-H604 AromaticContact CG-CE1 3.99Å; Y600-H604 AromaticContact CG-ND1 3.88Å; Y600-H604 AromaticContact CZ-CD2 3.92Å; Y600-H604 AromaticContact CZ-CE1 3.49Å; Y600-H604 VanDerWaalsContact CZ-CE1 3.49Å; Y600-H604 AromaticContact CZ-ND1 3.82Å; Y600-H604 AromaticContact CZ-NE2 3.59Å; Y600-H604 PolarHBondContact O-N 3.06Å; Y600-H604 VanDerWaalsContact O-N 3.12Å; Y600-H604 PolarHBondContact O-ND1 3.19Å; R601-H604 PolarHBondContact O-N 2.97Å; H604-A606 VanDerWaalsContact C-N 3.35Å; H604-L607 PolarHBondContact O-N 3.14Å; H604-L608 WeakPolarHBondContact O-CB 3.49Å; H604-L608 VanDerWaalsContact O-CG 3.31Å; H604-L608 WeakPolarHBondContact O-CG 3.21Å; H604-L608 PolarHBondContact O-N 2.67Å; H604-M650 HydrophobicContact CB-CE 4.15Å; H604-M650 WeakPolarHBondContact CD2-CE 3.31Å; H604-A666 WeakPolarHBondContact CD2-CB 3.31Å; H604-A666 VanDerWaalsContact NE2-CB 3.3Å; H604-A666 WeakPolarHBondContact NE2-CB 3.45Å; H604-W672 HydrophobicContact CB-CE3 4.33Å; H604-W672 HydrophobicContact CB-CZ3 3.92Å |
| 605 | I | 97.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 38 Ų | 38 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.6 | -43.6 | 170 | -68.1 | 168 | 0 | 0 | 0 | 110.8 | H493 R601 L608 W672 V676 | H493-I605 VanDerWaalsContact CE1-CG2 3.44Å; H493-I605 WeakPolarHBondContact CE1-CG2 3.13Å; H493-I605 VanDerWaalsContact NE2-CG2 3.35Å; H493-I605 WeakPolarHBondContact NE2-CG2 3.5Å; R601-I605 HydrophobicContact CG-CD1 3.65Å; R601-I605 HydrophobicContact CG-CG1 4.34Å; R601-I605 VanDerWaalsContact O-CG1 3.27Å; R601-I605 WeakPolarHBondContact O-CG1 3.33Å; R601-I605 PolarHBondContact O-N 3.46Å; I605-L608 WeakPolarHBondContact O-CB 3.17Å; I605-L608 PolarHBondContact O-N 2.93Å; I605-W672 HydrophobicContact CD1-CG 4.4Å; I605-W672 HydrophobicContact CG1-CB 3.96Å; I605-W672 HydrophobicContact CG1-CD2 4.33Å; I605-W672 HydrophobicContact CG1-CG 4.08Å; I605-V676 HydrophobicContact CG2-CG1 3.69Å |
| 606 | A | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.1 | -44.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E489 A490 C495 E602 I603 H604 L608 T609 | E489-A606 HydrophobicContact CB-CB 4.35Å; A490-A606 HydrophobicContact CB-CB 3.94Å; C495-A606 VanDerWaalsContact SG-CB 3.59Å; E602-A606 PolarHBondContact O-N 3.28Å; I603-A606 WeakPolarHBondContact O-CB 3.25Å; I603-A606 PolarHBondContact O-N 2.72Å; H604-A606 VanDerWaalsContact C-N 3.35Å; A606-L608 VanDerWaalsContact C-N 3.32Å; A606-L608 PolarHBondContact O-N 2.92Å; A606-T609 PolarHBondContact O-N 2.89Å; A606-T609 PolarHBondContact O-OG1 3.48Å |
| 607 | L | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.2 | -37.5 | 177.3 | -64.1 | 177.7 | 0 | 0 | 0 | 112.7 | M486 I502 F536 I603 H604 T609 G610 L611 M650 | M486-L607 HydrophobicContact CB-CD2 4.16Å; M486-L607 HydrophobicContact CG-CD2 4.24Å; M486-L607 HydrophobicContact SD-CB 4.39Å; M486-L607 HydrophobicContact SD-CD2 3.56Å; M486-L607 VanDerWaalsContact SD-CD2 3.56Å; I502-L607 HydrophobicContact CD1-CD1 4.12Å; I502-L607 HydrophobicContact CG2-CD1 4.43Å; I502-L607 HydrophobicContact CG2-CD2 3.94Å; F536-L607 HydrophobicContact CB-CD1 4.03Å; F536-L607 HydrophobicContact CD1-CD1 4.05Å; F536-L607 HydrophobicContact CD2-CD1 4.18Å; F536-L607 HydrophobicContact CG-CD1 3.84Å; I603-L607 HydrophobicContact CG2-CD1 4.07Å; I603-L607 HydrophobicContact CG2-CG 4.43Å; I603-L607 WeakPolarHBondContact O-CG 3.44Å; I603-L607 PolarHBondContact O-N 2.76Å; H604-L607 PolarHBondContact O-N 3.14Å; L607-T609 PolarHBondContact O-N 2.9Å; L607-G610 PolarHBondContact O-N 3.21Å; L607-G610 VanDerWaalsContact O-N 3.15Å; L607-L611 PolarHBondContact O-N 2.89Å; L607-M650 HydrophobicContact CB-CE 3.47Å; L607-M650 VanDerWaalsContact CB-CE 3.47Å; L607-M650 HydrophobicContact CB-SD 4.15Å; L607-M650 HydrophobicContact CD1-CE 3.45Å; L607-M650 VanDerWaalsContact CD1-CE 3.45Å; L607-M650 HydrophobicContact CG-CE 4.11Å |
| 608 | L | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -54.3 | -36.6 | 178.3 | -84.9 | 171.1 | 0 | 0 | 0 | 112.1 | H604 I605 A606 G610 L611 L612 I615 M650 I668 W672 V673 V676 | H604-L608 WeakPolarHBondContact O-CB 3.49Å; H604-L608 VanDerWaalsContact O-CG 3.31Å; H604-L608 WeakPolarHBondContact O-CG 3.21Å; H604-L608 PolarHBondContact O-N 2.67Å; I605-L608 WeakPolarHBondContact O-CB 3.17Å; I605-L608 PolarHBondContact O-N 2.93Å; A606-L608 VanDerWaalsContact C-N 3.32Å; A606-L608 PolarHBondContact O-N 2.92Å; L608-G610 PolarHBondContact O-N 3.26Å; L608-L611 CarbonylContact O-C 3.57Å; L608-L611 PolarHBondContact O-N 3.46Å; L608-L612 VanDerWaalsContact O-CG 3.29Å; L608-L612 WeakPolarHBondContact O-CG 3.42Å; L608-L612 PolarHBondContact O-N 3.27Å; L608-I615 HydrophobicContact CD2-CG2 3.61Å; L608-M650 HydrophobicContact CD2-CB 4.17Å; L608-M650 HydrophobicContact CD2-SD 3.96Å; L608-M650 HydrophobicContact CG-SD 3.93Å; L608-I668 HydrophobicContact CD1-CG2 4.47Å; L608-I668 HydrophobicContact CD2-CD1 3.84Å; L608-I668 HydrophobicContact CD2-CG2 4.28Å; L608-I668 HydrophobicContact CG-CG2 4.45Å; L608-W672 HydrophobicContact CD1-CB 3.85Å; L608-V673 HydrophobicContact CD1-CG2 4.19Å; L608-V673 HydrophobicContact CD2-CG2 4.37Å; L608-V676 HydrophobicContact CB-CG2 4.26Å |
| 609 | T | 95.2 | Very high | 95.6 | Very high | 7 Ų | 7 | 26.3 Ų | 26.3 | 4% | 0.043 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.8 | -29.6 | -178.8 | 61.6 | 0 | 0 | 0 | 0 | 114.7 | R485 E489 A606 L607 V676 | R485-T609 PolarHBondContact O-OG1 2.66Å; E489-T609 HydrophobicContact CB-CG2 3.82Å; E489-T609 HydrophobicContact CG-CG2 3.48Å; E489-T609 VanDerWaalsContact CG-CG2 3.48Å; A606-T609 PolarHBondContact O-N 2.89Å; A606-T609 PolarHBondContact O-OG1 3.48Å; L607-T609 PolarHBondContact O-N 2.9Å; T609-V676 HydrophobicContact CG2-CB 4.01Å; T609-V676 HydrophobicContact CG2-CG1 3.98Å |
| 610 | G | 93.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -91.6 | -14.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R482 L607 L608 | R482-G610 PolarHBondContact NH1-O 3.46Å; R482-G610 WeakPolarHBondContact O-CA 3.31Å; L607-G610 PolarHBondContact O-N 3.21Å; L607-G610 VanDerWaalsContact O-N 3.15Å; L608-G610 PolarHBondContact O-N 3.26Å |
| 611 | L | 94.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -119.2 | 14.6 | -170.2 | -59.7 | 179.6 | 0 | 0 | 0 | 114.3 | M486 F536 L607 L608 S613 H614 I615 M650 | M486-L611 HydrophobicContact CE-CD1 4.07Å; M486-L611 HydrophobicContact CE-CD2 3.54Å; M486-L611 HydrophobicContact CE-CG 3.46Å; M486-L611 VanDerWaalsContact CE-CG 3.46Å; M486-L611 HydrophobicContact SD-CG 4.49Å; F536-L611 HydrophobicContact CE1-CD1 4.16Å; F536-L611 HydrophobicContact CZ-CD1 3.73Å; L607-L611 PolarHBondContact O-N 2.89Å; L608-L611 CarbonylContact O-C 3.57Å; L608-L611 PolarHBondContact O-N 3.46Å; L611-S613 PolarHBondContact O-N 3.17Å; L611-S613 VanDerWaalsContact O-N 3.1Å; L611-H614 HydrophobicContact CB-CB 4.39Å; L611-H614 CarbonylContact O-C 3.35Å; L611-H614 WeakPolarHBondContact O-CA 3.37Å; L611-H614 PolarHBondContact O-N 3.05Å; L611-I615 PolarHBondContact O-N 3.34Å; L611-M650 HydrophobicContact CD1-SD 4.45Å |
| 612 | L | 92.7 | Very high | 93.4 | Very high | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -54.2 | -33.7 | -179.8 | -72.7 | 180 | 0 | 0 | 0 | 113.5 | L608 H614 I615 V673 V676 A677 L680 Y706 | L608-L612 VanDerWaalsContact O-CG 3.29Å; L608-L612 WeakPolarHBondContact O-CG 3.42Å; L608-L612 PolarHBondContact O-N 3.27Å; L612-H614 VanDerWaalsContact C-N 3.28Å; L612-I615 WeakPolarHBondContact O-CG1 3.45Å; L612-V673 HydrophobicContact CD2-CG1 3.93Å; L612-V676 HydrophobicContact CD2-CG2 3.95Å; L612-A677 HydrophobicContact CD1-CB 3.8Å; L612-A677 HydrophobicContact CD2-CB 4Å; L612-L680 HydrophobicContact CD1-CD1 3.67Å; L612-Y706 HydrophobicContact CB-CE2 4.17Å |
| 613 | S | 90 | Very high | 92.7 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 6% | 0.056 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -79.8 | -7.3 | 176 | 59.8 | 0 | 0 | 0 | 0 | 114.1 | R482 L611 A628 | R482-S613 PolarHBondContact NH1-OG 3.36Å; R482-S613 PolarHBondContact NH2-OG 3.44Å; L611-S613 PolarHBondContact O-N 3.17Å; L611-S613 VanDerWaalsContact O-N 3.1Å; S613-A628 VanDerWaalsContact O-CB 3.3Å; S613-A628 WeakPolarHBondContact O-CB 3.35Å |
| 614 | H | 93.7 | Very high | 92.4 | Very high | 23 Ų | 23 | 36.2 Ų | 36.2 | 11% | 0.106 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -114.5 | 24.2 | -178 | -59.3 | 174.4 | 0 | 0 | 0 | 112.1 | L611 L612 V651 A652 | L611-H614 HydrophobicContact CB-CB 4.39Å; L611-H614 CarbonylContact O-C 3.35Å; L611-H614 WeakPolarHBondContact O-CA 3.37Å; L611-H614 PolarHBondContact O-N 3.05Å; L612-H614 VanDerWaalsContact C-N 3.28Å; H614-V651 HydrophobicContact CB-CG2 3.99Å; H614-V651 WeakPolarHBondContact CB-O 3.29Å; H614-V651 PolarHBondContact O-N 3.4Å; H614-A652 PolarHBondContact ND1-O 3.01Å |
| 615 | I | 96.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 154.3 | 169.7 | 70 | -179.7 | 0 | 0 | 0 | 110.4 | L608 L611 L612 G627 W648 V649 M650 I668 V673 V705 L708 | L608-I615 HydrophobicContact CD2-CG2 3.61Å; L611-I615 PolarHBondContact O-N 3.34Å; L612-I615 WeakPolarHBondContact O-CG1 3.45Å; I615-G627 VanDerWaalsContact O-CA 3.28Å; I615-G627 WeakPolarHBondContact O-CA 3.28Å; I615-W648 HydrophobicContact CD1-CZ3 4.39Å; I615-V649 CarbonylContact C-O 3.53Å; I615-V649 VanDerWaalsContact CA-O 3.27Å; I615-V649 WeakPolarHBondContact CA-O 3.17Å; I615-M650 HydrophobicContact CG2-CB 4.23Å; I615-I668 HydrophobicContact CB-CD1 4.1Å; I615-I668 HydrophobicContact CG2-CD1 3.82Å; I615-V673 HydrophobicContact CD1-CG1 4.03Å; I615-V673 HydrophobicContact CD1-CG2 4.42Å; I615-V705 HydrophobicContact CD1-CG1 3.75Å; I615-L708 HydrophobicContact CD1-CD1 3.99Å; I615-L708 HydrophobicContact CG1-CD1 3.58Å |
| 616 | G | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 144 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T626 W648 V649 | G616-T626 CarbonylContact C-O 3.54Å; G616-T626 VanDerWaalsContact CA-O 3.28Å; G616-T626 WeakPolarHBondContact CA-O 3.45Å; G616-W648 WeakPolarHBondContact O-CA 3.38Å; G616-V649 PolarHBondContact N-O 3.26Å; G616-V649 PolarHBondContact O-N 2.88Å |
| 617 | M | 95.6 | Very high | 91.9 | Very high | 54 Ų | 54 | 36.3 Ų | 36.3 | 27% | 0.266 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124.7 | 169.9 | -176.4 | -176.8 | 74 | 0 | 0 | 108.8 | Y625 T626 W648 L708 P709 | M617-Y625 CarbonylContact O-C 3.56Å; M617-Y625 WeakPolarHBondContact O-CA 3.32Å; M617-T626 PolarHBondContact N-O 3.4Å; M617-T626 PolarHBondContact O-N 3.06Å; M617-W648 HydrophobicContact CB-CD2 4.11Å; M617-W648 HydrophobicContact CB-CE3 4.14Å; M617-W648 HydrophobicContact CB-CH2 3.92Å; M617-W648 HydrophobicContact CB-CZ2 3.85Å; M617-W648 HydrophobicContact CB-CZ3 4.05Å; M617-W648 HydrophobicContact CG-CD2 4.3Å; M617-W648 HydrophobicContact CG-CH2 4.33Å; M617-W648 HydrophobicContact CG-CZ2 3.76Å; M617-W648 HydrophobicContact SD-CH2 4.33Å; M617-W648 HydrophobicContact SD-CZ2 3.68Å; M617-L708 HydrophobicContact CB-CD2 4.48Å; M617-P709 HydrophobicContact CE-CG 4.4Å; M617-P709 HydrophobicContact SD-CG 4.1Å |
| 618 | K | 94.9 | Very high | 91.4 | Very high | 55 Ų | 55 | 36.8 Ų | 36.8 | 24% | 0.239 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 136.5 | -178.8 | -164.4 | -172.1 | 173.8 | -176.3 | 0 | 110.6 | Q623 Y625 K647 | K618-Q623 VanDerWaalsContact CE-OE1 3.23Å; K618-Y625 HydrophobicContact CB-CD1 3.89Å; K618-Y625 HydrophobicContact CB-CE1 3.62Å; K618-Y625 HydrophobicContact CG-CE1 4.19Å; K618-Y625 HydrophobicContact CG-CE2 4.33Å; K618-Y625 VanDerWaalsContact N-CD1 3.3Å; K618-K647 WeakPolarHBondContact CB-O 3.39Å; K618-K647 PolarHBondContact N-O 3.29Å |
| 619 | D | 90.6 | Very high | 90.9 | Very high | 31 Ų | 31 | 41.4 Ų | 41.4 | 17% | 0.166 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -70.8 | 146.7 | 169.6 | -64.9 | -47.1 | 0 | 0 | 0 | 111.1 | D621 K622 E624 T626 R632 | D619-D621 PolarHBondContact O-N 3.23Å; D619-K622 HydrophobicContact CB-CB 4.22Å; D619-E624 PolarHBondContact N-O 3.41Å; D619-T626 PolarHBondContact OD1-OG1 2.91Å; D619-T626 VanDerWaalsContact OD1-OG1 3.1Å; D619-R632 IonicContact OD1-CZ 2.79Å; D619-R632 IonicContact OD1-NH1 2.84Å; D619-R632 PolarHBondContact OD1-NH1 3.43Å; D619-R632 IonicContact OD2-CZ 3.83Å; D619-R632 IonicContact OD2-NH1 2.9Å; D619-R632 PolarHBondContact OD2-NH1 3.23Å |
| 620 | A | 82.7 | Confident | 90.5 | Very high | 99 Ų | 99 | 46.3 Ų | 46.3 | 82% | 0.818 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -63 | -42.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 621 | D | 80.9 | Confident | 90.2 | Very high | 161 Ų | 161 | 47.6 Ų | 47.6 | 86% | 0.861 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -100.5 | -8.3 | -169.6 | -52.9 | -52.5 | 0 | 0 | 0 | 113.9 | D619 | D619-D621 PolarHBondContact O-N 3.23Š|
| 622 | K | 80.8 | Confident | 90.1 | Very high | 125 Ų | 125 | 53.4 Ų | 53.4 | 54% | 0.543 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -127 | 154.3 | -172.3 | -62.4 | -175.6 | -180 | -177.7 | 0 | 111.8 | D619 E624 | D619-K622 HydrophobicContact CB-CB 4.22Å; K622-E624 HydrophobicContact CB-CB 4.09Å; K622-E624 HydrophobicContact CB-CG 4.35Å; K622-E624 PolarHBondContact O-N 3.36Å |
| 623 | Q | 83.5 | Confident | 90.2 | Very high | 119 Ų | 119 | 53.1 Ų | 53.1 | 56% | 0.556 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -83.3 | 41.6 | 167.7 | -59.5 | -65.2 | -5.1 | 0 | 0 | 111.1 | K618 S634 | K618-Q623 VanDerWaalsContact CE-OE1 3.23Å; Q623-S634 PolarHBondContact O-OG 3.22Å |
| 624 | E | 91.8 | Very high | 90.4 | Very high | 58 Ų | 58 | 52.9 Ų | 52.9 | 27% | 0.271 | 27% | 0.269 | S | S | . | . | trans | -125.1 | 154.7 | -178.4 | -68.5 | -179.6 | 170 | 0 | 0 | 109 | D619 K622 F633 | D619-E624 PolarHBondContact N-O 3.41Å; K622-E624 HydrophobicContact CB-CB 4.09Å; K622-E624 HydrophobicContact CB-CG 4.35Å; K622-E624 PolarHBondContact O-N 3.36Å; E624-F633 CarbonylContact C-O 3.52Å; E624-F633 WeakPolarHBondContact CA-O 3.2Å | ||
| 625 | Y | 95.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 137.5 | 179.1 | -71.8 | -101.5 | 0 | 0 | 0 | 109.2 | M617 K618 R632 F633 I635 P645 P646 V649 | M617-Y625 CarbonylContact O-C 3.56Å; M617-Y625 WeakPolarHBondContact O-CA 3.32Å; K618-Y625 HydrophobicContact CB-CD1 3.89Å; K618-Y625 HydrophobicContact CB-CE1 3.62Å; K618-Y625 HydrophobicContact CG-CE1 4.19Å; K618-Y625 HydrophobicContact CG-CE2 4.33Å; K618-Y625 VanDerWaalsContact N-CD1 3.3Å; Y625-R632 WeakPolarHBondContact O-CA 3.47Å; Y625-F633 HydrophobicContact CD2-CE2 4.35Å; Y625-F633 HydrophobicContact CG-CE2 4.19Å; Y625-F633 HydrophobicContact CG-CZ 4.1Å; Y625-F633 PolarHBondContact N-O 3.27Å; Y625-F633 PolarHBondContact O-N 2.64Å; Y625-F633 VanDerWaalsContact O-N 3.08Å; Y625-I635 HydrophobicContact CD2-CG1 4.46Å; Y625-I635 HydrophobicContact CE2-CD1 3.83Å; Y625-I635 HydrophobicContact CE2-CG1 3.77Å; Y625-I635 WeakPolarHBondContact OH-CD1 3.38Å; Y625-P645 HydrophobicContact CE2-CB 4.27Å; Y625-P645 VanDerWaalsContact OH-CB 3.23Å; Y625-P645 WeakPolarHBondContact OH-CB 3.26Å; Y625-P646 WeakPolarHBondContact OH-CD 3.35Å; Y625-P646 PolarHBondContact OH-O 2.8Å; Y625-V649 HydrophobicContact CD1-CB 4.39Å; Y625-V649 HydrophobicContact CD1-CG1 3.58Å; Y625-V649 HydrophobicContact CE1-CB 3.78Å; Y625-V649 HydrophobicContact CE1-CG1 3.43Å; Y625-V649 VanDerWaalsContact CE1-CG1 3.43Å; Y625-V649 HydrophobicContact CG-CG1 4.18Å |
| 626 | T | 94.6 | Very high | 90.3 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 6% | 0.061 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 115.2 | 159.6 | -52.5 | 0 | 0 | 0 | 0 | 107.9 | G616 M617 D619 R632 L708 | G616-T626 CarbonylContact C-O 3.54Å; G616-T626 VanDerWaalsContact CA-O 3.28Å; G616-T626 WeakPolarHBondContact CA-O 3.45Å; M617-T626 PolarHBondContact N-O 3.4Å; M617-T626 PolarHBondContact O-N 3.06Å; D619-T626 PolarHBondContact OD1-OG1 2.91Å; D619-T626 VanDerWaalsContact OD1-OG1 3.1Å; T626-R632 PolarHBondContact OG1-NH1 2.84Å; T626-R632 PolarHBondContact OG1-NH2 3.5Å; T626-L708 HydrophobicContact CG2-CD2 3.79Å; T626-L708 WeakPolarHBondContact O-CD2 3.22Å |
| 627 | G | 92.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -176.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I615 R629 N630 A631 | I615-G627 VanDerWaalsContact O-CA 3.28Å; I615-G627 WeakPolarHBondContact O-CA 3.28Å; G627-R629 PolarHBondContact O-N 3.17Å; G627-N630 PolarHBondContact O-N 2.78Å; G627-N630 VanDerWaalsContact O-N 3.14Å; G627-A631 WeakPolarHBondContact CA-O 3.27Å; G627-A631 PolarHBondContact N-O 2.98Å |
| 628 | A | 88 | Confident | 89.4 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -50.8 | 135.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S613 N630 A631 Y706 | S613-A628 VanDerWaalsContact O-CB 3.3Å; S613-A628 WeakPolarHBondContact O-CB 3.35Å; A628-N630 VanDerWaalsContact C-N 3.25Å; A628-N630 PolarHBondContact O-N 2.85Å; A628-A631 PolarHBondContact O-N 3.11Å; A628-Y706 HydrophobicContact CB-CD2 3.9Å; A628-Y706 HydrophobicContact CB-CG 3.97Å |
| 629 | R | 86 | Confident | 89.2 | Confident | 98 Ų | 98 | 55.7 Ų | 55.7 | 37% | 0.37 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | 60 | 34.3 | 179.6 | -48.7 | 175.1 | -172.8 | 86.7 | -2.9 | 112.7 | E452 G627 A631 Y706 | E452-R629 IonicContact OE1-NH2 3.52Å; E452-R629 PolarHBondContact OE1-NH2 2.8Å; E452-R629 IonicContact OE2-NH2 2.77Å; G627-R629 PolarHBondContact O-N 3.17Å; R629-A631 PolarHBondContact O-N 3.37Å; R629-Y706 WeakPolarHBondContact CA-O 3.37Å; R629-Y706 PolarHBondContact N-O 3Å |
| 630 | N | 86.8 | Confident | 89 | Confident | 109 Ų | 109 | 55.7 Ų | 55.7 | 58% | 0.583 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | 63.5 | 19.1 | 178.8 | -58.8 | -37.6 | 0 | 0 | 0 | 115.4 | G627 A628 R632 | G627-N630 PolarHBondContact O-N 2.78Å; G627-N630 VanDerWaalsContact O-N 3.14Å; A628-N630 VanDerWaalsContact C-N 3.25Å; A628-N630 PolarHBondContact O-N 2.85Å; N630-R632 PolarHBondContact O-N 2.98Å |
| 631 | A | 88.6 | Confident | 89.5 | Confident | 27 Ų | 27 | 51.1 Ų | 51.1 | 22% | 0.223 | 27% | 0.267 | C | S | . | . | trans | -63 | 135.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | G627 A628 R629 L660 | G627-A631 WeakPolarHBondContact CA-O 3.27Å; G627-A631 PolarHBondContact N-O 2.98Å; A628-A631 PolarHBondContact O-N 3.11Å; R629-A631 PolarHBondContact O-N 3.37Å; A631-L660 HydrophobicContact CB-CD2 4.32Å | ||
| 632 | R | 92.6 | Very high | 89.9 | Confident | 125 Ų | 125 | 47.5 Ų | 47.5 | 47% | 0.472 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.8 | 177.6 | -63.6 | -69.9 | 175.2 | 163.7 | -9.3 | 110 | D619 Y625 T626 N630 L660 | D619-R632 IonicContact OD1-CZ 2.79Å; D619-R632 IonicContact OD1-NH1 2.84Å; D619-R632 PolarHBondContact OD1-NH1 3.43Å; D619-R632 IonicContact OD2-CZ 3.83Å; D619-R632 IonicContact OD2-NH1 2.9Å; D619-R632 PolarHBondContact OD2-NH1 3.23Å; Y625-R632 WeakPolarHBondContact O-CA 3.47Å; T626-R632 PolarHBondContact OG1-NH1 2.84Å; T626-R632 PolarHBondContact OG1-NH2 3.5Å; N630-R632 PolarHBondContact O-N 2.98Å; R632-L660 WeakPolarHBondContact O-CB 3.48Å |
| 633 | F | 94.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 160.3 | 179.6 | 72.5 | -87.4 | 0 | 0 | 0 | 112.6 | E624 Y625 V649 V651 L654 L660 | E624-F633 CarbonylContact C-O 3.52Å; E624-F633 WeakPolarHBondContact CA-O 3.2Å; Y625-F633 HydrophobicContact CD2-CE2 4.35Å; Y625-F633 HydrophobicContact CG-CE2 4.19Å; Y625-F633 HydrophobicContact CG-CZ 4.1Å; Y625-F633 PolarHBondContact N-O 3.27Å; Y625-F633 PolarHBondContact O-N 2.64Å; Y625-F633 VanDerWaalsContact O-N 3.08Å; F633-V649 HydrophobicContact CE2-CG1 4.07Å; F633-V649 HydrophobicContact CZ-CG1 3.89Å; F633-V651 HydrophobicContact CE2-CG1 4.03Å; F633-V651 HydrophobicContact CE2-CG2 4.46Å; F633-L654 HydrophobicContact CB-CD2 3.96Å; F633-L654 HydrophobicContact CD1-CD2 3.9Å; F633-L654 HydrophobicContact CD2-CD2 3.83Å; F633-L654 HydrophobicContact CE1-CD2 4.3Å; F633-L654 HydrophobicContact CE2-CD2 4.25Å; F633-L654 HydrophobicContact CG-CD2 3.63Å; F633-L654 HydrophobicContact CZ-CD2 4.46Å; F633-L660 WeakPolarHBondContact CA-O 3.38Å; F633-L660 HydrophobicContact CB-CB 4.02Å; F633-L660 HydrophobicContact CB-CD2 3.88Å; F633-L660 HydrophobicContact CB-CG 3.72Å; F633-L660 WeakPolarHBondContact CB-O 3.32Å |
| 634 | S | 94.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 153.3 | 170.4 | -66.2 | 0 | 0 | 0 | 0 | 110.8 | Q623 R659 L660 W661 G662 | Q623-S634 PolarHBondContact O-OG 3.22Å; S634-R659 VanDerWaalsContact CB-NH2 3.3Å; S634-R659 VanDerWaalsContact OG-CZ 3.23Å; S634-R659 PolarHBondContact OG-NH1 3.34Å; S634-R659 PolarHBondContact OG-NH2 3.19Å; S634-L660 PolarHBondContact N-O 2.9Å; S634-W661 CarbonylContact O-C 3.23Å; S634-W661 WeakPolarHBondContact O-CA 3.37Å; S634-G662 PolarHBondContact O-N 3.29Å |
| 635 | I | 94.8 | Very high | 90.5 | Very high | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 136.1 | 171.2 | -66.6 | 178.7 | 0 | 0 | 0 | 109.3 | Y625 L641 F642 P645 V649 W661 A665 | Y625-I635 HydrophobicContact CD2-CG1 4.46Å; Y625-I635 HydrophobicContact CE2-CD1 3.83Å; Y625-I635 HydrophobicContact CE2-CG1 3.77Å; Y625-I635 WeakPolarHBondContact OH-CD1 3.38Å; I635-L641 HydrophobicContact CD1-CB 4.06Å; I635-F642 HydrophobicContact CG2-CB 4.46Å; I635-F642 VanDerWaalsContact O-CD2 3.23Å; I635-F642 WeakPolarHBondContact O-CD2 3.3Å; I635-F642 WeakPolarHBondContact O-CE2 3.39Å; I635-P645 HydrophobicContact CD1-CB 4.1Å; I635-V649 HydrophobicContact CD1-CG2 4.02Å; I635-W661 VanDerWaalsContact O-CZ3 3.27Å; I635-W661 WeakPolarHBondContact O-CZ3 3.48Å; I635-A665 HydrophobicContact CD1-CB 4.25Å; I635-A665 HydrophobicContact CG1-CB 4.37Å; I635-A665 HydrophobicContact CG2-CB 4.22Å |
| 636 | F | 91.9 | Very high | 90.5 | Very high | 74 Ų | 74 | 53.1 Ų | 53.1 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | trans | -62.9 | 138.7 | 178.6 | -176.3 | -108 | 0 | 0 | 0 | 111.7 | G638 S639 W661 G662 R663 | F636-G638 VanDerWaalsContact CD1-N 3.31Å; F636-G638 PolarHBondContact O-N 2.91Å; F636-S639 VanDerWaalsContact O-CB 3.25Å; F636-S639 WeakPolarHBondContact O-CB 3.44Å; F636-S639 PolarHBondContact O-N 3.34Å; F636-W661 HydrophobicContact CB-CB 4.49Å; F636-W661 HydrophobicContact CD2-CB 4.32Å; F636-W661 HydrophobicContact CD2-CD2 4.32Å; F636-W661 HydrophobicContact CD2-CG 4.24Å; F636-G662 WeakPolarHBondContact CB-O 3.49Å; F636-G662 PolarHBondContact N-O 3.01Å; F636-R663 HydrophobicContact CB-CG 3.87Å; F636-R663 HydrophobicContact CG-CG 4.1Å | ||
| 637 | P | 88.1 | Confident | 90.5 | Very high | 65 Ų | 65 | 60.8 Ų | 60.8 | 42% | 0.422 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -21.3 | -175.5 | -27.1 | 36.6 | 0 | 0 | 0 | 115.9 | S639 F642 W661 | P637-S639 VanDerWaalsContact C-N 3.29Å; P637-F642 HydrophobicContact CB-CD1 4.29Å; P637-F642 HydrophobicContact CB-CD2 4.35Å; P637-F642 HydrophobicContact CB-CE1 4.16Å; P637-F642 HydrophobicContact CB-CE2 4.21Å; P637-F642 HydrophobicContact CB-CG 4.38Å; P637-F642 HydrophobicContact CB-CZ 4.11Å; P637-F642 HydrophobicContact CG-CD2 4.39Å; P637-F642 HydrophobicContact CG-CE2 3.91Å; P637-F642 HydrophobicContact CG-CZ 3.99Å; P637-W661 HydrophobicContact CG-CH2 4Å; P637-W661 HydrophobicContact CG-CZ3 4.09Å |
| 638 | G | 85.3 | Confident | 90.7 | Very high | 36 Ų | 36 | 62.1 Ų | 62.1 | 37% | 0.371 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -9.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F636 | F636-G638 VanDerWaalsContact CD1-N 3.31Å; F636-G638 PolarHBondContact O-N 2.91Å |
| 639 | S | 90.1 | Very high | 91.2 | Very high | 11 Ų | 11 | 61.7 Ų | 61.7 | 8% | 0.077 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -72.5 | 143.9 | 178 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | D535 F636 P637 L641 F642 | D535-S639 VanDerWaalsContact CG-OG 3.29Å; D535-S639 PolarHBondContact OD1-OG 3Å; D535-S639 WeakPolarHBondContact OD2-CA 3.49Å; D535-S639 WeakPolarHBondContact OD2-CB 3.17Å; D535-S639 PolarHBondContact OD2-OG 2.75Å; F636-S639 VanDerWaalsContact O-CB 3.25Å; F636-S639 WeakPolarHBondContact O-CB 3.44Å; F636-S639 PolarHBondContact O-N 3.34Å; P637-S639 VanDerWaalsContact C-N 3.29Å; S639-L641 PolarHBondContact O-N 3.23Å; S639-L641 PolarHBondContact OG-N 2.96Å; S639-L641 VanDerWaalsContact OG-N 3.13Å; S639-F642 WeakPolarHBondContact O-CB 3.38Å; S639-F642 PolarHBondContact O-N 2.96Å |
| 640 | G | 87.1 | Confident | 91.7 | Very high | 31 Ų | 31 | 57 Ų | 57 | 32% | 0.32 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113 | D535 | D535-G640 PolarHBondContact OD1-N 3.03Š|
| 641 | L | 92.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -6.8 | -176.9 | -69.4 | 73.6 | 0 | 0 | 0 | 113 | I635 S639 K643 K644 P645 P646 V649 A665 | I635-L641 HydrophobicContact CD1-CB 4.06Å; S639-L641 PolarHBondContact O-N 3.23Å; S639-L641 PolarHBondContact OG-N 2.96Å; S639-L641 VanDerWaalsContact OG-N 3.13Å; L641-K643 VanDerWaalsContact C-N 3.32Å; L641-K643 PolarHBondContact O-N 3.09Å; L641-K644 CarbonylContact O-C 3.51Å; L641-K644 PolarHBondContact O-N 3.19Å; L641-P645 VanDerWaalsContact O-CA 3.27Å; L641-P645 WeakPolarHBondContact O-CA 3.16Å; L641-P645 VanDerWaalsContact O-N 3.08Å; L641-P646 HydrophobicContact CD2-CG 3.96Å; L641-V649 HydrophobicContact CD2-CG2 4.4Å; L641-A665 HydrophobicContact CD2-CB 4.28Å |
| 642 | F | 90.4 | Very high | 92.4 | Very high | 85 Ų | 85 | 51.4 Ų | 51.4 | 37% | 0.373 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -60.3 | -39.1 | -174.1 | -177.8 | -107.6 | 0 | 0 | 0 | 113.3 | I635 P637 S639 W661 | I635-F642 HydrophobicContact CG2-CB 4.46Å; I635-F642 VanDerWaalsContact O-CD2 3.23Å; I635-F642 WeakPolarHBondContact O-CD2 3.3Å; I635-F642 WeakPolarHBondContact O-CE2 3.39Å; P637-F642 HydrophobicContact CB-CD1 4.29Å; P637-F642 HydrophobicContact CB-CD2 4.35Å; P637-F642 HydrophobicContact CB-CE1 4.16Å; P637-F642 HydrophobicContact CB-CE2 4.21Å; P637-F642 HydrophobicContact CB-CG 4.38Å; P637-F642 HydrophobicContact CB-CZ 4.11Å; P637-F642 HydrophobicContact CG-CD2 4.39Å; P637-F642 HydrophobicContact CG-CE2 3.91Å; P637-F642 HydrophobicContact CG-CZ 3.99Å; S639-F642 WeakPolarHBondContact O-CB 3.38Å; S639-F642 PolarHBondContact O-N 2.96Å; F642-W661 HydrophobicContact CE2-CZ3 4.47Å |
| 643 | K | 87.6 | Confident | 92.3 | Very high | 193 Ų | 193 | 49 Ų | 49 | 84% | 0.839 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -76.4 | -31.6 | -178.9 | -66.2 | -172 | -179 | -176.6 | 0 | 113.3 | L641 P645 | L641-K643 VanDerWaalsContact C-N 3.32Å; L641-K643 PolarHBondContact O-N 3.09Å; K643-P645 VanDerWaalsContact C-CD 3.48Å |
| 644 | K | 89.7 | Confident | 92 | Very high | 187 Ų | 187 | 49.8 Ų | 49.8 | 81% | 0.813 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -131.9 | 70.4 | -179.5 | -68.6 | -170.7 | 179.8 | -174.8 | 0 | 110.1 | L641 | L641-K644 CarbonylContact O-C 3.51Å; L641-K644 PolarHBondContact O-N 3.19Å |
| 645 | P | 91.2 | Very high | 91.6 | Very high | 21 Ų | 21 | 50.1 Ų | 50.1 | 14% | 0.136 | 26% | 0.255 | C | S | . | . | trans | -68.9 | 130 | -174.9 | 21.1 | -27.6 | 0 | 0 | 0 | 111.2 | Y625 I635 L641 K643 | Y625-P645 HydrophobicContact CE2-CB 4.27Å; Y625-P645 VanDerWaalsContact OH-CB 3.23Å; Y625-P645 WeakPolarHBondContact OH-CB 3.26Å; I635-P645 HydrophobicContact CD1-CB 4.1Å; L641-P645 VanDerWaalsContact O-CA 3.27Å; L641-P645 WeakPolarHBondContact O-CA 3.16Å; L641-P645 VanDerWaalsContact O-N 3.08Å; K643-P645 VanDerWaalsContact C-CD 3.48Å | ||
| 646 | P | 94.1 | Very high | 91.1 | Very high | 21 Ų | 21 | 53.2 Ų | 53.2 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | trans | -69.3 | 169.8 | -179.5 | 30.2 | -37.1 | 0 | 0 | 0 | 112.7 | Y625 L641 W648 V649 R667 | Y625-P646 WeakPolarHBondContact OH-CD 3.35Å; Y625-P646 PolarHBondContact OH-O 2.8Å; L641-P646 HydrophobicContact CD2-CG 3.96Å; P646-W648 WeakPolarHBondContact CG-O 3.23Å; P646-V649 HydrophobicContact CG-CB 4.27Å; P646-V649 HydrophobicContact CG-CG2 4.3Å; P646-R667 HydrophobicContact CB-CB 3.98Å; P646-R667 HydrophobicContact CB-CG 3.82Å; P646-R667 HydrophobicContact CG-CB 4.03Å; P646-R667 HydrophobicContact CG-CG 4.38Å | ||
| 647 | K | 94.6 | Very high | 90.2 | Very high | 172 Ų | 172 | 53 Ų | 53 | 75% | 0.748 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -68 | -36.9 | 174.7 | -72.6 | -175 | 177.5 | -179 | 0 | 112.6 | K618 | K618-K647 WeakPolarHBondContact CB-O 3.39Å; K618-K647 PolarHBondContact N-O 3.29Å |
| 648 | W | 97.1 | Very high | 89.7 | Confident | 28 Ų | 28 | 55.1 Ų | 55.1 | 11% | 0.106 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138.3 | 177.8 | -77.8 | 88.2 | 0 | 0 | 0 | 109.6 | I615 G616 M617 P646 I668 P670 L708 P709 I710 | I615-W648 HydrophobicContact CD1-CZ3 4.39Å; G616-W648 WeakPolarHBondContact O-CA 3.38Å; M617-W648 HydrophobicContact CB-CD2 4.11Å; M617-W648 HydrophobicContact CB-CE3 4.14Å; M617-W648 HydrophobicContact CB-CH2 3.92Å; M617-W648 HydrophobicContact CB-CZ2 3.85Å; M617-W648 HydrophobicContact CB-CZ3 4.05Å; M617-W648 HydrophobicContact CG-CD2 4.3Å; M617-W648 HydrophobicContact CG-CH2 4.33Å; M617-W648 HydrophobicContact CG-CZ2 3.76Å; M617-W648 HydrophobicContact SD-CH2 4.33Å; M617-W648 HydrophobicContact SD-CZ2 3.68Å; P646-W648 WeakPolarHBondContact CG-O 3.23Å; W648-I668 HydrophobicContact CB-CG1 3.86Å; W648-I668 VanDerWaalsContact CB-O 3.28Å; W648-I668 WeakPolarHBondContact CB-O 3.26Å; W648-I668 PolarHBondContact O-N 2.87Å; W648-P670 HydrophobicContact CD2-CB 4.16Å; W648-P670 HydrophobicContact CZ2-CB 4.1Å; W648-L708 HydrophobicContact CH2-CB 4.08Å; W648-L708 HydrophobicContact CZ3-CB 4.29Å; W648-L708 HydrophobicContact CZ3-CD1 4.33Å; W648-P709 VanDerWaalsContact CZ2-O 3.31Å; W648-P709 WeakPolarHBondContact CZ2-O 3.26Å; W648-I710 HydrophobicContact CH2-CG2 4.08Å; W648-I710 HydrophobicContact CZ3-CG2 4.3Å |
| 649 | V | 97.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 150.1 | -176.5 | 79 | 0 | 0 | 0 | 0 | 110.3 | I615 G616 Y625 F633 I635 L641 P646 V651 A665 A666 | I615-V649 CarbonylContact C-O 3.53Å; I615-V649 VanDerWaalsContact CA-O 3.27Å; I615-V649 WeakPolarHBondContact CA-O 3.17Å; G616-V649 PolarHBondContact N-O 3.26Å; G616-V649 PolarHBondContact O-N 2.88Å; Y625-V649 HydrophobicContact CD1-CB 4.39Å; Y625-V649 HydrophobicContact CD1-CG1 3.58Å; Y625-V649 HydrophobicContact CE1-CB 3.78Å; Y625-V649 HydrophobicContact CE1-CG1 3.43Å; Y625-V649 VanDerWaalsContact CE1-CG1 3.43Å; Y625-V649 HydrophobicContact CG-CG1 4.18Å; F633-V649 HydrophobicContact CE2-CG1 4.07Å; F633-V649 HydrophobicContact CZ-CG1 3.89Å; I635-V649 HydrophobicContact CD1-CG2 4.02Å; L641-V649 HydrophobicContact CD2-CG2 4.4Å; P646-V649 HydrophobicContact CG-CB 4.27Å; P646-V649 HydrophobicContact CG-CG2 4.3Å; V649-V651 HydrophobicContact CG1-CG1 4.37Å; V649-V651 HydrophobicContact CG2-CG1 4.36Å; V649-A665 HydrophobicContact CG2-CB 3.83Å; V649-A666 CarbonylContact C-O 3.59Å; V649-A666 VanDerWaalsContact CA-O 3.25Å; V649-A666 WeakPolarHBondContact CA-O 3.43Å; V649-A666 WeakPolarHBondContact CG2-O 3.41Å |
| 650 | M | 97.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 147.1 | 157.2 | 71.9 | -175 | -164.8 | 0 | 0 | 109.4 | F536 H604 L607 L608 L611 I615 A665 A666 I668 | F536-M650 HydrophobicContact CD2-CE 3.77Å; F536-M650 HydrophobicContact CE2-CE 3.52Å; F536-M650 HydrophobicContact CE2-CG 4.11Å; F536-M650 HydrophobicContact CZ-CE 4.12Å; H604-M650 HydrophobicContact CB-CE 4.15Å; H604-M650 WeakPolarHBondContact CD2-CE 3.31Å; L607-M650 HydrophobicContact CB-CE 3.47Å; L607-M650 VanDerWaalsContact CB-CE 3.47Å; L607-M650 HydrophobicContact CB-SD 4.15Å; L607-M650 HydrophobicContact CD1-CE 3.45Å; L607-M650 VanDerWaalsContact CD1-CE 3.45Å; L607-M650 HydrophobicContact CG-CE 4.11Å; L608-M650 HydrophobicContact CD2-CB 4.17Å; L608-M650 HydrophobicContact CD2-SD 3.96Å; L608-M650 HydrophobicContact CG-SD 3.93Å; L611-M650 HydrophobicContact CD1-SD 4.45Å; I615-M650 HydrophobicContact CG2-CB 4.23Å; M650-A665 CarbonylContact O-C 3.6Å; M650-A665 WeakPolarHBondContact O-CA 3.37Å; M650-A666 HydrophobicContact CE-CB 4.14Å; M650-A666 HydrophobicContact CG-CB 4.34Å; M650-A666 PolarHBondContact N-O 3.21Å; M650-A666 PolarHBondContact O-N 2.92Å; M650-I668 HydrophobicContact CB-CD1 4.34Å; M650-I668 HydrophobicContact CB-CG2 3.95Å; M650-I668 HydrophobicContact CG-CG2 3.69Å; M650-I668 HydrophobicContact SD-CG2 3.69Å |
| 651 | V | 96.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 147.9 | 176.5 | -57.3 | 0 | 0 | 0 | 0 | 111 | H614 F633 V649 L654 I664 A665 | H614-V651 HydrophobicContact CB-CG2 3.99Å; H614-V651 WeakPolarHBondContact CB-O 3.29Å; H614-V651 PolarHBondContact O-N 3.4Å; F633-V651 HydrophobicContact CE2-CG1 4.03Å; F633-V651 HydrophobicContact CE2-CG2 4.46Å; V649-V651 HydrophobicContact CG1-CG1 4.37Å; V649-V651 HydrophobicContact CG2-CG1 4.36Å; V651-L654 HydrophobicContact CG2-CD2 3.75Å; V651-L654 HydrophobicContact CG2-CG 3.98Å; V651-I664 WeakPolarHBondContact CA-O 3.41Å; V651-A665 HydrophobicContact CG1-CB 3.92Å |
| 652 | A | 93.5 | Very high | 90 | Very high | 18 Ų | 18 | 58.1 Ų | 58.1 | 15% | 0.149 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | -43.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L506 F536 H614 R663 I664 | L506-A652 HydrophobicContact CD1-CB 4.31Å; L506-A652 HydrophobicContact CD2-CB 3.86Å; F536-A652 HydrophobicContact CE1-CB 3.78Å; F536-A652 HydrophobicContact CZ-CB 3.96Å; H614-A652 PolarHBondContact ND1-O 3.01Å; A652-R663 PolarHBondContact N-O 3.27Å; A652-R663 VanDerWaalsContact N-O 3.07Å; A652-I664 HydrophobicContact CB-CB 3.79Å; A652-I664 HydrophobicContact CB-CD1 4.31Å; A652-I664 HydrophobicContact CB-CG2 4.24Å; A652-I664 PolarHBondContact N-O 3.3Å |
| 653 | E | 89.2 | Confident | 90.1 | Very high | 74 Ų | 74 | 57.2 Ų | 57.2 | 35% | 0.346 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 147.3 | -176.7 | 62 | 179.9 | -175.7 | 0 | 0 | 112.1 | V655 G662 R663 | E653-V655 HydrophobicContact CB-CG2 4.2Å; E653-V655 HydrophobicContact CG-CG2 3.9Å; E653-G662 WeakPolarHBondContact O-CA 3.34Å; E653-R663 HydrophobicContact CG-CB 3.68Å; E653-R663 HydrophobicContact CG-CG 4.35Å; E653-R663 PolarHBondContact N-O 3.45Å; E653-R663 PolarHBondContact O-N 3.21Å; E653-R663 WeakPolarHBondContact OE1-CD 3.5Å; E653-R663 IonicContact OE1-NH1 2.68Å |
| 654 | L | 89.7 | Confident | 90.4 | Very high | 20 Ų | 20 | 49.9 Ų | 49.9 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 109.1 | 170.9 | -71.5 | 170.8 | 0 | 0 | 0 | 108.2 | F633 V651 L660 W661 | F633-L654 HydrophobicContact CB-CD2 3.96Å; F633-L654 HydrophobicContact CD1-CD2 3.9Å; F633-L654 HydrophobicContact CD2-CD2 3.83Å; F633-L654 HydrophobicContact CE1-CD2 4.3Å; F633-L654 HydrophobicContact CE2-CD2 4.25Å; F633-L654 HydrophobicContact CG-CD2 3.63Å; F633-L654 HydrophobicContact CZ-CD2 4.46Å; V651-L654 HydrophobicContact CG2-CD2 3.75Å; V651-L654 HydrophobicContact CG2-CG 3.98Å; L654-L660 HydrophobicContact CB-CD1 4.15Å; L654-L660 HydrophobicContact CD2-CG 4.46Å; L654-W661 WeakPolarHBondContact CA-O 3.38Å |
| 655 | V | 84.8 | Confident | 90.8 | Very high | 9 Ų | 9 | 41 Ų | 41 | 6% | 0.055 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 127.3 | -174.3 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | L364 E653 T657 W661 | L364-V655 HydrophobicContact CD1-CG1 4.3Å; E653-V655 HydrophobicContact CB-CG2 4.2Å; E653-V655 HydrophobicContact CG-CG2 3.9Å; V655-T657 HydrophobicContact CG1-CG2 4.47Å; V655-W661 PolarHBondContact N-O 3.44Å; V655-W661 PolarHBondContact O-N 2.91Å |
| 656 | E | 83.4 | Confident | 91.1 | Very high | 70 Ų | 70 | 40 Ų | 40 | 33% | 0.327 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 124.5 | 176.8 | -162.7 | 174.5 | 173 | 0 | 0 | 111 | V361 Q362 R363 L660 | V361-E656 HydrophobicContact CG1-CB 4.05Å; Q362-E656 PolarHBondContact O-N 2.99Å; R363-E656 HydrophobicContact CB-CB 4.42Å; R363-E656 WeakPolarHBondContact CD-OE2 3.21Å; R363-E656 HydrophobicContact CG-CB 3.95Å; R363-E656 WeakPolarHBondContact CG-OE2 3.48Å; E656-L660 HydrophobicContact CB-CD1 4.11Å |
| 657 | T | 74.5 | Confident | 91.3 | Very high | 71 Ų | 71 | 42.7 Ų | 42.7 | 44% | 0.436 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -122.9 | -88.8 | 169.5 | 57.1 | 0 | 0 | 0 | 0 | 110 | V655 R659 W661 | V655-T657 HydrophobicContact CG1-CG2 4.47Å; T657-R659 PolarHBondContact N-O 3.42Å; T657-W661 PolarHBondContact OG1-NE1 3.43Å |
| 658 | S | 78.1 | Confident | 91.4 | Very high | 108 Ų | 108 | 34.6 Ų | 34.6 | 76% | 0.755 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -86.2 | -27.4 | 169.5 | 54.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 659 | R | 84.5 | Confident | 91.4 | Very high | 95 Ų | 95 | 35 Ų | 35 | 36% | 0.358 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -152.2 | 176 | 170.4 | 64.5 | -179.5 | -172.6 | 175.2 | 3 | 108.4 | S634 T657 W661 | S634-R659 VanDerWaalsContact CB-NH2 3.3Å; S634-R659 VanDerWaalsContact OG-CZ 3.23Å; S634-R659 PolarHBondContact OG-NH1 3.34Å; S634-R659 PolarHBondContact OG-NH2 3.19Å; T657-R659 PolarHBondContact N-O 3.42Å; R659-W661 HydrophobicContact CG-CD2 4.13Å; R659-W661 HydrophobicContact CG-CH2 4.45Å; R659-W661 HydrophobicContact CG-CZ2 3.72Å; R659-W661 VanDerWaalsContact CZ-CH2 3.44Å; R659-W661 PolarHBondContact O-N 3.41Å; R659-W661 PolarHBondContact O-NE1 2.98Å |
| 660 | L | 88.9 | Confident | 91.2 | Very high | 21 Ų | 21 | 36.5 Ų | 36.5 | 11% | 0.11 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 118.6 | 177.1 | -168.7 | 59.7 | 0 | 0 | 0 | 110.6 | V361 A631 R632 F633 S634 L654 E656 | V361-L660 HydrophobicContact CB-CD1 4.44Å; V361-L660 HydrophobicContact CG1-CD1 3.57Å; V361-L660 HydrophobicContact CG2-CD1 3.92Å; V361-L660 HydrophobicContact CG2-CD2 4.19Å; A631-L660 HydrophobicContact CB-CD2 4.32Å; R632-L660 WeakPolarHBondContact O-CB 3.48Å; F633-L660 WeakPolarHBondContact CA-O 3.38Å; F633-L660 HydrophobicContact CB-CB 4.02Å; F633-L660 HydrophobicContact CB-CD2 3.88Å; F633-L660 HydrophobicContact CB-CG 3.72Å; F633-L660 WeakPolarHBondContact CB-O 3.32Å; S634-L660 PolarHBondContact N-O 2.9Å; L654-L660 HydrophobicContact CB-CD1 4.15Å; L654-L660 HydrophobicContact CD2-CG 4.46Å; E656-L660 HydrophobicContact CB-CD1 4.11Å |
| 661 | W | 92.3 | Very high | 91.1 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 10% | 0.102 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.8 | -179.8 | -64.4 | 104.9 | 0 | 0 | 0 | 111 | S634 I635 F636 P637 F642 L654 V655 T657 R659 | S634-W661 CarbonylContact O-C 3.23Å; S634-W661 WeakPolarHBondContact O-CA 3.37Å; I635-W661 VanDerWaalsContact O-CZ3 3.27Å; I635-W661 WeakPolarHBondContact O-CZ3 3.48Å; F636-W661 HydrophobicContact CB-CB 4.49Å; F636-W661 HydrophobicContact CD2-CB 4.32Å; F636-W661 HydrophobicContact CD2-CD2 4.32Å; F636-W661 HydrophobicContact CD2-CG 4.24Å; P637-W661 HydrophobicContact CG-CH2 4Å; P637-W661 HydrophobicContact CG-CZ3 4.09Å; F642-W661 HydrophobicContact CE2-CZ3 4.47Å; L654-W661 WeakPolarHBondContact CA-O 3.38Å; V655-W661 PolarHBondContact N-O 3.44Å; V655-W661 PolarHBondContact O-N 2.91Å; T657-W661 PolarHBondContact OG1-NE1 3.43Å; R659-W661 HydrophobicContact CG-CD2 4.13Å; R659-W661 HydrophobicContact CG-CH2 4.45Å; R659-W661 HydrophobicContact CG-CZ2 3.72Å; R659-W661 VanDerWaalsContact CZ-CH2 3.44Å; R659-W661 PolarHBondContact O-N 3.41Å; R659-W661 PolarHBondContact O-NE1 2.98Å |
| 662 | G | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 120 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | S634 F636 E653 | S634-G662 PolarHBondContact O-N 3.29Å; F636-G662 WeakPolarHBondContact CB-O 3.49Å; F636-G662 PolarHBondContact N-O 3.01Å; E653-G662 WeakPolarHBondContact O-CA 3.34Å |
| 663 | R | 92.8 | Very high | 91.1 | Very high | 66 Ų | 66 | 42.2 Ų | 42.2 | 25% | 0.249 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 146.7 | -179.8 | -61.2 | 173.4 | 165.5 | -158.9 | -0.1 | 110.8 | F636 A652 E653 | F636-R663 HydrophobicContact CB-CG 3.87Å; F636-R663 HydrophobicContact CG-CG 4.1Å; A652-R663 PolarHBondContact N-O 3.27Å; A652-R663 VanDerWaalsContact N-O 3.07Å; E653-R663 HydrophobicContact CG-CB 3.68Å; E653-R663 HydrophobicContact CG-CG 4.35Å; E653-R663 PolarHBondContact N-O 3.45Å; E653-R663 PolarHBondContact O-N 3.21Å; E653-R663 WeakPolarHBondContact OE1-CD 3.5Å; E653-R663 IonicContact OE1-NH1 2.68Å |
| 664 | I | 94.8 | Very high | 91.3 | Very high | 39 Ų | 39 | 39.9 Ų | 39.9 | 20% | 0.2 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.6 | 82.7 | -175.5 | -51 | 170.8 | 0 | 0 | 0 | 108.9 | L506 D535 F536 F539 V651 A652 | L506-I664 HydrophobicContact CD2-CD1 3.39Å; L506-I664 HydrophobicContact CD2-CG2 4.29Å; D535-I664 HydrophobicContact CB-CB 4.42Å; D535-I664 HydrophobicContact CB-CG2 3.86Å; F536-I664 HydrophobicContact CD1-CG2 3.75Å; F536-I664 HydrophobicContact CD2-CG2 4.41Å; F536-I664 HydrophobicContact CE1-CG2 3.77Å; F536-I664 HydrophobicContact CE2-CG2 4.4Å; F536-I664 WeakPolarHBondContact CE2-O 3.39Å; F536-I664 HydrophobicContact CG-CG2 4.1Å; F536-I664 HydrophobicContact CZ-CG2 4.1Å; F536-I664 VanDerWaalsContact CZ-O 3.28Å; F536-I664 WeakPolarHBondContact CZ-O 3.22Å; F539-I664 HydrophobicContact CE2-CD1 4.1Å; F539-I664 HydrophobicContact CE2-CG2 4.08Å; F539-I664 HydrophobicContact CZ-CD1 4.33Å; V651-I664 WeakPolarHBondContact CA-O 3.41Å; A652-I664 HydrophobicContact CB-CB 3.79Å; A652-I664 HydrophobicContact CB-CD1 4.31Å; A652-I664 HydrophobicContact CB-CG2 4.24Å; A652-I664 PolarHBondContact N-O 3.3Å |
| 665 | A | 97.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 151.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D535 I635 L641 V649 M650 V651 | D535-A665 WeakPolarHBondContact CB-O 3.34Å; D535-A665 PolarHBondContact N-O 2.89Å; D535-A665 PolarHBondContact OD2-N 3.44Å; I635-A665 HydrophobicContact CD1-CB 4.25Å; I635-A665 HydrophobicContact CG1-CB 4.37Å; I635-A665 HydrophobicContact CG2-CB 4.22Å; L641-A665 HydrophobicContact CD2-CB 4.28Å; V649-A665 HydrophobicContact CG2-CB 3.83Å; M650-A665 CarbonylContact O-C 3.6Å; M650-A665 WeakPolarHBondContact O-CA 3.37Å; V651-A665 HydrophobicContact CG1-CB 3.92Å |
| 666 | A | 98.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 149.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113 | E533 S534 F536 H604 V649 M650 | E533-A666 CarbonylContact O-C 3.56Å; E533-A666 VanDerWaalsContact O-CA 3.27Å; E533-A666 WeakPolarHBondContact O-CA 3.49Å; S534-A666 WeakPolarHBondContact OG-CB 3.5Å; F536-A666 HydrophobicContact CD2-CB 3.63Å; F536-A666 HydrophobicContact CE2-CB 3.85Å; H604-A666 WeakPolarHBondContact CD2-CB 3.31Å; H604-A666 VanDerWaalsContact NE2-CB 3.3Å; H604-A666 WeakPolarHBondContact NE2-CB 3.45Å; V649-A666 CarbonylContact C-O 3.59Å; V649-A666 VanDerWaalsContact CA-O 3.25Å; V649-A666 WeakPolarHBondContact CA-O 3.43Å; V649-A666 WeakPolarHBondContact CG2-O 3.41Å; M650-A666 HydrophobicContact CE-CB 4.14Å; M650-A666 HydrophobicContact CG-CB 4.34Å; M650-A666 PolarHBondContact N-O 3.21Å; M650-A666 PolarHBondContact O-N 2.92Å |
| 667 | R | 97.8 | Very high | 92.2 | Very high | 79 Ų | 79 | 40.2 Ų | 40.2 | 30% | 0.298 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 138.4 | 171.2 | 178.7 | -176 | 177.4 | -76.3 | -6.1 | 109.4 | E533 Y600 P646 D669 | E533-R667 HydrophobicContact CB-CB 4.38Å; E533-R667 PolarHBondContact O-N 3.06Å; Y600-R667 PolarHBondContact OH-N 3.06Å; Y600-R667 PolarHBondContact OH-O 2.88Å; P646-R667 HydrophobicContact CB-CB 3.98Å; P646-R667 HydrophobicContact CB-CG 3.82Å; P646-R667 HydrophobicContact CG-CB 4.03Å; P646-R667 HydrophobicContact CG-CG 4.38Å; R667-D669 IonicContact CZ-OD1 2.68Å; R667-D669 VanDerWaalsContact CZ-OD1 3.3Å; R667-D669 IonicContact CZ-OD2 3.43Å; R667-D669 IonicContact NH1-OD1 2.84Å; R667-D669 PolarHBondContact NH1-OD1 3.43Å; R667-D669 IonicContact NH1-OD2 3.13Å; R667-D669 PolarHBondContact NH1-OD2 3.27Å; R667-D669 IonicContact NH2-OD1 3.57Å; R667-D669 PolarHBondContact NH2-OD1 2.8Å; R667-D669 IonicContact NH2-OD2 2.79Å; R667-D669 PolarHBondContact NH2-OD2 3.1Å |
| 668 | I | 97.5 | Very high | 93 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | trans | -132.4 | 160.4 | 169.6 | 64.4 | 174.5 | 0 | 0 | 0 | 109 | L608 I615 W648 M650 W672 V673 | L608-I668 HydrophobicContact CD1-CG2 4.47Å; L608-I668 HydrophobicContact CD2-CD1 3.84Å; L608-I668 HydrophobicContact CD2-CG2 4.28Å; L608-I668 HydrophobicContact CG-CG2 4.45Å; I615-I668 HydrophobicContact CB-CD1 4.1Å; I615-I668 HydrophobicContact CG2-CD1 3.82Å; W648-I668 HydrophobicContact CB-CG1 3.86Å; W648-I668 VanDerWaalsContact CB-O 3.28Å; W648-I668 WeakPolarHBondContact CB-O 3.26Å; W648-I668 PolarHBondContact O-N 2.87Å; M650-I668 HydrophobicContact CB-CD1 4.34Å; M650-I668 HydrophobicContact CB-CG2 3.95Å; M650-I668 HydrophobicContact CG-CG2 3.69Å; M650-I668 HydrophobicContact SD-CG2 3.69Å; I668-W672 HydrophobicContact CB-CE3 4.11Å; I668-W672 HydrophobicContact CB-CZ3 4.27Å; I668-W672 HydrophobicContact CG2-CE3 4.45Å; I668-W672 HydrophobicContact CG2-CZ3 4.46Å; I668-V673 HydrophobicContact CD1-CG2 4.12Å | ||
| 669 | D | 96.4 | Very high | 93.5 | Very high | 37 Ų | 37 | 41.2 Ų | 41.2 | 20% | 0.198 | 19% | 0.194 | C | C | . | . | trans | -103.4 | 138.4 | 165.4 | -65.8 | -58.7 | 0 | 0 | 0 | 109.8 | R667 E671 W672 | R667-D669 IonicContact CZ-OD1 2.68Å; R667-D669 VanDerWaalsContact CZ-OD1 3.3Å; R667-D669 IonicContact CZ-OD2 3.43Å; R667-D669 IonicContact NH1-OD1 2.84Å; R667-D669 PolarHBondContact NH1-OD1 3.43Å; R667-D669 IonicContact NH1-OD2 3.13Å; R667-D669 PolarHBondContact NH1-OD2 3.27Å; R667-D669 IonicContact NH2-OD1 3.57Å; R667-D669 PolarHBondContact NH2-OD1 2.8Å; R667-D669 IonicContact NH2-OD2 2.79Å; R667-D669 PolarHBondContact NH2-OD2 3.1Å; D669-E671 HydrophobicContact CB-CG 3.78Å; D669-E671 PolarHBondContact O-N 3.11Å; D669-W672 HydrophobicContact CB-CD2 4.05Å; D669-W672 HydrophobicContact CB-CG 4.31Å; D669-W672 HydrophobicContact CB-CZ2 3.97Å; D669-W672 VanDerWaalsContact O-CB 3.28Å; D669-W672 WeakPolarHBondContact O-CB 3.31Å; D669-W672 PolarHBondContact O-N 2.87Å; D669-W672 WeakPolarHBondContact OD2-CZ2 3.31Å | ||
| 670 | P | 93.8 | Very high | 93.8 | Very high | 31 Ų | 31 | 38.3 Ų | 38.3 | 20% | 0.201 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -64.5 | -27 | -173.2 | 25.8 | -35 | 0 | 0 | 0 | 113.2 | W648 W672 V673 I710 | W648-P670 HydrophobicContact CD2-CB 4.16Å; W648-P670 HydrophobicContact CZ2-CB 4.1Å; P670-W672 PolarHBondContact O-N 3.3Å; P670-V673 WeakPolarHBondContact O-CB 3.35Å; P670-V673 PolarHBondContact O-N 3.48Å; P670-I710 HydrophobicContact CB-CB 4.34Å |
| 671 | E | 94.3 | Very high | 94 | Very high | 124 Ų | 124 | 38.4 Ų | 38.4 | 58% | 0.579 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -58.5 | -25.4 | 172.1 | 46.8 | 163.9 | -133.6 | 0 | 0 | 113.5 | D669 V673 P675 | D669-E671 HydrophobicContact CB-CG 3.78Å; D669-E671 PolarHBondContact O-N 3.11Å; E671-V673 VanDerWaalsContact C-N 3.27Å; E671-V673 PolarHBondContact O-N 3.48Å; E671-P675 WeakPolarHBondContact O-CD 3.39Å |
| 672 | W | 95.9 | Very high | 94 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 5% | 0.053 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -74.5 | -23.2 | 177.9 | -57.9 | -5.2 | 0 | 0 | 0 | 112 | Y600 R601 H604 I605 L608 I668 D669 P670 V676 | Y600-W672 AromaticContact CD1-CH2 3.9Å; Y600-W672 HydrophobicContact CD1-CH2 3.9Å; Y600-W672 HydrophobicContact CD1-CZ3 4.33Å; Y600-W672 AromaticContact CE1-CH2 3.79Å; Y600-W672 HydrophobicContact CE1-CH2 3.79Å; Y600-W672 AromaticContact CE1-CZ3 3.99Å; Y600-W672 HydrophobicContact CE1-CZ3 3.99Å; R601-W672 HydrophobicContact CB-CH2 4.4Å; R601-W672 HydrophobicContact CB-CZ2 4.18Å; R601-W672 HydrophobicContact CG-CD2 4.35Å; R601-W672 HydrophobicContact CG-CZ2 3.96Å; H604-W672 HydrophobicContact CB-CE3 4.33Å; H604-W672 HydrophobicContact CB-CZ3 3.92Å; I605-W672 HydrophobicContact CD1-CG 4.4Å; I605-W672 HydrophobicContact CG1-CB 3.96Å; I605-W672 HydrophobicContact CG1-CD2 4.33Å; I605-W672 HydrophobicContact CG1-CG 4.08Å; L608-W672 HydrophobicContact CD1-CB 3.85Å; I668-W672 HydrophobicContact CB-CE3 4.11Å; I668-W672 HydrophobicContact CB-CZ3 4.27Å; I668-W672 HydrophobicContact CG2-CE3 4.45Å; I668-W672 HydrophobicContact CG2-CZ3 4.46Å; D669-W672 HydrophobicContact CB-CD2 4.05Å; D669-W672 HydrophobicContact CB-CG 4.31Å; D669-W672 HydrophobicContact CB-CZ2 3.97Å; D669-W672 VanDerWaalsContact O-CB 3.28Å; D669-W672 WeakPolarHBondContact O-CB 3.31Å; D669-W672 PolarHBondContact O-N 2.87Å; D669-W672 WeakPolarHBondContact OD2-CZ2 3.31Å; P670-W672 PolarHBondContact O-N 3.3Å; W672-V676 WeakPolarHBondContact O-CG2 3.42Å |
| 673 | V | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -79 | -39.7 | -173.9 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | L608 L612 I615 I668 P670 E671 V676 A677 V705 I710 | L608-V673 HydrophobicContact CD1-CG2 4.19Å; L608-V673 HydrophobicContact CD2-CG2 4.37Å; L612-V673 HydrophobicContact CD2-CG1 3.93Å; I615-V673 HydrophobicContact CD1-CG1 4.03Å; I615-V673 HydrophobicContact CD1-CG2 4.42Å; I668-V673 HydrophobicContact CD1-CG2 4.12Å; P670-V673 WeakPolarHBondContact O-CB 3.35Å; P670-V673 PolarHBondContact O-N 3.48Å; E671-V673 VanDerWaalsContact C-N 3.27Å; E671-V673 PolarHBondContact O-N 3.48Å; V673-V676 VanDerWaalsContact O-CG2 3.25Å; V673-V676 WeakPolarHBondContact O-CG2 3.31Å; V673-V676 PolarHBondContact O-N 3.5Å; V673-A677 HydrophobicContact CG1-CB 4.18Å; V673-A677 WeakPolarHBondContact O-CB 3.27Å; V673-A677 PolarHBondContact O-N 3Å; V673-V705 HydrophobicContact CG1-CG1 3.91Å; V673-I710 HydrophobicContact CB-CD1 4.43Å; V673-I710 HydrophobicContact CB-CG2 4.03Å; V673-I710 HydrophobicContact CG1-CD1 4.31Å; V673-I710 HydrophobicContact CG1-CG2 4.01Å; V673-I710 HydrophobicContact CG2-CG2 4.5Å |
| 674 | E | 93.5 | Very high | 94.1 | Very high | 25 Ų | 25 | 51 Ų | 51 | 12% | 0.117 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.2 | -47.5 | -175.5 | 177.4 | 175.4 | -160.3 | 0 | 0 | 113.1 | V676 A677 Q678 I710 R714 | E674-V676 PolarHBondContact O-N 3.11Å; E674-A677 PolarHBondContact O-N 3.42Å; E674-Q678 VanDerWaalsContact CG-NE2 3.32Å; E674-Q678 PolarHBondContact O-N 2.99Å; E674-Q678 PolarHBondContact O-NE2 3.16Å; E674-I710 HydrophobicContact CB-CD1 3.8Å; E674-R714 IonicContact OE1-CZ 2.7Å; E674-R714 IonicContact OE1-NH1 3.49Å; E674-R714 PolarHBondContact OE1-NH1 3.45Å; E674-R714 IonicContact OE1-NH2 3.75Å; E674-R714 PolarHBondContact OE1-NH2 3.23Å; E674-R714 IonicContact OE2-CZ 2.63Å; E674-R714 IonicContact OE2-NH1 3.68Å; E674-R714 PolarHBondContact OE2-NH1 3.18Å; E674-R714 IonicContact OE2-NH2 3.03Å |
| 675 | P | 92.5 | Very high | 94 | Very high | 88 Ų | 88 | 52.4 Ų | 52.4 | 57% | 0.571 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64.6 | -38 | -179.4 | -24.1 | 35.2 | 0 | 0 | 0 | 113.8 | E671 | E671-P675 WeakPolarHBondContact O-CD 3.39Å |
| 676 | V | 91.8 | Very high | 93.8 | Very high | 18 Ų | 18 | 55 Ų | 55 | 11% | 0.109 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -83.9 | -14.9 | -177.6 | -65.1 | 0 | 0 | 0 | 0 | 113.4 | I605 L608 T609 L612 W672 V673 E674 | I605-V676 HydrophobicContact CG2-CG1 3.69Å; L608-V676 HydrophobicContact CB-CG2 4.26Å; T609-V676 HydrophobicContact CG2-CB 4.01Å; T609-V676 HydrophobicContact CG2-CG1 3.98Å; L612-V676 HydrophobicContact CD2-CG2 3.95Å; W672-V676 WeakPolarHBondContact O-CG2 3.42Å; V673-V676 VanDerWaalsContact O-CG2 3.25Å; V673-V676 WeakPolarHBondContact O-CG2 3.31Å; V673-V676 PolarHBondContact O-N 3.5Å; E674-V676 PolarHBondContact O-N 3.11Å |
| 677 | A | 92.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 15.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L612 V673 E674 H679 L680 I681 V705 | L612-A677 HydrophobicContact CD1-CB 3.8Å; L612-A677 HydrophobicContact CD2-CB 4Å; V673-A677 HydrophobicContact CG1-CB 4.18Å; V673-A677 WeakPolarHBondContact O-CB 3.27Å; V673-A677 PolarHBondContact O-N 3Å; E674-A677 PolarHBondContact O-N 3.42Å; A677-H679 PolarHBondContact O-N 3.41Å; A677-L680 CarbonylContact O-C 3.6Å; A677-L680 WeakPolarHBondContact O-CA 3.29Å; A677-L680 PolarHBondContact O-N 3.41Å; A677-I681 HydrophobicContact CB-CG2 4.26Å; A677-I681 WeakPolarHBondContact O-CG2 3.38Å; A677-I681 PolarHBondContact O-N 2.84Å; A677-V705 HydrophobicContact CB-CG2 4.04Å |
| 678 | Q | 90.9 | Very high | 93.2 | Very high | 89 Ų | 89 | 59.9 Ų | 59.9 | 42% | 0.416 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -33.5 | -175.4 | -75.7 | -64.6 | -52.7 | 0 | 0 | 114.3 | E674 L680 I681 R683 | E674-Q678 VanDerWaalsContact CG-NE2 3.32Å; E674-Q678 PolarHBondContact O-N 2.99Å; E674-Q678 PolarHBondContact O-NE2 3.16Å; Q678-L680 VanDerWaalsContact C-N 3.26Å; Q678-L680 PolarHBondContact O-N 3.02Å; Q678-I681 WeakPolarHBondContact O-CG1 3.37Å; Q678-R683 VanDerWaalsContact OE1-NH2 3.12Å |
| 679 | H | 88.6 | Confident | 92.9 | Very high | 110 Ų | 110 | 63.6 Ų | 63.6 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -6.4 | 177.7 | 60.5 | -59.6 | 0 | 0 | 0 | 114.2 | E452 A677 | E452-H679 PolarHBondContact O-NE2 3.32Å; A677-H679 PolarHBondContact O-N 3.41Å |
| 680 | L | 90.1 | Very high | 92.8 | Very high | 35 Ų | 35 | 62.9 Ų | 62.9 | 18% | 0.183 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | -11.1 | -174 | -63 | 167.4 | 0 | 0 | 0 | 113.6 | E452 L612 A677 Q678 V705 Y706 | E452-L680 HydrophobicContact CG-CD2 3.98Å; L612-L680 HydrophobicContact CD1-CD1 3.67Å; A677-L680 CarbonylContact O-C 3.6Å; A677-L680 WeakPolarHBondContact O-CA 3.29Å; A677-L680 PolarHBondContact O-N 3.41Å; Q678-L680 VanDerWaalsContact C-N 3.26Å; Q678-L680 PolarHBondContact O-N 3.02Å; L680-V705 HydrophobicContact CB-CG2 4.13Å; L680-Y706 HydrophobicContact CD1-CE2 4.39Å; L680-Y706 WeakPolarHBondContact CD1-OH 3.36Å |
| 681 | I | 93.3 | Very high | 92.7 | Very high | 23 Ų | 23 | 63.2 Ų | 63.2 | 12% | 0.118 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 147.5 | 179.4 | 58.6 | 173.9 | 0 | 0 | 0 | 111.7 | A677 Q678 V703 T704 V705 I710 | A677-I681 HydrophobicContact CB-CG2 4.26Å; A677-I681 WeakPolarHBondContact O-CG2 3.38Å; A677-I681 PolarHBondContact O-N 2.84Å; Q678-I681 WeakPolarHBondContact O-CG1 3.37Å; I681-V703 HydrophobicContact CB-CG1 3.71Å; I681-V703 HydrophobicContact CD1-CG1 3.98Å; I681-V703 HydrophobicContact CG1-CG1 4.39Å; I681-V703 HydrophobicContact CG2-CG1 3.78Å; I681-T704 CarbonylContact C-O 3.58Å; I681-T704 VanDerWaalsContact CA-O 3.3Å; I681-T704 WeakPolarHBondContact CA-O 3.35Å; I681-V705 HydrophobicContact CG2-CB 4.48Å; I681-I710 HydrophobicContact CG2-CD1 3.83Å |
| 682 | K | 93.6 | Very high | 92.5 | Very high | 154 Ų | 154 | 63.2 Ų | 63.2 | 67% | 0.67 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 127.4 | 167.2 | -64.1 | -175 | 177.5 | -172 | 0 | 108.7 | T704 | K682-T704 PolarHBondContact N-O 2.94Å; K682-T704 PolarHBondContact O-N 2.78Å; K682-T704 PolarHBondContact O-OG1 2.82Å |
| 683 | R | 93.8 | Very high | 92.1 | Very high | 118 Ų | 118 | 66.4 Ų | 66.4 | 45% | 0.445 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 135.8 | 176.8 | -64.7 | 173.5 | 174.5 | 129.1 | 3.7 | 109.2 | Q678 Y685 E701 V703 | Q678-R683 VanDerWaalsContact OE1-NH2 3.12Å; R683-Y685 HydrophobicContact CB-CE2 4.19Å; R683-Y685 WeakPolarHBondContact CD-OH 3.36Å; R683-E701 WeakPolarHBondContact CD-OE1 3.39Å; R683-E701 WeakPolarHBondContact CG-OE1 3.34Å; R683-E701 IonicContact NE-OE1 3.14Å; R683-V703 HydrophobicContact CG-CG2 4.39Å |
| 684 | T | 93.2 | Very high | 91.6 | Very high | 84 Ų | 84 | 72.5 Ų | 72.5 | 52% | 0.515 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 137.2 | 172.6 | -52.3 | 0 | 0 | 0 | 0 | 107.7 | K702 | T684-K702 PolarHBondContact N-O 3.41Å; T684-K702 PolarHBondContact O-N 3.05Å |
| 685 | Y | 93.2 | Very high | 91.4 | Very high | 69 Ų | 69 | 72.9 Ų | 72.9 | 27% | 0.271 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 141.7 | -177.5 | -55.1 | -79.5 | 0 | 0 | 0 | 109.7 | R683 T700 E701 V716 Y718 I721 | R683-Y685 HydrophobicContact CB-CE2 4.19Å; R683-Y685 WeakPolarHBondContact CD-OH 3.36Å; Y685-T700 CarbonylContact C-O 3.5Å; Y685-T700 WeakPolarHBondContact CA-O 3.1Å; Y685-E701 HydrophobicContact CD1-CB 3.82Å; Y685-E701 HydrophobicContact CD1-CG 3.96Å; Y685-E701 HydrophobicContact CE1-CB 3.77Å; Y685-E701 HydrophobicContact CE1-CG 3.53Å; Y685-E701 WeakPolarHBondContact CE1-OE1 3.22Å; Y685-E701 PolarHBondContact OH-OE1 3.45Å; Y685-E701 VanDerWaalsContact OH-OE1 3.06Å; Y685-V716 HydrophobicContact CD1-CG2 3.9Å; Y685-V716 HydrophobicContact CE1-CG2 3.91Å; Y685-Y718 HydrophobicContact CD1-CE2 4.35Å; Y685-Y718 HydrophobicContact CD2-CE2 4.31Å; Y685-Y718 HydrophobicContact CG-CD2 4.45Å; Y685-Y718 AromaticContact CG-CE2 3.83Å; Y685-Y718 HydrophobicContact CG-CE2 3.83Å; Y685-I721 HydrophobicContact CD1-CD1 3.74Å; Y685-I721 HydrophobicContact CD2-CD1 4.31Å; Y685-I721 HydrophobicContact CD2-CG2 3.73Å; Y685-I721 HydrophobicContact CE1-CD1 3.34Å; Y685-I721 HydrophobicContact CE1-CG1 4.39Å; Y685-I721 HydrophobicContact CE2-CD1 3.95Å; Y685-I721 HydrophobicContact CE2-CG1 4.2Å; Y685-I721 HydrophobicContact CE2-CG2 3.76Å; Y685-I721 HydrophobicContact CG-CD1 4.21Å; Y685-I721 HydrophobicContact CG-CG2 4.36Å; Y685-I721 VanDerWaalsContact CZ-CD1 3.46Å |
| 686 | S | 92.6 | Very high | 91.4 | Very high | 56 Ų | 56 | 69.3 Ų | 69.3 | 39% | 0.392 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 158.9 | 178 | 58.3 | 0 | 0 | 0 | 0 | 111 | T700 | S686-T700 PolarHBondContact N-O 2.99Å; S686-T700 PolarHBondContact O-N 3.49Å; S686-T700 PolarHBondContact OG-O 3.32Å |
| 687 | E | 91.2 | Very high | 91.4 | Very high | 136 Ų | 136 | 68.6 Ų | 68.6 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 55.1 | 52.3 | 175.5 | -56 | 171.7 | 166.4 | 0 | 0 | 114.2 | H689 | E687-H689 PolarHBondContact O-N 2.95Å; E687-H689 PolarHBondContact O-ND1 3.28Å |
| 688 | P | 92.6 | Very high | 91.5 | Very high | 45 Ų | 45 | 69.4 Ų | 69.4 | 29% | 0.292 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 120.3 | 170.1 | 28.8 | -32.9 | 0 | 0 | 0 | 109.1 | V697 M698 A699 Y718 L725 L729 | P688-V697 HydrophobicContact CB-CG1 4.16Å; P688-M698 WeakPolarHBondContact CA-O 3.28Å; P688-A699 HydrophobicContact CB-CB 4.47Å; P688-Y718 HydrophobicContact CB-CD1 3.71Å; P688-Y718 HydrophobicContact CB-CE1 3.76Å; P688-Y718 HydrophobicContact CB-CG 4.38Å; P688-Y718 HydrophobicContact CG-CE1 4.35Å; P688-L725 HydrophobicContact CB-CD2 3.92Å; P688-L725 HydrophobicContact CG-CD2 3.56Å; P688-L729 HydrophobicContact CB-CD1 4.3Å |
| 689 | H | 92.5 | Very high | 91.6 | Very high | 80 Ų | 80 | 65.1 Ų | 65.1 | 37% | 0.37 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 147.8 | -179.9 | 60.9 | -80.5 | 0 | 0 | 0 | 110.8 | E687 V697 M698 | E687-H689 PolarHBondContact O-N 2.95Å; E687-H689 PolarHBondContact O-ND1 3.28Å; H689-V697 CarbonylContact O-C 3.48Å; H689-V697 WeakPolarHBondContact O-CA 3.27Å; H689-M698 PolarHBondContact N-O 2.83Å; H689-M698 PolarHBondContact ND1-O 2.96Å; H689-M698 PolarHBondContact O-N 3.41Å |
| 690 | W | 93.8 | Very high | 91.9 | Very high | 21 Ų | 21 | 61.4 Ų | 61.4 | 8% | 0.08 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 133 | 170.7 | 176.7 | -105.9 | 0 | 0 | 0 | 110.2 | G695 V697 F730 H733 A734 D739 W740 | W690-G695 WeakPolarHBondContact CH2-O 3.46Å; W690-V697 HydrophobicContact CE3-CG2 3.92Å; W690-F730 HydrophobicContact CE3-CB 4.4Å; W690-F730 HydrophobicContact CE3-CD2 4.31Å; W690-F730 AromaticContact CH2-CD2 3.38Å; W690-F730 HydrophobicContact CH2-CD2 3.38Å; W690-F730 AromaticContact CH2-CE2 3.84Å; W690-F730 HydrophobicContact CH2-CE2 3.84Å; W690-F730 HydrophobicContact CZ2-CD2 4.16Å; W690-F730 HydrophobicContact CZ2-CE2 4.48Å; W690-F730 HydrophobicContact CZ3-CB 4.12Å; W690-F730 AromaticContact CZ3-CD2 3.47Å; W690-F730 HydrophobicContact CZ3-CD2 3.47Å; W690-F730 VanDerWaalsContact CZ3-CD2 3.47Å; W690-F730 HydrophobicContact CZ3-CE2 4.36Å; W690-F730 HydrophobicContact CZ3-CG 4.27Å; W690-H733 HydrophobicContact CB-CB 3.53Å; W690-H733 VanDerWaalsContact CD1-CB 3.44Å; W690-H733 HydrophobicContact CD2-CB 4.45Å; W690-H733 HydrophobicContact CG-CB 3.52Å; W690-A734 HydrophobicContact CD2-CB 4.18Å; W690-A734 HydrophobicContact CH2-CB 3.78Å; W690-A734 HydrophobicContact CZ2-CB 3.32Å; W690-A734 HydrophobicContact CZ3-CB 4.36Å; W690-D739 PolarHBondContact NE1-O 3.36Å; W690-W740 AromaticContact CZ2-CD1 3.78Å; W690-W740 HydrophobicContact CZ2-CG 4.35Å |
| 691 | E | 92.1 | Very high | 92.1 | Very high | 39 Ų | 39 | 60.1 Ų | 60.1 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 106.1 | 174 | -175.2 | 176.3 | 168.8 | 0 | 0 | 111.1 | A693 Q694 G695 A696 M698 K715 | E691-A693 HydrophobicContact CG-CB 4.34Å; E691-A693 PolarHBondContact O-N 3.37Å; E691-A693 VanDerWaalsContact O-N 3.1Å; E691-Q694 PolarHBondContact O-N 3.07Å; E691-Q694 VanDerWaalsContact O-N 3.11Å; E691-G695 PolarHBondContact O-N 3.13Å; E691-A696 PolarHBondContact N-O 3.3Å; E691-M698 HydrophobicContact CB-CG 3.9Å; E691-M698 WeakPolarHBondContact OE2-CG 3.47Å; E691-K715 IonicContact OE1-NZ 2.85Å; E691-K715 PolarHBondContact OE1-NZ 2.99Å; E691-K715 WeakPolarHBondContact OE2-CE 3.48Å; E691-K715 IonicContact OE2-NZ 2.85Å; E691-K715 PolarHBondContact OE2-NZ 2.99Å |
| 692 | R | 89.7 | Confident | 92.2 | Very high | 123 Ų | 123 | 63.6 Ų | 63.6 | 46% | 0.464 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | -43.3 | 178.1 | -167.5 | -161.9 | -171.8 | 122.4 | -5.3 | 114 | Q694 G695 D739 | R692-Q694 PolarHBondContact O-N 2.84Å; R692-G695 PolarHBondContact O-N 2.85Å; R692-D739 WeakPolarHBondContact CB-OD1 3.49Å; R692-D739 WeakPolarHBondContact CD-OD1 3.18Å; R692-D739 WeakPolarHBondContact CG-O 3.31Å; R692-D739 VanDerWaalsContact CG-OD1 3.31Å; R692-D739 WeakPolarHBondContact CG-OD1 3.34Å; R692-D739 IonicContact CZ-OD1 3.27Å; R692-D739 IonicContact NE-OD1 3.91Å; R692-D739 IonicContact NH1-OD1 2.75Å; R692-D739 PolarHBondContact NH1-OD1 3.14Å |
| 693 | A | 87.1 | Confident | 92.3 | Very high | 82 Ų | 82 | 56.2 Ų | 56.2 | 68% | 0.678 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -35 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E691 | E691-A693 HydrophobicContact CG-CB 4.34Å; E691-A693 PolarHBondContact O-N 3.37Å; E691-A693 VanDerWaalsContact O-N 3.1Å |
| 694 | Q | 85.9 | Confident | 92.3 | Very high | 127 Ų | 127 | 51.7 Ų | 51.7 | 59% | 0.593 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -19.9 | 174.7 | -66.1 | -61.8 | -37.2 | 0 | 0 | 112 | E691 R692 A696 M698 | E691-Q694 PolarHBondContact O-N 3.07Å; E691-Q694 VanDerWaalsContact O-N 3.11Å; R692-Q694 PolarHBondContact O-N 2.84Å; Q694-A696 HydrophobicContact CB-CB 4.49Å; Q694-A696 PolarHBondContact O-N 3.32Å; Q694-M698 HydrophobicContact CB-CG 4.46Å; Q694-M698 HydrophobicContact CB-SD 4.29Å; Q694-M698 HydrophobicContact CG-CG 4.45Å; Q694-M698 HydrophobicContact CG-SD 4.33Å |
| 695 | G | 89.1 | Confident | 92.4 | Very high | 34 Ų | 34 | 47.7 Ų | 47.7 | 35% | 0.351 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 32.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | W690 E691 R692 | W690-G695 WeakPolarHBondContact CH2-O 3.46Å; E691-G695 PolarHBondContact O-N 3.13Å; R692-G695 PolarHBondContact O-N 2.85Å |
| 696 | A | 91.2 | Very high | 92.2 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 11% | 0.107 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 163.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | E691 Q694 M698 | E691-A696 PolarHBondContact N-O 3.3Å; Q694-A696 HydrophobicContact CB-CB 4.49Å; Q694-A696 PolarHBondContact O-N 3.32Å; A696-M698 HydrophobicContact CB-SD 4.41Å |
| 697 | V | 92.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 124.8 | 170.9 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | P688 H689 W690 Y718 C726 L729 | P688-V697 HydrophobicContact CB-CG1 4.16Å; H689-V697 CarbonylContact O-C 3.48Å; H689-V697 WeakPolarHBondContact O-CA 3.27Å; W690-V697 HydrophobicContact CE3-CG2 3.92Å; V697-Y718 HydrophobicContact CG1-CD1 4.18Å; V697-Y718 WeakPolarHBondContact O-CB 3.48Å; V697-Y718 PolarHBondContact O-N 3.22Å; V697-C726 HydrophobicContact CB-CB 4.12Å; V697-C726 HydrophobicContact CG2-CB 4.08Å; V697-L729 HydrophobicContact CG1-CD1 3.64Å; V697-L729 HydrophobicContact CG2-CB 3.69Å; V697-L729 HydrophobicContact CG2-CD1 4.09Å |
| 698 | M | 94.2 | Very high | 92.2 | Very high | 17 Ų | 17 | 39.4 Ų | 39.4 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 147 | -179.6 | -57.4 | -56.9 | -68.3 | 0 | 0 | 109.2 | P688 H689 E691 Q694 A696 K715 V716 N717 | P688-M698 WeakPolarHBondContact CA-O 3.28Å; H689-M698 PolarHBondContact N-O 2.83Å; H689-M698 PolarHBondContact ND1-O 2.96Å; H689-M698 PolarHBondContact O-N 3.41Å; E691-M698 HydrophobicContact CB-CG 3.9Å; E691-M698 WeakPolarHBondContact OE2-CG 3.47Å; Q694-M698 HydrophobicContact CB-CG 4.46Å; Q694-M698 HydrophobicContact CB-SD 4.29Å; Q694-M698 HydrophobicContact CG-CG 4.45Å; Q694-M698 HydrophobicContact CG-SD 4.33Å; A696-M698 HydrophobicContact CB-SD 4.41Å; M698-K715 HydrophobicContact CB-CG 4.49Å; M698-K715 HydrophobicContact CE-CD 4.38Å; M698-K715 HydrophobicContact CE-CG 3.88Å; M698-V716 WeakPolarHBondContact CA-O 3.24Å; M698-V716 WeakPolarHBondContact CE-O 3.44Å; M698-N717 HydrophobicContact CE-CB 4.41Å; M698-N717 HydrophobicContact SD-CB 4.18Å |
| 699 | A | 93.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 162.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | P688 K715 V716 Y718 | P688-A699 HydrophobicContact CB-CB 4.47Å; A699-K715 WeakPolarHBondContact O-CA 3.5Å; A699-V716 HydrophobicContact CB-CG2 4.48Å; A699-V716 PolarHBondContact N-O 3.22Å; A699-V716 PolarHBondContact O-N 2.91Å; A699-Y718 HydrophobicContact CB-CD2 3.44Å; A699-Y718 VanDerWaalsContact CB-CD2 3.44Å; A699-Y718 HydrophobicContact CB-CE2 4.07Å; A699-Y718 HydrophobicContact CB-CG 3.77Å |
| 700 | T | 94.5 | Very high | 92.4 | Very high | 31 Ų | 31 | 35.6 Ų | 35.6 | 19% | 0.19 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 119.2 | 171.7 | -61.6 | 0 | 0 | 0 | 0 | 109.3 | Y685 S686 A713 | Y685-T700 CarbonylContact C-O 3.5Å; Y685-T700 WeakPolarHBondContact CA-O 3.1Å; S686-T700 PolarHBondContact N-O 2.99Å; S686-T700 PolarHBondContact O-N 3.49Å; S686-T700 PolarHBondContact OG-O 3.32Å; T700-A713 HydrophobicContact CG2-CB 3.49Å; T700-A713 VanDerWaalsContact CG2-CB 3.49Å |
| 701 | E | 94.5 | Very high | 92.3 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 132.6 | 174.2 | -177.1 | -177.4 | -131.1 | 0 | 0 | 111 | R683 Y685 V703 A713 R714 V716 | R683-E701 WeakPolarHBondContact CD-OE1 3.39Å; R683-E701 WeakPolarHBondContact CG-OE1 3.34Å; R683-E701 IonicContact NE-OE1 3.14Å; Y685-E701 HydrophobicContact CD1-CB 3.82Å; Y685-E701 HydrophobicContact CD1-CG 3.96Å; Y685-E701 HydrophobicContact CE1-CB 3.77Å; Y685-E701 HydrophobicContact CE1-CG 3.53Å; Y685-E701 WeakPolarHBondContact CE1-OE1 3.22Å; Y685-E701 PolarHBondContact OH-OE1 3.45Å; Y685-E701 VanDerWaalsContact OH-OE1 3.06Å; E701-V703 HydrophobicContact CG-CG2 4.01Å; E701-A713 CarbonylContact O-C 3.39Å; E701-A713 WeakPolarHBondContact O-CA 3.29Å; E701-R714 WeakPolarHBondContact CB-O 3.16Å; E701-R714 PolarHBondContact N-O 3.15Å; E701-R714 PolarHBondContact O-N 3.26Å; E701-R714 IonicContact OE2-CZ 2.75Å; E701-R714 IonicContact OE2-NE 2.77Å; E701-R714 PolarHBondContact OE2-NE 3.2Å; E701-R714 IonicContact OE2-NH2 3.34Å; E701-R714 PolarHBondContact OE2-NH2 3.45Å; E701-V716 HydrophobicContact CB-CG1 3.79Å; E701-V716 HydrophobicContact CB-CG2 3.86Å |
| 702 | K | 94.7 | Very high | 92.1 | Very high | 96 Ų | 96 | 37.5 Ų | 37.5 | 42% | 0.417 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 127.9 | 166.8 | -176.5 | 178.2 | -179.3 | 177.3 | 0 | 109.1 | T684 T704 V711 | T684-K702 PolarHBondContact N-O 3.41Å; T684-K702 PolarHBondContact O-N 3.05Å; K702-T704 HydrophobicContact CD-CG2 4.47Å; K702-T704 HydrophobicContact CG-CG2 4.23Å; K702-V711 WeakPolarHBondContact CA-O 3.22Å |
| 703 | V | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 125.6 | 176.8 | -170.2 | 0 | 0 | 0 | 0 | 109 | I681 R683 E701 I710 V711 | I681-V703 HydrophobicContact CB-CG1 3.71Å; I681-V703 HydrophobicContact CD1-CG1 3.98Å; I681-V703 HydrophobicContact CG1-CG1 4.39Å; I681-V703 HydrophobicContact CG2-CG1 3.78Å; R683-V703 HydrophobicContact CG-CG2 4.39Å; E701-V703 HydrophobicContact CG-CG2 4.01Å; V703-I710 HydrophobicContact CB-CG1 4.19Å; V703-I710 HydrophobicContact CG1-CD1 4Å; V703-I710 HydrophobicContact CG1-CG1 4.02Å; V703-I710 WeakPolarHBondContact O-CG1 3.47Å; V703-I710 PolarHBondContact O-N 2.81Å; V703-V711 HydrophobicContact CB-CB 3.79Å; V703-V711 HydrophobicContact CB-CG2 4Å; V703-V711 HydrophobicContact CG2-CB 3.91Å; V703-V711 HydrophobicContact CG2-CG1 4.5Å; V703-V711 HydrophobicContact CG2-CG2 4.1Å; V703-V711 PolarHBondContact N-O 3.02Å; V703-V711 PolarHBondContact O-N 2.81Å; V703-V711 VanDerWaalsContact O-N 3.14Å |
| 704 | T | 95.2 | Very high | 92.4 | Very high | 22 Ų | 22 | 35.3 Ų | 35.3 | 14% | 0.135 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 146.8 | 178.1 | 66.4 | 0 | 0 | 0 | 0 | 111.5 | I681 K682 K702 L708 | I681-T704 CarbonylContact C-O 3.58Å; I681-T704 VanDerWaalsContact CA-O 3.3Å; I681-T704 WeakPolarHBondContact CA-O 3.35Å; K682-T704 PolarHBondContact N-O 2.94Å; K682-T704 PolarHBondContact O-N 2.78Å; K682-T704 PolarHBondContact O-OG1 2.82Å; K702-T704 HydrophobicContact CD-CG2 4.47Å; K702-T704 HydrophobicContact CG-CG2 4.23Å; T704-L708 CarbonylContact C-O 3.36Å; T704-L708 WeakPolarHBondContact CA-O 3.48Å; T704-L708 WeakPolarHBondContact CB-O 3.39Å |
| 705 | V | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124.6 | 167.6 | 69.7 | 0 | 0 | 0 | 0 | 108 | I615 V673 A677 L680 I681 G707 L708 I710 | I615-V705 HydrophobicContact CD1-CG1 3.75Å; V673-V705 HydrophobicContact CG1-CG1 3.91Å; A677-V705 HydrophobicContact CB-CG2 4.04Å; L680-V705 HydrophobicContact CB-CG2 4.13Å; I681-V705 HydrophobicContact CG2-CB 4.48Å; V705-G707 PolarHBondContact O-N 2.85Å; V705-L708 PolarHBondContact N-O 2.86Å; V705-L708 WeakPolarHBondContact O-CB 3.48Å; V705-L708 PolarHBondContact O-N 3.12Å; V705-I710 HydrophobicContact CB-CD1 4.4Å; V705-I710 HydrophobicContact CG1-CD1 4.39Å; V705-I710 HydrophobicContact CG1-CG2 3.73Å |
| 706 | Y | 90.1 | Very high | 92.9 | Very high | 38 Ų | 38 | 34.2 Ų | 34.2 | 15% | 0.149 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 31.5 | -174.3 | -54.8 | -56.2 | 0 | 0 | 0 | 114.9 | E452 L612 A628 R629 L680 L708 | E452-Y706 VanDerWaalsContact CG-OH 3.26Å; E452-Y706 WeakPolarHBondContact CG-OH 3.05Å; E452-Y706 PolarHBondContact OE1-OH 2.93Å; E452-Y706 PolarHBondContact OE2-OH 2.82Å; E452-Y706 VanDerWaalsContact OE2-OH 3.13Å; L612-Y706 HydrophobicContact CB-CE2 4.17Å; A628-Y706 HydrophobicContact CB-CD2 3.9Å; A628-Y706 HydrophobicContact CB-CG 3.97Å; R629-Y706 WeakPolarHBondContact CA-O 3.37Å; R629-Y706 PolarHBondContact N-O 3Å; L680-Y706 HydrophobicContact CD1-CE2 4.39Å; L680-Y706 WeakPolarHBondContact CD1-OH 3.36Å; Y706-L708 VanDerWaalsContact C-N 3.34Å |
| 707 | G | 90.3 | Very high | 93 | Very high | 48 Ų | 48 | 37.7 Ų | 37.7 | 50% | 0.495 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -7.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | V705 | V705-G707 PolarHBondContact O-N 2.85Š|
| 708 | L | 93.7 | Very high | 93 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 129.7 | 175.7 | -63.8 | 175.8 | 0 | 0 | 0 | 111.2 | I615 M617 T626 W648 T704 V705 Y706 I710 | I615-L708 HydrophobicContact CD1-CD1 3.99Å; I615-L708 HydrophobicContact CG1-CD1 3.58Å; M617-L708 HydrophobicContact CB-CD2 4.48Å; T626-L708 HydrophobicContact CG2-CD2 3.79Å; T626-L708 WeakPolarHBondContact O-CD2 3.22Å; W648-L708 HydrophobicContact CH2-CB 4.08Å; W648-L708 HydrophobicContact CZ3-CB 4.29Å; W648-L708 HydrophobicContact CZ3-CD1 4.33Å; T704-L708 CarbonylContact C-O 3.36Å; T704-L708 WeakPolarHBondContact CA-O 3.48Å; T704-L708 WeakPolarHBondContact CB-O 3.39Å; V705-L708 PolarHBondContact N-O 2.86Å; V705-L708 WeakPolarHBondContact O-CB 3.48Å; V705-L708 PolarHBondContact O-N 3.12Å; Y706-L708 VanDerWaalsContact C-N 3.34Å; L708-I710 PolarHBondContact O-N 2.76Å; L708-I710 VanDerWaalsContact O-N 3.17Å |
| 709 | P | 93.4 | Very high | 92.7 | Very high | 36 Ų | 36 | 40.1 Ų | 40.1 | 23% | 0.234 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 96 | -179 | 32.5 | -33.5 | 0 | 0 | 0 | 111.2 | M617 W648 | M617-P709 HydrophobicContact CE-CG 4.4Å; M617-P709 HydrophobicContact SD-CG 4.1Å; W648-P709 VanDerWaalsContact CZ2-O 3.31Å; W648-P709 WeakPolarHBondContact CZ2-O 3.26Å |
| 710 | I | 93.9 | Very high | 92.3 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -27.8 | 176.1 | 57.4 | 175.2 | 0 | 0 | 0 | 111.9 | W648 P670 V673 E674 I681 V703 V705 L708 | W648-I710 HydrophobicContact CH2-CG2 4.08Å; W648-I710 HydrophobicContact CZ3-CG2 4.3Å; P670-I710 HydrophobicContact CB-CB 4.34Å; V673-I710 HydrophobicContact CB-CD1 4.43Å; V673-I710 HydrophobicContact CB-CG2 4.03Å; V673-I710 HydrophobicContact CG1-CD1 4.31Å; V673-I710 HydrophobicContact CG1-CG2 4.01Å; V673-I710 HydrophobicContact CG2-CG2 4.5Å; E674-I710 HydrophobicContact CB-CD1 3.8Å; I681-I710 HydrophobicContact CG2-CD1 3.83Å; V703-I710 HydrophobicContact CB-CG1 4.19Å; V703-I710 HydrophobicContact CG1-CD1 4Å; V703-I710 HydrophobicContact CG1-CG1 4.02Å; V703-I710 WeakPolarHBondContact O-CG1 3.47Å; V703-I710 PolarHBondContact O-N 2.81Å; V705-I710 HydrophobicContact CB-CD1 4.4Å; V705-I710 HydrophobicContact CG1-CD1 4.39Å; V705-I710 HydrophobicContact CG1-CG2 3.73Å; L708-I710 PolarHBondContact O-N 2.76Å; L708-I710 VanDerWaalsContact O-N 3.17Å |
| 711 | V | 93.4 | Very high | 92 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 13% | 0.133 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 112.4 | 167.3 | -178.7 | 0 | 0 | 0 | 0 | 107.1 | K702 V703 R714 | K702-V711 WeakPolarHBondContact CA-O 3.22Å; V703-V711 HydrophobicContact CB-CB 3.79Å; V703-V711 HydrophobicContact CB-CG2 4Å; V703-V711 HydrophobicContact CG2-CB 3.91Å; V703-V711 HydrophobicContact CG2-CG1 4.5Å; V703-V711 HydrophobicContact CG2-CG2 4.1Å; V703-V711 PolarHBondContact N-O 3.02Å; V703-V711 PolarHBondContact O-N 2.81Å; V703-V711 VanDerWaalsContact O-N 3.14Å; V711-R714 HydrophobicContact CG1-CB 3.56Å |
| 712 | A | 88.1 | Confident | 91.8 | Very high | 77 Ų | 77 | 52.7 Ų | 52.7 | 64% | 0.636 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -47.1 | -177 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 713 | A | 89.9 | Confident | 91.6 | Very high | 72 Ų | 72 | 52.1 Ų | 52.1 | 60% | 0.595 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 115.9 | 179 | 0 | 0 | 0 | 0 | 0 | 109.2 | T700 E701 | T700-A713 HydrophobicContact CG2-CB 3.49Å; T700-A713 VanDerWaalsContact CG2-CB 3.49Å; E701-A713 CarbonylContact O-C 3.39Å; E701-A713 WeakPolarHBondContact O-CA 3.29Å |
| 714 | R | 92.8 | Very high | 91.3 | Very high | 88 Ų | 88 | 55.5 Ų | 55.5 | 33% | 0.332 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 126.4 | 172.7 | 171.2 | 170.3 | 66.2 | -158.8 | 1.9 | 108.8 | E674 E701 V711 V716 | E674-R714 IonicContact OE1-CZ 2.7Å; E674-R714 IonicContact OE1-NH1 3.49Å; E674-R714 PolarHBondContact OE1-NH1 3.45Å; E674-R714 IonicContact OE1-NH2 3.75Å; E674-R714 PolarHBondContact OE1-NH2 3.23Å; E674-R714 IonicContact OE2-CZ 2.63Å; E674-R714 IonicContact OE2-NH1 3.68Å; E674-R714 PolarHBondContact OE2-NH1 3.18Å; E674-R714 IonicContact OE2-NH2 3.03Å; E701-R714 WeakPolarHBondContact CB-O 3.16Å; E701-R714 PolarHBondContact N-O 3.15Å; E701-R714 PolarHBondContact O-N 3.26Å; E701-R714 IonicContact OE2-CZ 2.75Å; E701-R714 IonicContact OE2-NE 2.77Å; E701-R714 PolarHBondContact OE2-NE 3.2Å; E701-R714 IonicContact OE2-NH2 3.34Å; E701-R714 PolarHBondContact OE2-NH2 3.45Å; V711-R714 HydrophobicContact CG1-CB 3.56Å; R714-V716 HydrophobicContact CG-CG1 4.17Å; R714-V716 PolarHBondContact O-N 3.32Å |
| 715 | K | 92.4 | Very high | 91.1 | Very high | 112 Ų | 112 | 56.8 Ų | 56.8 | 49% | 0.487 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 129.1 | 175.9 | -172 | 175.4 | -177.7 | 175.6 | 0 | 110.2 | E691 M698 A699 | E691-K715 IonicContact OE1-NZ 2.85Å; E691-K715 PolarHBondContact OE1-NZ 2.99Å; E691-K715 WeakPolarHBondContact OE2-CE 3.48Å; E691-K715 IonicContact OE2-NZ 2.85Å; E691-K715 PolarHBondContact OE2-NZ 2.99Å; M698-K715 HydrophobicContact CB-CG 4.49Å; M698-K715 HydrophobicContact CE-CD 4.38Å; M698-K715 HydrophobicContact CE-CG 3.88Å; A699-K715 WeakPolarHBondContact O-CA 3.5Å |
| 716 | V | 92.9 | Very high | 91 | Very high | 26 Ų | 26 | 57.1 Ų | 57.1 | 16% | 0.158 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 151.6 | -179.2 | -63.3 | 0 | 0 | 0 | 0 | 111.2 | Y685 M698 A699 E701 R714 Y718 I721 | Y685-V716 HydrophobicContact CD1-CG2 3.9Å; Y685-V716 HydrophobicContact CE1-CG2 3.91Å; M698-V716 WeakPolarHBondContact CA-O 3.24Å; M698-V716 WeakPolarHBondContact CE-O 3.44Å; A699-V716 HydrophobicContact CB-CG2 4.48Å; A699-V716 PolarHBondContact N-O 3.22Å; A699-V716 PolarHBondContact O-N 2.91Å; E701-V716 HydrophobicContact CB-CG1 3.79Å; E701-V716 HydrophobicContact CB-CG2 3.86Å; R714-V716 HydrophobicContact CG-CG1 4.17Å; R714-V716 PolarHBondContact O-N 3.32Å; V716-Y718 PolarHBondContact O-N 3Å; V716-I721 HydrophobicContact CG2-CD1 4.34Å |
| 717 | N | 92.4 | Very high | 91 | Very high | 85 Ų | 85 | 57.2 Ų | 57.2 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 125.3 | 170.2 | -176.8 | -42.3 | 0 | 0 | 0 | 109 | M698 S719 | M698-N717 HydrophobicContact CE-CB 4.41Å; M698-N717 HydrophobicContact SD-CB 4.18Å; N717-S719 WeakPolarHBondContact OD1-CB 3.12Å; N717-S719 PolarHBondContact OD1-N 3.06Å; N717-S719 PolarHBondContact OD1-OG 3.35Å; N717-S719 VanDerWaalsContact OD1-OG 3.04Å |
| 718 | Y | 92.9 | Very high | 91.2 | Very high | 28 Ų | 28 | 59 Ų | 59 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | trans | -90 | -9 | -171.9 | -157.1 | -121.5 | 0 | 0 | 0 | 114 | Y685 P688 V697 A699 V716 Q720 I721 D722 L725 C726 | Y685-Y718 HydrophobicContact CD1-CE2 4.35Å; Y685-Y718 HydrophobicContact CD2-CE2 4.31Å; Y685-Y718 HydrophobicContact CG-CD2 4.45Å; Y685-Y718 AromaticContact CG-CE2 3.83Å; Y685-Y718 HydrophobicContact CG-CE2 3.83Å; P688-Y718 HydrophobicContact CB-CD1 3.71Å; P688-Y718 HydrophobicContact CB-CE1 3.76Å; P688-Y718 HydrophobicContact CB-CG 4.38Å; P688-Y718 HydrophobicContact CG-CE1 4.35Å; V697-Y718 HydrophobicContact CG1-CD1 4.18Å; V697-Y718 WeakPolarHBondContact O-CB 3.48Å; V697-Y718 PolarHBondContact O-N 3.22Å; A699-Y718 HydrophobicContact CB-CD2 3.44Å; A699-Y718 VanDerWaalsContact CB-CD2 3.44Å; A699-Y718 HydrophobicContact CB-CE2 4.07Å; A699-Y718 HydrophobicContact CB-CG 3.77Å; V716-Y718 PolarHBondContact O-N 3Å; Y718-Q720 VanDerWaalsContact C-N 3.28Å; Y718-Q720 PolarHBondContact O-N 3.24Å; Y718-Q720 VanDerWaalsContact O-N 3.17Å; Y718-I721 HydrophobicContact CD2-CB 3.85Å; Y718-I721 HydrophobicContact CD2-CD1 3.68Å; Y718-I721 HydrophobicContact CD2-CG1 4.38Å; Y718-I721 HydrophobicContact CD2-CG2 4.09Å; Y718-I721 HydrophobicContact CE2-CB 3.76Å; Y718-I721 HydrophobicContact CE2-CD1 4.07Å; Y718-I721 HydrophobicContact CE2-CG2 3.47Å; Y718-I721 VanDerWaalsContact CE2-CG2 3.47Å; Y718-I721 PolarHBondContact O-N 2.91Å; Y718-D722 HydrophobicContact CD1-CB 4.27Å; Y718-D722 HydrophobicContact CE1-CB 3.55Å; Y718-D722 PolarHBondContact O-N 3.11Å; Y718-L725 HydrophobicContact CE1-CD2 3.95Å; Y718-C726 PolarHBondContact O-SG 2.64Å; Y718-C726 VanDerWaalsContact O-SG 3.35Å | ||
| 719 | S | 87.2 | Confident | 91.1 | Very high | 43 Ų | 43 | 60 Ų | 60 | 30% | 0.301 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -33.4 | -172.9 | -61.6 | 0 | 0 | 0 | 0 | 114.5 | N717 P723 C726 | N717-S719 WeakPolarHBondContact OD1-CB 3.12Å; N717-S719 PolarHBondContact OD1-N 3.06Å; N717-S719 PolarHBondContact OD1-OG 3.35Å; N717-S719 VanDerWaalsContact OD1-OG 3.04Å; S719-P723 WeakPolarHBondContact O-CG 3.38Å; S719-C726 VanDerWaalsContact CA-SG 3.54Å |
| 720 | Q | 85.6 | Confident | 91.2 | Very high | 178 Ų | 178 | 60.4 Ų | 60.4 | 83% | 0.832 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -9 | -179.9 | -65.2 | -64.7 | -34.1 | 0 | 0 | 113.4 | Y718 | Y718-Q720 VanDerWaalsContact C-N 3.28Å; Y718-Q720 PolarHBondContact O-N 3.24Å; Y718-Q720 VanDerWaalsContact O-N 3.17Å |
| 721 | I | 88 | Confident | 91.2 | Very high | 67 Ų | 67 | 59.9 Ų | 59.9 | 34% | 0.344 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -48.7 | -173.9 | -62.8 | 156 | 0 | 0 | 0 | 109.8 | Y685 V716 Y718 | Y685-I721 HydrophobicContact CD1-CD1 3.74Å; Y685-I721 HydrophobicContact CD2-CD1 4.31Å; Y685-I721 HydrophobicContact CD2-CG2 3.73Å; Y685-I721 HydrophobicContact CE1-CD1 3.34Å; Y685-I721 HydrophobicContact CE1-CG1 4.39Å; Y685-I721 HydrophobicContact CE2-CD1 3.95Å; Y685-I721 HydrophobicContact CE2-CG1 4.2Å; Y685-I721 HydrophobicContact CE2-CG2 3.76Å; Y685-I721 HydrophobicContact CG-CD1 4.21Å; Y685-I721 HydrophobicContact CG-CG2 4.36Å; Y685-I721 VanDerWaalsContact CZ-CD1 3.46Å; V716-I721 HydrophobicContact CG2-CD1 4.34Å; Y718-I721 HydrophobicContact CD2-CB 3.85Å; Y718-I721 HydrophobicContact CD2-CD1 3.68Å; Y718-I721 HydrophobicContact CD2-CG1 4.38Å; Y718-I721 HydrophobicContact CD2-CG2 4.09Å; Y718-I721 HydrophobicContact CE2-CB 3.76Å; Y718-I721 HydrophobicContact CE2-CD1 4.07Å; Y718-I721 HydrophobicContact CE2-CG2 3.47Å; Y718-I721 VanDerWaalsContact CE2-CG2 3.47Å; Y718-I721 PolarHBondContact O-N 2.91Å |
| 722 | D | 90.9 | Very high | 91.2 | Very high | 57 Ų | 57 | 62.1 Ų | 62.1 | 31% | 0.305 | 34% | 0.339 | S | S | . | . | trans | -137.3 | 83.4 | 173.5 | -169 | -20 | 0 | 0 | 0 | 110.1 | Y718 A724 L725 C726 | Y718-D722 HydrophobicContact CD1-CB 4.27Å; Y718-D722 HydrophobicContact CE1-CB 3.55Å; Y718-D722 PolarHBondContact O-N 3.11Å; D722-A724 PolarHBondContact O-N 2.86Å; D722-A724 PolarHBondContact OD1-N 2.79Å; D722-L725 HydrophobicContact CB-CB 4.16Å; D722-L725 VanDerWaalsContact CG-CB 3.48Å; D722-L725 PolarHBondContact O-N 3.19Å; D722-L725 PolarHBondContact OD1-N 3.37Å; D722-L725 WeakPolarHBondContact OD2-CB 3.35Å; D722-C726 WeakPolarHBondContact O-CB 3.26Å; D722-C726 PolarHBondContact O-N 2.89Å; D722-C726 PolarHBondContact O-SG 3.34Å | ||
| 723 | P | 89.8 | Confident | 91.4 | Very high | 84 Ų | 84 | 60.7 Ų | 60.7 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.8 | -34.5 | 179.8 | -22.9 | 31.4 | 0 | 0 | 0 | 113.1 | S719 C726 R727 | S719-P723 WeakPolarHBondContact O-CG 3.38Å; P723-C726 PolarHBondContact O-N 2.79Å; P723-R727 WeakPolarHBondContact O-CB 3.36Å; P723-R727 PolarHBondContact O-N 3.37Å |
| 724 | A | 90.1 | Very high | 91.5 | Very high | 72 Ų | 72 | 57.3 Ų | 57.3 | 60% | 0.595 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -68.4 | -50 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D722 C726 R727 E728 | D722-A724 PolarHBondContact O-N 2.86Å; D722-A724 PolarHBondContact OD1-N 2.79Å; A724-C726 VanDerWaalsContact C-N 3.28Å; A724-C726 PolarHBondContact O-N 3.27Å; A724-R727 WeakPolarHBondContact O-CB 3.37Å; A724-R727 PolarHBondContact O-N 2.87Å; A724-E728 PolarHBondContact O-N 3.41Å; A724-E728 VanDerWaalsContact O-N 3.09Å |
| 725 | L | 91.4 | Very high | 91.5 | Very high | 48 Ų | 48 | 53.3 Ų | 53.3 | 25% | 0.251 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 175 | -176.1 | 63.4 | 0 | 0 | 0 | 111.4 | P688 Y718 D722 R727 E728 L729 | P688-L725 HydrophobicContact CB-CD2 3.92Å; P688-L725 HydrophobicContact CG-CD2 3.56Å; Y718-L725 HydrophobicContact CE1-CD2 3.95Å; D722-L725 HydrophobicContact CB-CB 4.16Å; D722-L725 VanDerWaalsContact CG-CB 3.48Å; D722-L725 PolarHBondContact O-N 3.19Å; D722-L725 PolarHBondContact OD1-N 3.37Å; D722-L725 WeakPolarHBondContact OD2-CB 3.35Å; L725-R727 VanDerWaalsContact C-N 3.29Å; L725-R727 PolarHBondContact O-N 3.45Å; L725-E728 PolarHBondContact O-N 3.37Å; L725-L729 HydrophobicContact CD1-CG 4.44Å; L725-L729 HydrophobicContact CG-CD1 4.17Å; L725-L729 WeakPolarHBondContact O-CG 3.43Å; L725-L729 PolarHBondContact O-N 3.35Å |
| 726 | C | 91.7 | Very high | 91.5 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 5% | 0.054 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.2 | -39 | 178.2 | -68.9 | 0 | 0 | 0 | 0 | 112.5 | V697 Y718 S719 D722 P723 A724 F730 | V697-C726 HydrophobicContact CB-CB 4.12Å; V697-C726 HydrophobicContact CG2-CB 4.08Å; Y718-C726 PolarHBondContact O-SG 2.64Å; Y718-C726 VanDerWaalsContact O-SG 3.35Å; S719-C726 VanDerWaalsContact CA-SG 3.54Å; D722-C726 WeakPolarHBondContact O-CB 3.26Å; D722-C726 PolarHBondContact O-N 2.89Å; D722-C726 PolarHBondContact O-SG 3.34Å; P723-C726 PolarHBondContact O-N 2.79Å; A724-C726 VanDerWaalsContact C-N 3.28Å; A724-C726 PolarHBondContact O-N 3.27Å; C726-F730 WeakPolarHBondContact O-CB 3.49Å; C726-F730 PolarHBondContact O-N 3.06Å |
| 727 | R | 91.3 | Very high | 91.4 | Very high | 40 Ų | 40 | 52 Ų | 52 | 15% | 0.151 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 176.7 | -176.3 | 179.5 | 167.8 | -71.9 | 0.3 | 111.5 | P723 A724 L725 F730 I731 D781 I784 S785 | P723-R727 WeakPolarHBondContact O-CB 3.36Å; P723-R727 PolarHBondContact O-N 3.37Å; A724-R727 WeakPolarHBondContact O-CB 3.37Å; A724-R727 PolarHBondContact O-N 2.87Å; L725-R727 VanDerWaalsContact C-N 3.29Å; L725-R727 PolarHBondContact O-N 3.45Å; R727-F730 PolarHBondContact O-N 2.96Å; R727-I731 HydrophobicContact CG-CD1 4.12Å; R727-I731 WeakPolarHBondContact O-CG1 3.47Å; R727-I731 PolarHBondContact O-N 2.97Å; R727-D781 IonicContact CZ-OD1 3.49Å; R727-D781 IonicContact NH1-OD1 3.83Å; R727-D781 PolarHBondContact NH1-OD1 3.03Å; R727-D781 PolarHBondContact NH2-O 2.79Å; R727-D781 IonicContact NH2-OD1 3.44Å; R727-D781 PolarHBondContact NH2-OD1 3.44Å; R727-I784 PolarHBondContact NH2-O 2.92Å; R727-S785 PolarHBondContact NE-O 3.39Å |
| 728 | E | 92.8 | Very high | 91.2 | Very high | 85 Ų | 85 | 48.6 Ų | 48.6 | 40% | 0.397 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.5 | -51.3 | 175.6 | -176.6 | -174.9 | 160.1 | 0 | 0 | 111.4 | A724 L725 F730 I731 R732 F777 | A724-E728 PolarHBondContact O-N 3.41Å; A724-E728 VanDerWaalsContact O-N 3.09Å; L725-E728 PolarHBondContact O-N 3.37Å; E728-F730 VanDerWaalsContact C-N 3.31Å; E728-F730 PolarHBondContact O-N 2.97Å; E728-I731 PolarHBondContact O-N 3.33Å; E728-R732 WeakPolarHBondContact O-CB 3.4Å; E728-R732 PolarHBondContact O-N 2.8Å; E728-F777 HydrophobicContact CB-CZ 4.49Å; E728-F777 HydrophobicContact CG-CE2 3.9Å; E728-F777 HydrophobicContact CG-CZ 3.86Å |
| 729 | L | 93.1 | Very high | 91.1 | Very high | 21 Ų | 21 | 49.6 Ų | 49.6 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.6 | -35.1 | 179.5 | -70.1 | 175.2 | 0 | 0 | 0 | 112.4 | P688 V697 L725 H733 | P688-L729 HydrophobicContact CB-CD1 4.3Å; V697-L729 HydrophobicContact CG1-CD1 3.64Å; V697-L729 HydrophobicContact CG2-CB 3.69Å; V697-L729 HydrophobicContact CG2-CD1 4.09Å; L725-L729 HydrophobicContact CD1-CG 4.44Å; L725-L729 HydrophobicContact CG-CD1 4.17Å; L725-L729 WeakPolarHBondContact O-CG 3.43Å; L725-L729 PolarHBondContact O-N 3.35Å; L729-H733 WeakPolarHBondContact O-CB 3.47Å; L729-H733 PolarHBondContact O-CD2 3.48Å; L729-H733 PolarHBondContact O-N 3.26Å |
| 730 | F | 93.8 | Very high | 91.3 | Very high | 45 Ų | 45 | 49.6 Ų | 49.6 | 20% | 0.197 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -62.3 | -48.1 | 172.2 | 172.9 | -112.3 | 0 | 0 | 0 | 111.4 | W690 C726 R727 E728 A734 L735 W740 | W690-F730 HydrophobicContact CE3-CB 4.4Å; W690-F730 HydrophobicContact CE3-CD2 4.31Å; W690-F730 AromaticContact CH2-CD2 3.38Å; W690-F730 HydrophobicContact CH2-CD2 3.38Å; W690-F730 AromaticContact CH2-CE2 3.84Å; W690-F730 HydrophobicContact CH2-CE2 3.84Å; W690-F730 HydrophobicContact CZ2-CD2 4.16Å; W690-F730 HydrophobicContact CZ2-CE2 4.48Å; W690-F730 HydrophobicContact CZ3-CB 4.12Å; W690-F730 AromaticContact CZ3-CD2 3.47Å; W690-F730 HydrophobicContact CZ3-CD2 3.47Å; W690-F730 VanDerWaalsContact CZ3-CD2 3.47Å; W690-F730 HydrophobicContact CZ3-CE2 4.36Å; W690-F730 HydrophobicContact CZ3-CG 4.27Å; C726-F730 WeakPolarHBondContact O-CB 3.49Å; C726-F730 PolarHBondContact O-N 3.06Å; R727-F730 PolarHBondContact O-N 2.96Å; E728-F730 VanDerWaalsContact C-N 3.31Å; E728-F730 PolarHBondContact O-N 2.97Å; F730-A734 HydrophobicContact CD2-CB 3.27Å; F730-A734 HydrophobicContact CE2-CB 3.44Å; F730-A734 VanDerWaalsContact CE2-CB 3.44Å; F730-A734 HydrophobicContact CG-CB 4.16Å; F730-A734 HydrophobicContact CZ-CB 4.42Å; F730-A734 VanDerWaalsContact O-CA 3.28Å; F730-A734 WeakPolarHBondContact O-CA 3.33Å; F730-A734 WeakPolarHBondContact O-CB 3.4Å; F730-A734 PolarHBondContact O-N 3.28Å; F730-L735 HydrophobicContact CD1-CD1 4.21Å; F730-L735 HydrophobicContact CD1-CG 4.49Å; F730-L735 HydrophobicContact CE1-CD1 3.71Å; F730-L735 HydrophobicContact CE1-CD2 4.34Å; F730-L735 HydrophobicContact CE1-CG 3.98Å; F730-L735 HydrophobicContact CZ-CD1 4.24Å; F730-L735 HydrophobicContact CZ-CD2 4.04Å; F730-L735 HydrophobicContact CZ-CG 4.06Å; F730-L735 PolarHBondContact O-N 2.99Å; F730-W740 HydrophobicContact CE2-CD2 4.03Å; F730-W740 AromaticContact CE2-CE2 3.83Å; F730-W740 HydrophobicContact CE2-CE3 4.41Å; F730-W740 HydrophobicContact CE2-CG 4.46Å; F730-W740 HydrophobicContact CE2-CH2 4.4Å; F730-W740 HydrophobicContact CE2-CZ2 4.05Å; F730-W740 HydrophobicContact CZ-CD2 4.36Å; F730-W740 HydrophobicContact CZ-CE3 4.34Å; F730-W740 AromaticContact CZ-CH2 3.88Å; F730-W740 HydrophobicContact CZ-CH2 3.88Å; F730-W740 AromaticContact CZ-CZ2 3.93Å; F730-W740 HydrophobicContact CZ-CZ2 3.93Å; F730-W740 HydrophobicContact CZ-CZ3 4.11Å |
| 731 | I | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -62.1 | -50.2 | 179.2 | -65.4 | 167.4 | 0 | 0 | 0 | 109.8 | R727 E728 L735 V736 F777 D781 I784 | R727-I731 HydrophobicContact CG-CD1 4.12Å; R727-I731 WeakPolarHBondContact O-CG1 3.47Å; R727-I731 PolarHBondContact O-N 2.97Å; E728-I731 PolarHBondContact O-N 3.33Å; I731-L735 HydrophobicContact CG1-CD1 4.31Å; I731-L735 WeakPolarHBondContact O-CB 3.42Å; I731-L735 PolarHBondContact O-N 2.85Å; I731-V736 HydrophobicContact CG2-CG2 4.27Å; I731-V736 WeakPolarHBondContact O-CG2 3.4Å; I731-V736 PolarHBondContact O-N 2.82Å; I731-F777 HydrophobicContact CB-CD2 3.97Å; I731-F777 HydrophobicContact CB-CE2 3.71Å; I731-F777 HydrophobicContact CB-CZ 4.4Å; I731-F777 HydrophobicContact CD1-CZ 4.47Å; I731-F777 HydrophobicContact CG2-CB 4.45Å; I731-F777 HydrophobicContact CG2-CD2 3.41Å; I731-F777 VanDerWaalsContact CG2-CD2 3.41Å; I731-F777 HydrophobicContact CG2-CE2 3.65Å; I731-F777 HydrophobicContact CG2-CG 3.95Å; I731-F777 HydrophobicContact CG2-CZ 4.34Å; I731-D781 HydrophobicContact CD1-CB 4.27Å; I731-I784 HydrophobicContact CD1-CD1 4.35Å; I731-I784 HydrophobicContact CG1-CD1 3.96Å |
| 732 | R | 94.4 | Very high | 91.3 | Very high | 68 Ų | 68 | 47.1 Ų | 47.1 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -64.5 | -53.1 | -176 | -167.3 | 172.3 | -71.3 | -84.9 | -1.2 | 112.5 | E728 V736 E737 E774 F777 | E728-R732 WeakPolarHBondContact O-CB 3.4Å; E728-R732 PolarHBondContact O-N 2.8Å; R732-V736 VanDerWaalsContact O-CB 3.32Å; R732-V736 WeakPolarHBondContact O-CB 3.25Å; R732-E737 WeakPolarHBondContact O-CG 3.3Å; R732-E737 PolarHBondContact O-N 3.31Å; R732-E774 IonicContact CZ-OE1 3.84Å; R732-E774 IonicContact NH1-OE1 3.23Å; R732-E774 PolarHBondContact NH1-OE1 2.75Å; R732-E774 IonicContact NH2-OE1 3.78Å; R732-E774 PolarHBondContact NH2-OE1 2.92Å; R732-E774 IonicContact NH2-OE2 3.93Å; R732-E774 PolarHBondContact NH2-OE2 3.33Å; R732-F777 HydrophobicContact CB-CD2 4.13Å; R732-F777 HydrophobicContact CB-CE2 4.26Å |
| 733 | H | 93 | Very high | 91.1 | Very high | 48 Ų | 48 | 55.8 Ų | 55.8 | 22% | 0.222 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -86.3 | -44.6 | -175.2 | -62.7 | -65.8 | 0 | 0 | 0 | 112.9 | W690 L729 E737 G738 D739 | W690-H733 HydrophobicContact CB-CB 3.53Å; W690-H733 VanDerWaalsContact CD1-CB 3.44Å; W690-H733 HydrophobicContact CD2-CB 4.45Å; W690-H733 HydrophobicContact CG-CB 3.52Å; L729-H733 WeakPolarHBondContact O-CB 3.47Å; L729-H733 PolarHBondContact O-CD2 3.48Å; L729-H733 PolarHBondContact O-N 3.26Å; H733-E737 IonicContact CE1-OE1 2.78Å; H733-E737 PolarHBondContact CE1-OE1 2.96Å; H733-E737 IonicContact CE1-OE2 2.68Å; H733-E737 IonicContact CG-OE2 3.06Å; H733-E737 IonicContact ND1-OE1 2.7Å; H733-E737 PolarHBondContact ND1-OE1 2.82Å; H733-E737 VanDerWaalsContact ND1-OE1 3.14Å; H733-E737 IonicContact ND1-OE2 3.86Å; H733-E737 PolarHBondContact ND1-OE2 2.81Å; H733-E737 WeakPolarHBondContact O-CB 3.42Å; H733-G738 PolarHBondContact O-N 2.95Å; H733-D739 WeakPolarHBondContact O-CB 3.28Å; H733-D739 PolarHBondContact O-N 2.81Å |
| 734 | A | 92 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -77.4 | -46.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | W690 F730 G738 W740 F747 | W690-A734 HydrophobicContact CD2-CB 4.18Å; W690-A734 HydrophobicContact CH2-CB 3.78Å; W690-A734 HydrophobicContact CZ2-CB 3.32Å; W690-A734 HydrophobicContact CZ3-CB 4.36Å; F730-A734 HydrophobicContact CD2-CB 3.27Å; F730-A734 HydrophobicContact CE2-CB 3.44Å; F730-A734 VanDerWaalsContact CE2-CB 3.44Å; F730-A734 HydrophobicContact CG-CB 4.16Å; F730-A734 HydrophobicContact CZ-CB 4.42Å; F730-A734 VanDerWaalsContact O-CA 3.28Å; F730-A734 WeakPolarHBondContact O-CA 3.33Å; F730-A734 WeakPolarHBondContact O-CB 3.4Å; F730-A734 PolarHBondContact O-N 3.28Å; A734-G738 CarbonylContact O-C 3.55Å; A734-G738 WeakPolarHBondContact O-CA 3.35Å; A734-W740 HydrophobicContact CB-CB 3.76Å; A734-W740 HydrophobicContact CB-CD2 4.47Å; A734-W740 HydrophobicContact CB-CG 3.98Å; A734-W740 WeakPolarHBondContact O-CB 3.5Å; A734-F747 VanDerWaalsContact O-CE2 3.32Å; A734-F747 WeakPolarHBondContact O-CE2 3.37Å; A734-F747 WeakPolarHBondContact O-CZ 3.28Å |
| 735 | L | 92.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -94.6 | -43.8 | -172.9 | -59.8 | 177.8 | 0 | 0 | 0 | 113.6 | F730 I731 W740 F746 F747 Y780 I784 | F730-L735 HydrophobicContact CD1-CD1 4.21Å; F730-L735 HydrophobicContact CD1-CG 4.49Å; F730-L735 HydrophobicContact CE1-CD1 3.71Å; F730-L735 HydrophobicContact CE1-CD2 4.34Å; F730-L735 HydrophobicContact CE1-CG 3.98Å; F730-L735 HydrophobicContact CZ-CD1 4.24Å; F730-L735 HydrophobicContact CZ-CD2 4.04Å; F730-L735 HydrophobicContact CZ-CG 4.06Å; F730-L735 PolarHBondContact O-N 2.99Å; I731-L735 HydrophobicContact CG1-CD1 4.31Å; I731-L735 WeakPolarHBondContact O-CB 3.42Å; I731-L735 PolarHBondContact O-N 2.85Å; L735-W740 HydrophobicContact CD2-CE3 3.63Å; L735-W740 HydrophobicContact CD2-CZ3 3.56Å; L735-F746 HydrophobicContact CD2-CE2 4.4Å; L735-F746 HydrophobicContact CD2-CZ 4.26Å; L735-F747 HydrophobicContact CD2-CD2 4.24Å; L735-F747 HydrophobicContact CD2-CE2 4.47Å; L735-Y780 HydrophobicContact CB-CD1 4.25Å; L735-Y780 HydrophobicContact CB-CD2 3.67Å; L735-Y780 HydrophobicContact CB-CE1 4.23Å; L735-Y780 HydrophobicContact CB-CE2 3.64Å; L735-Y780 HydrophobicContact CB-CG 3.98Å; L735-Y780 HydrophobicContact CD1-CD1 3.86Å; L735-Y780 HydrophobicContact CD1-CD2 4.43Å; L735-Y780 HydrophobicContact CD1-CE1 4.37Å; L735-Y780 HydrophobicContact CD1-CG 3.9Å; L735-Y780 WeakPolarHBondContact O-CE2 3.44Å; L735-I784 HydrophobicContact CD1-CD1 3.22Å |
| 736 | V | 91.7 | Very high | 91.4 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -81.1 | -55.4 | -179.6 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | I731 R732 G738 R754 D773 L776 F777 Y780 | I731-V736 HydrophobicContact CG2-CG2 4.27Å; I731-V736 WeakPolarHBondContact O-CG2 3.4Å; I731-V736 PolarHBondContact O-N 2.82Å; R732-V736 VanDerWaalsContact O-CB 3.32Å; R732-V736 WeakPolarHBondContact O-CB 3.25Å; V736-G738 PolarHBondContact O-N 2.9Å; V736-R754 PolarHBondContact O-NH1 3.22Å; V736-D773 HydrophobicContact CG1-CB 3.73Å; V736-L776 HydrophobicContact CG1-CB 3.99Å; V736-L776 HydrophobicContact CG1-CD1 4.29Å; V736-L776 HydrophobicContact CG2-CB 3.94Å; V736-F777 HydrophobicContact CG2-CB 4.13Å; V736-Y780 HydrophobicContact CG2-CD2 3.9Å; V736-Y780 HydrophobicContact CG2-CE2 4.27Å |
| 737 | E | 90 | Very high | 91.4 | Very high | 107 Ų | 107 | 57.1 Ų | 57.1 | 50% | 0.5 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -73.6 | -14.8 | 177.6 | -65.9 | 168.5 | -167.6 | 0 | 0 | 113 | R732 H733 D739 | R732-E737 WeakPolarHBondContact O-CG 3.3Å; R732-E737 PolarHBondContact O-N 3.31Å; H733-E737 IonicContact CE1-OE1 2.78Å; H733-E737 PolarHBondContact CE1-OE1 2.96Å; H733-E737 IonicContact CE1-OE2 2.68Å; H733-E737 IonicContact CG-OE2 3.06Å; H733-E737 IonicContact ND1-OE1 2.7Å; H733-E737 PolarHBondContact ND1-OE1 2.82Å; H733-E737 VanDerWaalsContact ND1-OE1 3.14Å; H733-E737 IonicContact ND1-OE2 3.86Å; H733-E737 PolarHBondContact ND1-OE2 2.81Å; H733-E737 WeakPolarHBondContact O-CB 3.42Å; E737-D739 VanDerWaalsContact C-N 3.32Å |
| 738 | G | 88.7 | Confident | 91.3 | Very high | 14 Ų | 14 | 62.8 Ų | 62.8 | 14% | 0.144 | 29% | 0.287 | C | S | . | . | trans | 78.2 | 15.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | H733 A734 V736 W740 | H733-G738 PolarHBondContact O-N 2.95Å; A734-G738 CarbonylContact O-C 3.55Å; A734-G738 WeakPolarHBondContact O-CA 3.35Å; V736-G738 PolarHBondContact O-N 2.9Å; G738-W740 PolarHBondContact O-N 2.9Å | ||
| 739 | D | 90.6 | Very high | 91.3 | Very high | 50 Ų | 50 | 65 Ų | 65 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | trans | -79.2 | 50.5 | 179.7 | -165 | 34.1 | 0 | 0 | 0 | 112.1 | W690 R692 H733 E737 | W690-D739 PolarHBondContact NE1-O 3.36Å; R692-D739 WeakPolarHBondContact CB-OD1 3.49Å; R692-D739 WeakPolarHBondContact CD-OD1 3.18Å; R692-D739 WeakPolarHBondContact CG-O 3.31Å; R692-D739 VanDerWaalsContact CG-OD1 3.31Å; R692-D739 WeakPolarHBondContact CG-OD1 3.34Å; R692-D739 IonicContact CZ-OD1 3.27Å; R692-D739 IonicContact NE-OD1 3.91Å; R692-D739 IonicContact NH1-OD1 2.75Å; R692-D739 PolarHBondContact NH1-OD1 3.14Å; H733-D739 WeakPolarHBondContact O-CB 3.28Å; H733-D739 PolarHBondContact O-N 2.81Å; E737-D739 VanDerWaalsContact C-N 3.32Å | ||
| 740 | W | 91.3 | Very high | 91.2 | Very high | 42 Ų | 42 | 66 Ų | 66 | 16% | 0.159 | 30% | 0.302 | C | S | . | . | trans | -134.3 | 123.2 | -177.6 | -168.1 | 31.9 | 0 | 0 | 0 | 112.2 | W690 F730 A734 L735 G738 T742 H744 F746 F747 | W690-W740 AromaticContact CZ2-CD1 3.78Å; W690-W740 HydrophobicContact CZ2-CG 4.35Å; F730-W740 HydrophobicContact CE2-CD2 4.03Å; F730-W740 AromaticContact CE2-CE2 3.83Å; F730-W740 HydrophobicContact CE2-CE3 4.41Å; F730-W740 HydrophobicContact CE2-CG 4.46Å; F730-W740 HydrophobicContact CE2-CH2 4.4Å; F730-W740 HydrophobicContact CE2-CZ2 4.05Å; F730-W740 HydrophobicContact CZ-CD2 4.36Å; F730-W740 HydrophobicContact CZ-CE3 4.34Å; F730-W740 AromaticContact CZ-CH2 3.88Å; F730-W740 HydrophobicContact CZ-CH2 3.88Å; F730-W740 AromaticContact CZ-CZ2 3.93Å; F730-W740 HydrophobicContact CZ-CZ2 3.93Å; F730-W740 HydrophobicContact CZ-CZ3 4.11Å; A734-W740 HydrophobicContact CB-CB 3.76Å; A734-W740 HydrophobicContact CB-CD2 4.47Å; A734-W740 HydrophobicContact CB-CG 3.98Å; A734-W740 WeakPolarHBondContact O-CB 3.5Å; L735-W740 HydrophobicContact CD2-CE3 3.63Å; L735-W740 HydrophobicContact CD2-CZ3 3.56Å; G738-W740 PolarHBondContact O-N 2.9Å; W740-T742 HydrophobicContact CD2-CG2 3.69Å; W740-T742 HydrophobicContact CE3-CG2 3.37Å; W740-T742 HydrophobicContact CG-CG2 4.38Å; W740-T742 HydrophobicContact CH2-CG2 4.12Å; W740-T742 HydrophobicContact CZ2-CG2 4.36Å; W740-T742 HydrophobicContact CZ3-CG2 3.61Å; W740-T742 PolarHBondContact O-N 3.44Å; W740-H744 AromaticContact CH2-CD2 3.39Å; W740-H744 WeakPolarHBondContact CH2-CD2 3.18Å; W740-H744 AromaticContact CH2-NE2 3.94Å; W740-F746 HydrophobicContact CZ3-CE1 4.49Å; W740-F746 AromaticContact CZ3-CZ 3.99Å; W740-F746 HydrophobicContact CZ3-CZ 3.99Å; W740-F747 HydrophobicContact CB-CE1 4.29Å; W740-F747 HydrophobicContact CB-CZ 3.95Å; W740-F747 HydrophobicContact CE3-CD1 4.48Å; W740-F747 HydrophobicContact CE3-CD2 4.06Å; W740-F747 HydrophobicContact CE3-CE2 4.25Å; W740-F747 HydrophobicContact CE3-CG 4.17Å; W740-F747 VanDerWaalsContact O-CE1 3.28Å; W740-F747 WeakPolarHBondContact O-CE1 3.35Å | ||
| 741 | Q | 85.8 | Confident | 91 | Very high | 160 Ų | 160 | 67 Ų | 67 | 75% | 0.748 | 31% | 0.309 | S | S | * | . | trans | -89.7 | 91.8 | 174.2 | -168 | 168.1 | 10.6 | 0 | 0 | 110.2 | ||||
| 742 | T | 88 | Confident | 90.9 | Very high | 33 Ų | 33 | 73.3 Ų | 73.3 | 20% | 0.202 | 34% | 0.337 | C | S | . | . | trans | -127 | 158.3 | 179.6 | -170.7 | 0 | 0 | 0 | 0 | 113.3 | W740 H744 F747 | W740-T742 HydrophobicContact CD2-CG2 3.69Å; W740-T742 HydrophobicContact CE3-CG2 3.37Å; W740-T742 HydrophobicContact CG-CG2 4.38Å; W740-T742 HydrophobicContact CH2-CG2 4.12Å; W740-T742 HydrophobicContact CZ2-CG2 4.36Å; W740-T742 HydrophobicContact CZ3-CG2 3.61Å; W740-T742 PolarHBondContact O-N 3.44Å; T742-H744 HydrophobicContact CG2-CB 4.27Å; T742-H744 PolarHBondContact OG1-CD2 3.42Å; T742-H744 PolarHBondContact OG1-N 3.01Å; T742-F747 HydrophobicContact CG2-CB 3.78Å; T742-F747 HydrophobicContact CG2-CD1 3.31Å; T742-F747 HydrophobicContact CG2-CE1 4.01Å; T742-F747 HydrophobicContact CG2-CG 3.68Å | ||
| 743 | R | 88.1 | Confident | 90.7 | Very high | 239 Ų | 239 | 74.9 Ų | 74.9 | 90% | 0.902 | 35% | 0.35 | S | S | * | . | trans | -97.1 | 1.9 | 173.1 | -64.7 | -177.4 | 179.5 | 173.2 | 0.5 | 112.9 | A745 | R743-A745 PolarHBondContact O-N 3.02Š| ||
| 744 | H | 90.9 | Very high | 90.5 | Very high | 98 Ų | 98 | 74.7 Ų | 74.7 | 45% | 0.454 | 35% | 0.347 | S | S | . | . | trans | -63.3 | 133.1 | -179.3 | -66.5 | -60.1 | 0 | 0 | 0 | 111.9 | W740 T742 F746 F747 | W740-H744 AromaticContact CH2-CD2 3.39Å; W740-H744 WeakPolarHBondContact CH2-CD2 3.18Å; W740-H744 AromaticContact CH2-NE2 3.94Å; T742-H744 HydrophobicContact CG2-CB 4.27Å; T742-H744 PolarHBondContact OG1-CD2 3.42Å; T742-H744 PolarHBondContact OG1-N 3.01Å; H744-F746 HydrophobicContact CB-CD1 3.62Å; H744-F746 HydrophobicContact CB-CE1 3.54Å; H744-F746 AromaticContact CG-CE1 3.89Å; H744-F747 HydrophobicContact CB-CB 4.46Å; H744-F747 PolarHBondContact O-N 3.31Å | ||
| 745 | A | 92.7 | Very high | 90.3 | Very high | 51 Ų | 51 | 77.3 Ų | 77.3 | 42% | 0.421 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.4 | -46.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R743 F747 R748 E749 | R743-A745 PolarHBondContact O-N 3.02Å; A745-F747 VanDerWaalsContact C-N 3.25Å; A745-F747 PolarHBondContact O-N 3.41Å; A745-R748 PolarHBondContact O-N 3.4Å; A745-R748 VanDerWaalsContact O-N 3.12Å; A745-E749 WeakPolarHBondContact O-CG 3.48Å; A745-E749 PolarHBondContact O-N 2.84Å |
| 746 | F | 92.9 | Very high | 90.2 | Very high | 84 Ų | 84 | 81.1 Ų | 81.1 | 37% | 0.368 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -54.9 | -41.4 | -179.1 | 86.3 | -93.2 | 0 | 0 | 0 | 112.2 | L735 W740 H744 R748 E749 N750 Y780 | L735-F746 HydrophobicContact CD2-CE2 4.4Å; L735-F746 HydrophobicContact CD2-CZ 4.26Å; W740-F746 HydrophobicContact CZ3-CE1 4.49Å; W740-F746 AromaticContact CZ3-CZ 3.99Å; W740-F746 HydrophobicContact CZ3-CZ 3.99Å; H744-F746 HydrophobicContact CB-CD1 3.62Å; H744-F746 HydrophobicContact CB-CE1 3.54Å; H744-F746 AromaticContact CG-CE1 3.89Å; F746-R748 PolarHBondContact O-N 3.33Å; F746-E749 PolarHBondContact O-N 2.93Å; F746-N750 WeakPolarHBondContact O-CB 3.43Å; F746-N750 PolarHBondContact O-N 3.43Å; F746-N750 PolarHBondContact O-OD1 2.78Å; F746-Y780 HydrophobicContact CE2-CE1 4.17Å |
| 747 | F | 91.4 | Very high | 90 | Very high | 7 Ų | 7 | 82.3 Ų | 82.3 | 3% | 0.031 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.3 | -40.6 | -176.9 | -178 | -108.8 | 0 | 0 | 0 | 111.3 | A734 L735 W740 T742 H744 A745 N750 L751 | A734-F747 VanDerWaalsContact O-CE2 3.32Å; A734-F747 WeakPolarHBondContact O-CE2 3.37Å; A734-F747 WeakPolarHBondContact O-CZ 3.28Å; L735-F747 HydrophobicContact CD2-CD2 4.24Å; L735-F747 HydrophobicContact CD2-CE2 4.47Å; W740-F747 HydrophobicContact CB-CE1 4.29Å; W740-F747 HydrophobicContact CB-CZ 3.95Å; W740-F747 HydrophobicContact CE3-CD1 4.48Å; W740-F747 HydrophobicContact CE3-CD2 4.06Å; W740-F747 HydrophobicContact CE3-CE2 4.25Å; W740-F747 HydrophobicContact CE3-CG 4.17Å; W740-F747 VanDerWaalsContact O-CE1 3.28Å; W740-F747 WeakPolarHBondContact O-CE1 3.35Å; T742-F747 HydrophobicContact CG2-CB 3.78Å; T742-F747 HydrophobicContact CG2-CD1 3.31Å; T742-F747 HydrophobicContact CG2-CE1 4.01Å; T742-F747 HydrophobicContact CG2-CG 3.68Å; H744-F747 HydrophobicContact CB-CB 4.46Å; H744-F747 PolarHBondContact O-N 3.31Å; A745-F747 VanDerWaalsContact C-N 3.25Å; A745-F747 PolarHBondContact O-N 3.41Å; F747-N750 PolarHBondContact O-N 2.95Å; F747-L751 HydrophobicContact CD1-CD1 3.99Å; F747-L751 HydrophobicContact CE1-CD1 3.48Å; F747-L751 VanDerWaalsContact CE1-CD1 3.48Å; F747-L751 HydrophobicContact CE1-CG 4.31Å; F747-L751 HydrophobicContact CE2-CD1 4.38Å; F747-L751 HydrophobicContact CE2-CG 4.41Å; F747-L751 HydrophobicContact CZ-CD1 3.72Å; F747-L751 HydrophobicContact CZ-CG 4.21Å; F747-L751 WeakPolarHBondContact O-CG 3.49Å; F747-L751 PolarHBondContact O-N 2.91Å |
| 748 | R | 90.3 | Very high | 89.7 | Confident | 159 Ų | 159 | 81.1 Ų | 81.1 | 60% | 0.6 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66 | -40.1 | 174.8 | -67 | -175.7 | -64.6 | 174 | 2.4 | 112 | A745 F746 K752 | A745-R748 PolarHBondContact O-N 3.4Å; A745-R748 VanDerWaalsContact O-N 3.12Å; F746-R748 PolarHBondContact O-N 3.33Å; R748-K752 WeakPolarHBondContact O-CB 3.49Å; R748-K752 PolarHBondContact O-N 2.85Å |
| 749 | E | 93 | Very high | 89.7 | Confident | 132 Ų | 132 | 85.4 Ų | 85.4 | 62% | 0.617 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.1 | -43.6 | 176.4 | -71.3 | 173 | 177.1 | 0 | 0 | 111.4 | A745 F746 K752 L753 | A745-E749 WeakPolarHBondContact O-CG 3.48Å; A745-E749 PolarHBondContact O-N 2.84Å; F746-E749 PolarHBondContact O-N 2.93Å; E749-K752 PolarHBondContact O-N 2.87Å; E749-L753 WeakPolarHBondContact O-CB 3.48Å; E749-L753 PolarHBondContact O-N 2.81Å |
| 750 | N | 90.7 | Very high | 89.5 | Confident | 41 Ų | 41 | 87.7 Ų | 87.7 | 22% | 0.219 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 176.5 | -72.2 | -0.2 | 0 | 0 | 0 | 112.1 | F746 F747 K752 L753 R754 Y780 | F746-N750 WeakPolarHBondContact O-CB 3.43Å; F746-N750 PolarHBondContact O-N 3.43Å; F746-N750 PolarHBondContact O-OD1 2.78Å; F747-N750 PolarHBondContact O-N 2.95Å; N750-K752 VanDerWaalsContact C-N 3.34Å; N750-K752 PolarHBondContact O-N 2.85Å; N750-L753 PolarHBondContact O-N 2.9Å; N750-R754 WeakPolarHBondContact O-CG 3.37Å; N750-R754 PolarHBondContact O-N 3.27Å; N750-Y780 PolarHBondContact ND2-OH 3.25Å |
| 751 | L | 88.7 | Confident | 89.1 | Confident | 66 Ų | 66 | 87.1 Ų | 87.1 | 35% | 0.346 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 176.3 | -74.2 | 178.7 | 0 | 0 | 0 | 112.1 | F747 R754 A755 | F747-L751 HydrophobicContact CD1-CD1 3.99Å; F747-L751 HydrophobicContact CE1-CD1 3.48Å; F747-L751 VanDerWaalsContact CE1-CD1 3.48Å; F747-L751 HydrophobicContact CE1-CG 4.31Å; F747-L751 HydrophobicContact CE2-CD1 4.38Å; F747-L751 HydrophobicContact CE2-CG 4.41Å; F747-L751 HydrophobicContact CZ-CD1 3.72Å; F747-L751 HydrophobicContact CZ-CG 4.21Å; F747-L751 WeakPolarHBondContact O-CG 3.49Å; F747-L751 PolarHBondContact O-N 2.91Å; L751-R754 PolarHBondContact O-N 3.23Å; L751-A755 PolarHBondContact O-N 2.76Å |
| 752 | K | 91.8 | Very high | 88.9 | Confident | 134 Ų | 134 | 86.9 Ų | 86.9 | 58% | 0.583 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.3 | -45.5 | 175.8 | -170 | -170.6 | 178.7 | -145 | 0 | 111.2 | R748 E749 N750 R754 A755 E756 | R748-K752 WeakPolarHBondContact O-CB 3.49Å; R748-K752 PolarHBondContact O-N 2.85Å; E749-K752 PolarHBondContact O-N 2.87Å; N750-K752 VanDerWaalsContact C-N 3.34Å; N750-K752 PolarHBondContact O-N 2.85Å; K752-R754 PolarHBondContact O-N 3.04Å; K752-A755 PolarHBondContact O-N 3.28Å; K752-E756 WeakPolarHBondContact CE-OE1 3.36Å; K752-E756 IonicContact NZ-OE1 3.77Å; K752-E756 PolarHBondContact NZ-OE1 2.65Å; K752-E756 WeakPolarHBondContact O-CG 2.96Å; K752-E756 PolarHBondContact O-N 3.2Å |
| 753 | L | 90.8 | Very high | 88.7 | Confident | 100 Ų | 100 | 92.2 Ų | 92.2 | 52% | 0.524 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 177.4 | -179.2 | 62.7 | 0 | 0 | 0 | 111.6 | E749 N750 A755 E756 V757 | E749-L753 WeakPolarHBondContact O-CB 3.48Å; E749-L753 PolarHBondContact O-N 2.81Å; N750-L753 PolarHBondContact O-N 2.9Å; L753-A755 PolarHBondContact O-N 3.14Å; L753-E756 PolarHBondContact O-N 3.16Å; L753-V757 HydrophobicContact CD1-CG2 4.39Å; L753-V757 VanDerWaalsContact O-CG2 3.25Å; L753-V757 WeakPolarHBondContact O-CG2 3.23Å; L753-V757 PolarHBondContact O-N 3.23Å |
| 754 | R | 87.9 | Confident | 88.5 | Confident | 45 Ų | 45 | 83.7 Ų | 83.7 | 17% | 0.17 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 175.3 | -74.3 | -176.4 | 72.4 | -169.4 | 14.5 | 112.2 | V736 N750 L751 K752 E756 V757 E758 L770 D773 | V736-R754 PolarHBondContact O-NH1 3.22Å; N750-R754 WeakPolarHBondContact O-CG 3.37Å; N750-R754 PolarHBondContact O-N 3.27Å; L751-R754 PolarHBondContact O-N 3.23Å; K752-R754 PolarHBondContact O-N 3.04Å; R754-E756 VanDerWaalsContact C-N 3.32Å; R754-E756 PolarHBondContact O-N 3.22Å; R754-V757 PolarHBondContact O-N 2.92Å; R754-E758 WeakPolarHBondContact O-CG 3.31Å; R754-E758 PolarHBondContact O-N 2.72Å; R754-L770 HydrophobicContact CG-CD1 4.33Å; R754-D773 IonicContact NH2-OD1 3.26Å; R754-D773 PolarHBondContact NH2-OD1 2.96Å |
| 755 | A | 88 | Confident | 87.8 | Confident | 54 Ų | 54 | 90.1 Ų | 90.1 | 45% | 0.446 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L751 K752 L753 E759 | L751-A755 PolarHBondContact O-N 2.76Å; K752-A755 PolarHBondContact O-N 3.28Å; L753-A755 PolarHBondContact O-N 3.14Å; A755-E759 WeakPolarHBondContact O-CB 3.46Å; A755-E759 PolarHBondContact O-N 2.82Å |
| 756 | E | 90.8 | Very high | 87 | Confident | 85 Ų | 85 | 96 Ų | 96 | 40% | 0.397 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 174.7 | -71.9 | 174.2 | -167.5 | 0 | 0 | 111.8 | K752 L753 R754 E759 L760 | K752-E756 WeakPolarHBondContact CE-OE1 3.36Å; K752-E756 IonicContact NZ-OE1 3.77Å; K752-E756 PolarHBondContact NZ-OE1 2.65Å; K752-E756 WeakPolarHBondContact O-CG 2.96Å; K752-E756 PolarHBondContact O-N 3.2Å; L753-E756 PolarHBondContact O-N 3.16Å; R754-E756 VanDerWaalsContact C-N 3.32Å; R754-E756 PolarHBondContact O-N 3.22Å; E756-E759 PolarHBondContact O-N 2.91Å; E756-L760 WeakPolarHBondContact O-CG 3.48Å; E756-L760 PolarHBondContact O-N 2.76Å; E756-L760 VanDerWaalsContact O-N 3.1Å |
| 757 | V | 87.1 | Confident | 85.9 | Confident | 27 Ų | 27 | 102.6 Ų | 102.6 | 16% | 0.164 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -69.3 | -43.5 | 177.7 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | L753 R754 E759 L760 E761 I769 L770 | L753-V757 HydrophobicContact CD1-CG2 4.39Å; L753-V757 VanDerWaalsContact O-CG2 3.25Å; L753-V757 WeakPolarHBondContact O-CG2 3.23Å; L753-V757 PolarHBondContact O-N 3.23Å; R754-V757 PolarHBondContact O-N 2.92Å; V757-E759 VanDerWaalsContact C-N 3.32Å; V757-E759 PolarHBondContact O-N 3.34Å; V757-L760 WeakPolarHBondContact O-CB 3.43Å; V757-L760 PolarHBondContact O-N 3.02Å; V757-L760 VanDerWaalsContact O-N 3.14Å; V757-E761 PolarHBondContact O-N 2.88Å; V757-I769 HydrophobicContact CG1-CB 4.28Å; V757-I769 HydrophobicContact CG1-CG2 3.88Å; V757-L770 HydrophobicContact CB-CD1 4.16Å; V757-L770 HydrophobicContact CG1-CB 3.88Å; V757-L770 HydrophobicContact CG1-CD1 3.83Å; V757-L770 HydrophobicContact CG1-CG 4.48Å |
| 758 | E | 85.2 | Confident | 85.1 | Confident | 83 Ų | 83 | 108.9 Ų | 108.9 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 173.9 | -76.6 | 176.9 | -172.4 | 0 | 0 | 111.4 | R754 L760 E761 H762 L770 | R754-E758 WeakPolarHBondContact O-CG 3.31Å; R754-E758 PolarHBondContact O-N 2.72Å; E758-L760 VanDerWaalsContact C-N 3.29Å; E758-L760 PolarHBondContact O-N 3.02Å; E758-E761 PolarHBondContact O-N 3.36Å; E758-H762 PolarHBondContact O-CD2 2.84Å; E758-H762 PolarHBondContact O-N 3.11Å; E758-L770 HydrophobicContact CG-CD2 3.83Å |
| 759 | E | 87.1 | Confident | 84.4 | Confident | 103 Ų | 103 | 105.1 Ų | 105.1 | 48% | 0.481 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.1 | -36.7 | 176.1 | -165 | -175.5 | 166.9 | 0 | 0 | 111.9 | A755 E756 V757 K763 | A755-E759 WeakPolarHBondContact O-CB 3.46Å; A755-E759 PolarHBondContact O-N 2.82Å; E756-E759 PolarHBondContact O-N 2.91Å; V757-E759 VanDerWaalsContact C-N 3.32Å; V757-E759 PolarHBondContact O-N 3.34Å; E759-K763 HydrophobicContact CG-CD 4.45Å; E759-K763 WeakPolarHBondContact O-CB 3.05Å; E759-K763 WeakPolarHBondContact O-CG 3.31Å; E759-K763 PolarHBondContact O-N 3.27Å; E759-K763 WeakPolarHBondContact OE1-CE 3.36Å; E759-K763 IonicContact OE1-NZ 2.63Å; E759-K763 PolarHBondContact OE1-NZ 3.42Å |
| 760 | L | 86.6 | Confident | 83.8 | Confident | 99 Ų | 99 | 100.9 Ų | 100.9 | 52% | 0.518 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.5 | -39.3 | 174.3 | -74.2 | 169.5 | 0 | 0 | 0 | 112.6 | E756 V757 E758 K763 S764 | E756-L760 WeakPolarHBondContact O-CG 3.48Å; E756-L760 PolarHBondContact O-N 2.76Å; E756-L760 VanDerWaalsContact O-N 3.1Å; V757-L760 WeakPolarHBondContact O-CB 3.43Å; V757-L760 PolarHBondContact O-N 3.02Å; V757-L760 VanDerWaalsContact O-N 3.14Å; E758-L760 VanDerWaalsContact C-N 3.29Å; E758-L760 PolarHBondContact O-N 3.02Å; L760-K763 PolarHBondContact O-N 3.39Å; L760-S764 WeakPolarHBondContact O-CB 3.38Å; L760-S764 PolarHBondContact O-N 2.68Å; L760-S764 PolarHBondContact O-OG 3.2Å |
| 761 | E | 83.6 | Confident | 83.5 | Confident | 30 Ų | 30 | 102.4 Ų | 102.4 | 14% | 0.14 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 173.3 | -73.4 | -159.5 | 147.1 | 0 | 0 | 111.6 | V757 E758 K763 S764 R765 R766 D768 I769 L770 | V757-E761 PolarHBondContact O-N 2.88Å; E758-E761 PolarHBondContact O-N 3.36Å; E761-K763 VanDerWaalsContact C-N 3.33Å; E761-K763 PolarHBondContact O-N 2.83Å; E761-S764 PolarHBondContact O-N 2.97Å; E761-S764 PolarHBondContact O-OG 3.1Å; E761-R765 WeakPolarHBondContact O-CA 3.39Å; E761-R765 PolarHBondContact O-N 3.11Å; E761-R766 VanDerWaalsContact CA-O 3.32Å; E761-R766 WeakPolarHBondContact CA-O 3Å; E761-R766 VanDerWaalsContact CB-O 3.23Å; E761-R766 WeakPolarHBondContact CB-O 3.34Å; E761-R766 WeakPolarHBondContact CG-O 3.41Å; E761-D768 PolarHBondContact OE1-N 3.3Å; E761-D768 VanDerWaalsContact OE1-N 3.16Å; E761-I769 HydrophobicContact CG-CB 3.69Å; E761-I769 HydrophobicContact CG-CD1 4.13Å; E761-I769 HydrophobicContact CG-CG1 3.98Å; E761-I769 WeakPolarHBondContact OE1-CA 3.31Å; E761-I769 PolarHBondContact OE1-N 2.98Å; E761-L770 PolarHBondContact OE1-N 2.98Å |
| 762 | H | 82 | Confident | 83.5 | Confident | 155 Ų | 155 | 103.7 Ų | 103.7 | 72% | 0.718 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.7 | -40.9 | 177.2 | -77.7 | -60.9 | 0 | 0 | 0 | 112.5 | E758 | E758-H762 PolarHBondContact O-CD2 2.84Å; E758-H762 PolarHBondContact O-N 3.11Å |
| 763 | K | 83.1 | Confident | 83.3 | Confident | 144 Ų | 144 | 101.2 Ų | 101.2 | 63% | 0.626 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -71.5 | -40.2 | 177.4 | -75.2 | 175.6 | -175.3 | 166.5 | 0 | 113 | E759 L760 E761 | E759-K763 HydrophobicContact CG-CD 4.45Å; E759-K763 WeakPolarHBondContact O-CB 3.05Å; E759-K763 WeakPolarHBondContact O-CG 3.31Å; E759-K763 PolarHBondContact O-N 3.27Å; E759-K763 WeakPolarHBondContact OE1-CE 3.36Å; E759-K763 IonicContact OE1-NZ 2.63Å; E759-K763 PolarHBondContact OE1-NZ 3.42Å; L760-K763 PolarHBondContact O-N 3.39Å; E761-K763 VanDerWaalsContact C-N 3.33Å; E761-K763 PolarHBondContact O-N 2.83Å |
| 764 | S | 82.9 | Confident | 83.3 | Confident | 60 Ų | 60 | 100.5 Ų | 100.5 | 42% | 0.42 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -83.1 | -15.7 | -176.8 | 66.2 | 0 | 0 | 0 | 0 | 113.9 | L760 E761 R766 | L760-S764 WeakPolarHBondContact O-CB 3.38Å; L760-S764 PolarHBondContact O-N 2.68Å; L760-S764 PolarHBondContact O-OG 3.2Å; E761-S764 PolarHBondContact O-N 2.97Å; E761-S764 PolarHBondContact O-OG 3.1Å; S764-R766 PolarHBondContact O-N 3.3Å; S764-R766 PolarHBondContact OG-N 3.35Å |
| 765 | R | 77.1 | Confident | 83.4 | Confident | 234 Ų | 234 | 101.5 Ų | 101.5 | 88% | 0.883 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 24.5 | -170.5 | -55.9 | -179.1 | 178.6 | -174.1 | -0.7 | 113.5 | E761 | E761-R765 WeakPolarHBondContact O-CA 3.39Å; E761-R765 PolarHBondContact O-N 3.11Å |
| 766 | R | 76.5 | Confident | 83.5 | Confident | 174 Ų | 174 | 100 Ų | 100 | 66% | 0.657 | 47% | 0.471 | S | S | * | . | trans | -103.3 | 135.4 | 166 | -82.8 | -176.6 | 171.9 | 178.6 | -3.5 | 108.7 | E761 S764 I769 | E761-R766 VanDerWaalsContact CA-O 3.32Å; E761-R766 WeakPolarHBondContact CA-O 3Å; E761-R766 VanDerWaalsContact CB-O 3.23Å; E761-R766 WeakPolarHBondContact CB-O 3.34Å; E761-R766 WeakPolarHBondContact CG-O 3.41Å; S764-R766 PolarHBondContact O-N 3.3Å; S764-R766 PolarHBondContact OG-N 3.35Å; R766-I769 HydrophobicContact CB-CD1 4.49Å; R766-I769 HydrophobicContact CB-CG1 4.43Å | ||
| 767 | R | 69.2 | Low | 83.7 | Confident | 223 Ų | 223 | 97.1 Ų | 97.1 | 84% | 0.842 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -102.4 | 18.6 | -179.4 | -68.6 | -177.2 | 171 | -175.3 | -4 | 112.7 | ||
| 768 | D | 73.7 | Confident | 83.9 | Confident | 138 Ų | 138 | 100.9 Ų | 100.9 | 74% | 0.738 | 47% | 0.474 | S | S | * | . | trans | -121.6 | 16.3 | -166.5 | -32.5 | -30.9 | 0 | 0 | 0 | 111.7 | E761 | E761-D768 PolarHBondContact OE1-N 3.3Å; E761-D768 VanDerWaalsContact OE1-N 3.16Å | ||
| 769 | I | 77.5 | Confident | 84.3 | Confident | 81 Ų | 81 | 100.7 Ų | 100.7 | 42% | 0.415 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -96.1 | -40.1 | -179.1 | -48.2 | 179.8 | 0 | 0 | 0 | 110.2 | V757 E761 R766 | V757-I769 HydrophobicContact CG1-CB 4.28Å; V757-I769 HydrophobicContact CG1-CG2 3.88Å; E761-I769 HydrophobicContact CG-CB 3.69Å; E761-I769 HydrophobicContact CG-CD1 4.13Å; E761-I769 HydrophobicContact CG-CG1 3.98Å; E761-I769 WeakPolarHBondContact OE1-CA 3.31Å; E761-I769 PolarHBondContact OE1-N 2.98Å; R766-I769 HydrophobicContact CB-CD1 4.49Å; R766-I769 HydrophobicContact CB-CG1 4.43Å |
| 770 | L | 79.3 | Confident | 84.6 | Confident | 43 Ų | 43 | 96.6 Ų | 96.6 | 23% | 0.225 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -78.3 | 125.4 | 173.4 | -171.1 | 68.3 | 0 | 0 | 0 | 109 | R754 V757 E758 E761 | R754-L770 HydrophobicContact CG-CD1 4.33Å; V757-L770 HydrophobicContact CB-CD1 4.16Å; V757-L770 HydrophobicContact CG1-CB 3.88Å; V757-L770 HydrophobicContact CG1-CD1 3.83Å; V757-L770 HydrophobicContact CG1-CG 4.48Å; E758-L770 HydrophobicContact CG-CD2 3.83Å; E761-L770 PolarHBondContact OE1-N 2.98Å |
| 771 | V | 85.1 | Confident | 84.9 | Confident | 73 Ų | 73 | 94.3 Ų | 94.3 | 44% | 0.442 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 150.4 | 171.8 | -69.3 | 0 | 0 | 0 | 0 | 110.6 | T775 L776 | V771-T775 HydrophobicContact CB-CG2 4.06Å; V771-T775 HydrophobicContact CG1-CG2 4.21Å; V771-L776 HydrophobicContact CG2-CD2 3.58Å; V771-L776 HydrophobicContact CG2-CG 3.81Å |
| 772 | D | 87.2 | Confident | 85.3 | Confident | 93 Ų | 93 | 99.8 Ų | 99.8 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 165.5 | 178.8 | 68.4 | -6.9 | 0 | 0 | 0 | 112.6 | E774 T775 L776 | D772-E774 VanDerWaalsContact C-N 3.25Å; D772-E774 PolarHBondContact O-N 3.03Å; D772-T775 PolarHBondContact O-N 3.05Å; D772-T775 WeakPolarHBondContact OD1-CB 3.33Å; D772-T775 PolarHBondContact OD1-N 2.79Å; D772-T775 PolarHBondContact OD1-OG1 3.19Å; D772-L776 PolarHBondContact O-N 3.06Å; D772-L776 VanDerWaalsContact O-N 3.08Å |
| 773 | D | 88.3 | Confident | 85.7 | Confident | 81 Ų | 81 | 99.9 Ų | 99.9 | 43% | 0.433 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.5 | -29 | -176.2 | -73.2 | -19.6 | 0 | 0 | 0 | 112.6 | V736 R754 L776 F777 | V736-D773 HydrophobicContact CG1-CB 3.73Å; R754-D773 IonicContact NH2-OD1 3.26Å; R754-D773 PolarHBondContact NH2-OD1 2.96Å; D773-L776 PolarHBondContact O-N 3.2Å; D773-F777 WeakPolarHBondContact O-CB 3.16Å; D773-F777 PolarHBondContact O-N 3.27Å |
| 774 | E | 90.8 | Very high | 85.9 | Confident | 86 Ų | 86 | 95.5 Ų | 95.5 | 40% | 0.402 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -70.1 | -41.7 | 174.8 | -68.6 | -59 | 142.9 | 0 | 0 | 111.7 | R732 D772 L776 F777 E778 | R732-E774 IonicContact CZ-OE1 3.84Å; R732-E774 IonicContact NH1-OE1 3.23Å; R732-E774 PolarHBondContact NH1-OE1 2.75Å; R732-E774 IonicContact NH2-OE1 3.78Å; R732-E774 PolarHBondContact NH2-OE1 2.92Å; R732-E774 IonicContact NH2-OE2 3.93Å; R732-E774 PolarHBondContact NH2-OE2 3.33Å; D772-E774 VanDerWaalsContact C-N 3.25Å; D772-E774 PolarHBondContact O-N 3.03Å; E774-L776 VanDerWaalsContact C-N 3.29Å; E774-L776 PolarHBondContact O-N 3.03Å; E774-F777 WeakPolarHBondContact O-CB 3.45Å; E774-F777 PolarHBondContact O-N 3.48Å; E774-F777 VanDerWaalsContact O-N 3.16Å; E774-E778 WeakPolarHBondContact O-CG 3.42Å; E774-E778 PolarHBondContact O-N 3.3Å |
| 775 | T | 91.2 | Very high | 85.8 | Confident | 65 Ų | 65 | 96.1 Ų | 96.1 | 40% | 0.399 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 173.3 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | V771 D772 F779 | V771-T775 HydrophobicContact CB-CG2 4.06Å; V771-T775 HydrophobicContact CG1-CG2 4.21Å; D772-T775 PolarHBondContact O-N 3.05Å; D772-T775 WeakPolarHBondContact OD1-CB 3.33Å; D772-T775 PolarHBondContact OD1-N 2.79Å; D772-T775 PolarHBondContact OD1-OG1 3.19Å; T775-F779 WeakPolarHBondContact O-CB 3.28Å; T775-F779 PolarHBondContact O-N 3.43Å |
| 776 | L | 90.1 | Very high | 85.8 | Confident | 22 Ų | 22 | 92.3 Ų | 92.3 | 12% | 0.115 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 174.1 | -69.2 | 176.1 | 0 | 0 | 0 | 112 | V736 V771 D772 D773 E774 F779 Y780 | V736-L776 HydrophobicContact CG1-CB 3.99Å; V736-L776 HydrophobicContact CG1-CD1 4.29Å; V736-L776 HydrophobicContact CG2-CB 3.94Å; V771-L776 HydrophobicContact CG2-CD2 3.58Å; V771-L776 HydrophobicContact CG2-CG 3.81Å; D772-L776 PolarHBondContact O-N 3.06Å; D772-L776 VanDerWaalsContact O-N 3.08Å; D773-L776 PolarHBondContact O-N 3.2Å; E774-L776 VanDerWaalsContact C-N 3.29Å; E774-L776 PolarHBondContact O-N 3.03Å; L776-F779 WeakPolarHBondContact O-CB 3.5Å; L776-F779 PolarHBondContact O-N 3.28Å; L776-Y780 WeakPolarHBondContact O-CD2 3.26Å; L776-Y780 PolarHBondContact O-N 3.37Å; L776-Y780 VanDerWaalsContact O-N 3.15Å |
| 777 | F | 93.5 | Very high | 85.4 | Confident | 25 Ų | 25 | 94.2 Ų | 94.2 | 11% | 0.11 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -59.4 | -53.3 | 174.8 | -179.4 | -82.3 | 0 | 0 | 0 | 110.3 | E728 I731 R732 V736 D773 E774 F779 Y780 D781 | E728-F777 HydrophobicContact CB-CZ 4.49Å; E728-F777 HydrophobicContact CG-CE2 3.9Å; E728-F777 HydrophobicContact CG-CZ 3.86Å; I731-F777 HydrophobicContact CB-CD2 3.97Å; I731-F777 HydrophobicContact CB-CE2 3.71Å; I731-F777 HydrophobicContact CB-CZ 4.4Å; I731-F777 HydrophobicContact CD1-CZ 4.47Å; I731-F777 HydrophobicContact CG2-CB 4.45Å; I731-F777 HydrophobicContact CG2-CD2 3.41Å; I731-F777 VanDerWaalsContact CG2-CD2 3.41Å; I731-F777 HydrophobicContact CG2-CE2 3.65Å; I731-F777 HydrophobicContact CG2-CG 3.95Å; I731-F777 HydrophobicContact CG2-CZ 4.34Å; R732-F777 HydrophobicContact CB-CD2 4.13Å; R732-F777 HydrophobicContact CB-CE2 4.26Å; V736-F777 HydrophobicContact CG2-CB 4.13Å; D773-F777 WeakPolarHBondContact O-CB 3.16Å; D773-F777 PolarHBondContact O-N 3.27Å; E774-F777 WeakPolarHBondContact O-CB 3.45Å; E774-F777 PolarHBondContact O-N 3.48Å; E774-F777 VanDerWaalsContact O-N 3.16Å; F777-F779 VanDerWaalsContact C-N 3.27Å; F777-F779 PolarHBondContact O-N 3.43Å; F777-Y780 PolarHBondContact O-N 2.95Å; F777-Y780 VanDerWaalsContact O-N 3.15Å; F777-D781 HydrophobicContact CD1-CB 4.3Å; F777-D781 HydrophobicContact CE1-CB 4.08Å; F777-D781 VanDerWaalsContact O-CB 3.28Å; F777-D781 WeakPolarHBondContact O-CB 3.33Å; F777-D781 PolarHBondContact O-N 2.87Å |
| 778 | E | 92.8 | Very high | 86.2 | Confident | 107 Ų | 107 | 87.8 Ų | 87.8 | 50% | 0.5 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.6 | -38.7 | 177.8 | -71.1 | -176.6 | 178.4 | 0 | 0 | 112.2 | E774 Y780 D781 Q782 | E774-E778 WeakPolarHBondContact O-CG 3.42Å; E774-E778 PolarHBondContact O-N 3.3Å; E778-Y780 VanDerWaalsContact C-N 3.34Å; E778-Y780 PolarHBondContact O-N 2.82Å; E778-D781 PolarHBondContact O-N 3.33Å; E778-Q782 VanDerWaalsContact O-CG 3.28Å; E778-Q782 WeakPolarHBondContact O-CG 3.29Å; E778-Q782 PolarHBondContact O-N 2.77Å |
| 779 | F | 92.8 | Very high | 86.8 | Confident | 79 Ų | 79 | 85.2 Ų | 85.2 | 35% | 0.346 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.3 | -45.2 | 176.9 | 168.9 | -92.3 | 0 | 0 | 0 | 112.3 | T775 L776 F777 R783 | T775-F779 WeakPolarHBondContact O-CB 3.28Å; T775-F779 PolarHBondContact O-N 3.43Å; L776-F779 WeakPolarHBondContact O-CB 3.5Å; L776-F779 PolarHBondContact O-N 3.28Å; F777-F779 VanDerWaalsContact C-N 3.27Å; F777-F779 PolarHBondContact O-N 3.43Å; F779-R783 WeakPolarHBondContact O-CD 3.4Å; F779-R783 PolarHBondContact O-NH1 3.36Å |
| 780 | Y | 92.8 | Very high | 87.4 | Confident | 17 Ų | 17 | 85.4 Ų | 85.4 | 7% | 0.067 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -74.3 | -41.1 | 176.6 | -75.1 | -59.6 | 0 | 0 | 0 | 111.8 | L735 V736 F746 N750 L776 F777 E778 Q782 R783 I784 | L735-Y780 HydrophobicContact CB-CD1 4.25Å; L735-Y780 HydrophobicContact CB-CD2 3.67Å; L735-Y780 HydrophobicContact CB-CE1 4.23Å; L735-Y780 HydrophobicContact CB-CE2 3.64Å; L735-Y780 HydrophobicContact CB-CG 3.98Å; L735-Y780 HydrophobicContact CD1-CD1 3.86Å; L735-Y780 HydrophobicContact CD1-CD2 4.43Å; L735-Y780 HydrophobicContact CD1-CE1 4.37Å; L735-Y780 HydrophobicContact CD1-CG 3.9Å; L735-Y780 WeakPolarHBondContact O-CE2 3.44Å; V736-Y780 HydrophobicContact CG2-CD2 3.9Å; V736-Y780 HydrophobicContact CG2-CE2 4.27Å; F746-Y780 HydrophobicContact CE2-CE1 4.17Å; N750-Y780 PolarHBondContact ND2-OH 3.25Å; L776-Y780 WeakPolarHBondContact O-CD2 3.26Å; L776-Y780 PolarHBondContact O-N 3.37Å; L776-Y780 VanDerWaalsContact O-N 3.15Å; F777-Y780 PolarHBondContact O-N 2.95Å; F777-Y780 VanDerWaalsContact O-N 3.15Å; E778-Y780 VanDerWaalsContact C-N 3.34Å; E778-Y780 PolarHBondContact O-N 2.82Å; Y780-Q782 VanDerWaalsContact C-N 3.31Å; Y780-Q782 PolarHBondContact O-N 3.49Å; Y780-R783 PolarHBondContact O-N 3.46Å; Y780-I784 WeakPolarHBondContact O-CG1 3.31Å; Y780-I784 PolarHBondContact O-N 2.88Å |
| 781 | D | 92.2 | Very high | 87.8 | Confident | 51 Ų | 51 | 87.9 Ų | 87.9 | 27% | 0.273 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -56.3 | -43.3 | -179.6 | -174 | 48 | 0 | 0 | 0 | 112.2 | R727 I731 F777 E778 R783 | R727-D781 IonicContact CZ-OD1 3.49Å; R727-D781 IonicContact NH1-OD1 3.83Å; R727-D781 PolarHBondContact NH1-OD1 3.03Å; R727-D781 PolarHBondContact NH2-O 2.79Å; R727-D781 IonicContact NH2-OD1 3.44Å; R727-D781 PolarHBondContact NH2-OD1 3.44Å; I731-D781 HydrophobicContact CD1-CB 4.27Å; F777-D781 HydrophobicContact CD1-CB 4.3Å; F777-D781 HydrophobicContact CE1-CB 4.08Å; F777-D781 VanDerWaalsContact O-CB 3.28Å; F777-D781 WeakPolarHBondContact O-CB 3.33Å; F777-D781 PolarHBondContact O-N 2.87Å; E778-D781 PolarHBondContact O-N 3.33Å; D781-R783 PolarHBondContact O-N 2.94Å |
| 782 | Q | 92.7 | Very high | 88 | Confident | 145 Ų | 145 | 88.8 Ų | 88.8 | 68% | 0.678 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -18.2 | 177.6 | -69.7 | 171.6 | 12.1 | 0 | 0 | 114.3 | E778 Y780 | E778-Q782 VanDerWaalsContact O-CG 3.28Å; E778-Q782 WeakPolarHBondContact O-CG 3.29Å; E778-Q782 PolarHBondContact O-N 2.77Å; Y780-Q782 VanDerWaalsContact C-N 3.31Å; Y780-Q782 PolarHBondContact O-N 3.49Å |
| 783 | R | 91.7 | Very high | 88.1 | Confident | 156 Ų | 156 | 88.5 Ų | 88.5 | 59% | 0.589 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -18.6 | -172.9 | -74 | 171.9 | 177 | 67.4 | 4.9 | 113.5 | F779 Y780 D781 | F779-R783 WeakPolarHBondContact O-CD 3.4Å; F779-R783 PolarHBondContact O-NH1 3.36Å; Y780-R783 PolarHBondContact O-N 3.46Å; D781-R783 PolarHBondContact O-N 2.94Å |
| 784 | I | 86 | Confident | 88 | Confident | 53 Ų | 53 | 89.1 Ų | 89.1 | 27% | 0.272 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -98.6 | 121.7 | 179.3 | -62.3 | 164.5 | 0 | 0 | 0 | 107.7 | R727 I731 L735 Y780 | R727-I784 PolarHBondContact NH2-O 2.92Å; I731-I784 HydrophobicContact CD1-CD1 4.35Å; I731-I784 HydrophobicContact CG1-CD1 3.96Å; L735-I784 HydrophobicContact CD1-CD1 3.22Å; Y780-I784 WeakPolarHBondContact O-CG1 3.31Å; Y780-I784 PolarHBondContact O-N 2.88Å |
| 785 | S | 80.8 | Confident | 87.8 | Confident | 72 Ų | 72 | 89.3 Ų | 89.3 | 50% | 0.503 | 44% | 0.44 | S | S | . | . | trans | -52.8 | 154.5 | 175.8 | -166.4 | 0 | 0 | 0 | 0 | 111.5 | R727 D787 | R727-S785 PolarHBondContact NE-O 3.39Å; S785-D787 VanDerWaalsContact C-N 3.25Å; S785-D787 PolarHBondContact OG-N 2.94Å | ||
| 786 | H | 76.8 | Confident | 87.6 | Confident | 154 Ų | 154 | 91.3 Ų | 91.3 | 71% | 0.713 | 44% | 0.443 | S | S | * | . | trans | -77.6 | -13.7 | 170.7 | -67.8 | -60.9 | 0 | 0 | 0 | 113 | ||||
| 787 | D | 68.4 | Low | 87.3 | Confident | 215 Ų | 215 | 97.6 Ų | 97.6 | 100% | 1.15 | 47% | 0.473 | S | S | * | . | trans | -77.7 | 0 | -179.7 | -61.8 | -33.6 | 0 | 0 | 0 | 114.3 | S785 | S785-D787 VanDerWaalsContact C-N 3.25Å; S785-D787 PolarHBondContact OG-N 2.94Å |
Retrieved 787 of 787 residues in 473.7 ms
(Link to these results)